----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:59:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.322330000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.360964400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.156985150000000 Atomic positions (fractional): *1 Dy 0.94465754453372 0.75000000000000 0.01359890754892 162.500 2 Dy 0.44465754453372 0.75000000000000 0.48640109245108 162.500 3 Dy 0.55534245546628 0.25000000000000 0.51359890754892 162.500 4 Dy 0.05534245546628 0.25000000000000 0.98640109245108 162.500 *5 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 6 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 7 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 *9 O 0.47747186638364 0.25000000000000 0.08683003516678 15.999 *10 O 0.20586884127543 0.54582302697861 0.20550460972687 15.999 11 O 0.20586884127543 0.95417697302139 0.20550460972687 15.999 12 O 0.70586884127543 0.54582302697861 0.29449539027313 15.999 13 O 0.70586884127543 0.95417697302139 0.29449539027313 15.999 14 O 0.97747186638364 0.25000000000000 0.41316996483322 15.999 15 O 0.02252813361636 0.75000000000000 0.58683003516678 15.999 16 O 0.29413115872457 0.04582302697861 0.70550460972687 15.999 17 O 0.29413115872457 0.45417697302139 0.70550460972687 15.999 18 O 0.79413115872457 0.04582302697861 0.79449539027313 15.999 19 O 0.79413115872457 0.45417697302139 0.79449539027313 15.999 20 O 0.52252813361636 0.75000000000000 0.91316996483322 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.322330000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.360964400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.156985150000000 Atomic positions (fractional): *1 Dy 0.94465754453372 0.75000000000000 0.01359890754892 162.500 > 1 2 Dy 0.44465754453372 0.75000000000000 0.48640109245108 162.500 > 2 3 Dy 0.55534245546628 0.25000000000000 0.51359890754892 162.500 > 3 4 Dy 0.05534245546628 0.25000000000000 0.98640109245108 162.500 > 4 *5 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 5 6 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 6 7 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 7 8 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 8 *9 O 0.47747186638364 0.25000000000000 0.08683003516678 15.999 > 9 *10 O 0.20586884127543 0.54582302697861 0.20550460972687 15.999 > 10 11 O 0.20586884127543 0.95417697302139 0.20550460972687 15.999 > 11 12 O 0.70586884127543 0.54582302697861 0.29449539027313 15.999 > 12 13 O 0.70586884127543 0.95417697302139 0.29449539027313 15.999 > 13 14 O 0.97747186638364 0.25000000000000 0.41316996483322 15.999 > 14 15 O 0.02252813361636 0.75000000000000 0.58683003516678 15.999 > 15 16 O 0.29413115872457 0.04582302697861 0.70550460972687 15.999 > 16 17 O 0.29413115872457 0.45417697302139 0.70550460972687 15.999 > 17 18 O 0.79413115872457 0.04582302697861 0.79449539027313 15.999 > 18 19 O 0.79413115872457 0.45417697302139 0.79449539027313 15.999 > 19 20 O 0.52252813361636 0.75000000000000 0.91316996483322 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.644660000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.360964400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.313970299999999 Atomic positions (fractional): *1 Dy 0.47232877226686 0.75000000000000 0.00679945377446 162.500 > 1 2 Dy 0.97232877226686 0.75000000000000 0.00679945377446 162.500 > 1 3 Dy 0.47232877226686 0.75000000000000 0.50679945377446 162.500 > 1 4 Dy 0.97232877226686 0.75000000000000 0.50679945377446 162.500 > 1 5 Dy 0.22232877226686 0.75000000000000 0.24320054622554 162.500 > 2 6 Dy 0.72232877226686 0.75000000000000 0.24320054622554 162.500 > 2 7 Dy 0.22232877226686 0.75000000000000 0.74320054622554 162.500 > 2 8 Dy 0.72232877226686 0.75000000000000 0.74320054622554 162.500 > 2 9 Dy 0.27767122773314 0.25000000000000 0.25679945377446 162.500 > 3 10 Dy 0.77767122773314 0.25000000000000 0.25679945377446 162.500 > 3 11 Dy 0.27767122773314 0.25000000000000 0.75679945377446 162.500 > 3 12 Dy 0.77767122773314 0.25000000000000 0.75679945377446 162.500 > 3 13 Dy 0.02767122773314 0.25000000000000 0.49320054622554 162.500 > 4 14 Dy 0.52767122773314 0.25000000000000 0.49320054622554 162.500 > 4 15 Dy 0.02767122773314 0.25000000000000 0.99320054622554 162.500 > 4 16 Dy 0.52767122773314 0.25000000000000 0.99320054622554 162.500 > 4 *17 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 5 18 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 5 19 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 5 20 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 5 21 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 6 22 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 6 23 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 6 24 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 6 25 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 7 26 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 7 27 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 7 28 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 7 29 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 8 30 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 8 31 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 8 32 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 8 *33 O 0.23873593319182 0.25000000000000 0.04341501758339 15.999 > 9 34 O 0.73873593319182 0.25000000000000 0.04341501758339 15.999 > 9 35 O 0.23873593319182 0.25000000000000 0.54341501758339 15.999 > 9 36 O 0.73873593319182 0.25000000000000 0.54341501758339 15.999 > 9 *37 O 0.10293442063772 0.54582302697861 0.10275230486343 15.999 > 10 38 O 0.60293442063771 0.54582302697861 0.10275230486343 15.999 > 10 39 O 0.10293442063772 0.54582302697861 0.60275230486343 15.999 > 10 40 O 0.60293442063771 0.54582302697861 0.60275230486343 15.999 > 10 41 O 0.10293442063772 0.95417697302139 0.10275230486343 15.999 > 11 42 O 0.60293442063771 0.95417697302139 0.10275230486343 15.999 > 11 43 O 0.10293442063772 0.95417697302139 0.60275230486343 15.999 > 11 44 O 0.60293442063771 0.95417697302139 0.60275230486343 15.999 > 11 45 O 0.35293442063772 0.54582302697861 0.14724769513657 15.999 > 12 46 O 0.85293442063771 0.54582302697861 0.14724769513657 15.999 > 12 47 O 0.35293442063772 0.54582302697861 0.64724769513657 15.999 > 12 48 O 0.85293442063771 0.54582302697861 0.64724769513657 15.999 > 12 49 O 0.35293442063772 0.95417697302139 0.14724769513657 15.999 > 13 50 O 0.85293442063771 0.95417697302139 0.14724769513657 15.999 > 13 51 O 0.35293442063772 0.95417697302139 0.64724769513657 15.999 > 13 52 O 0.85293442063771 0.95417697302139 0.64724769513657 15.999 > 13 53 O 0.48873593319182 0.25000000000000 0.20658498241661 15.999 > 14 54 O 0.98873593319182 0.25000000000000 0.20658498241661 15.999 > 14 55 O 0.48873593319182 0.25000000000000 0.70658498241661 15.999 > 14 56 O 0.98873593319182 0.25000000000000 0.70658498241661 15.999 > 14 57 O 0.01126406680818 0.75000000000000 0.29341501758339 15.999 > 15 58 O 0.51126406680818 0.75000000000000 0.29341501758339 15.999 > 15 59 O 0.01126406680818 0.75000000000000 0.79341501758339 15.999 > 15 60 O 0.51126406680818 0.75000000000000 0.79341501758339 15.999 > 15 61 O 0.14706557936229 0.04582302697861 0.35275230486343 15.999 > 16 62 O 0.64706557936229 0.04582302697861 0.35275230486343 15.999 > 16 63 O 0.14706557936229 0.04582302697861 0.85275230486343 15.999 > 16 64 O 0.64706557936229 0.04582302697861 0.85275230486343 15.999 > 16 65 O 0.14706557936229 0.45417697302139 0.35275230486343 15.999 > 17 66 O 0.64706557936229 0.45417697302139 0.35275230486343 15.999 > 17 67 O 0.14706557936229 0.45417697302139 0.85275230486343 15.999 > 17 68 O 0.64706557936229 0.45417697302139 0.85275230486343 15.999 > 17 69 O 0.39706557936228 0.04582302697861 0.39724769513657 15.999 > 18 70 O 0.89706557936229 0.04582302697861 0.39724769513657 15.999 > 18 71 O 0.39706557936228 0.04582302697861 0.89724769513657 15.999 > 18 72 O 0.89706557936229 0.04582302697861 0.89724769513657 15.999 > 18 73 O 0.39706557936228 0.45417697302139 0.39724769513657 15.999 > 19 74 O 0.89706557936229 0.45417697302139 0.39724769513657 15.999 > 19 75 O 0.39706557936228 0.45417697302139 0.89724769513657 15.999 > 19 76 O 0.89706557936229 0.45417697302139 0.89724769513657 15.999 > 19 77 O 0.26126406680818 0.75000000000000 0.45658498241661 15.999 > 20 78 O 0.76126406680818 0.75000000000000 0.45658498241661 15.999 > 20 79 O 0.26126406680818 0.75000000000000 0.95658498241661 15.999 > 20 80 O 0.76126406680818 0.75000000000000 0.95658498241661 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1678551 0.0000000 0.0000000 0.0000000 4.0709396 0.0000000 0.0000000 0.0000000 4.2325846 -------------------------- Born effective charges -------------------------- 1 Dy 3.9050116 0.0000000 -0.0275152 0.0000000 3.7205169 0.0000000 0.1947538 0.0000000 4.0614279 2 Dy 3.9050116 0.0000000 0.0275152 0.0000000 3.7205169 0.0000000 -0.1947538 0.0000000 4.0614279 3 Dy 3.9050116 0.0000000 0.0275152 0.0000000 3.7205169 0.0000000 -0.1947538 0.0000000 4.0614279 4 Dy 3.9050116 0.0000000 -0.0275152 0.0000000 3.7205169 0.0000000 0.1947538 0.0000000 4.0614279 5 Al 2.9544941 -0.0828372 -0.2096987 0.0057839 2.9461090 -0.1902602 -0.0151548 0.0493052 2.9197141 6 Al 2.9544941 0.0828372 -0.2096987 -0.0057839 2.9461090 0.1902602 -0.0151548 -0.0493052 2.9197141 7 Al 2.9544941 -0.0828372 0.2096987 0.0057839 2.9461090 0.1902602 0.0151548 -0.0493052 2.9197141 8 Al 2.9544941 0.0828372 0.2096987 -0.0057839 2.9461090 -0.1902602 0.0151548 0.0493052 2.9197141 9 O -2.1522324 0.0000000 -0.2293750 0.0000000 -2.2851001 0.0000000 -0.3418963 0.0000000 -2.4191219 10 O -2.3536367 0.0594191 0.0323782 0.0855134 -2.1907629 -0.1219153 -0.0003319 -0.1603468 -2.2810100 11 O -2.3536367 -0.0594191 0.0323782 -0.0855134 -2.1907629 0.1219153 -0.0003319 0.1603468 -2.2810100 12 O -2.3536367 0.0594191 -0.0323782 0.0855134 -2.1907629 0.1219153 0.0003319 0.1603468 -2.2810100 13 O -2.3536367 -0.0594191 -0.0323782 -0.0855134 -2.1907629 -0.1219153 0.0003319 -0.1603468 -2.2810100 14 O -2.1522324 0.0000000 0.2293750 0.0000000 -2.2851001 0.0000000 0.3418963 0.0000000 -2.4191219 15 O -2.1522324 0.0000000 0.2293750 0.0000000 -2.2851001 0.0000000 0.3418963 0.0000000 -2.4191219 16 O -2.3536367 -0.0594191 -0.0323782 -0.0855134 -2.1907629 -0.1219153 0.0003319 -0.1603468 -2.2810100 17 O -2.3536367 0.0594191 -0.0323782 0.0855134 -2.1907629 0.1219153 0.0003319 0.1603468 -2.2810100 18 O -2.3536367 -0.0594191 0.0323782 -0.0855134 -2.1907629 0.1219153 -0.0003319 0.1603468 -2.2810100 19 O -2.3536367 0.0594191 0.0323782 0.0855134 -2.1907629 -0.1219153 -0.0003319 -0.1603468 -2.2810100 20 O -2.1522324 0.0000000 -0.2293750 0.0000000 -2.2851001 0.0000000 -0.3418963 0.0000000 -2.4191219 ---------------------------------------------------------------------------- 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: 0.756 Solver_block: 200 / 320 - Time: 0.747 Solver_block: 300 / 320 - Time: 0.746 Solver_block: 320 / 320 - Time: 0.193 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.457 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:59:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:59:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.322330000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.360964400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.156985150000000 Atomic positions (fractional): 1 Dy 0.94465754453372 0.75000000000000 0.01359890754892 162.500 2 Dy 0.44465754453372 0.75000000000000 0.48640109245108 162.500 3 Dy 0.55534245546628 0.25000000000000 0.51359890754892 162.500 4 Dy 0.05534245546628 0.25000000000000 0.98640109245108 162.500 5 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 6 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 7 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 9 O 0.47747186638364 0.25000000000000 0.08683003516678 15.999 10 O 0.20586884127543 0.54582302697861 0.20550460972687 15.999 11 O 0.20586884127543 0.95417697302139 0.20550460972687 15.999 12 O 0.70586884127543 0.54582302697861 0.29449539027313 15.999 13 O 0.70586884127543 0.95417697302139 0.29449539027313 15.999 14 O 0.97747186638364 0.25000000000000 0.41316996483322 15.999 15 O 0.02252813361636 0.75000000000000 0.58683003516678 15.999 16 O 0.29413115872457 0.04582302697861 0.70550460972687 15.999 17 O 0.29413115872457 0.45417697302139 0.70550460972687 15.999 18 O 0.79413115872457 0.04582302697861 0.79449539027313 15.999 19 O 0.79413115872457 0.45417697302139 0.79449539027313 15.999 20 O 0.52252813361636 0.75000000000000 0.91316996483322 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.644660000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.360964400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.313970299999999 Atomic positions (fractional): 1 Dy 0.47232877226686 0.75000000000000 0.00679945377446 162.500 > 1 2 Dy 0.97232877226686 0.75000000000000 0.00679945377446 162.500 > 1 3 Dy 0.47232877226686 0.75000000000000 0.50679945377446 162.500 > 1 4 Dy 0.97232877226686 0.75000000000000 0.50679945377446 162.500 > 1 5 Dy 0.22232877226686 0.75000000000000 0.24320054622554 162.500 > 5 6 Dy 0.72232877226686 0.75000000000000 0.24320054622554 162.500 > 5 7 Dy 0.22232877226686 0.75000000000000 0.74320054622554 162.500 > 5 8 Dy 0.72232877226686 0.75000000000000 0.74320054622554 162.500 > 5 9 Dy 0.27767122773314 0.25000000000000 0.25679945377446 162.500 > 9 10 Dy 0.77767122773314 0.25000000000000 0.25679945377446 162.500 > 9 11 Dy 0.27767122773314 0.25000000000000 0.75679945377446 162.500 > 9 12 Dy 0.77767122773314 0.25000000000000 0.75679945377446 162.500 > 9 13 Dy 0.02767122773314 0.25000000000000 0.49320054622554 162.500 > 13 14 Dy 0.52767122773314 0.25000000000000 0.49320054622554 162.500 > 13 15 Dy 0.02767122773314 0.25000000000000 0.99320054622554 162.500 > 13 16 Dy 0.52767122773314 0.25000000000000 0.99320054622554 162.500 > 13 17 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 17 18 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 17 19 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 17 20 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 17 21 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 21 22 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 21 23 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 21 24 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 21 25 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 25 26 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 25 27 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 25 28 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 25 29 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 29 30 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 29 31 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 29 32 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 29 33 O 0.23873593319182 0.25000000000000 0.04341501758339 15.999 > 33 34 O 0.73873593319182 0.25000000000000 0.04341501758339 15.999 > 33 35 O 0.23873593319182 0.25000000000000 0.54341501758339 15.999 > 33 36 O 0.73873593319182 0.25000000000000 0.54341501758339 15.999 > 33 37 O 0.10293442063772 0.54582302697861 0.10275230486343 15.999 > 37 38 O 0.60293442063771 0.54582302697861 0.10275230486343 15.999 > 37 39 O 0.10293442063772 0.54582302697861 0.60275230486343 15.999 > 37 40 O 0.60293442063771 0.54582302697861 0.60275230486343 15.999 > 37 41 O 0.10293442063772 0.95417697302139 0.10275230486343 15.999 > 41 42 O 0.60293442063771 0.95417697302139 0.10275230486343 15.999 > 41 43 O 0.10293442063772 0.95417697302139 0.60275230486343 15.999 > 41 44 O 0.60293442063771 0.95417697302139 0.60275230486343 15.999 > 41 45 O 0.35293442063772 0.54582302697861 0.14724769513657 15.999 > 45 46 O 0.85293442063771 0.54582302697861 0.14724769513657 15.999 > 45 47 O 0.35293442063772 0.54582302697861 0.64724769513657 15.999 > 45 48 O 0.85293442063771 0.54582302697861 0.64724769513657 15.999 > 45 49 O 0.35293442063772 0.95417697302139 0.14724769513657 15.999 > 49 50 O 0.85293442063771 0.95417697302139 0.14724769513657 15.999 > 49 51 O 0.35293442063772 0.95417697302139 0.64724769513657 15.999 > 49 52 O 0.85293442063771 0.95417697302139 0.64724769513657 15.999 > 49 53 O 0.48873593319182 0.25000000000000 0.20658498241661 15.999 > 53 54 O 0.98873593319182 0.25000000000000 0.20658498241661 15.999 > 53 55 O 0.48873593319182 0.25000000000000 0.70658498241661 15.999 > 53 56 O 0.98873593319182 0.25000000000000 0.70658498241661 15.999 > 53 57 O 0.01126406680818 0.75000000000000 0.29341501758339 15.999 > 57 58 O 0.51126406680818 0.75000000000000 0.29341501758339 15.999 > 57 59 O 0.01126406680818 0.75000000000000 0.79341501758339 15.999 > 57 60 O 0.51126406680818 0.75000000000000 0.79341501758339 15.999 > 57 61 O 0.14706557936229 0.04582302697861 0.35275230486343 15.999 > 61 62 O 0.64706557936229 0.04582302697861 0.35275230486343 15.999 > 61 63 O 0.14706557936229 0.04582302697861 0.85275230486343 15.999 > 61 64 O 0.64706557936229 0.04582302697861 0.85275230486343 15.999 > 61 65 O 0.14706557936229 0.45417697302139 0.35275230486343 15.999 > 65 66 O 0.64706557936229 0.45417697302139 0.35275230486343 15.999 > 65 67 O 0.14706557936229 0.45417697302139 0.85275230486343 15.999 > 65 68 O 0.64706557936229 0.45417697302139 0.85275230486343 15.999 > 65 69 O 0.39706557936228 0.04582302697861 0.39724769513657 15.999 > 69 70 O 0.89706557936229 0.04582302697861 0.39724769513657 15.999 > 69 71 O 0.39706557936228 0.04582302697861 0.89724769513657 15.999 > 69 72 O 0.89706557936229 0.04582302697861 0.89724769513657 15.999 > 69 73 O 0.39706557936228 0.45417697302139 0.39724769513657 15.999 > 73 74 O 0.89706557936229 0.45417697302139 0.39724769513657 15.999 > 73 75 O 0.39706557936228 0.45417697302139 0.89724769513657 15.999 > 73 76 O 0.89706557936229 0.45417697302139 0.89724769513657 15.999 > 73 77 O 0.26126406680818 0.75000000000000 0.45658498241661 15.999 > 77 78 O 0.76126406680818 0.75000000000000 0.45658498241661 15.999 > 77 79 O 0.26126406680818 0.75000000000000 0.95658498241661 15.999 > 77 80 O 0.76126406680818 0.75000000000000 0.95658498241661 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1678551 0.0000000 0.0000000 0.0000000 4.0709396 0.0000000 0.0000000 0.0000000 4.2325846 -------------------------- Born effective charges -------------------------- 1 Dy 3.9050116 0.0000000 -0.0275152 0.0000000 3.7205169 0.0000000 0.1947538 0.0000000 4.0614279 2 Dy 3.9050116 0.0000000 0.0275152 0.0000000 3.7205169 0.0000000 -0.1947538 0.0000000 4.0614279 3 Dy 3.9050116 0.0000000 0.0275152 0.0000000 3.7205169 0.0000000 -0.1947538 0.0000000 4.0614279 4 Dy 3.9050116 0.0000000 -0.0275152 0.0000000 3.7205169 0.0000000 0.1947538 0.0000000 4.0614279 5 Al 2.9544941 -0.0828372 -0.2096987 0.0057839 2.9461090 -0.1902602 -0.0151548 0.0493052 2.9197141 6 Al 2.9544941 0.0828372 -0.2096987 -0.0057839 2.9461090 0.1902602 -0.0151548 -0.0493052 2.9197141 7 Al 2.9544941 -0.0828372 0.2096987 0.0057839 2.9461090 0.1902602 0.0151548 -0.0493052 2.9197141 8 Al 2.9544941 0.0828372 0.2096987 -0.0057839 2.9461090 -0.1902602 0.0151548 0.0493052 2.9197141 9 O -2.1522324 0.0000000 -0.2293750 0.0000000 -2.2851001 0.0000000 -0.3418963 0.0000000 -2.4191219 10 O -2.3536367 0.0594191 0.0323782 0.0855134 -2.1907629 -0.1219153 -0.0003319 -0.1603468 -2.2810100 11 O -2.3536367 -0.0594191 0.0323782 -0.0855134 -2.1907629 0.1219153 -0.0003319 0.1603468 -2.2810100 12 O -2.3536367 0.0594191 -0.0323782 0.0855134 -2.1907629 0.1219153 0.0003319 0.1603468 -2.2810100 13 O -2.3536367 -0.0594191 -0.0323782 -0.0855134 -2.1907629 -0.1219153 0.0003319 -0.1603468 -2.2810100 14 O -2.1522324 0.0000000 0.2293750 0.0000000 -2.2851001 0.0000000 0.3418963 0.0000000 -2.4191219 15 O -2.1522324 0.0000000 0.2293750 0.0000000 -2.2851001 0.0000000 0.3418963 0.0000000 -2.4191219 16 O -2.3536367 -0.0594191 -0.0323782 -0.0855134 -2.1907629 -0.1219153 0.0003319 -0.1603468 -2.2810100 17 O -2.3536367 0.0594191 -0.0323782 0.0855134 -2.1907629 0.1219153 0.0003319 0.1603468 -2.2810100 18 O -2.3536367 -0.0594191 0.0323782 -0.0855134 -2.1907629 0.1219153 -0.0003319 0.1603468 -2.2810100 19 O -2.3536367 0.0594191 0.0323782 0.0855134 -2.1907629 -0.1219153 -0.0003319 -0.1603468 -2.2810100 20 O -2.1522324 0.0000000 -0.2293750 0.0000000 -2.2851001 0.0000000 -0.3418963 0.0000000 -2.4191219 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000009 (yzy) 0.00000009 (yzy) 0.00000009 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xz) -0.00000004 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:59:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:59:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.322330000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.360964400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.156985150000000 Atomic positions (fractional): 1 Dy 0.94465754453372 0.75000000000000 0.01359890754892 162.500 2 Dy 0.44465754453372 0.75000000000000 0.48640109245108 162.500 3 Dy 0.55534245546628 0.25000000000000 0.51359890754892 162.500 4 Dy 0.05534245546628 0.25000000000000 0.98640109245108 162.500 5 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 6 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 7 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 9 O 0.47747186638364 0.25000000000000 0.08683003516678 15.999 10 O 0.20586884127543 0.54582302697861 0.20550460972687 15.999 11 O 0.20586884127543 0.95417697302139 0.20550460972687 15.999 12 O 0.70586884127543 0.54582302697861 0.29449539027313 15.999 13 O 0.70586884127543 0.95417697302139 0.29449539027313 15.999 14 O 0.97747186638364 0.25000000000000 0.41316996483322 15.999 15 O 0.02252813361636 0.75000000000000 0.58683003516678 15.999 16 O 0.29413115872457 0.04582302697861 0.70550460972687 15.999 17 O 0.29413115872457 0.45417697302139 0.70550460972687 15.999 18 O 0.79413115872457 0.04582302697861 0.79449539027313 15.999 19 O 0.79413115872457 0.45417697302139 0.79449539027313 15.999 20 O 0.52252813361636 0.75000000000000 0.91316996483322 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.644660000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.360964400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.313970299999999 Atomic positions (fractional): 1 Dy 0.47232877226686 0.75000000000000 0.00679945377446 162.500 > 1 2 Dy 0.97232877226686 0.75000000000000 0.00679945377446 162.500 > 1 3 Dy 0.47232877226686 0.75000000000000 0.50679945377446 162.500 > 1 4 Dy 0.97232877226686 0.75000000000000 0.50679945377446 162.500 > 1 5 Dy 0.22232877226686 0.75000000000000 0.24320054622554 162.500 > 5 6 Dy 0.72232877226686 0.75000000000000 0.24320054622554 162.500 > 5 7 Dy 0.22232877226686 0.75000000000000 0.74320054622554 162.500 > 5 8 Dy 0.72232877226686 0.75000000000000 0.74320054622554 162.500 > 5 9 Dy 0.27767122773314 0.25000000000000 0.25679945377446 162.500 > 9 10 Dy 0.77767122773314 0.25000000000000 0.25679945377446 162.500 > 9 11 Dy 0.27767122773314 0.25000000000000 0.75679945377446 162.500 > 9 12 Dy 0.77767122773314 0.25000000000000 0.75679945377446 162.500 > 9 13 Dy 0.02767122773314 0.25000000000000 0.49320054622554 162.500 > 13 14 Dy 0.52767122773314 0.25000000000000 0.49320054622554 162.500 > 13 15 Dy 0.02767122773314 0.25000000000000 0.99320054622554 162.500 > 13 16 Dy 0.52767122773314 0.25000000000000 0.99320054622554 162.500 > 13 17 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 17 18 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 17 19 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 17 20 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 17 21 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 21 22 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 21 23 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 21 24 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 21 25 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 25 26 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 25 27 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 25 28 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 25 29 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 29 30 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 29 31 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 29 32 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 29 33 O 0.23873593319182 0.25000000000000 0.04341501758339 15.999 > 33 34 O 0.73873593319182 0.25000000000000 0.04341501758339 15.999 > 33 35 O 0.23873593319182 0.25000000000000 0.54341501758339 15.999 > 33 36 O 0.73873593319182 0.25000000000000 0.54341501758339 15.999 > 33 37 O 0.10293442063772 0.54582302697861 0.10275230486343 15.999 > 37 38 O 0.60293442063771 0.54582302697861 0.10275230486343 15.999 > 37 39 O 0.10293442063772 0.54582302697861 0.60275230486343 15.999 > 37 40 O 0.60293442063771 0.54582302697861 0.60275230486343 15.999 > 37 41 O 0.10293442063772 0.95417697302139 0.10275230486343 15.999 > 41 42 O 0.60293442063771 0.95417697302139 0.10275230486343 15.999 > 41 43 O 0.10293442063772 0.95417697302139 0.60275230486343 15.999 > 41 44 O 0.60293442063771 0.95417697302139 0.60275230486343 15.999 > 41 45 O 0.35293442063772 0.54582302697861 0.14724769513657 15.999 > 45 46 O 0.85293442063771 0.54582302697861 0.14724769513657 15.999 > 45 47 O 0.35293442063772 0.54582302697861 0.64724769513657 15.999 > 45 48 O 0.85293442063771 0.54582302697861 0.64724769513657 15.999 > 45 49 O 0.35293442063772 0.95417697302139 0.14724769513657 15.999 > 49 50 O 0.85293442063771 0.95417697302139 0.14724769513657 15.999 > 49 51 O 0.35293442063772 0.95417697302139 0.64724769513657 15.999 > 49 52 O 0.85293442063771 0.95417697302139 0.64724769513657 15.999 > 49 53 O 0.48873593319182 0.25000000000000 0.20658498241661 15.999 > 53 54 O 0.98873593319182 0.25000000000000 0.20658498241661 15.999 > 53 55 O 0.48873593319182 0.25000000000000 0.70658498241661 15.999 > 53 56 O 0.98873593319182 0.25000000000000 0.70658498241661 15.999 > 53 57 O 0.01126406680818 0.75000000000000 0.29341501758339 15.999 > 57 58 O 0.51126406680818 0.75000000000000 0.29341501758339 15.999 > 57 59 O 0.01126406680818 0.75000000000000 0.79341501758339 15.999 > 57 60 O 0.51126406680818 0.75000000000000 0.79341501758339 15.999 > 57 61 O 0.14706557936229 0.04582302697861 0.35275230486343 15.999 > 61 62 O 0.64706557936229 0.04582302697861 0.35275230486343 15.999 > 61 63 O 0.14706557936229 0.04582302697861 0.85275230486343 15.999 > 61 64 O 0.64706557936229 0.04582302697861 0.85275230486343 15.999 > 61 65 O 0.14706557936229 0.45417697302139 0.35275230486343 15.999 > 65 66 O 0.64706557936229 0.45417697302139 0.35275230486343 15.999 > 65 67 O 0.14706557936229 0.45417697302139 0.85275230486343 15.999 > 65 68 O 0.64706557936229 0.45417697302139 0.85275230486343 15.999 > 65 69 O 0.39706557936228 0.04582302697861 0.39724769513657 15.999 > 69 70 O 0.89706557936229 0.04582302697861 0.39724769513657 15.999 > 69 71 O 0.39706557936228 0.04582302697861 0.89724769513657 15.999 > 69 72 O 0.89706557936229 0.04582302697861 0.89724769513657 15.999 > 69 73 O 0.39706557936228 0.45417697302139 0.39724769513657 15.999 > 73 74 O 0.89706557936229 0.45417697302139 0.39724769513657 15.999 > 73 75 O 0.39706557936228 0.45417697302139 0.89724769513657 15.999 > 73 76 O 0.89706557936229 0.45417697302139 0.89724769513657 15.999 > 73 77 O 0.26126406680818 0.75000000000000 0.45658498241661 15.999 > 77 78 O 0.76126406680818 0.75000000000000 0.45658498241661 15.999 > 77 79 O 0.26126406680818 0.75000000000000 0.95658498241661 15.999 > 77 80 O 0.76126406680818 0.75000000000000 0.95658498241661 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1678551 0.0000000 0.0000000 0.0000000 4.0709396 0.0000000 0.0000000 0.0000000 4.2325846 -------------------------- Born effective charges -------------------------- 1 Dy 3.9050116 0.0000000 -0.0275152 0.0000000 3.7205169 0.0000000 0.1947538 0.0000000 4.0614279 2 Dy 3.9050116 0.0000000 0.0275152 0.0000000 3.7205169 0.0000000 -0.1947538 0.0000000 4.0614279 3 Dy 3.9050116 0.0000000 0.0275152 0.0000000 3.7205169 0.0000000 -0.1947538 0.0000000 4.0614279 4 Dy 3.9050116 0.0000000 -0.0275152 0.0000000 3.7205169 0.0000000 0.1947538 0.0000000 4.0614279 5 Al 2.9544941 -0.0828372 -0.2096987 0.0057839 2.9461090 -0.1902602 -0.0151548 0.0493052 2.9197141 6 Al 2.9544941 0.0828372 -0.2096987 -0.0057839 2.9461090 0.1902602 -0.0151548 -0.0493052 2.9197141 7 Al 2.9544941 -0.0828372 0.2096987 0.0057839 2.9461090 0.1902602 0.0151548 -0.0493052 2.9197141 8 Al 2.9544941 0.0828372 0.2096987 -0.0057839 2.9461090 -0.1902602 0.0151548 0.0493052 2.9197141 9 O -2.1522324 0.0000000 -0.2293750 0.0000000 -2.2851001 0.0000000 -0.3418963 0.0000000 -2.4191219 10 O -2.3536367 0.0594191 0.0323782 0.0855134 -2.1907629 -0.1219153 -0.0003319 -0.1603468 -2.2810100 11 O -2.3536367 -0.0594191 0.0323782 -0.0855134 -2.1907629 0.1219153 -0.0003319 0.1603468 -2.2810100 12 O -2.3536367 0.0594191 -0.0323782 0.0855134 -2.1907629 0.1219153 0.0003319 0.1603468 -2.2810100 13 O -2.3536367 -0.0594191 -0.0323782 -0.0855134 -2.1907629 -0.1219153 0.0003319 -0.1603468 -2.2810100 14 O -2.1522324 0.0000000 0.2293750 0.0000000 -2.2851001 0.0000000 0.3418963 0.0000000 -2.4191219 15 O -2.1522324 0.0000000 0.2293750 0.0000000 -2.2851001 0.0000000 0.3418963 0.0000000 -2.4191219 16 O -2.3536367 -0.0594191 -0.0323782 -0.0855134 -2.1907629 -0.1219153 0.0003319 -0.1603468 -2.2810100 17 O -2.3536367 0.0594191 -0.0323782 0.0855134 -2.1907629 0.1219153 0.0003319 0.1603468 -2.2810100 18 O -2.3536367 -0.0594191 0.0323782 -0.0855134 -2.1907629 0.1219153 -0.0003319 0.1603468 -2.2810100 19 O -2.3536367 0.0594191 0.0323782 0.0855134 -2.1907629 -0.1219153 -0.0003319 -0.1603468 -2.2810100 20 O -2.1522324 0.0000000 -0.2293750 0.0000000 -2.2851001 0.0000000 -0.3418963 0.0000000 -2.4191219 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (yzy) 0.00000009 (yzy) 0.00000009 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 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 2.984 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.906 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.729 ( 0.000 0.000 0.000) 0.000 10.187 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.291 ( 0.000 0.000 0.000) 0.000 10.648 ( 0.000 0.000 0.000) 0.000 10.775 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.376 ( 0.000 0.000 0.000) 0.000 11.416 ( 0.000 0.000 0.000) 0.000 11.864 ( 0.000 0.000 0.000) 0.000 12.141 ( 0.000 0.000 0.000) 0.000 12.178 ( 0.000 0.000 0.000) 0.000 12.668 ( 0.000 0.000 0.000) 0.000 12.732 ( 0.000 0.000 0.000) 0.000 13.007 ( 0.000 0.000 0.000) 0.000 13.156 ( 0.000 0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 13.240 ( 0.000 0.000 0.000) 0.000 14.083 ( 0.000 0.000 0.000) 0.000 14.103 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.469 ( 0.000 0.000 0.000) 0.000 14.573 ( 0.000 0.000 0.000) 0.000 14.941 ( 0.000 0.000 0.000) 0.000 15.565 ( 0.000 0.000 0.000) 0.000 15.688 ( 0.000 0.000 0.000) 0.000 16.047 ( 0.000 0.000 0.000) 0.000 16.297 ( 0.000 0.000 0.000) 0.000 16.730 ( 0.000 0.000 0.000) 0.000 17.124 ( 0.000 0.000 0.000) 0.000 18.256 ( 0.000 0.000 0.000) 0.000 18.512 ( 0.000 0.000 0.000) 0.000 18.710 ( 0.000 0.000 0.000) 0.000 18.908 ( 0.000 0.000 0.000) 0.000 19.436 ( 0.000 0.000 0.000) 0.000 19.564 ( 0.000 0.000 0.000) 0.000 19.658 ( 0.000 0.000 0.000) 0.000 19.880 ( 0.000 0.000 0.000) 0.000 20.758 ( 0.000 0.000 0.000) 0.000 21.670 ( 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: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 35.585 0.000 0.000) 35.585 0.941 ( 43.745 0.000 0.000) 43.745 1.248 ( 54.949 0.000 0.000) 54.949 3.014 ( 2.747 0.000 0.000) 2.747 3.370 ( 2.444 0.000 0.000) 2.444 3.499 ( 1.979 0.000 0.000) 1.979 3.825 ( -2.214 0.000 0.000) 2.214 3.956 ( -2.274 0.000 0.000) 2.274 4.233 ( -4.680 0.000 0.000) 4.680 4.367 ( -1.900 0.000 0.000) 1.900 4.689 ( -8.417 0.000 0.000) 8.417 5.008 ( -14.058 0.000 0.000) 14.058 6.283 ( 4.830 0.000 0.000) 4.830 6.461 ( 10.781 0.000 0.000) 10.781 7.146 ( 4.058 0.000 0.000) 4.058 7.753 ( 6.280 0.000 0.000) 6.280 7.998 ( -1.486 0.000 0.000) 1.486 8.150 ( 26.056 0.000 0.000) 26.056 8.305 ( 1.429 0.000 0.000) 1.429 8.729 ( 0.197 0.000 0.000) 0.197 10.089 ( -9.508 0.000 0.000) 9.508 10.104 ( -16.804 0.000 0.000) 16.804 10.489 ( 8.626 0.000 0.000) 8.626 10.653 ( 1.276 0.000 0.000) 1.276 10.720 ( -5.333 0.000 0.000) 5.333 11.206 ( -12.375 0.000 0.000) 12.375 11.259 ( -10.250 0.000 0.000) 10.250 11.494 ( 5.795 0.000 0.000) 5.795 11.810 ( -4.788 0.000 0.000) 4.788 12.252 ( 5.379 0.000 0.000) 5.379 12.256 ( 10.513 0.000 0.000) 10.513 12.800 ( 6.552 0.000 0.000) 6.552 12.855 ( 10.424 0.000 0.000) 10.424 12.997 ( -0.512 0.000 0.000) 0.512 13.173 ( 1.421 0.000 0.000) 1.421 13.284 ( 4.705 0.000 0.000) 4.705 14.116 ( 0.290 0.000 0.000) 0.290 14.197 ( -4.022 0.000 0.000) 4.022 14.318 ( 18.504 0.000 0.000) 18.504 14.368 ( -0.970 0.000 0.000) 0.970 14.521 ( 7.872 0.000 0.000) 7.872 14.548 ( 0.218 0.000 0.000) 0.218 14.847 ( -6.536 0.000 0.000) 6.536 15.551 ( -1.491 0.000 0.000) 1.491 15.917 ( -9.555 0.000 0.000) 9.555 15.926 ( 19.587 0.000 0.000) 19.587 16.180 ( 3.292 0.000 0.000) 3.292 16.255 ( -30.268 0.000 0.000) 30.268 17.507 ( 21.715 0.000 0.000) 21.715 17.827 ( 2.126 0.000 0.000) 2.126 17.992 ( -22.071 0.000 0.000) 22.071 18.479 ( -4.315 0.000 0.000) 4.315 18.870 ( -2.538 0.000 0.000) 2.538 19.419 ( -1.627 0.000 0.000) 1.627 19.449 ( -10.712 0.000 0.000) 10.712 19.555 ( -9.790 0.000 0.000) 9.790 20.121 ( 19.771 0.000 0.000) 19.771 20.807 ( 4.397 0.000 0.000) 4.397 21.679 ( 0.736 0.000 0.000) 0.736 21.863 ( -2.618 0.000 0.000) 2.618 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 32.593 0.000 0.000) 32.593 1.797 ( 37.584 0.000 0.000) 37.584 2.195 ( 34.130 0.000 0.000) 34.130 3.087 ( 3.926 0.000 0.000) 3.926 3.436 ( 2.021 0.000 0.000) 2.021 3.557 ( 3.339 0.000 0.000) 3.339 3.799 ( 1.754 0.000 0.000) 1.754 3.893 ( -3.486 0.000 0.000) 3.486 4.105 ( -7.046 0.000 0.000) 7.046 4.306 ( -3.871 0.000 0.000) 3.871 4.448 ( -13.893 0.000 0.000) 13.893 4.646 ( -18.944 0.000 0.000) 18.944 6.427 ( 9.017 0.000 0.000) 9.017 6.776 ( 18.745 0.000 0.000) 18.745 7.250 ( 5.251 0.000 0.000) 5.251 7.961 ( 12.009 0.000 0.000) 12.009 7.976 ( 0.182 0.000 0.000) 0.182 8.375 ( 5.535 0.000 0.000) 5.535 8.751 ( 2.193 0.000 0.000) 2.193 8.826 ( 37.455 0.000 0.000) 37.455 9.655 ( -24.696 0.000 0.000) 24.696 9.898 ( -8.744 0.000 0.000) 8.744 10.549 ( -11.206 0.000 0.000) 11.206 10.608 ( -0.655 0.000 0.000) 0.655 10.715 ( 4.668 0.000 0.000) 4.668 10.940 ( -7.895 0.000 0.000) 7.895 10.993 ( -14.316 0.000 0.000) 14.316 11.587 ( 1.759 0.000 0.000) 1.759 11.678 ( -7.714 0.000 0.000) 7.714 12.279 ( -5.820 0.000 0.000) 5.820 12.555 ( 17.424 0.000 0.000) 17.424 13.021 ( 14.275 0.000 0.000) 14.275 13.047 ( 7.314 0.000 0.000) 7.314 13.073 ( 8.417 0.000 0.000) 8.417 13.208 ( 1.822 0.000 0.000) 1.822 13.483 ( 15.356 0.000 0.000) 15.356 13.990 ( -14.352 0.000 0.000) 14.352 14.011 ( -9.411 0.000 0.000) 9.411 14.386 ( 3.105 0.000 0.000) 3.105 14.657 ( 8.899 0.000 0.000) 8.899 14.722 ( -5.172 0.000 0.000) 5.172 14.746 ( 18.889 0.000 0.000) 18.889 14.883 ( 25.938 0.000 0.000) 25.938 15.505 ( -2.412 0.000 0.000) 2.412 15.590 ( -31.916 0.000 0.000) 31.916 15.668 ( -14.295 0.000 0.000) 14.295 16.287 ( 9.004 0.000 0.000) 9.004 16.428 ( 26.463 0.000 0.000) 26.463 17.454 ( -27.803 0.000 0.000) 27.803 17.895 ( 14.842 0.000 0.000) 14.842 17.895 ( 4.331 0.000 0.000) 4.331 18.267 ( -16.628 0.000 0.000) 16.628 18.863 ( 2.280 0.000 0.000) 2.280 19.133 ( -19.252 0.000 0.000) 19.252 19.262 ( -17.834 0.000 0.000) 17.834 19.369 ( -3.138 0.000 0.000) 3.138 20.582 ( 22.584 0.000 0.000) 22.584 20.930 ( 7.234 0.000 0.000) 7.234 21.691 ( 0.089 0.000 0.000) 0.089 21.783 ( -5.014 0.000 0.000) 5.014 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 27.805 0.000 0.000) 27.805 2.481 ( 27.313 0.000 0.000) 27.313 2.699 ( 16.638 0.000 0.000) 16.638 3.155 ( 1.871 0.000 0.000) 1.871 3.367 ( -7.885 0.000 0.000) 7.885 3.604 ( -0.872 0.000 0.000) 0.872 3.832 ( -1.094 0.000 0.000) 1.094 3.922 ( 6.792 0.000 0.000) 6.792 3.967 ( -5.450 0.000 0.000) 5.450 4.161 ( -11.609 0.000 0.000) 11.609 4.207 ( -5.577 0.000 0.000) 5.577 4.272 ( -15.917 0.000 0.000) 15.917 6.664 ( 13.675 0.000 0.000) 13.675 7.212 ( 22.166 0.000 0.000) 22.166 7.328 ( 1.128 0.000 0.000) 1.128 8.015 ( 2.315 0.000 0.000) 2.315 8.204 ( 10.696 0.000 0.000) 10.696 8.540 ( 10.421 0.000 0.000) 10.421 8.822 ( 4.284 0.000 0.000) 4.284 9.128 ( -24.528 0.000 0.000) 24.528 9.659 ( 41.076 0.000 0.000) 41.076 9.730 ( -6.905 0.000 0.000) 6.905 10.252 ( -17.012 0.000 0.000) 17.012 10.424 ( -10.761 0.000 0.000) 10.761 10.690 ( -14.075 0.000 0.000) 14.075 10.849 ( 8.104 0.000 0.000) 8.104 10.997 ( 9.290 0.000 0.000) 9.290 11.494 ( -9.820 0.000 0.000) 9.820 11.517 ( -9.698 0.000 0.000) 9.698 12.006 ( -18.136 0.000 0.000) 18.136 12.951 ( 19.655 0.000 0.000) 19.655 13.202 ( 4.813 0.000 0.000) 4.813 13.250 ( 2.473 0.000 0.000) 2.473 13.290 ( 13.456 0.000 0.000) 13.456 13.374 ( 19.066 0.000 0.000) 19.066 13.679 ( -13.776 0.000 0.000) 13.776 13.772 ( -12.046 0.000 0.000) 12.046 13.888 ( 21.157 0.000 0.000) 21.157 14.464 ( 2.190 0.000 0.000) 2.190 14.666 ( 1.628 0.000 0.000) 1.628 14.807 ( 2.003 0.000 0.000) 2.003 14.942 ( -29.225 0.000 0.000) 29.225 14.970 ( 0.823 0.000 0.000) 0.823 15.337 ( -16.307 0.000 0.000) 16.307 15.516 ( 6.165 0.000 0.000) 6.165 15.542 ( 35.704 0.000 0.000) 35.704 16.639 ( 25.057 0.000 0.000) 25.057 16.871 ( -27.414 0.000 0.000) 27.414 17.003 ( 27.953 0.000 0.000) 27.953 17.800 ( -27.537 0.000 0.000) 27.537 17.997 ( 4.997 0.000 0.000) 4.997 18.118 ( 6.517 0.000 0.000) 6.517 18.660 ( -25.537 0.000 0.000) 25.537 18.831 ( -22.855 0.000 0.000) 22.855 18.947 ( 5.268 0.000 0.000) 5.268 19.289 ( -4.445 0.000 0.000) 4.445 21.021 ( 18.869 0.000 0.000) 18.869 21.101 ( 8.961 0.000 0.000) 8.961 21.655 ( -7.116 0.000 0.000) 7.116 21.668 ( -2.621 0.000 0.000) 2.621 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 20.948 0.000 0.000) 20.948 2.910 ( -1.626 0.000 0.000) 1.626 2.925 ( 15.321 0.000 0.000) 15.321 3.132 ( -4.898 0.000 0.000) 4.898 3.229 ( 1.435 0.000 0.000) 1.435 3.443 ( -12.789 0.000 0.000) 12.789 3.887 ( 5.225 0.000 0.000) 5.225 3.910 ( 0.717 0.000 0.000) 0.717 3.978 ( -1.700 0.000 0.000) 1.700 4.010 ( -8.831 0.000 0.000) 8.831 4.034 ( -0.754 0.000 0.000) 0.754 4.087 ( -5.119 0.000 0.000) 5.119 6.981 ( 15.683 0.000 0.000) 15.683 7.254 ( -8.854 0.000 0.000) 8.854 7.659 ( 19.484 0.000 0.000) 19.484 7.968 ( -8.711 0.000 0.000) 8.711 8.414 ( 10.275 0.000 0.000) 10.275 8.686 ( -16.920 0.000 0.000) 16.920 8.793 ( 11.372 0.000 0.000) 11.372 8.896 ( 1.273 0.000 0.000) 1.273 9.656 ( 2.008 0.000 0.000) 2.008 9.875 ( -17.199 0.000 0.000) 17.199 10.307 ( 0.530 0.000 0.000) 0.530 10.430 ( -10.155 0.000 0.000) 10.155 10.487 ( 36.945 0.000 0.000) 36.945 11.045 ( 10.196 0.000 0.000) 10.196 11.151 ( -25.088 0.000 0.000) 25.088 11.249 ( 14.638 0.000 0.000) 14.638 11.274 ( -10.991 0.000 0.000) 10.991 11.604 ( -18.989 0.000 0.000) 18.989 13.297 ( 4.534 0.000 0.000) 4.534 13.324 ( 4.277 0.000 0.000) 4.277 13.327 ( 14.690 0.000 0.000) 14.690 13.459 ( -6.454 0.000 0.000) 6.454 13.480 ( 1.693 0.000 0.000) 1.693 13.530 ( -10.096 0.000 0.000) 10.096 13.807 ( 22.466 0.000 0.000) 22.466 14.311 ( -24.641 0.000 0.000) 24.641 14.327 ( 19.807 0.000 0.000) 19.807 14.549 ( 5.042 0.000 0.000) 5.042 14.679 ( -12.912 0.000 0.000) 12.912 14.793 ( -14.545 0.000 0.000) 14.545 14.830 ( 9.968 0.000 0.000) 9.968 15.052 ( -11.120 0.000 0.000) 11.120 15.803 ( 19.692 0.000 0.000) 19.692 16.205 ( -0.035 0.000 0.000) 0.035 16.441 ( 13.272 0.000 0.000) 13.272 17.141 ( -34.928 0.000 0.000) 34.928 17.255 ( 30.971 0.000 0.000) 30.971 17.537 ( 18.129 0.000 0.000) 18.129 18.061 ( -1.696 0.000 0.000) 1.696 18.064 ( -18.839 0.000 0.000) 18.839 18.234 ( -2.639 0.000 0.000) 2.639 18.360 ( -18.689 0.000 0.000) 18.689 19.066 ( 5.878 0.000 0.000) 5.878 19.186 ( -5.433 0.000 0.000) 5.433 21.296 ( 9.497 0.000 0.000) 9.497 21.356 ( 13.101 0.000 0.000) 13.101 21.489 ( -8.753 0.000 0.000) 8.753 21.568 ( -7.267 0.000 0.000) 7.267 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 40.385 0.000) 40.385 0.859 ( 0.000 43.032 0.000) 43.032 1.307 ( 0.000 65.161 0.000) 65.161 3.008 ( 0.000 1.563 0.000) 1.563 3.292 ( 0.000 -5.698 0.000) 5.698 3.444 ( 0.000 -2.674 0.000) 2.674 3.821 ( 0.000 0.432 0.000) 0.432 4.020 ( 0.000 3.806 0.000) 3.806 4.234 ( 0.000 -4.991 0.000) 4.991 4.361 ( 0.000 -2.364 0.000) 2.364 4.740 ( 0.000 -3.976 0.000) 3.976 5.096 ( 0.000 -7.290 0.000) 7.290 6.385 ( 0.000 3.964 0.000) 3.964 6.918 ( 0.000 1.434 0.000) 1.434 7.072 ( 0.000 -3.052 0.000) 3.052 7.710 ( 0.000 -7.139 0.000) 7.139 7.782 ( 0.000 3.362 0.000) 3.362 7.964 ( 0.000 -4.337 0.000) 4.337 8.218 ( 0.000 8.709 0.000) 8.709 8.786 ( 0.000 5.955 0.000) 5.955 10.064 ( 0.000 -13.738 0.000) 13.738 10.339 ( 0.000 5.737 0.000) 5.737 10.402 ( 0.000 10.292 0.000) 10.292 10.600 ( 0.000 -17.097 0.000) 17.097 10.764 ( 0.000 12.068 0.000) 12.068 10.986 ( 0.000 -15.303 0.000) 15.303 11.159 ( 0.000 -8.689 0.000) 8.689 11.692 ( 0.000 13.715 0.000) 13.715 12.100 ( 0.000 16.756 0.000) 16.756 12.157 ( 0.000 1.681 0.000) 1.681 12.179 ( 0.000 0.610 0.000) 0.610 12.666 ( 0.000 0.114 0.000) 0.114 12.784 ( 0.000 0.648 0.000) 0.648 12.978 ( 0.000 -2.952 0.000) 2.952 13.189 ( 0.000 0.898 0.000) 0.898 13.213 ( 0.000 5.578 0.000) 5.578 13.982 ( 0.000 -9.646 0.000) 9.646 14.111 ( 0.000 2.842 0.000) 2.842 14.132 ( 0.000 -8.438 0.000) 8.438 14.327 ( 0.000 -5.861 0.000) 5.861 14.329 ( 0.000 3.729 0.000) 3.729 14.471 ( 0.000 -9.507 0.000) 9.507 15.084 ( 0.000 14.630 0.000) 14.630 15.654 ( 0.000 8.799 0.000) 8.799 15.770 ( 0.000 7.546 0.000) 7.546 16.031 ( 0.000 -1.514 0.000) 1.514 16.261 ( 0.000 -3.602 0.000) 3.602 16.690 ( 0.000 -3.875 0.000) 3.875 17.056 ( 0.000 -6.943 0.000) 6.943 17.788 ( 0.000 5.318 0.000) 5.318 18.321 ( 0.000 2.433 0.000) 2.433 18.341 ( 0.000 -21.071 0.000) 21.071 18.685 ( 0.000 -2.575 0.000) 2.575 18.825 ( 0.000 -2.397 0.000) 2.397 19.256 ( 0.000 -23.409 0.000) 23.409 19.514 ( 0.000 -4.969 0.000) 4.969 20.328 ( 0.000 28.042 0.000) 28.042 20.934 ( 0.000 15.477 0.000) 15.477 21.686 ( 0.000 1.356 0.000) 1.356 22.345 ( 0.000 -7.167 0.000) 7.167 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 23.840 22.929 0.000) 33.077 1.083 ( 22.876 27.844 0.000) 36.036 1.907 ( 39.485 46.117 0.000) 60.711 3.024 ( 1.554 0.394 0.000) 1.603 3.297 ( 1.775 -6.586 0.000) 6.821 3.466 ( 1.992 -2.738 0.000) 3.386 3.814 ( -1.711 -0.679 0.000) 1.841 3.992 ( -2.691 3.242 0.000) 4.213 4.180 ( -4.823 -4.926 0.000) 6.894 4.340 ( -2.032 -2.480 0.000) 3.206 4.660 ( -7.420 -2.988 0.000) 7.999 4.955 ( -12.520 -5.577 0.000) 13.706 6.496 ( 10.405 3.572 0.000) 11.001 6.692 ( -8.030 26.934 0.000) 28.106 7.122 ( 4.517 -2.610 0.000) 5.217 7.667 ( 4.338 -5.774 0.000) 7.222 7.954 ( 7.451 -4.703 0.000) 8.811 8.127 ( 13.341 -7.446 0.000) 15.278 8.243 ( 7.712 3.828 0.000) 8.610 8.784 ( -0.048 5.738 0.000) 5.738 9.989 ( -6.423 -10.787 0.000) 12.555 10.127 ( -19.896 -0.704 0.000) 19.908 10.457 ( 6.746 -2.126 0.000) 7.073 10.680 ( 1.554 -1.727 0.000) 2.324 10.745 ( -1.365 9.715 0.000) 9.811 10.934 ( -5.503 -14.986 0.000) 15.964 11.149 ( -2.455 -7.252 0.000) 7.656 11.609 ( -4.524 7.400 0.000) 8.673 12.085 ( -6.291 15.319 0.000) 16.560 12.292 ( 7.561 4.157 0.000) 8.628 12.292 ( 10.930 5.145 0.000) 12.080 12.706 ( 4.514 -6.097 0.000) 7.587 12.905 ( 12.216 4.237 0.000) 12.930 12.962 ( -1.266 -3.315 0.000) 3.548 13.235 ( 1.978 5.957 0.000) 6.277 13.368 ( 10.326 4.806 0.000) 11.390 13.977 ( -1.234 -11.590 0.000) 11.655 14.136 ( -1.445 -6.745 0.000) 6.898 14.277 ( -4.172 -8.499 0.000) 9.468 14.334 ( 19.315 2.010 0.000) 19.419 14.429 ( -1.775 -8.528 0.000) 8.711 14.505 ( 13.892 0.457 0.000) 13.899 15.067 ( -0.860 18.908 0.000) 18.927 15.552 ( -4.916 1.264 0.000) 5.076 15.999 ( -10.647 3.658 0.000) 11.257 16.021 ( 16.169 6.630 0.000) 17.475 16.142 ( -0.046 -3.566 0.000) 3.566 16.236 ( -26.586 -0.013 0.000) 26.586 17.438 ( 21.511 -7.036 0.000) 22.633 17.802 ( -2.766 0.772 0.000) 2.872 18.087 ( -16.086 6.709 0.000) 17.429 18.357 ( 1.020 -18.332 0.000) 18.360 18.738 ( -7.874 -5.124 0.000) 9.394 18.918 ( 10.104 -27.205 0.000) 29.020 19.277 ( -1.361 -20.063 0.000) 20.109 19.405 ( -10.303 -4.645 0.000) 11.302 20.445 ( 11.342 24.649 0.000) 27.133 20.977 ( 3.907 15.026 0.000) 15.526 21.696 ( 0.882 1.505 0.000) 1.745 22.105 ( -12.609 8.034 0.000) 14.951 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 27.180 14.658 0.000) 30.881 1.651 ( 31.629 -1.723 0.000) 31.675 2.626 ( 26.022 30.189 0.000) 39.856 3.069 ( 2.561 -2.120 0.000) 3.324 3.380 ( 4.867 -5.717 0.000) 7.508 3.521 ( 2.929 -3.279 0.000) 4.397 3.763 ( -1.798 -3.293 0.000) 3.752 3.907 ( -5.453 -0.266 0.000) 5.459 4.055 ( -6.390 -2.870 0.000) 7.005 4.278 ( -3.856 -2.404 0.000) 4.544 4.450 ( -11.902 -0.310 0.000) 11.906 4.635 ( -16.550 -1.448 0.000) 16.613 6.665 ( 3.949 21.922 0.000) 22.275 6.799 ( 17.987 2.425 0.000) 18.150 7.242 ( 6.374 -1.103 0.000) 6.469 7.847 ( 10.295 -7.180 0.000) 12.552 8.027 ( 4.132 1.594 0.000) 4.429 8.320 ( 8.333 -4.062 0.000) 9.270 8.767 ( 34.203 -5.501 0.000) 34.643 8.791 ( 0.876 4.166 0.000) 4.257 9.654 ( -24.495 -1.524 0.000) 24.542 9.851 ( -5.566 -5.912 0.000) 8.120 10.524 ( -2.738 -7.366 0.000) 7.858 10.578 ( -9.992 4.885 0.000) 11.123 10.764 ( 1.998 4.158 0.000) 4.613 10.830 ( -0.909 -6.840 0.000) 6.900 11.009 ( -9.627 1.459 0.000) 9.736 11.578 ( 0.199 -0.907 0.000) 0.928 11.901 ( -10.064 17.376 0.000) 20.080 12.341 ( -5.965 6.348 0.000) 8.711 12.576 ( 15.989 2.518 0.000) 16.186 12.880 ( 11.976 -10.677 0.000) 16.044 12.980 ( 4.584 -5.406 0.000) 7.088 13.165 ( 10.137 8.304 0.000) 13.104 13.294 ( 3.880 7.225 0.000) 8.201 13.622 ( 14.972 9.039 0.000) 17.489 13.902 ( -4.898 -8.576 0.000) 9.877 13.961 ( -13.460 -3.174 0.000) 13.829 14.252 ( 1.215 -12.881 0.000) 12.938 14.449 ( 3.076 -8.148 0.000) 8.710 14.819 ( 21.353 5.682 0.000) 22.097 14.884 ( 24.848 0.112 0.000) 24.849 15.085 ( 2.314 23.071 0.000) 23.187 15.398 ( -13.760 -4.686 0.000) 14.536 15.671 ( -18.546 2.022 0.000) 18.655 15.683 ( -17.471 1.548 0.000) 17.539 16.229 ( 8.132 -5.435 0.000) 9.781 16.485 ( 23.904 6.610 0.000) 24.801 17.478 ( -24.093 2.662 0.000) 24.239 17.820 ( 14.345 -7.394 0.000) 16.139 17.959 ( 1.324 6.133 0.000) 6.274 18.286 ( -12.064 -0.537 0.000) 12.076 18.592 ( -1.731 -22.335 0.000) 22.402 18.985 ( -4.234 -27.436 0.000) 27.760 19.097 ( -18.732 -4.273 0.000) 19.213 19.148 ( -8.664 -14.887 0.000) 17.225 20.766 ( 17.823 16.693 0.000) 24.420 21.088 ( 6.537 13.982 0.000) 15.435 21.713 ( 0.418 1.991 0.000) 2.034 21.906 ( -7.635 8.007 0.000) 11.064 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 24.613 6.674 0.000) 25.502 2.252 ( 25.121 -10.371 0.000) 27.177 3.002 ( 12.246 17.503 0.000) 21.361 3.118 ( 1.524 -3.697 0.000) 3.998 3.373 ( -5.901 0.817 0.000) 5.957 3.558 ( -0.647 -4.813 0.000) 4.856 3.774 ( 0.391 -13.391 0.000) 13.396 3.776 ( -6.273 -6.683 0.000) 9.166 3.945 ( -3.441 1.346 0.000) 3.695 4.185 ( -4.801 -1.129 0.000) 4.932 4.214 ( -9.104 3.108 0.000) 9.620 4.326 ( -11.872 3.490 0.000) 12.374 6.828 ( 11.242 15.970 0.000) 19.530 7.211 ( 19.764 0.340 0.000) 19.767 7.358 ( 4.568 2.267 0.000) 5.099 8.010 ( 3.886 -0.699 0.000) 3.948 8.176 ( 9.281 -2.043 0.000) 9.504 8.541 ( 13.243 0.629 0.000) 13.258 8.810 ( -0.352 -0.595 0.000) 0.691 9.155 ( -21.106 1.392 0.000) 21.152 9.410 ( 17.870 -15.177 0.000) 23.445 9.891 ( 18.040 5.822 0.000) 18.956 10.292 ( -17.059 5.261 0.000) 17.852 10.383 ( -7.015 -3.169 0.000) 7.698 10.689 ( -10.689 0.913 0.000) 10.728 10.923 ( 7.792 -5.913 0.000) 9.782 10.934 ( 4.714 6.671 0.000) 8.168 11.522 ( -7.699 0.066 0.000) 7.699 11.689 ( -9.865 16.740 0.000) 19.430 12.055 ( -18.875 5.161 0.000) 19.568 12.910 ( 14.136 -3.493 0.000) 14.561 13.097 ( 3.997 -9.752 0.000) 10.539 13.195 ( 17.520 -12.226 0.000) 21.364 13.326 ( 6.962 11.018 0.000) 13.033 13.404 ( 4.929 6.233 0.000) 7.946 13.697 ( -6.436 -7.710 0.000) 10.043 13.710 ( -6.905 2.432 0.000) 7.321 14.087 ( 20.936 14.948 0.000) 25.725 14.269 ( 0.433 -15.260 0.000) 15.266 14.530 ( 1.981 -8.016 0.000) 8.257 14.872 ( -20.581 0.720 0.000) 20.594 15.040 ( -0.587 6.301 0.000) 6.328 15.174 ( -5.803 19.612 0.000) 20.452 15.278 ( -16.160 -5.278 0.000) 17.000 15.575 ( 7.868 5.745 0.000) 9.743 15.577 ( 34.696 3.505 0.000) 34.872 16.532 ( 17.941 -7.874 0.000) 19.593 16.983 ( -18.692 8.491 0.000) 20.530 17.013 ( 26.020 1.495 0.000) 26.063 17.812 ( -25.022 0.671 0.000) 25.031 18.011 ( 2.671 1.543 0.000) 3.085 18.080 ( 4.560 -3.240 0.000) 5.594 18.568 ( -16.304 -13.067 0.000) 20.894 18.702 ( -19.485 -13.270 0.000) 23.575 18.719 ( -3.643 -17.409 0.000) 17.786 19.033 ( -4.065 -22.203 0.000) 22.572 21.133 ( 16.360 10.654 0.000) 19.524 21.242 ( 8.043 12.498 0.000) 14.862 21.700 ( -2.031 2.928 0.000) 3.563 21.754 ( -7.326 7.728 0.000) 10.649 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 16.691 -0.057 0.000) 16.691 2.673 ( 13.483 -11.015 0.000) 17.410 3.092 ( -4.448 -2.512 0.000) 5.108 3.096 ( -5.823 5.776 0.000) 8.202 3.315 ( 5.902 7.474 0.000) 9.523 3.468 ( -6.819 -0.161 0.000) 6.821 3.679 ( -2.020 -12.552 0.000) 12.713 3.715 ( -4.353 -17.590 0.000) 18.121 3.949 ( 3.802 0.605 0.000) 3.850 4.067 ( -6.549 -0.841 0.000) 6.603 4.114 ( -0.647 4.672 0.000) 4.717 4.159 ( -4.604 5.467 0.000) 7.147 7.099 ( 13.348 11.415 0.000) 17.563 7.315 ( -5.804 5.783 0.000) 8.194 7.658 ( 18.465 -0.070 0.000) 18.466 7.960 ( -9.094 -0.867 0.000) 9.136 8.376 ( 10.024 -3.041 0.000) 10.475 8.629 ( -14.413 -4.010 0.000) 14.961 8.833 ( 11.553 3.146 0.000) 11.974 8.946 ( -1.648 2.691 0.000) 3.155 9.572 ( 8.406 -6.164 0.000) 10.423 9.892 ( -19.856 3.311 0.000) 20.130 10.324 ( 2.159 1.804 0.000) 2.814 10.459 ( -9.786 2.952 0.000) 10.222 10.548 ( 35.170 4.283 0.000) 35.430 11.070 ( 5.376 1.194 0.000) 5.507 11.094 ( 6.346 -7.475 0.000) 9.805 11.197 ( -23.109 3.688 0.000) 23.402 11.525 ( -3.555 16.364 0.000) 16.746 11.665 ( -15.738 6.829 0.000) 17.156 13.109 ( 4.632 -13.469 0.000) 14.243 13.136 ( 0.635 -15.390 0.000) 15.403 13.379 ( 1.231 3.525 0.000) 3.734 13.401 ( -2.208 3.580 0.000) 4.206 13.630 ( 3.885 4.357 0.000) 5.838 13.677 ( 22.341 -7.568 0.000) 23.588 13.701 ( -0.382 7.520 0.000) 7.530 14.195 ( -24.443 -7.934 0.000) 25.699 14.370 ( 9.920 -8.665 0.000) 13.171 14.509 ( 15.237 15.035 0.000) 21.407 14.781 ( -14.974 -2.539 0.000) 15.188 14.828 ( 8.718 0.149 0.000) 8.719 14.946 ( -14.364 15.208 0.000) 20.919 15.036 ( -9.267 -0.384 0.000) 9.275 15.895 ( 19.922 9.573 0.000) 22.102 16.287 ( 4.521 8.020 0.000) 9.207 16.446 ( 11.845 0.875 0.000) 11.877 17.164 ( -34.973 2.319 0.000) 35.050 17.251 ( 30.309 -0.813 0.000) 30.320 17.529 ( 19.722 -0.814 0.000) 19.739 17.995 ( -23.327 -6.645 0.000) 24.255 18.008 ( -6.625 -5.321 0.000) 8.497 18.190 ( -0.373 -4.255 0.000) 4.271 18.300 ( -14.522 -5.533 0.000) 15.540 18.814 ( 6.187 -23.817 0.000) 24.607 18.936 ( -5.337 -23.217 0.000) 23.823 21.416 ( 8.432 10.576 0.000) 13.526 21.426 ( 11.418 6.817 0.000) 13.298 21.594 ( -7.904 8.919 0.000) 11.917 21.616 ( -6.225 4.547 0.000) 7.708 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 35.982 0.000) 35.982 1.648 ( 0.000 37.755 0.000) 37.755 2.483 ( 0.000 54.517 0.000) 54.517 2.963 ( 0.000 -8.437 0.000) 8.437 3.120 ( 0.000 -12.167 0.000) 12.167 3.444 ( 0.000 4.574 0.000) 4.574 3.825 ( 0.000 -0.362 0.000) 0.362 4.049 ( 0.000 -6.684 0.000) 6.684 4.168 ( 0.000 4.178 0.000) 4.178 4.310 ( 0.000 -2.262 0.000) 2.262 4.632 ( 0.000 -6.931 0.000) 6.931 4.883 ( 0.000 -14.618 0.000) 14.618 6.495 ( 0.000 7.237 0.000) 7.237 6.973 ( 0.000 4.528 0.000) 4.528 6.981 ( 0.000 -6.341 0.000) 6.341 7.534 ( 0.000 -10.996 0.000) 10.996 7.860 ( 0.000 4.177 0.000) 4.177 7.904 ( 0.000 -0.753 0.000) 0.753 8.410 ( 0.000 11.054 0.000) 11.054 8.968 ( 0.000 12.950 0.000) 12.950 9.648 ( 0.000 -27.228 0.000) 27.228 10.185 ( 0.000 -23.960 0.000) 23.960 10.475 ( 0.000 7.464 0.000) 7.464 10.621 ( 0.000 10.752 0.000) 10.752 10.778 ( 0.000 -6.295 0.000) 6.295 11.027 ( 0.000 -5.771 0.000) 5.771 11.114 ( 0.000 23.177 0.000) 23.177 11.887 ( 0.000 5.504 0.000) 5.504 12.207 ( 0.000 3.491 0.000) 3.491 12.225 ( 0.000 4.793 0.000) 4.793 12.347 ( 0.000 6.532 0.000) 6.532 12.702 ( 0.000 4.305 0.000) 4.305 12.802 ( 0.000 1.086 0.000) 1.086 12.883 ( 0.000 -7.405 0.000) 7.405 13.225 ( 0.000 3.216 0.000) 3.216 13.358 ( 0.000 8.876 0.000) 8.876 13.771 ( 0.000 -11.752 0.000) 11.752 13.915 ( 0.000 -12.486 0.000) 12.486 14.181 ( 0.000 -8.401 0.000) 8.401 14.186 ( 0.000 4.654 0.000) 4.654 14.253 ( 0.000 -11.712 0.000) 11.712 14.373 ( 0.000 0.629 0.000) 0.629 15.489 ( 0.000 26.157 0.000) 26.157 15.884 ( 0.000 14.284 0.000) 14.284 15.939 ( 0.000 8.993 0.000) 8.993 16.003 ( 0.000 -0.958 0.000) 0.958 16.169 ( 0.000 -5.429 0.000) 5.429 16.598 ( 0.000 -4.848 0.000) 4.848 16.864 ( 0.000 -12.523 0.000) 12.523 17.744 ( 0.000 -36.831 0.000) 36.831 17.933 ( 0.000 9.371 0.000) 9.371 18.388 ( 0.000 4.396 0.000) 4.396 18.602 ( 0.000 -6.544 0.000) 6.544 18.850 ( 0.000 -17.517 0.000) 17.517 18.875 ( 0.000 6.049 0.000) 6.049 19.383 ( 0.000 -8.252 0.000) 8.252 20.871 ( 0.000 27.429 0.000) 27.429 21.257 ( 0.000 16.016 0.000) 16.016 21.704 ( 0.000 -0.021 0.000) 0.021 22.139 ( 0.000 -13.916 0.000) 13.916 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 3.182 34.987 0.000) 35.131 1.675 ( 11.443 31.098 0.000) 33.136 2.790 ( 22.545 42.134 0.000) 47.787 2.968 ( 0.451 -8.064 0.000) 8.077 3.113 ( 0.459 -12.831 0.000) 12.840 3.449 ( 0.500 2.696 0.000) 2.741 3.798 ( -2.974 -1.342 0.000) 3.263 3.980 ( -6.400 -7.724 0.000) 10.031 4.148 ( -1.872 4.980 0.000) 5.320 4.291 ( -1.662 -1.654 0.000) 2.345 4.574 ( -5.378 -5.736 0.000) 7.863 4.793 ( -8.077 -11.047 0.000) 13.685 6.596 ( 9.435 6.599 0.000) 11.514 7.041 ( 5.577 -5.706 0.000) 7.979 7.073 ( 7.293 12.624 0.000) 14.579 7.631 ( 1.015 0.595 0.000) 1.177 7.819 ( 9.663 -6.657 0.000) 11.734 8.016 ( 6.001 -2.834 0.000) 6.637 8.392 ( 3.184 10.184 0.000) 10.670 8.955 ( -1.248 11.966 0.000) 12.031 9.622 ( -2.116 -25.728 0.000) 25.815 9.964 ( -17.197 -15.410 0.000) 23.091 10.468 ( -0.495 3.528 0.000) 3.562 10.726 ( 5.592 5.268 0.000) 7.682 10.747 ( -2.489 -5.660 0.000) 6.184 11.001 ( -3.406 1.579 0.000) 3.755 11.069 ( -2.649 13.521 0.000) 13.779 11.717 ( -10.589 3.312 0.000) 11.095 12.242 ( 2.594 3.985 0.000) 4.755 12.404 ( 11.150 6.834 0.000) 13.078 12.446 ( 7.231 3.276 0.000) 7.938 12.670 ( -2.483 6.455 0.000) 6.916 12.874 ( -1.297 -5.952 0.000) 6.092 12.988 ( 15.652 3.665 0.000) 16.076 13.384 ( 2.388 8.921 0.000) 9.235 13.425 ( 16.662 1.418 0.000) 16.722 13.741 ( -2.434 -12.056 0.000) 12.299 13.941 ( 1.804 -11.949 0.000) 12.084 14.093 ( -7.575 -9.373 0.000) 12.051 14.249 ( -0.126 -10.102 0.000) 10.103 14.395 ( 18.327 3.963 0.000) 18.751 14.525 ( 14.313 0.824 0.000) 14.337 15.511 ( 0.779 22.321 0.000) 22.335 15.644 ( -9.929 12.277 0.000) 15.789 16.011 ( -2.964 -1.532 0.000) 3.337 16.018 ( -15.144 -5.733 0.000) 16.193 16.061 ( -6.365 -4.210 0.000) 7.631 16.388 ( 6.267 14.090 0.000) 15.421 17.241 ( 20.891 -13.105 0.000) 24.661 17.776 ( 3.055 -36.677 0.000) 36.804 17.882 ( -7.605 6.934 0.000) 10.292 18.210 ( -9.993 5.500 0.000) 11.407 18.556 ( -4.432 -12.245 0.000) 13.022 18.773 ( -9.776 6.029 0.000) 11.486 18.907 ( 1.646 -17.148 0.000) 17.226 19.277 ( -9.974 -8.106 0.000) 12.852 20.944 ( 6.904 25.720 0.000) 26.631 21.291 ( 3.149 15.613 0.000) 15.928 21.719 ( 1.276 0.236 0.000) 1.298 22.077 ( -4.951 -8.859 0.000) 10.149 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 14.948 19.268 0.000) 24.386 1.985 ( 17.155 21.084 0.000) 27.181 2.983 ( 1.021 -7.609 0.000) 7.677 3.077 ( 3.938 1.865 0.000) 4.357 3.283 ( 13.719 7.233 0.000) 15.509 3.464 ( 0.738 -1.341 0.000) 1.531 3.691 ( -7.259 -3.592 0.000) 8.099 3.804 ( -9.704 -8.749 0.000) 13.066 4.093 ( -3.322 5.524 0.000) 6.446 4.250 ( -2.107 0.744 0.000) 2.235 4.420 ( -8.852 -2.938 0.000) 9.326 4.583 ( -10.989 -4.000 0.000) 11.695 6.870 ( 16.165 4.803 0.000) 16.863 7.155 ( 1.138 25.885 0.000) 25.910 7.197 ( 8.842 -3.669 0.000) 9.573 7.750 ( 12.684 -1.414 0.000) 12.762 8.037 ( 6.198 -0.485 0.000) 6.217 8.225 ( 14.064 -6.934 0.000) 15.681 8.679 ( 23.646 -0.940 0.000) 23.664 8.913 ( -2.853 8.355 0.000) 8.829 9.553 ( -21.184 -8.825 0.000) 22.949 9.605 ( 2.455 -19.562 0.000) 19.715 10.435 ( -3.128 -0.125 0.000) 3.131 10.719 ( 0.893 -5.320 0.000) 5.394 10.738 ( -6.376 8.031 0.000) 10.255 10.884 ( -5.441 9.233 0.000) 10.717 11.038 ( -1.372 2.519 0.000) 2.869 11.560 ( -3.609 -0.933 0.000) 3.727 12.215 ( -6.092 13.382 0.000) 14.703 12.503 ( -5.930 9.328 0.000) 11.054 12.673 ( 12.793 7.280 0.000) 14.720 12.684 ( 6.756 -8.088 0.000) 10.539 12.866 ( 2.615 -5.954 0.000) 6.503 13.315 ( 12.791 3.178 0.000) 13.180 13.454 ( 4.320 8.633 0.000) 9.654 13.639 ( -2.152 -3.818 0.000) 4.382 13.857 ( 19.625 2.868 0.000) 19.834 13.866 ( -10.182 -5.948 0.000) 11.793 13.992 ( 0.167 -12.157 0.000) 12.158 14.279 ( 3.198 -10.116 0.000) 10.610 14.890 ( 25.463 0.833 0.000) 25.477 14.909 ( 21.595 2.705 0.000) 21.764 15.324 ( -17.507 0.921 0.000) 17.531 15.610 ( -10.196 4.684 0.000) 11.220 15.658 ( 2.215 20.025 0.000) 20.147 15.728 ( -17.413 3.225 0.000) 17.709 16.099 ( 6.069 -7.455 0.000) 9.613 16.692 ( 17.766 13.999 0.000) 22.618 17.565 ( -19.781 6.492 0.000) 20.819 17.620 ( 14.617 -13.051 0.000) 19.595 17.869 ( 5.804 -36.146 0.000) 36.609 18.110 ( -1.815 8.797 0.000) 8.982 18.442 ( -6.150 -25.227 0.000) 25.966 18.474 ( -18.489 5.845 0.000) 19.391 18.845 ( -7.417 -15.606 0.000) 17.279 18.974 ( -18.855 -7.987 0.000) 20.477 21.143 ( 11.431 20.599 0.000) 23.559 21.381 ( 5.241 14.494 0.000) 15.413 21.748 ( 1.296 1.065 0.000) 1.677 21.969 ( -5.069 -2.349 0.000) 5.586 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 18.056 5.191 0.000) 18.787 2.350 ( 16.817 11.130 0.000) 20.166 3.012 ( 1.834 -7.390 0.000) 7.615 3.168 ( 5.111 -5.671 0.000) 7.635 3.422 ( -0.571 4.493 0.000) 4.529 3.446 ( -4.074 -5.246 0.000) 6.642 3.507 ( -9.353 -9.346 0.000) 13.222 3.621 ( -6.242 -8.242 0.000) 10.339 4.018 ( -3.402 5.187 0.000) 6.203 4.190 ( -4.296 2.226 0.000) 4.839 4.243 ( -6.927 -0.281 0.000) 6.933 4.370 ( -8.771 0.739 0.000) 8.802 7.223 ( 6.080 22.795 0.000) 23.592 7.236 ( 17.555 2.330 0.000) 17.709 7.386 ( 9.009 0.153 0.000) 9.010 7.984 ( 4.941 -2.132 0.000) 5.381 8.161 ( 7.408 0.937 0.000) 7.467 8.553 ( 16.945 -1.302 0.000) 16.995 8.821 ( -7.119 2.126 0.000) 7.429 9.133 ( -16.841 -3.967 0.000) 17.302 9.163 ( 18.325 -7.206 0.000) 19.691 9.862 ( 24.720 -9.700 0.000) 26.555 10.373 ( -1.081 3.295 0.000) 3.468 10.482 ( -16.645 13.275 0.000) 21.291 10.744 ( -9.075 4.744 0.000) 10.240 10.794 ( 5.934 -7.375 0.000) 9.465 11.042 ( 1.960 3.828 0.000) 4.301 11.503 ( -4.985 -2.551 0.000) 5.600 12.042 ( -9.136 18.166 0.000) 20.334 12.203 ( -18.936 9.749 0.000) 21.298 12.797 ( 4.550 -8.707 0.000) 9.824 12.896 ( -2.156 -10.911 0.000) 11.122 13.039 ( 18.816 -2.198 0.000) 18.944 13.482 ( 3.753 -9.328 0.000) 10.055 13.518 ( -0.043 5.267 0.000) 5.267 13.620 ( 2.620 14.105 0.000) 14.346 13.761 ( 1.991 3.577 0.000) 4.094 13.994 ( 1.870 -12.271 0.000) 12.412 14.311 ( 22.082 5.296 0.000) 22.708 14.334 ( -1.009 -11.686 0.000) 11.729 14.932 ( -14.636 5.693 0.000) 15.704 15.146 ( 1.925 1.201 0.000) 2.269 15.193 ( -16.041 0.048 0.000) 16.041 15.396 ( -9.724 -0.466 0.000) 9.735 15.694 ( 30.845 9.283 0.000) 32.211 15.860 ( 13.322 26.199 0.000) 29.391 16.376 ( 19.980 -8.341 0.000) 21.651 17.084 ( 19.424 5.881 0.000) 20.295 17.158 ( -16.888 9.648 0.000) 19.449 17.768 ( -7.710 -6.752 0.000) 10.249 17.994 ( 2.076 -22.413 0.000) 22.509 18.056 ( -4.685 2.069 0.000) 5.121 18.098 ( -6.550 -9.832 0.000) 11.814 18.301 ( -7.113 -25.278 0.000) 26.260 18.505 ( -25.218 -8.824 0.000) 26.717 18.638 ( -11.076 -16.108 0.000) 19.549 21.387 ( 11.229 14.370 0.000) 18.237 21.501 ( 6.137 12.634 0.000) 14.046 21.760 ( -0.482 2.637 0.000) 2.681 21.865 ( -4.999 2.398 0.000) 5.545 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 13.127 -1.748 0.000) 13.243 2.626 ( 6.865 1.385 0.000) 7.003 3.060 ( 3.255 -2.376 0.000) 4.029 3.192 ( -6.840 4.857 0.000) 8.389 3.326 ( -3.997 -10.433 0.000) 11.172 3.328 ( -2.531 -21.404 0.000) 21.553 3.423 ( 1.944 2.067 0.000) 2.837 3.524 ( -5.018 -5.158 0.000) 7.196 3.989 ( 1.453 3.725 0.000) 3.999 4.074 ( -5.888 2.204 0.000) 6.287 4.167 ( -0.160 0.754 0.000) 0.771 4.225 ( -5.197 1.297 0.000) 5.357 7.376 ( 6.996 15.645 0.000) 17.138 7.446 ( 1.577 6.826 0.000) 7.006 7.655 ( 15.859 -0.470 0.000) 15.866 7.927 ( -8.931 -2.808 0.000) 9.362 8.340 ( 9.408 0.365 0.000) 9.415 8.580 ( -13.596 -0.323 0.000) 13.600 8.827 ( 7.538 -5.968 0.000) 9.614 8.928 ( -4.581 -4.988 0.000) 6.772 9.558 ( 22.775 7.674 0.000) 24.033 10.062 ( -23.229 14.379 0.000) 27.319 10.352 ( 9.412 -0.858 0.000) 9.451 10.537 ( -9.855 4.577 0.000) 10.866 10.595 ( 30.491 0.941 0.000) 30.506 10.948 ( 8.268 -7.732 0.000) 11.320 11.053 ( -3.531 -2.826 0.000) 4.523 11.232 ( -21.915 -1.622 0.000) 21.975 11.873 ( -5.866 18.735 0.000) 19.632 11.877 ( -8.448 14.485 0.000) 16.768 12.832 ( -1.672 -15.815 0.000) 15.903 12.834 ( -0.524 -14.511 0.000) 14.521 13.400 ( 13.050 -1.977 0.000) 13.199 13.504 ( -0.858 6.312 0.000) 6.370 13.545 ( 4.294 -3.730 0.000) 5.687 13.711 ( -7.874 -3.724 0.000) 8.711 13.775 ( 12.570 10.020 0.000) 16.075 14.114 ( -17.263 -2.997 0.000) 17.522 14.232 ( 19.220 -4.785 0.000) 19.807 14.644 ( -8.139 -11.263 0.000) 13.896 14.822 ( 2.197 15.579 0.000) 15.733 14.864 ( 5.189 4.476 0.000) 6.853 15.075 ( -6.637 3.770 0.000) 7.633 15.158 ( -12.930 5.388 0.000) 14.008 16.187 ( 17.278 20.766 0.000) 27.014 16.461 ( 38.028 6.721 0.000) 38.617 16.533 ( -12.119 11.168 0.000) 16.480 17.201 ( 25.925 -4.710 0.000) 26.350 17.228 ( -33.314 4.051 0.000) 33.560 17.498 ( 18.209 -3.015 0.000) 18.457 17.831 ( -28.213 -9.931 0.000) 29.910 17.859 ( -14.382 -10.761 0.000) 17.962 18.082 ( 2.929 -6.439 0.000) 7.074 18.172 ( -4.973 -7.267 0.000) 8.806 18.259 ( 6.538 -29.575 0.000) 30.289 18.426 ( -8.978 -24.661 0.000) 26.245 21.590 ( 7.846 9.121 0.000) 12.032 21.629 ( 5.796 9.884 0.000) 11.458 21.718 ( -3.547 5.253 0.000) 6.338 21.756 ( -5.428 6.400 0.000) 8.392 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 0.000 29.262 0.000) 29.262 2.306 ( 0.000 29.753 0.000) 29.753 2.673 ( 0.000 -20.624 0.000) 20.624 2.795 ( 0.000 -20.436 0.000) 20.436 3.375 ( 0.000 34.197 0.000) 34.197 3.612 ( 0.000 11.392 0.000) 11.392 3.767 ( 0.000 -7.974 0.000) 7.974 3.847 ( 0.000 -12.079 0.000) 12.079 4.311 ( 0.000 8.579 0.000) 8.579 4.316 ( 0.000 4.739 0.000) 4.739 4.479 ( 0.000 -8.520 0.000) 8.520 4.551 ( 0.000 -17.771 0.000) 17.771 6.656 ( 0.000 9.034 0.000) 9.034 6.832 ( 0.000 -8.707 0.000) 8.707 7.102 ( 0.000 8.725 0.000) 8.725 7.305 ( 0.000 -11.814 0.000) 11.814 7.923 ( 0.000 1.452 0.000) 1.452 7.923 ( 0.000 1.786 0.000) 1.786 8.675 ( 0.000 17.367 0.000) 17.367 9.105 ( 0.000 -26.486 0.000) 26.486 9.286 ( 0.000 19.625 0.000) 19.625 9.713 ( 0.000 -23.825 0.000) 23.825 10.605 ( 0.000 5.609 0.000) 5.609 10.692 ( 0.000 -3.740 0.000) 3.740 10.796 ( 0.000 7.377 0.000) 7.377 10.919 ( 0.000 -5.615 0.000) 5.615 11.580 ( 0.000 21.886 0.000) 21.886 11.874 ( 0.000 -7.606 0.000) 7.606 12.288 ( 0.000 4.526 0.000) 4.526 12.365 ( 0.000 -2.773 0.000) 2.773 12.386 ( 0.000 12.059 0.000) 12.059 12.666 ( 0.000 -14.685 0.000) 14.685 12.794 ( 0.000 3.421 0.000) 3.421 12.819 ( 0.000 0.329 0.000) 0.329 13.336 ( 0.000 8.485 0.000) 8.485 13.539 ( 0.000 9.211 0.000) 9.211 13.539 ( 0.000 -11.749 0.000) 11.749 13.705 ( 0.000 -8.718 0.000) 8.718 14.042 ( 0.000 -4.401 0.000) 4.401 14.063 ( 0.000 -6.573 0.000) 6.573 14.280 ( 0.000 4.614 0.000) 4.614 14.353 ( 0.000 -2.612 0.000) 2.612 15.996 ( 0.000 18.876 0.000) 18.876 16.007 ( 0.000 1.649 0.000) 1.649 16.068 ( 0.000 -4.502 0.000) 4.502 16.085 ( 0.000 4.710 0.000) 4.710 16.210 ( 0.000 21.182 0.000) 21.182 16.563 ( 0.000 5.319 0.000) 5.319 16.586 ( 0.000 -15.795 0.000) 15.795 17.011 ( 0.000 -36.175 0.000) 36.175 18.145 ( 0.000 12.275 0.000) 12.275 18.400 ( 0.000 -13.393 0.000) 13.393 18.487 ( 0.000 5.690 0.000) 5.690 18.612 ( 0.000 -7.806 0.000) 7.806 19.025 ( 0.000 8.915 0.000) 8.915 19.207 ( 0.000 -9.522 0.000) 9.522 21.378 ( 0.000 24.473 0.000) 24.473 21.519 ( 0.000 10.622 0.000) 10.622 21.665 ( 0.000 -4.474 0.000) 4.474 21.810 ( 0.000 -19.824 0.000) 19.824 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 5.456 26.827 0.000) 27.377 2.280 ( -1.286 30.141 0.000) 30.169 2.696 ( 2.154 -19.259 0.000) 19.379 2.783 ( -0.815 -21.433 0.000) 21.448 3.454 ( 5.602 24.442 0.000) 25.076 3.576 ( -3.170 9.468 0.000) 9.984 3.734 ( -3.230 -6.594 0.000) 7.342 3.783 ( -5.798 -11.135 0.000) 12.554 4.287 ( -2.280 8.094 0.000) 8.409 4.324 ( 0.691 6.415 0.000) 6.452 4.443 ( -3.523 -7.643 0.000) 8.416 4.541 ( -1.388 -13.976 0.000) 14.045 6.744 ( 8.166 8.307 0.000) 11.649 6.905 ( 6.838 -7.999 0.000) 10.523 7.273 ( 15.247 10.115 0.000) 18.297 7.491 ( 16.094 -11.819 0.000) 19.968 7.870 ( -2.040 7.155 0.000) 7.440 7.971 ( 2.358 -3.026 0.000) 3.837 8.654 ( 0.411 17.710 0.000) 17.714 9.091 ( -0.285 -26.628 0.000) 26.630 9.243 ( -4.251 17.343 0.000) 17.856 9.609 ( -9.608 -19.626 0.000) 21.852 10.562 ( -3.307 5.327 0.000) 6.270 10.658 ( -2.825 -4.448 0.000) 5.269 10.829 ( 2.368 4.877 0.000) 5.422 10.919 ( 0.269 -4.616 0.000) 4.624 11.470 ( -9.132 19.190 0.000) 21.251 11.712 ( -11.430 -5.226 0.000) 12.568 12.316 ( 3.803 4.062 0.000) 5.564 12.401 ( 4.245 -4.418 0.000) 6.127 12.544 ( 10.702 7.948 0.000) 13.330 12.722 ( 3.580 -9.522 0.000) 10.173 12.884 ( 2.769 10.975 0.000) 11.319 13.015 ( 13.540 -1.943 0.000) 13.679 13.446 ( 13.478 1.684 0.000) 13.583 13.535 ( 2.096 -8.147 0.000) 8.413 13.561 ( 1.727 8.877 0.000) 9.044 13.731 ( 1.809 -9.226 0.000) 9.401 13.968 ( -5.453 -1.498 0.000) 5.655 14.055 ( -0.880 -8.854 0.000) 8.897 14.472 ( 16.949 3.535 0.000) 17.314 14.521 ( 15.293 -1.379 0.000) 15.355 15.724 ( -16.793 7.941 0.000) 18.576 15.879 ( -20.201 -7.821 0.000) 21.662 15.980 ( -2.571 -0.799 0.000) 2.692 15.995 ( -6.487 -2.296 0.000) 6.882 16.205 ( 3.758 35.913 0.000) 36.109 16.696 ( 13.684 16.880 0.000) 21.730 16.889 ( 14.413 -27.799 0.000) 31.314 17.086 ( 8.483 -27.846 0.000) 29.110 18.047 ( -10.582 9.554 0.000) 14.257 18.222 ( -10.150 -6.617 0.000) 12.116 18.459 ( -5.655 4.105 0.000) 6.988 18.626 ( 0.027 -11.758 0.000) 11.758 18.923 ( -9.759 8.904 0.000) 13.210 19.104 ( -9.823 -9.453 0.000) 13.633 21.419 ( 3.828 22.812 0.000) 23.130 21.546 ( 2.458 10.266 0.000) 10.557 21.685 ( 1.826 -4.155 0.000) 4.538 21.814 ( 0.360 -17.446 0.000) 17.450 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 3.677 25.988 0.000) 26.247 2.398 ( 8.797 20.588 0.000) 22.389 2.756 ( 3.313 -15.601 0.000) 15.949 2.781 ( 1.155 -22.366 0.000) 22.396 3.497 ( -4.105 4.638 0.000) 6.193 3.526 ( 0.353 8.780 0.000) 8.787 3.629 ( -6.857 -3.274 0.000) 7.599 3.629 ( -8.258 -8.487 0.000) 11.842 4.217 ( -4.288 6.664 0.000) 7.924 4.331 ( -0.744 7.075 0.000) 7.114 4.337 ( -6.276 -5.439 0.000) 8.305 4.477 ( -4.843 -6.907 0.000) 8.435 6.980 ( 13.904 6.278 0.000) 15.256 7.102 ( 11.458 -5.925 0.000) 12.899 7.592 ( 8.026 17.736 0.000) 19.467 7.774 ( 9.684 0.369 0.000) 9.691 8.006 ( 13.497 -2.250 0.000) 13.683 8.056 ( 11.448 -7.961 0.000) 13.944 8.795 ( 14.316 13.202 0.000) 19.474 9.108 ( -8.505 11.426 0.000) 14.244 9.165 ( 9.532 -23.199 0.000) 25.081 9.341 ( -15.126 -12.109 0.000) 19.376 10.496 ( -2.537 5.258 0.000) 5.838 10.609 ( -0.956 -5.974 0.000) 6.050 10.845 ( -1.864 4.502 0.000) 4.872 10.928 ( -0.791 -3.487 0.000) 3.576 11.267 ( -8.719 16.325 0.000) 18.507 11.502 ( -7.497 -6.810 0.000) 10.128 12.406 ( 2.492 7.192 0.000) 7.611 12.534 ( 6.633 -6.673 0.000) 9.408 12.661 ( -4.151 6.327 0.000) 7.567 12.761 ( 0.749 -4.766 0.000) 4.824 12.898 ( 2.865 14.179 0.000) 14.465 13.179 ( 2.601 -13.498 0.000) 13.747 13.595 ( 1.449 5.821 0.000) 5.999 13.714 ( 13.365 8.362 0.000) 15.765 13.735 ( -0.971 -8.608 0.000) 8.662 13.850 ( 21.227 -4.266 0.000) 21.652 13.885 ( -1.298 4.337 0.000) 4.527 14.063 ( 1.933 -11.451 0.000) 11.614 14.911 ( 21.745 1.267 0.000) 21.782 14.930 ( 21.925 -0.350 0.000) 21.928 15.376 ( -16.590 4.456 0.000) 17.178 15.489 ( -14.614 -6.911 0.000) 16.166 15.817 ( -7.894 5.981 0.000) 9.904 15.952 ( 1.434 -7.556 0.000) 7.691 16.312 ( 6.445 37.202 0.000) 37.756 16.944 ( 8.820 -1.597 0.000) 8.963 17.154 ( 13.609 -21.483 0.000) 25.431 17.350 ( 13.782 -16.002 0.000) 21.119 17.735 ( -17.135 11.195 0.000) 20.467 18.009 ( -11.387 -17.161 0.000) 20.595 18.323 ( -6.305 10.829 0.000) 12.531 18.561 ( -6.279 -13.506 0.000) 14.895 18.624 ( -18.645 8.854 0.000) 20.640 18.803 ( -18.818 -9.328 0.000) 21.003 21.526 ( 5.987 18.143 0.000) 19.106 21.614 ( 3.862 9.180 0.000) 9.959 21.733 ( 2.506 -3.144 0.000) 4.021 21.824 ( 0.509 -11.990 0.000) 12.000 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 8.728 18.045 0.000) 20.045 2.586 ( 8.418 12.727 0.000) 15.258 2.826 ( 3.360 -11.514 0.000) 11.995 2.840 ( 4.159 -22.035 0.000) 22.424 3.402 ( -5.691 1.055 0.000) 5.788 3.459 ( -8.824 1.026 0.000) 8.884 3.476 ( -4.289 0.302 0.000) 4.299 3.477 ( -5.183 -6.156 0.000) 8.047 4.122 ( -4.229 5.128 0.000) 6.647 4.206 ( -5.387 -3.324 0.000) 6.330 4.268 ( -5.226 4.951 0.000) 7.199 4.349 ( -6.872 -2.888 0.000) 7.454 7.296 ( 15.459 3.529 0.000) 15.857 7.360 ( 12.715 -2.683 0.000) 12.995 7.642 ( 1.196 18.646 0.000) 18.684 7.899 ( 0.677 -7.845 0.000) 7.874 8.230 ( 10.654 6.760 0.000) 12.618 8.418 ( 14.512 -11.093 0.000) 18.266 8.897 ( -11.724 5.478 0.000) 12.941 9.021 ( -14.281 -6.786 0.000) 15.811 9.232 ( 26.430 13.279 0.000) 29.578 9.567 ( 28.532 -18.528 0.000) 34.020 10.486 ( 2.577 7.450 0.000) 7.883 10.641 ( 4.300 -8.189 0.000) 9.249 10.717 ( -10.883 9.151 0.000) 14.219 10.818 ( -9.309 -0.282 0.000) 9.314 11.151 ( -3.624 10.440 0.000) 11.051 11.385 ( -6.140 -10.270 0.000) 11.965 12.362 ( -5.773 14.435 0.000) 15.546 12.420 ( -15.150 12.381 0.000) 19.566 12.603 ( -0.433 -10.859 0.000) 10.867 12.668 ( -9.106 -12.596 0.000) 15.543 13.085 ( 13.500 6.214 0.000) 14.861 13.260 ( 6.923 -11.176 0.000) 13.146 13.622 ( 1.572 6.516 0.000) 6.703 13.782 ( 0.797 -9.337 0.000) 9.371 13.890 ( 5.131 8.951 0.000) 10.318 13.948 ( 7.847 17.369 0.000) 19.060 14.100 ( 0.446 -11.941 0.000) 11.950 14.243 ( 14.609 -11.268 0.000) 18.450 15.082 ( -9.691 9.398 0.000) 13.499 15.163 ( -0.621 2.650 0.000) 2.722 15.209 ( 0.078 -1.072 0.000) 1.075 15.274 ( -7.166 -9.515 0.000) 11.912 15.932 ( 24.700 14.092 0.000) 28.437 16.189 ( 22.986 -11.487 0.000) 25.696 16.475 ( 9.094 34.987 0.000) 36.149 17.101 ( 7.054 -18.718 0.000) 20.003 17.384 ( -15.705 14.651 0.000) 21.478 17.452 ( 13.764 -8.163 0.000) 16.003 17.586 ( 7.004 -11.317 0.000) 13.309 17.753 ( -12.446 -23.296 0.000) 26.412 18.172 ( -22.628 7.292 0.000) 23.774 18.199 ( -5.841 7.107 0.000) 9.199 18.332 ( -25.554 -8.851 0.000) 27.043 18.379 ( -10.685 -11.198 0.000) 15.478 21.651 ( 5.608 12.046 0.000) 13.288 21.698 ( 3.904 7.216 0.000) 8.205 21.778 ( 1.610 -1.257 0.000) 2.042 21.830 ( -0.065 -5.864 0.000) 5.865 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 8.048 10.364 0.000) 13.122 2.703 ( 1.429 7.125 0.000) 7.267 2.898 ( 3.401 -11.978 0.000) 12.451 2.920 ( 2.216 -19.224 0.000) 19.351 3.283 ( -4.007 4.528 0.000) 6.046 3.296 ( -5.475 5.615 0.000) 7.843 3.396 ( -2.196 -4.102 0.000) 4.653 3.404 ( -2.383 -6.891 0.000) 7.291 4.075 ( 0.472 4.541 0.000) 4.566 4.144 ( -5.559 4.280 0.000) 7.015 4.147 ( 0.227 -2.599 0.000) 2.609 4.213 ( -5.545 -2.343 0.000) 6.020 7.560 ( 8.609 4.802 0.000) 9.858 7.630 ( 12.765 -2.343 0.000) 12.978 7.656 ( -0.956 12.270 0.000) 12.308 7.838 ( -6.537 -6.665 0.000) 9.336 8.419 ( 8.566 7.955 0.000) 11.690 8.628 ( 7.145 -12.344 0.000) 14.263 8.633 ( -12.239 5.806 0.000) 13.547 8.783 ( -8.749 -8.715 0.000) 12.349 9.845 ( 29.907 19.095 0.000) 35.483 10.199 ( 26.649 -14.987 0.000) 30.574 10.387 ( -20.904 16.339 0.000) 26.531 10.584 ( -13.078 -2.323 0.000) 13.282 10.655 ( 15.439 5.816 0.000) 16.498 10.795 ( 10.445 -7.906 0.000) 13.100 11.009 ( -11.289 0.738 0.000) 11.313 11.120 ( -19.810 -8.480 0.000) 21.549 12.191 ( -4.169 17.052 0.000) 17.554 12.228 ( -5.734 17.451 0.000) 18.369 12.519 ( -2.722 -16.531 0.000) 16.754 12.546 ( -3.645 -15.388 0.000) 15.814 13.386 ( 14.009 1.646 0.000) 14.105 13.457 ( 10.646 -4.977 0.000) 11.752 13.610 ( -5.069 3.936 0.000) 6.418 13.661 ( -9.153 -1.565 0.000) 9.285 14.043 ( 1.866 16.416 0.000) 16.521 14.066 ( -0.497 0.639 0.000) 0.809 14.144 ( 13.066 -5.424 0.000) 14.147 14.369 ( -4.180 -16.305 0.000) 16.832 15.003 ( 1.469 8.793 0.000) 8.915 15.062 ( -2.874 8.125 0.000) 8.618 15.130 ( -4.660 0.615 0.000) 4.701 15.152 ( -4.902 -5.166 0.000) 7.122 16.613 ( 34.775 9.609 0.000) 36.078 16.684 ( 10.301 29.278 0.000) 31.037 16.736 ( 19.207 2.660 0.000) 19.390 17.155 ( 1.010 6.785 0.000) 6.859 17.211 ( -4.738 -16.975 0.000) 17.624 17.413 ( -15.607 1.150 0.000) 15.649 17.510 ( -10.387 -23.573 0.000) 25.760 17.568 ( -16.517 -13.666 0.000) 21.438 17.913 ( -0.129 -3.413 0.000) 3.416 17.960 ( 3.665 -5.595 0.000) 6.688 18.069 ( -6.873 -0.828 0.000) 6.922 18.135 ( -12.018 -7.141 0.000) 13.980 21.747 ( 3.365 6.365 0.000) 7.200 21.769 ( 2.610 4.220 0.000) 4.962 21.792 ( -0.342 1.698 0.000) 1.732 21.816 ( -1.342 -0.375 0.000) 1.393 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.000 0.000 35.282) 35.282 0.816 ( 0.000 0.000 41.066) 41.066 1.303 ( 0.000 0.000 64.445) 64.445 3.016 ( 0.000 0.000 3.073) 3.073 3.357 ( 0.000 0.000 0.993) 0.993 3.378 ( 0.000 0.000 -9.816) 9.816 3.810 ( 0.000 0.000 -0.549) 0.549 3.981 ( 0.000 0.000 -1.519) 1.519 4.251 ( 0.000 0.000 -3.316) 3.316 4.336 ( 0.000 0.000 -5.185) 5.185 4.767 ( 0.000 0.000 -1.256) 1.256 5.025 ( 0.000 0.000 -13.635) 13.635 6.266 ( 0.000 0.000 3.716) 3.716 6.967 ( 0.000 0.000 6.044) 6.044 7.267 ( 0.000 0.000 15.441) 15.441 7.834 ( 0.000 0.000 9.449) 9.449 7.868 ( 0.000 0.000 6.782) 6.782 7.926 ( 0.000 0.000 -7.759) 7.759 8.178 ( 0.000 0.000 -0.918) 0.918 8.748 ( 0.000 0.000 1.866) 1.866 10.093 ( 0.000 0.000 -9.070) 9.070 10.223 ( 0.000 0.000 -9.846) 9.846 10.239 ( 0.000 0.000 -4.306) 4.306 10.614 ( 0.000 0.000 0.969) 0.969 10.781 ( 0.000 0.000 -4.629) 4.629 11.264 ( 0.000 0.000 4.393) 4.393 11.362 ( 0.000 0.000 -5.560) 5.560 11.549 ( 0.000 0.000 -3.276) 3.276 12.025 ( 0.000 0.000 14.561) 14.561 12.149 ( 0.000 0.000 -3.880) 3.880 12.293 ( 0.000 0.000 13.908) 13.908 12.646 ( 0.000 0.000 -1.411) 1.411 12.742 ( 0.000 0.000 0.827) 0.827 13.222 ( 0.000 0.000 6.687) 6.687 13.229 ( 0.000 0.000 -1.057) 1.057 13.266 ( 0.000 0.000 8.504) 8.504 13.625 ( 0.000 0.000 -9.048) 9.048 14.082 ( 0.000 0.000 -1.104) 1.104 14.098 ( 0.000 0.000 -0.205) 0.205 14.215 ( 0.000 0.000 -5.363) 5.363 14.385 ( 0.000 0.000 -2.776) 2.776 14.633 ( 0.000 0.000 7.325) 7.325 14.994 ( 0.000 0.000 15.169) 15.169 15.558 ( 0.000 0.000 -1.166) 1.166 15.595 ( 0.000 0.000 -9.646) 9.646 15.911 ( 0.000 0.000 -29.960) 29.960 16.014 ( 0.000 0.000 -4.056) 4.056 16.786 ( 0.000 0.000 10.527) 10.527 17.454 ( 0.000 0.000 24.706) 24.706 18.191 ( 0.000 0.000 -6.762) 6.762 18.261 ( 0.000 0.000 -25.861) 25.861 18.671 ( 0.000 0.000 -4.241) 4.241 18.769 ( 0.000 0.000 0.477) 0.477 18.817 ( 0.000 0.000 -2.504) 2.504 19.416 ( 0.000 0.000 -2.023) 2.023 19.578 ( 0.000 0.000 -8.084) 8.084 20.188 ( 0.000 0.000 24.866) 24.866 20.788 ( 0.000 0.000 3.036) 3.036 21.685 ( 0.000 0.000 1.457) 1.457 22.078 ( 0.000 0.000 -3.468) 3.468 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 22.589 0.000 20.958) 30.814 1.224 ( 31.630 0.000 25.242) 40.468 1.816 ( 37.920 0.000 45.887) 59.528 3.044 ( 2.587 0.000 2.919) 3.900 3.337 ( -0.087 0.000 -1.744) 1.746 3.405 ( 2.675 0.000 -9.319) 9.696 3.793 ( -3.499 0.000 -2.757) 4.455 3.966 ( -0.282 0.000 0.657) 0.715 4.200 ( -4.667 0.000 -3.303) 5.718 4.300 ( -2.680 0.000 -5.813) 6.401 4.688 ( -7.513 0.000 -0.299) 7.519 4.890 ( -12.200 0.000 -11.587) 16.826 6.320 ( 5.020 0.000 3.886) 6.348 6.625 ( -6.398 0.000 11.232) 12.926 7.308 ( 3.762 0.000 15.488) 15.939 7.824 ( 5.887 0.000 7.370) 9.433 8.001 ( 2.794 0.000 -3.627) 4.578 8.215 ( 24.943 0.000 6.858) 25.869 8.403 ( 7.777 0.000 6.039) 9.846 8.750 ( 0.119 0.000 1.943) 1.946 9.941 ( -8.735 0.000 -11.364) 14.334 10.036 ( -16.414 0.000 -8.006) 18.262 10.439 ( 10.702 0.000 -4.268) 11.522 10.630 ( 1.712 0.000 -0.329) 1.744 10.675 ( -9.026 0.000 -4.809) 10.227 11.218 ( -6.053 0.000 3.661) 7.075 11.421 ( -11.015 0.000 8.473) 13.897 11.427 ( 4.484 0.000 -5.950) 7.450 11.968 ( -4.819 0.000 13.663) 14.488 12.151 ( 2.194 0.000 -4.466) 4.976 12.336 ( 6.965 0.000 3.869) 7.967 12.710 ( 6.600 0.000 -6.530) 9.284 12.837 ( 7.679 0.000 -1.271) 7.784 13.097 ( -5.488 0.000 8.741) 10.321 13.165 ( -1.150 0.000 -1.106) 1.595 13.381 ( 10.397 0.000 9.247) 13.914 13.953 ( 16.548 0.000 -15.166) 22.447 13.954 ( -10.859 0.000 -13.945) 17.674 14.208 ( -0.723 0.000 1.012) 1.244 14.369 ( 15.194 0.000 -9.741) 18.049 14.438 ( 2.148 0.000 -6.242) 6.601 14.736 ( 12.293 0.000 15.696) 19.938 14.932 ( -2.756 0.000 15.576) 15.818 15.558 ( -0.243 0.000 0.292) 0.380 15.695 ( -0.031 0.000 -13.797) 13.797 15.789 ( -11.091 0.000 -25.432) 27.745 16.000 ( 4.874 0.000 -3.616) 6.069 16.573 ( -9.961 0.000 19.880) 22.236 17.735 ( 18.774 0.000 19.712) 27.222 17.785 ( -24.702 0.000 -19.810) 31.665 18.138 ( -11.581 0.000 17.707) 21.158 18.427 ( 2.651 0.000 -6.578) 7.092 18.834 ( 1.095 0.000 -1.409) 1.784 19.252 ( 3.746 0.000 -12.837) 13.372 19.403 ( -1.260 0.000 -1.641) 2.069 19.489 ( -7.097 0.000 -7.924) 10.637 20.319 ( 11.970 0.000 17.725) 21.388 20.810 ( 2.466 0.000 0.946) 2.641 21.686 ( 0.038 0.000 0.699) 0.700 21.881 ( -10.636 0.000 -0.684) 10.658 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 27.284 0.000 5.279) 27.790 1.924 ( 32.968 0.000 12.402) 35.223 2.536 ( 26.352 0.000 29.403) 39.483 3.114 ( 3.689 0.000 2.538) 4.478 3.363 ( 1.390 0.000 -6.552) 6.698 3.491 ( 4.424 0.000 -6.600) 7.946 3.722 ( 0.335 0.000 -5.065) 5.076 3.942 ( -2.782 0.000 3.155) 4.206 4.072 ( -7.024 0.000 -3.269) 7.748 4.228 ( -4.526 0.000 -7.166) 8.476 4.484 ( -10.627 0.000 3.163) 11.088 4.567 ( -17.292 0.000 -7.945) 19.030 6.471 ( 9.410 0.000 4.411) 10.392 6.748 ( 14.836 0.000 -0.132) 14.836 7.406 ( 4.858 0.000 15.062) 15.826 8.029 ( 11.997 0.000 6.808) 13.794 8.070 ( 3.752 0.000 2.379) 4.442 8.490 ( 3.228 0.000 12.783) 13.184 8.777 ( 2.955 0.000 2.645) 3.965 8.857 ( 35.409 0.000 3.546) 35.586 9.609 ( -23.079 0.000 -4.715) 23.556 9.761 ( -8.377 0.000 -11.803) 14.473 10.402 ( -16.534 0.000 -11.547) 20.167 10.609 ( 3.803 0.000 0.056) 3.804 10.694 ( 4.634 0.000 -1.513) 4.875 11.053 ( -7.152 0.000 9.255) 11.697 11.150 ( -13.419 0.000 13.066) 18.729 11.478 ( -0.603 0.000 -6.963) 6.989 11.840 ( -7.660 0.000 11.319) 13.667 12.216 ( -0.164 0.000 -5.643) 5.646 12.553 ( 13.879 0.000 -1.624) 13.973 12.921 ( 12.663 0.000 -10.398) 16.385 12.992 ( 6.009 0.000 -5.775) 8.334 13.050 ( 2.488 0.000 1.929) 3.148 13.170 ( 1.341 0.000 -4.505) 4.700 13.657 ( 6.026 0.000 2.319) 6.457 13.692 ( -2.916 0.000 -5.209) 5.970 14.125 ( -8.326 0.000 2.941) 8.830 14.263 ( 13.383 0.000 -5.088) 14.318 14.537 ( 2.965 0.000 -12.523) 12.869 14.538 ( 6.954 0.000 -10.653) 12.722 15.015 ( 10.290 0.000 17.629) 20.413 15.132 ( 23.337 0.000 20.438) 31.021 15.372 ( -25.523 0.000 -17.633) 31.022 15.516 ( -13.312 0.000 -13.584) 19.019 15.546 ( -0.041 0.000 3.622) 3.623 16.266 ( 13.878 0.000 -4.419) 14.564 16.607 ( 14.972 0.000 17.426) 22.975 17.233 ( -27.388 0.000 -19.861) 33.832 18.041 ( 5.089 0.000 13.883) 14.787 18.115 ( 10.644 0.000 17.844) 20.777 18.328 ( -12.390 0.000 3.332) 12.830 18.872 ( 3.117 0.000 1.148) 3.321 19.041 ( -18.446 0.000 -6.968) 19.718 19.284 ( -14.185 0.000 -0.354) 14.189 19.362 ( -2.678 0.000 -0.712) 2.771 20.643 ( 17.695 0.000 6.088) 18.713 20.893 ( 5.344 0.000 -3.515) 6.396 21.680 ( -0.904 0.000 -1.138) 1.453 21.704 ( -7.226 0.000 -7.327) 10.291 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 25.508 0.000 -2.753) 25.656 2.539 ( 25.097 0.000 5.923) 25.786 2.888 ( 9.540 0.000 14.221) 17.125 3.177 ( 1.684 0.000 2.136) 2.720 3.316 ( -6.161 0.000 -4.346) 7.539 3.521 ( -0.654 0.000 -8.297) 8.323 3.811 ( -2.661 0.000 -5.897) 6.470 3.899 ( 4.505 0.000 5.524) 7.128 3.934 ( -5.450 0.000 -3.240) 6.340 4.114 ( -4.503 0.000 -5.780) 7.327 4.219 ( -15.017 0.000 -5.354) 15.943 4.312 ( -5.299 0.000 8.963) 10.413 6.717 ( 14.212 0.000 5.157) 15.119 7.161 ( 23.276 0.000 -2.896) 23.455 7.469 ( -0.056 0.000 13.447) 13.447 8.132 ( 0.876 0.000 6.409) 6.468 8.273 ( 10.772 0.000 6.951) 12.821 8.607 ( 8.566 0.000 8.709) 12.216 8.868 ( 5.087 0.000 4.823) 7.010 9.117 ( -21.959 0.000 -0.351) 21.962 9.599 ( -6.846 0.000 -11.462) 13.350 9.651 ( 38.677 0.000 -0.662) 38.683 10.017 ( -18.786 0.000 -17.225) 25.487 10.561 ( -6.650 0.000 8.082) 10.466 10.818 ( -13.986 0.000 11.524) 18.122 10.828 ( 8.175 0.000 -1.985) 8.413 11.100 ( 7.358 0.000 9.522) 12.034 11.389 ( -7.833 0.000 -6.418) 10.127 11.612 ( -14.997 0.000 4.561) 15.676 12.040 ( -15.326 0.000 2.543) 15.535 12.903 ( 18.038 0.000 -5.062) 18.735 13.075 ( 2.317 0.000 -8.378) 8.693 13.178 ( 11.632 0.000 -11.307) 16.223 13.203 ( 1.032 0.000 -10.702) 10.751 13.262 ( 16.052 0.000 -9.529) 18.668 13.447 ( -6.470 0.000 -8.999) 11.083 13.892 ( -12.535 0.000 3.086) 12.910 14.068 ( 20.045 0.000 16.236) 25.795 14.491 ( -2.310 0.000 -8.028) 8.353 14.530 ( 11.346 0.000 -0.562) 11.359 14.777 ( 9.836 0.000 -5.344) 11.194 14.777 ( -27.428 0.000 -12.036) 29.952 15.170 ( -7.637 0.000 -10.895) 13.305 15.234 ( -6.224 0.000 15.900) 17.075 15.420 ( 3.380 0.000 2.332) 4.106 15.838 ( 30.059 0.000 18.672) 35.386 16.634 ( 23.976 0.000 -1.397) 24.017 16.667 ( -26.179 0.000 -17.886) 31.706 17.077 ( 26.275 0.000 8.137) 27.506 17.930 ( -24.941 0.000 10.202) 26.947 18.136 ( 5.052 0.000 12.692) 13.660 18.302 ( 4.641 0.000 16.849) 17.477 18.583 ( -23.937 0.000 -5.728) 24.612 18.898 ( -21.953 0.000 4.806) 22.472 18.963 ( 5.311 0.000 1.694) 5.575 19.291 ( -4.054 0.000 0.214) 4.060 21.010 ( 16.680 0.000 -0.990) 16.710 21.029 ( 7.592 0.000 -7.241) 10.491 21.553 ( -7.535 0.000 -10.060) 12.570 21.637 ( -3.432 0.000 -3.105) 4.629 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 21.604 0.000 -5.523) 22.299 2.910 ( -10.548 0.000 -2.206) 10.777 2.953 ( 14.483 0.000 2.873) 14.765 3.151 ( -4.833 0.000 2.008) 5.233 3.248 ( 4.128 0.000 1.762) 4.489 3.413 ( -8.959 0.000 -3.768) 9.719 3.789 ( 2.957 0.000 -7.697) 8.245 3.877 ( 0.571 0.000 -3.379) 3.427 3.883 ( -4.905 0.000 -4.046) 6.358 3.970 ( -8.404 0.000 -3.994) 9.305 4.140 ( 4.324 0.000 7.257) 8.448 4.226 ( -3.848 0.000 11.115) 11.762 7.050 ( 16.805 0.000 6.375) 17.973 7.358 ( -10.935 0.000 9.546) 14.515 7.658 ( 22.689 0.000 0.261) 22.690 8.033 ( -11.646 0.000 4.907) 12.637 8.481 ( 9.852 0.000 7.159) 12.178 8.727 ( -14.787 0.000 4.967) 15.599 8.824 ( 10.226 0.000 4.222) 11.063 8.939 ( 0.055 0.000 4.416) 4.416 9.516 ( 0.692 0.000 -12.187) 12.206 9.671 ( -13.287 0.000 -16.542) 21.218 10.438 ( 35.603 0.000 -4.815) 35.927 10.460 ( -0.677 0.000 11.790) 11.809 10.562 ( -9.617 0.000 11.811) 15.231 11.029 ( 10.727 0.000 -1.785) 10.875 11.087 ( -24.357 0.000 -6.282) 25.154 11.274 ( -13.463 0.000 -0.789) 13.486 11.332 ( 14.082 0.000 7.775) 16.086 11.673 ( -18.036 0.000 6.311) 19.109 13.118 ( 2.416 0.000 -10.636) 10.906 13.178 ( -2.908 0.000 -13.638) 13.944 13.231 ( 11.818 0.000 -9.775) 15.337 13.343 ( 1.932 0.000 -13.558) 13.695 13.450 ( 5.706 0.000 1.360) 5.865 13.634 ( -11.246 0.000 2.726) 11.571 13.670 ( 22.715 0.000 -11.139) 25.299 14.189 ( -26.514 0.000 -10.796) 28.628 14.479 ( 18.312 0.000 13.679) 22.857 14.513 ( 5.466 0.000 -9.550) 11.004 14.680 ( -4.398 0.000 -7.921) 9.060 14.786 ( -9.299 0.000 8.540) 12.626 14.976 ( 1.395 0.000 7.130) 7.265 15.131 ( -8.011 0.000 15.817) 17.730 15.632 ( 18.010 0.000 -11.534) 21.387 16.082 ( -22.209 0.000 -14.291) 26.409 16.601 ( 33.480 0.000 16.520) 37.334 17.225 ( 30.042 0.000 -2.814) 30.174 17.318 ( -32.890 0.000 14.708) 36.029 17.579 ( 13.659 0.000 3.760) 14.168 18.042 ( -14.900 0.000 -0.773) 14.920 18.211 ( -6.140 0.000 12.778) 14.177 18.360 ( -1.317 0.000 12.039) 12.111 18.449 ( -14.677 0.000 9.054) 17.245 19.081 ( 5.692 0.000 1.479) 5.881 19.195 ( -5.132 0.000 0.949) 5.219 21.202 ( 8.770 0.000 -9.491) 12.923 21.317 ( 12.443 0.000 -3.919) 13.045 21.385 ( -8.526 0.000 -10.406) 13.453 21.525 ( -7.526 0.000 -4.293) 8.664 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.000 24.096 24.345) 34.254 1.090 ( 0.000 32.501 21.078) 38.738 1.877 ( 0.000 44.357 44.177) 62.603 3.035 ( 0.000 0.801 2.319) 2.453 3.303 ( 0.000 -5.513 1.170) 5.636 3.352 ( 0.000 -1.729 -8.846) 9.013 3.808 ( 0.000 -0.174 -1.182) 1.194 4.013 ( 0.000 3.459 -1.311) 3.699 4.199 ( 0.000 -4.603 -5.600) 7.249 4.306 ( 0.000 -3.033 -2.869) 4.175 4.727 ( 0.000 -4.043 -1.351) 4.263 4.966 ( 0.000 -6.078 -12.630) 14.016 6.443 ( 0.000 11.179 4.586) 12.083 6.978 ( 0.000 1.279 6.060) 6.193 7.249 ( 0.000 -1.965 16.739) 16.854 7.730 ( 0.000 -6.344 -1.097) 6.438 7.850 ( 0.000 1.581 7.389) 7.556 7.913 ( 0.000 -6.535 0.364) 6.545 8.147 ( 0.000 3.527 -3.441) 4.927 8.805 ( 0.000 5.947 1.907) 6.245 9.955 ( 0.000 -13.579 -10.472) 17.148 10.284 ( 0.000 4.289 -5.408) 6.902 10.338 ( 0.000 9.329 -8.523) 12.636 10.569 ( 0.000 -17.973 -3.883) 18.388 10.711 ( 0.000 9.580 -0.693) 9.605 11.094 ( 0.000 -10.903 8.740) 13.974 11.280 ( 0.000 -8.334 6.725) 10.709 11.596 ( 0.000 7.529 -8.828) 11.603 12.150 ( 0.000 1.311 -3.537) 3.772 12.239 ( 0.000 15.583 12.458) 19.951 12.305 ( 0.000 2.441 13.030) 13.256 12.641 ( 0.000 -0.093 -1.562) 1.565 12.801 ( 0.000 2.490 1.871) 3.114 13.086 ( 0.000 -6.912 5.130) 8.608 13.201 ( 0.000 -0.499 3.364) 3.400 13.345 ( 0.000 6.325 10.902) 12.604 13.768 ( 0.000 -2.009 -15.286) 15.418 14.065 ( 0.000 -2.196 -4.761) 5.243 14.077 ( 0.000 0.579 -5.301) 5.332 14.246 ( 0.000 -5.910 -8.847) 10.639 14.435 ( 0.000 8.621 10.279) 13.415 14.578 ( 0.000 -4.287 11.197) 11.990 15.114 ( 0.000 13.227 7.935) 15.425 15.567 ( 0.000 0.783 -6.289) 6.338 15.661 ( 0.000 5.341 -12.324) 13.432 15.889 ( 0.000 -1.500 -27.329) 27.371 16.083 ( 0.000 5.663 -1.270) 5.804 16.735 ( 0.000 -4.613 10.234) 11.225 17.381 ( 0.000 -7.418 24.137) 25.251 18.180 ( 0.000 -3.627 4.280) 5.611 18.226 ( 0.000 -7.686 -17.169) 18.811 18.354 ( 0.000 -14.979 15.609) 21.633 18.591 ( 0.000 -15.236 -9.965) 18.205 18.654 ( 0.000 -3.308 -3.579) 4.873 19.340 ( 0.000 -17.297 1.021) 17.328 19.374 ( 0.000 -4.613 -10.491) 11.460 20.483 ( 0.000 23.184 15.087) 27.661 20.959 ( 0.000 15.125 2.571) 15.342 21.699 ( 0.000 1.256 1.291) 1.801 22.199 ( 0.000 2.050 -9.267) 9.491 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 15.118 23.598 18.216) 33.425 1.284 ( 23.555 14.710 20.398) 34.457 2.266 ( 29.847 35.893 32.398) 56.823 3.048 ( 1.182 -0.414 2.053) 2.405 3.292 ( 0.414 -4.857 0.012) 4.874 3.375 ( 2.176 -2.230 -8.887) 9.417 3.785 ( -3.121 -0.632 -2.654) 4.145 3.995 ( -1.339 2.868 0.020) 3.165 4.147 ( -4.595 -4.651 -4.528) 7.953 4.276 ( -2.490 -2.542 -4.392) 5.653 4.653 ( -6.796 -3.342 -0.705) 7.606 4.846 ( -10.806 -4.542 -10.749) 15.904 6.512 ( 6.846 10.946 2.864) 13.225 6.754 ( -8.741 15.855 5.568) 18.942 7.292 ( 3.996 -1.875 16.467) 17.049 7.740 ( 6.338 -7.259 6.055) 11.381 7.988 ( 4.773 -1.003 -0.728) 4.932 8.162 ( 19.675 -10.228 6.056) 22.987 8.296 ( 11.412 -0.978 4.499) 12.306 8.804 ( -0.106 5.644 1.914) 5.960 9.863 ( -6.497 -8.952 -10.549) 15.285 10.059 ( -19.055 -0.471 -7.305) 20.413 10.409 ( 7.239 -2.031 -4.238) 8.631 10.637 ( -0.428 0.394 -5.815) 5.844 10.734 ( 1.791 7.455 1.050) 7.739 10.989 ( -7.336 -13.324 4.286) 15.803 11.270 ( -2.934 -8.846 9.235) 13.120 11.567 ( -2.335 7.038 -3.700) 8.287 12.143 ( -1.038 4.065 -0.452) 4.220 12.237 ( -1.163 15.301 4.997) 16.139 12.370 ( 7.268 3.479 3.756) 8.891 12.659 ( 3.742 -3.867 -3.946) 6.673 12.877 ( 5.783 1.633 -0.456) 6.026 13.047 ( -0.701 -0.996 5.322) 5.460 13.221 ( 1.483 2.972 0.705) 3.396 13.485 ( 9.674 6.611 7.753) 14.050 13.812 ( -1.561 -8.546 -9.400) 12.799 14.037 ( 3.671 -0.246 -14.269) 14.736 14.114 ( 1.448 -1.843 -4.362) 4.952 14.341 ( 4.289 -8.634 -2.511) 9.963 14.525 ( 7.211 8.493 1.665) 11.265 14.667 ( 11.392 -4.448 17.653) 21.475 15.113 ( 1.303 16.996 7.569) 18.651 15.521 ( -1.765 -2.340 -2.350) 3.757 15.720 ( -4.052 -0.519 -21.714) 22.095 15.795 ( -8.703 1.780 -19.932) 21.822 16.060 ( 1.644 4.350 -2.892) 5.476 16.559 ( -6.116 -0.144 20.889) 21.767 17.661 ( 18.293 -7.442 18.640) 27.156 17.809 ( -22.071 2.115 -14.756) 26.633 18.135 ( -7.210 0.332 13.677) 15.464 18.383 ( 3.529 -11.118 0.004) 11.665 18.627 ( -0.104 -11.889 -7.642) 14.134 18.914 ( 10.659 -25.156 -0.356) 27.323 19.247 ( -8.608 -13.683 -4.509) 16.782 19.352 ( -3.415 -7.683 -4.939) 9.751 20.566 ( 8.076 20.767 11.784) 25.206 20.983 ( 2.290 15.053 0.786) 15.247 21.702 ( 0.196 1.409 0.527) 1.517 22.032 ( -11.410 7.052 -6.190) 14.773 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 22.084 13.527 6.440) 26.686 1.862 ( 28.813 0.454 15.524) 32.732 2.825 ( 18.994 22.003 18.308) 34.353 3.080 ( 1.803 -3.365 0.809) 3.902 3.355 ( 4.541 -1.176 -2.461) 5.298 3.448 ( 4.695 -4.214 -6.150) 8.811 3.694 ( -3.812 -2.702 -5.033) 6.867 3.939 ( -4.686 -1.606 1.404) 5.149 4.038 ( -4.935 -1.130 -1.923) 5.416 4.207 ( -4.082 -2.166 -6.145) 7.688 4.467 ( -10.279 -1.549 1.478) 10.500 4.564 ( -14.695 -0.766 -7.009) 16.299 6.689 ( 6.789 20.305 2.636) 21.572 6.787 ( 13.842 4.184 0.950) 14.492 7.403 ( 5.981 -0.708 15.724) 16.838 7.959 ( 12.728 -6.404 7.840) 16.263 8.073 ( 4.038 0.226 1.840) 4.443 8.409 ( 7.756 -6.406 10.555) 14.581 8.796 ( 27.078 -3.836 3.362) 27.554 8.814 ( 6.148 2.287 2.236) 6.931 9.609 ( -22.595 -1.286 -4.277) 23.032 9.741 ( -4.852 -3.148 -9.534) 11.151 10.455 ( -15.354 6.154 -8.655) 18.668 10.523 ( 1.958 -6.210 -2.212) 6.876 10.782 ( 3.147 6.077 0.665) 6.876 10.890 ( -1.138 -10.526 5.202) 11.797 11.122 ( -10.390 -2.201 10.326) 14.813 11.530 ( -1.390 1.540 -3.491) 4.061 12.004 ( -10.332 13.922 8.273) 19.210 12.275 ( -0.219 6.117 -5.341) 8.124 12.580 ( 12.457 2.847 -1.771) 12.900 12.826 ( 11.395 -8.342 -7.075) 15.795 12.917 ( 0.544 -5.105 -2.580) 5.745 13.137 ( 7.440 8.170 -2.858) 11.414 13.260 ( 1.757 6.927 -3.798) 8.093 13.578 ( -6.125 -8.285 -11.544) 15.473 13.814 ( 10.736 9.410 7.908) 16.320 14.062 ( -4.126 -4.019 0.998) 5.846 14.234 ( 9.071 -4.027 -2.671) 10.278 14.369 ( 1.367 -6.699 -2.579) 7.307 14.770 ( 13.246 10.917 -7.530) 18.745 14.956 ( 13.075 -3.335 8.696) 16.053 15.263 ( 6.045 10.000 10.516) 15.720 15.344 ( -13.451 0.918 -6.353) 14.904 15.502 ( -12.392 1.079 -12.933) 17.944 15.586 ( -1.884 0.306 -1.730) 2.576 16.218 ( 10.420 -5.230 -2.709) 11.969 16.659 ( 14.585 6.327 15.935) 22.509 17.301 ( -24.609 6.421 -16.879) 30.525 18.008 ( 11.298 -5.922 16.326) 20.718 18.089 ( 2.794 0.222 12.621) 12.928 18.359 ( -9.036 1.328 4.318) 10.103 18.591 ( 0.521 -24.089 0.184) 24.096 18.940 ( -13.947 -13.010 -5.332) 19.804 19.039 ( -4.733 -24.301 -1.073) 24.780 19.200 ( -10.582 -7.776 1.122) 13.179 20.807 ( 14.166 15.118 4.185) 21.136 21.056 ( 4.736 14.359 -3.038) 15.422 21.700 ( -0.586 1.908 -1.350) 2.409 21.822 ( -8.613 8.004 -7.886) 14.157 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 22.447 5.760 -1.247) 23.208 2.411 ( 22.564 -6.279 10.788) 25.787 3.061 ( 5.710 9.880 3.603) 11.966 3.113 ( 1.041 -4.416 0.221) 4.542 3.369 ( -4.743 4.386 -0.915) 6.525 3.482 ( -0.000 -4.179 -7.309) 8.419 3.681 ( -0.605 -13.297 -3.011) 13.647 3.813 ( -6.962 -3.286 0.013) 7.699 3.976 ( -1.073 0.728 2.517) 2.831 4.122 ( -3.209 0.481 -5.351) 6.258 4.234 ( -10.966 1.628 -2.008) 11.267 4.326 ( -7.051 0.892 3.127) 7.765 6.877 ( 11.976 15.486 4.770) 20.149 7.189 ( 22.267 3.112 -0.783) 22.497 7.503 ( 2.526 2.792 14.106) 14.600 8.127 ( 0.674 -0.793 6.871) 6.949 8.224 ( 11.172 -3.881 5.698) 13.128 8.603 ( 11.167 0.073 7.785) 13.613 8.843 ( 0.659 -1.747 3.425) 3.901 9.150 ( -18.565 1.828 0.152) 18.655 9.372 ( 12.642 -13.160 -3.899) 18.661 9.815 ( 20.304 6.591 -5.885) 22.143 10.080 ( -18.727 7.117 -15.363) 25.246 10.483 ( -4.621 -6.462 4.654) 9.208 10.799 ( -7.590 -0.194 9.854) 12.440 10.911 ( 4.203 6.027 -1.483) 7.496 11.004 ( 4.521 -6.927 6.869) 10.752 11.456 ( -7.287 1.961 -5.135) 9.128 11.754 ( -13.280 14.126 4.149) 19.827 12.088 ( -15.945 5.184 2.562) 16.961 12.858 ( 11.415 -5.078 -6.344) 14.012 12.979 ( 3.800 -6.877 -7.133) 10.612 13.105 ( 14.774 -7.904 -10.944) 20.013 13.256 ( -1.390 4.590 -14.379) 15.157 13.307 ( 8.831 7.817 -6.107) 13.281 13.498 ( 1.926 1.729 -0.206) 2.597 13.896 ( -5.515 -0.446 3.322) 6.453 14.157 ( 14.268 6.818 5.797) 16.842 14.291 ( -0.672 -12.186 -1.743) 12.328 14.528 ( 8.326 -1.507 3.227) 9.056 14.771 ( -21.384 1.897 -9.250) 23.376 14.986 ( 0.854 7.965 -3.876) 8.899 15.132 ( -15.956 -5.164 -9.764) 19.406 15.185 ( 9.757 7.586 -4.374) 13.110 15.549 ( 0.374 6.838 9.898) 12.036 15.878 ( 30.918 4.820 19.073) 36.646 16.508 ( 10.897 -7.532 -3.598) 13.727 16.798 ( -9.218 8.469 -13.489) 18.402 17.119 ( 21.371 4.353 8.644) 23.460 17.933 ( -21.991 -0.027 10.259) 24.266 18.146 ( 0.877 1.061 11.650) 11.731 18.247 ( 4.122 -5.201 15.358) 16.730 18.510 ( -22.300 -7.307 -5.289) 24.055 18.667 ( 0.776 -24.305 0.914) 24.334 18.815 ( -14.642 -13.453 4.969) 20.496 19.047 ( -4.165 -19.997 1.395) 20.473 21.115 ( 14.370 10.037 -1.778) 17.618 21.177 ( 6.752 12.992 -6.479) 16.011 21.653 ( -6.925 7.409 -9.080) 13.613 21.670 ( -3.541 3.538 -3.852) 6.317 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 19.125 0.529 -3.750) 19.496 2.754 ( 7.149 -8.197 4.844) 11.907 3.035 ( -5.798 3.007 -5.314) 8.421 3.079 ( -5.289 -4.772 -0.549) 7.145 3.340 ( 4.872 6.292 0.847) 8.003 3.452 ( -3.874 1.044 -3.230) 5.151 3.658 ( -0.498 -13.700 -1.278) 13.769 3.685 ( -3.869 -8.750 -1.528) 9.689 3.946 ( -0.331 0.462 -2.127) 2.202 4.008 ( -6.109 2.349 -3.885) 7.612 4.162 ( 1.807 1.726 3.661) 4.432 4.221 ( -3.753 -0.305 7.013) 7.960 7.168 ( 14.757 11.364 6.401) 19.695 7.423 ( -7.444 6.156 9.971) 13.883 7.685 ( 20.301 2.584 2.673) 20.639 8.028 ( -10.885 -0.522 5.638) 12.269 8.439 ( 10.024 -3.585 6.748) 12.604 8.673 ( -12.013 -4.038 5.022) 13.632 8.861 ( 8.940 2.360 3.542) 9.902 8.969 ( -1.930 1.626 2.700) 3.696 9.475 ( 5.814 -2.940 -8.907) 11.036 9.714 ( -15.729 5.313 -15.211) 22.517 10.396 ( 18.502 -1.314 -4.809) 19.162 10.423 ( 0.965 -2.889 7.057) 7.686 10.652 ( 5.210 5.701 9.052) 11.899 11.052 ( 4.632 0.790 -1.964) 5.092 11.126 ( 1.216 -5.266 1.674) 5.658 11.148 ( -18.682 1.870 -3.808) 19.157 11.555 ( -1.761 15.398 2.890) 15.766 11.730 ( -15.690 6.603 5.906) 18.018 12.993 ( 3.089 -13.024 -11.079) 17.375 13.030 ( 0.213 -10.796 -7.982) 13.428 13.243 ( 3.025 3.603 -11.085) 12.042 13.306 ( -0.776 -0.028 -9.655) 9.686 13.583 ( 15.454 5.399 -3.039) 16.650 13.643 ( 11.531 0.324 -2.680) 11.843 13.806 ( -2.072 11.466 2.812) 11.986 14.150 ( -23.875 -5.120 -5.672) 25.068 14.320 ( 6.380 -12.284 -4.309) 14.497 14.448 ( 3.708 1.437 -6.483) 7.605 14.726 ( -1.841 -0.933 -4.876) 5.295 14.847 ( -8.166 0.034 1.586) 8.318 15.002 ( 7.627 4.826 11.580) 14.681 15.224 ( -8.378 10.322 13.622) 19.034 15.733 ( 18.376 9.492 -10.314) 23.111 16.173 ( -21.186 8.852 -13.387) 26.578 16.617 ( 34.088 1.959 17.045) 38.162 17.205 ( 26.944 -1.824 -2.262) 27.100 17.337 ( -28.473 1.711 13.198) 31.430 17.595 ( 13.891 1.415 5.563) 15.030 17.956 ( -18.103 -8.163 -1.527) 19.917 18.145 ( -10.624 -6.936 10.822) 16.676 18.318 ( 0.252 -4.205 12.051) 12.767 18.388 ( -11.103 -5.719 8.883) 15.326 18.834 ( 6.013 -22.997 2.152) 23.868 18.953 ( -5.124 -22.272 1.787) 22.923 21.328 ( 7.728 11.027 -8.883) 16.131 21.383 ( 10.553 6.552 -4.396) 13.176 21.497 ( -7.373 9.353 -9.738) 15.384 21.571 ( -6.557 4.368 -4.481) 9.064 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 0.000 32.443 6.390) 33.066 1.757 ( 0.000 34.008 10.814) 35.686 2.752 ( 0.000 42.305 23.312) 48.303 2.959 ( 0.000 -10.105 -1.301) 10.188 3.138 ( 0.000 -11.601 1.849) 11.747 3.385 ( 0.000 6.105 -4.958) 7.865 3.803 ( 0.000 -0.391 -2.093) 2.130 4.057 ( 0.000 -6.350 -0.426) 6.364 4.126 ( 0.000 4.044 -4.581) 6.111 4.249 ( 0.000 -1.454 -4.266) 4.507 4.617 ( 0.000 -6.997 -1.540) 7.164 4.789 ( 0.000 -12.135 -9.438) 15.373 6.619 ( 0.000 7.897 11.101) 13.624 7.012 ( 0.000 1.391 5.890) 6.052 7.193 ( 0.000 -2.885 18.886) 19.105 7.631 ( 0.000 -8.531 8.536) 12.068 7.800 ( 0.000 -0.045 -9.201) 9.201 7.887 ( 0.000 1.898 2.788) 3.373 8.302 ( 0.000 11.425 -7.088) 13.445 8.984 ( 0.000 12.636 1.660) 12.745 9.569 ( 0.000 -25.201 -7.451) 26.280 10.157 ( 0.000 -22.962 -2.810) 23.133 10.385 ( 0.000 5.027 -8.186) 9.606 10.480 ( 0.000 3.550 -10.593) 11.172 10.921 ( 0.000 6.280 6.974) 9.384 11.071 ( 0.000 14.263 0.283) 14.266 11.150 ( 0.000 -5.024 10.823) 11.933 11.707 ( 0.000 2.634 -13.778) 14.028 12.203 ( 0.000 5.081 -3.322) 6.071 12.381 ( 0.000 4.585 12.654) 13.459 12.474 ( 0.000 5.163 11.055) 12.201 12.696 ( 0.000 7.480 1.241) 7.582 12.805 ( 0.000 -2.694 1.441) 3.055 12.973 ( 0.000 -5.067 5.666) 7.602 13.217 ( 0.000 2.462 0.166) 2.468 13.492 ( 0.000 8.652 11.580) 14.456 13.616 ( 0.000 -10.207 -11.923) 15.696 13.979 ( 0.000 -6.449 -10.959) 12.716 14.013 ( 0.000 -7.184 -3.039) 7.800 14.089 ( 0.000 -9.456 3.812) 10.195 14.527 ( 0.000 -0.259 18.192) 18.194 14.556 ( 0.000 3.608 12.146) 12.670 15.495 ( 0.000 19.594 0.590) 19.603 15.601 ( 0.000 8.133 -12.699) 15.080 15.702 ( 0.000 -2.457 -26.357) 26.471 15.928 ( 0.000 6.441 -12.907) 14.425 16.193 ( 0.000 4.561 0.539) 4.593 16.659 ( 0.000 -1.232 12.078) 12.140 17.170 ( 0.000 -14.370 21.884) 26.181 17.773 ( 0.000 -33.906 2.518) 34.000 18.115 ( 0.000 1.495 14.923) 14.998 18.318 ( 0.000 3.321 -6.753) 7.526 18.466 ( 0.000 -0.824 -22.715) 22.730 18.582 ( 0.000 -4.781 -3.138) 5.719 19.050 ( 0.000 -10.655 3.193) 11.123 19.249 ( 0.000 -7.784 -12.215) 14.485 20.961 ( 0.000 24.949 8.727) 26.432 21.276 ( 0.000 15.749 1.922) 15.866 21.716 ( 0.000 -0.054 1.156) 1.158 22.103 ( 0.000 -10.610 -3.438) 11.153 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 9.433 27.138 8.518) 29.967 1.816 ( 6.967 30.483 11.063) 33.169 2.950 ( 6.394 6.877 4.985) 10.631 2.985 ( 9.778 16.556 10.608) 21.960 3.136 ( 1.736 -11.291 2.045) 11.605 3.379 ( -0.530 3.677 -6.003) 7.060 3.771 ( -3.475 -0.843 -2.543) 4.388 3.988 ( -5.920 -6.715 -0.040) 8.952 4.119 ( -0.754 4.722 -3.365) 5.847 4.228 ( -1.879 -0.955 -4.723) 5.172 4.563 ( -5.033 -5.855 -1.189) 7.812 4.713 ( -6.952 -9.157 -8.141) 14.087 6.670 ( 5.951 7.671 7.589) 12.322 7.085 ( 5.455 9.684 3.660) 11.702 7.245 ( 3.930 0.383 16.740) 17.199 7.659 ( 1.967 1.018 2.589) 3.407 7.904 ( 15.339 -11.529 8.311) 20.911 7.983 ( 5.581 -1.605 -2.464) 6.308 8.382 ( 8.587 8.182 -0.014) 11.861 8.972 ( -1.320 11.655 1.621) 11.841 9.550 ( -1.271 -22.724 -6.396) 23.641 9.925 ( -16.908 -13.289 -3.890) 21.855 10.393 ( 0.748 0.982 -6.991) 7.099 10.609 ( 6.876 -4.611 -6.268) 10.384 10.897 ( -3.463 4.051 8.481) 10.017 10.981 ( -6.842 16.454 -4.123) 18.291 11.140 ( -0.964 -3.655 8.678) 9.465 11.651 ( -5.675 1.508 -6.173) 8.520 12.206 ( 2.218 4.028 -3.054) 5.520 12.461 ( 8.049 5.284 3.146) 10.129 12.484 ( 1.244 2.609 4.769) 5.576 12.655 ( -4.739 8.892 0.184) 10.077 12.849 ( 1.638 -4.106 -0.713) 4.478 13.078 ( 9.769 2.667 6.290) 11.921 13.271 ( 4.722 2.294 -3.420) 6.266 13.503 ( -2.451 -6.501 -10.316) 12.437 13.714 ( 10.243 1.792 11.557) 15.546 13.949 ( 0.942 -6.025 -7.340) 9.543 14.111 ( 3.496 -2.634 0.501) 4.406 14.136 ( 3.755 -11.455 0.138) 12.056 14.604 ( 10.308 0.671 16.982) 19.877 14.651 ( 8.618 2.805 7.914) 12.032 15.490 ( -3.280 1.804 -5.214) 6.419 15.567 ( 0.901 24.140 -3.894) 24.469 15.661 ( -5.972 -1.750 -22.045) 22.906 15.851 ( -7.443 2.895 -13.277) 15.494 16.078 ( -9.209 -3.084 -3.278) 10.250 16.645 ( 5.865 9.834 19.909) 22.967 17.441 ( 18.461 -15.646 16.425) 29.247 17.762 ( -3.907 -22.313 -2.846) 22.831 17.975 ( -11.668 -6.174 2.069) 13.362 18.179 ( -2.668 3.276 3.870) 5.729 18.533 ( -3.463 -12.789 -4.294) 13.929 18.599 ( 2.527 0.728 -10.278) 10.609 18.967 ( -7.684 -11.725 0.729) 14.038 19.207 ( -4.681 -8.045 -6.787) 11.519 21.008 ( 4.663 23.460 6.377) 24.755 21.295 ( 1.906 15.524 0.555) 15.650 21.723 ( 0.581 0.193 0.392) 0.727 22.030 ( -5.923 -6.693 -4.379) 9.953 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 13.450 16.892 9.834) 23.727 2.071 ( 16.352 19.245 7.770) 26.422 2.968 ( 0.421 -9.009 -1.192) 9.097 3.111 ( 2.330 -0.950 2.652) 3.656 3.353 ( 10.731 3.949 6.404) 13.106 3.369 ( -0.142 -1.169 -8.329) 8.412 3.640 ( -9.180 -1.928 -3.759) 10.105 3.854 ( -6.156 -5.781 3.074) 8.987 4.090 ( -2.296 5.392 -0.276) 5.867 4.183 ( -1.910 1.307 -6.108) 6.532 4.421 ( -8.142 -3.404 0.010) 8.825 4.526 ( -10.024 -3.238 -5.755) 12.004 6.891 ( 14.922 7.091 3.208) 16.830 7.169 ( 2.861 25.393 1.611) 25.604 7.357 ( 7.949 -4.022 15.462) 17.845 7.855 ( 14.180 -2.461 8.734) 16.835 8.073 ( 4.650 -0.534 1.269) 4.849 8.274 ( 16.022 -8.157 6.964) 19.280 8.716 ( 22.962 -0.997 3.941) 23.319 8.925 ( -3.192 7.979 1.139) 8.669 9.511 ( -13.660 -9.902 -3.052) 17.145 9.583 ( -2.310 -13.131 -2.488) 13.563 10.393 ( -1.416 -3.360 -3.981) 5.398 10.680 ( -12.438 6.537 -4.946) 14.896 10.714 ( 1.522 -0.241 -1.400) 2.082 10.919 ( -0.423 6.798 2.421) 7.229 11.096 ( -4.117 0.276 5.707) 7.042 11.521 ( -4.851 -1.995 -3.274) 6.183 12.243 ( -3.241 9.013 0.720) 9.605 12.449 ( -4.842 10.493 -2.258) 11.775 12.623 ( 4.027 -2.882 -5.614) 7.486 12.705 ( 13.121 0.587 -2.053) 13.294 12.841 ( -0.806 -1.442 0.467) 1.717 13.269 ( 5.741 0.996 -5.130) 7.763 13.394 ( 0.998 -4.814 -5.219) 7.170 13.419 ( 3.594 7.365 -10.942) 13.671 13.851 ( -0.821 -4.217 -0.908) 4.392 14.080 ( 4.880 -7.916 9.303) 13.154 14.117 ( 6.285 4.263 11.279) 13.598 14.259 ( 7.720 -5.080 1.764) 9.408 14.877 ( 9.711 0.827 -4.392) 10.690 14.956 ( 20.658 2.578 5.437) 21.516 15.289 ( -17.321 -0.148 -7.881) 19.030 15.509 ( -7.918 -3.509 -9.720) 13.019 15.548 ( -7.897 5.084 -10.607) 14.167 15.727 ( 9.898 25.836 8.981) 29.088 16.068 ( 6.959 -9.523 -1.945) 11.955 16.861 ( 12.756 13.532 14.354) 23.491 17.460 ( -19.434 9.376 -10.974) 24.208 17.801 ( 14.657 -16.597 14.754) 26.608 17.927 ( 3.284 -32.808 5.825) 33.482 18.141 ( -2.127 4.568 4.955) 7.067 18.449 ( -4.293 -24.634 0.318) 25.007 18.502 ( -11.433 3.727 0.880) 12.057 18.737 ( -14.365 -12.687 -6.179) 20.137 19.036 ( -11.608 -8.948 2.432) 14.857 21.153 ( 8.864 19.069 1.141) 21.059 21.354 ( 3.676 14.691 -2.545) 15.356 21.734 ( 0.273 0.980 -1.491) 1.805 21.898 ( -6.119 -1.088 -6.740) 9.168 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 15.609 7.953 4.694) 18.136 2.424 ( 15.859 7.739 6.579) 18.833 2.983 ( 0.719 -7.875 -2.219) 8.213 3.175 ( 3.409 -1.561 -0.426) 3.773 3.371 ( -0.517 -5.586 -7.957) 9.736 3.383 ( -8.781 -12.766 -5.485) 16.437 3.474 ( -2.299 3.055 3.753) 5.357 3.720 ( -7.182 -5.959 5.080) 10.625 4.018 ( -3.926 4.071 -0.204) 5.659 4.154 ( -2.150 3.212 -3.034) 4.913 4.251 ( -7.078 -0.578 0.165) 7.104 4.334 ( -7.726 -0.295 -2.803) 8.224 7.223 ( 12.308 13.130 2.021) 18.110 7.314 ( 14.771 14.578 6.069) 21.622 7.539 ( 8.218 0.115 14.905) 17.021 8.076 ( 2.924 -4.436 7.303) 9.031 8.195 ( 8.802 1.686 3.485) 9.615 8.602 ( 15.304 -1.868 6.010) 16.547 8.829 ( -6.757 0.921 0.656) 6.851 9.134 ( -11.490 -3.835 1.066) 12.160 9.171 ( 12.575 -4.859 0.381) 13.486 9.827 ( 22.817 -6.836 -2.965) 24.003 10.285 ( -12.847 10.649 -9.023) 18.970 10.408 ( -6.157 3.064 -5.363) 8.721 10.795 ( 2.936 -3.723 4.271) 6.381 10.878 ( -4.042 -1.690 7.561) 8.739 11.024 ( 0.274 3.949 -1.844) 4.367 11.438 ( -5.536 -3.324 -6.184) 8.940 12.058 ( -11.576 15.081 0.669) 19.023 12.240 ( -14.866 10.119 2.763) 18.194 12.699 ( 1.973 -9.922 -9.206) 13.678 12.843 ( -0.055 -7.562 -5.272) 9.219 13.035 ( 17.221 1.147 -1.490) 17.323 13.288 ( 0.742 -1.526 -11.017) 11.147 13.464 ( 5.511 5.565 -8.460) 11.529 13.574 ( 7.025 8.221 -0.837) 10.846 13.854 ( 5.094 -3.589 0.183) 6.234 14.020 ( -5.364 -11.057 7.862) 14.589 14.273 ( 1.650 -1.462 -3.107) 3.810 14.503 ( 10.857 -0.306 10.514) 15.117 14.845 ( -11.165 5.399 -8.708) 15.153 15.034 ( -3.025 1.156 -6.932) 7.651 15.077 ( -14.089 1.452 -8.590) 16.565 15.453 ( 8.315 6.812 -0.508) 10.761 15.623 ( 10.682 7.187 -0.036) 12.875 16.081 ( 24.330 17.302 17.867) 34.793 16.356 ( 18.471 -8.149 -1.424) 20.239 16.999 ( -9.132 12.317 -9.311) 17.939 17.239 ( 10.421 7.440 8.943) 15.618 17.897 ( -12.072 -5.442 10.575) 16.946 18.027 ( 2.929 -27.416 3.445) 27.786 18.126 ( 5.396 -12.355 9.328) 16.395 18.213 ( -12.140 -0.143 7.754) 14.405 18.351 ( -12.195 -10.607 1.816) 16.264 18.376 ( -12.261 -22.988 -4.176) 26.386 18.752 ( -14.454 -11.287 6.871) 19.584 21.354 ( 9.753 13.482 -3.241) 16.952 21.445 ( 4.894 13.023 -5.627) 15.007 21.725 ( -1.391 2.478 -3.615) 4.598 21.779 ( -5.382 3.233 -8.427) 10.509 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 13.315 0.843 1.850) 13.469 2.669 ( 5.415 -0.122 3.601) 6.505 2.986 ( 0.177 -4.675 -4.905) 6.778 3.089 ( -10.040 0.792 -8.202) 12.988 3.321 ( 4.368 -11.246 -2.497) 12.320 3.393 ( -0.428 -9.893 6.223) 11.695 3.433 ( 0.889 -0.042 -1.865) 2.067 3.558 ( -7.949 -4.860 4.002) 10.140 3.975 ( 0.766 3.264 -1.646) 3.735 4.051 ( -5.805 2.763 -2.162) 6.783 4.179 ( -0.493 -0.441 1.025) 1.220 4.214 ( -3.774 -0.666 0.061) 3.833 7.441 ( 9.720 15.246 6.256) 19.133 7.563 ( 0.816 7.419 11.163) 13.428 7.744 ( 14.649 2.852 8.392) 17.121 8.006 ( -8.652 -2.199 7.543) 11.687 8.387 ( 9.433 -0.519 4.937) 10.659 8.612 ( -11.938 -1.378 3.516) 12.521 8.845 ( 6.457 -5.808 2.291) 8.983 8.939 ( -4.765 -5.207 1.391) 7.194 9.503 ( 18.382 8.286 -5.389) 20.871 9.912 ( -19.330 14.960 -13.408) 27.879 10.346 ( 14.321 -5.727 -3.609) 15.840 10.423 ( 5.827 3.095 -4.045) 7.739 10.729 ( 4.034 2.275 7.933) 9.186 10.963 ( 4.506 -8.393 0.669) 9.550 11.028 ( -2.244 -3.705 -2.311) 4.909 11.199 ( -16.123 -0.467 -2.725) 16.359 11.871 ( -3.712 16.211 0.842) 16.652 11.948 ( -10.437 15.302 4.888) 19.157 12.729 ( 2.154 -13.507 -8.150) 15.921 12.798 ( -3.680 -12.538 -5.199) 14.063 13.327 ( 6.416 2.199 -6.384) 9.315 13.337 ( 2.538 4.875 -9.429) 10.914 13.590 ( 10.499 0.005 -1.359) 10.587 13.745 ( 7.896 7.490 -0.661) 10.903 13.863 ( -6.497 -9.162 8.963) 14.369 14.078 ( -13.402 0.545 -4.666) 14.202 14.126 ( 14.748 -6.551 -7.311) 17.716 14.536 ( -19.478 -5.490 -12.442) 23.756 14.673 ( 8.205 9.137 -5.926) 13.636 14.863 ( -8.464 3.842 -6.026) 11.077 15.132 ( 12.144 5.736 13.719) 19.199 15.383 ( -9.840 2.152 13.371) 16.740 16.006 ( 20.321 19.319 -12.292) 30.614 16.402 ( -15.530 14.304 -11.699) 24.138 16.698 ( 32.679 7.098 17.809) 37.887 17.152 ( 23.976 -4.152 -1.926) 24.409 17.376 ( -22.982 1.920 11.454) 25.750 17.602 ( 12.812 -2.765 9.405) 16.132 17.785 ( -28.215 -7.276 -3.133) 29.306 17.922 ( -13.144 -16.856 4.446) 21.833 18.192 ( 2.948 -9.683 9.252) 13.713 18.253 ( -0.065 -9.269 8.518) 12.588 18.322 ( 3.999 -23.243 7.411) 24.722 18.486 ( -10.284 -20.981 5.808) 24.077 21.537 ( 7.252 8.832 -5.589) 12.722 21.553 ( 5.321 10.197 -7.402) 13.678 21.665 ( -4.559 5.969 -6.892) 10.194 21.672 ( -4.660 5.946 -6.864) 10.207 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 0.000 28.044 0.411) 28.047 2.364 ( 0.000 27.865 5.867) 28.476 2.657 ( 0.000 -20.289 -1.772) 20.367 2.828 ( 0.000 -19.626 3.383) 19.915 3.419 ( 0.000 22.282 3.159) 22.505 3.538 ( 0.000 6.812 -5.733) 8.903 3.791 ( 0.000 -0.510 1.034) 1.152 3.879 ( 0.000 -9.443 2.797) 9.849 4.242 ( 0.000 8.338 -4.867) 9.655 4.310 ( 0.000 7.314 -2.215) 7.642 4.463 ( 0.000 -8.994 -1.654) 9.145 4.508 ( 0.000 -15.611 -4.860) 16.350 6.781 ( 0.000 9.022 12.144) 15.128 6.952 ( 0.000 -7.600 11.019) 13.386 7.228 ( 0.000 6.977 13.628) 15.311 7.416 ( 0.000 -11.451 10.914) 15.819 7.866 ( 0.000 3.912 -5.867) 7.051 7.908 ( 0.000 -0.276 -1.759) 1.781 8.595 ( 0.000 19.290 -5.931) 20.181 9.047 ( 0.000 -26.439 -4.785) 26.869 9.294 ( 0.000 18.853 0.722) 18.867 9.704 ( 0.000 -22.886 -0.908) 22.904 10.466 ( 0.000 2.934 -11.267) 11.643 10.499 ( 0.000 -0.616 -12.372) 12.387 11.006 ( 0.000 3.853 13.846) 14.372 11.073 ( 0.000 -3.296 12.836) 13.253 11.440 ( 0.000 17.965 -11.481) 21.320 11.678 ( 0.000 -6.262 -15.096) 16.344 12.369 ( 0.000 12.043 -2.252) 12.252 12.454 ( 0.000 2.507 11.817) 12.080 12.493 ( 0.000 -0.677 9.757) 9.780 12.648 ( 0.000 -13.194 -1.236) 13.252 12.845 ( 0.000 5.425 6.357) 8.357 12.907 ( 0.000 -2.102 7.400) 7.693 13.307 ( 0.000 6.480 -2.602) 6.983 13.441 ( 0.000 -7.391 -8.292) 11.108 13.675 ( 0.000 10.137 10.022) 14.255 13.860 ( 0.000 -4.074 -9.976) 10.776 13.869 ( 0.000 -6.530 -10.900) 12.706 13.887 ( 0.000 -9.928 15.244) 18.192 14.555 ( 0.000 2.339 19.559) 19.698 14.587 ( 0.000 -0.307 16.356) 16.359 15.575 ( 0.000 1.520 -22.723) 22.774 15.628 ( 0.000 -3.826 -28.072) 28.331 16.076 ( 0.000 7.570 -8.736) 11.560 16.129 ( 0.000 25.197 1.353) 25.233 16.221 ( 0.000 5.491 -4.541) 7.125 16.762 ( 0.000 12.194 18.844) 22.445 16.791 ( 0.000 -26.969 11.866) 29.464 17.130 ( 0.000 -27.416 12.977) 30.332 18.220 ( 0.000 8.136 6.719) 10.552 18.389 ( 0.000 -7.954 -4.461) 9.120 18.400 ( 0.000 4.686 -8.684) 9.868 18.489 ( 0.000 -4.311 -8.787) 9.787 18.974 ( 0.000 2.562 -5.342) 5.924 19.091 ( 0.000 -7.989 -11.106) 13.681 21.426 ( 0.000 22.477 4.546) 22.932 21.534 ( 0.000 10.532 1.518) 10.641 21.676 ( 0.000 -4.455 1.185) 4.610 21.822 ( 0.000 -17.774 0.961) 17.800 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 3.557 26.162 0.971) 26.421 2.378 ( 2.115 26.519 6.845) 27.470 2.676 ( 1.492 -19.304 -1.325) 19.407 2.832 ( 0.782 -19.475 3.815) 19.860 3.445 ( 0.597 12.668 -1.517) 12.772 3.493 ( -3.530 6.022 -5.732) 9.032 3.755 ( -3.520 0.116 1.068) 3.680 3.836 ( -3.615 -7.379 3.909) 9.099 4.248 ( 0.292 9.183 -3.614) 9.873 4.294 ( -1.208 7.271 -2.782) 7.878 4.430 ( -3.211 -7.843 -1.321) 8.578 4.497 ( -1.408 -12.598 -4.810) 13.559 6.837 ( 6.123 9.387 9.423) 14.643 7.020 ( 6.482 -8.792 11.071) 15.553 7.397 ( 14.250 9.964 12.066) 21.165 7.603 ( 15.116 -10.551 10.623) 21.275 7.843 ( 0.632 6.524 -2.561) 7.037 7.947 ( 2.836 -3.183 -2.116) 4.760 8.626 ( 4.154 17.600 -1.673) 18.161 9.057 ( 1.711 -25.493 -2.565) 25.679 9.252 ( -4.106 16.560 0.872) 17.083 9.601 ( -9.370 -18.498 -0.745) 20.749 10.442 ( -1.654 3.549 -9.868) 10.616 10.519 ( 1.244 -4.322 -9.577) 10.581 10.983 ( -2.124 3.876 10.738) 11.612 11.046 ( -2.194 -2.921 10.489) 11.107 11.380 ( -6.084 17.591 -8.657) 20.528 11.614 ( -6.563 -6.218 -9.101) 12.828 12.311 ( -0.144 6.610 -0.428) 6.626 12.430 ( -0.726 -4.897 2.908) 5.742 12.562 ( 7.648 5.463 0.997) 9.451 12.702 ( 3.188 -8.279 -1.129) 8.943 12.911 ( 0.073 11.585 2.681) 11.891 13.077 ( 9.091 -4.317 5.517) 11.477 13.322 ( 4.720 2.814 -6.266) 8.334 13.376 ( -0.875 -4.009 -11.673) 12.373 13.802 ( 7.777 4.551 16.080) 18.433 13.845 ( 0.022 -3.353 -0.521) 3.393 13.949 ( 5.607 -5.153 -1.047) 7.687 14.005 ( 9.378 -6.922 6.403) 13.299 14.646 ( 9.822 2.712 14.464) 17.692 14.678 ( 8.815 -0.237 11.841) 14.763 15.510 ( -5.880 1.654 -16.346) 17.450 15.562 ( -6.754 -3.767 -23.353) 24.600 15.905 ( -10.548 3.384 -7.983) 13.655 15.987 ( -13.919 -4.985 -4.695) 15.512 16.221 ( 4.551 36.395 2.145) 36.741 16.889 ( 8.290 2.835 12.996) 15.674 16.968 ( 12.682 -22.689 8.798) 27.442 17.253 ( 11.300 -20.047 15.504) 27.748 18.066 ( -15.312 7.843 -2.416) 17.373 18.206 ( -6.746 -4.204 -0.436) 7.961 18.399 ( -6.553 1.967 -5.209) 8.599 18.530 ( 1.503 -8.044 -6.918) 10.716 18.902 ( -6.973 4.512 -3.144) 8.880 19.043 ( -5.191 -8.564 -6.211) 11.784 21.444 ( 1.870 20.815 2.454) 21.042 21.549 ( 1.360 10.106 0.317) 10.202 21.689 ( 1.136 -4.029 0.428) 4.208 21.807 ( -1.186 -15.422 -0.705) 15.483 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 5.366 20.970 3.196) 21.880 2.477 ( 6.971 20.322 5.486) 22.174 2.714 ( 2.477 -16.293 -0.165) 16.481 2.878 ( 3.473 -17.754 5.365) 18.869 3.372 ( -5.287 2.428 -8.884) 10.620 3.422 ( -5.347 -1.180 -7.207) 9.051 3.656 ( -5.467 3.371 2.482) 6.886 3.743 ( -5.403 -5.341 5.094) 9.147 4.211 ( -3.847 6.580 -0.557) 7.642 4.284 ( -0.582 7.772 -4.463) 8.981 4.333 ( -5.719 -5.366 -0.450) 7.855 4.433 ( -4.818 -6.457 -4.495) 9.225 7.048 ( 13.732 8.803 7.102) 17.791 7.218 ( 12.006 -8.171 11.435) 18.484 7.631 ( 3.992 18.916 2.700) 19.520 7.849 ( 9.777 -1.905 6.591) 11.944 8.044 ( 8.855 -1.648 1.277) 9.098 8.100 ( 20.069 -7.608 8.327) 23.021 8.824 ( 15.451 12.581 3.148) 20.172 9.109 ( -7.170 8.310 0.409) 10.984 9.180 ( 9.024 -18.232 1.586) 20.405 9.344 ( -14.174 -11.803 0.315) 18.448 10.412 ( -0.948 4.582 -7.007) 8.425 10.540 ( 0.925 -7.980 -5.415) 9.688 10.907 ( -6.240 6.715 3.940) 9.978 10.989 ( -3.527 -1.569 4.758) 6.127 11.225 ( -6.837 13.139 -3.839) 15.301 11.441 ( -7.956 -7.300 -5.837) 12.274 12.373 ( 2.776 5.413 -3.705) 7.123 12.479 ( 3.152 -5.485 -4.410) 7.711 12.659 ( -7.201 5.184 -2.463) 9.208 12.714 ( 4.261 -1.026 -3.816) 5.811 12.930 ( 4.276 8.904 2.267) 10.134 13.117 ( 0.799 -9.935 -4.055) 10.760 13.442 ( 5.139 4.745 -8.820) 11.257 13.514 ( 8.355 -0.452 -9.760) 12.856 13.807 ( -1.024 1.573 2.429) 3.070 13.900 ( 0.594 -7.446 5.735) 9.417 14.174 ( 14.189 -0.238 17.575) 22.589 14.186 ( 6.743 -1.651 9.369) 11.660 14.908 ( 11.120 2.818 -3.144) 11.894 14.963 ( 16.396 -1.925 2.670) 16.723 15.318 ( -12.040 3.010 -6.491) 14.006 15.401 ( -6.670 -5.439 -6.891) 11.025 15.688 ( -4.704 8.641 -9.092) 13.396 15.872 ( 3.535 -10.076 -4.779) 11.699 16.349 ( 7.901 36.043 4.340) 37.154 17.027 ( 5.836 -19.897 5.608) 21.480 17.267 ( 14.668 -2.669 11.887) 19.067 17.523 ( 12.553 -15.264 14.458) 24.487 17.709 ( -17.457 11.882 -3.977) 21.488 18.011 ( -11.601 -18.836 -1.232) 22.156 18.266 ( -6.238 8.246 -1.810) 10.497 18.456 ( -8.510 -10.627 -6.309) 15.005 18.684 ( -13.698 7.692 3.198) 16.032 18.856 ( -12.519 -9.380 2.701) 15.874 21.506 ( 3.951 16.400 -1.859) 16.972 21.590 ( 2.470 8.969 -2.435) 9.617 21.718 ( 1.409 -2.972 -1.550) 3.636 21.783 ( -1.007 -10.165 -3.978) 10.962 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 8.242 14.035 2.961) 16.544 2.628 ( 6.660 9.203 2.003) 11.535 2.789 ( 4.158 -9.618 1.990) 10.666 2.954 ( 3.014 -15.687 6.516) 17.252 3.271 ( -5.556 -0.557 -9.182) 10.747 3.296 ( -2.997 -2.527 -9.156) 9.960 3.533 ( -6.273 3.064 2.750) 7.503 3.610 ( -7.085 -4.960 5.345) 10.167 4.116 ( -4.555 5.361 -0.688) 7.069 4.207 ( -5.267 -3.657 0.001) 6.412 4.235 ( -4.567 4.441 -2.884) 6.993 4.307 ( -6.644 -2.591 -4.028) 8.190 7.375 ( 16.475 6.575 7.738) 19.353 7.487 ( 12.796 -4.453 12.552) 18.469 7.692 ( 3.807 17.762 4.903) 18.815 7.953 ( 1.482 -9.098 4.626) 10.314 8.284 ( 10.335 7.502 5.589) 13.940 8.470 ( 13.293 -10.373 5.829) 17.841 8.898 ( -11.630 5.835 0.148) 13.012 9.028 ( -13.716 -6.880 1.011) 15.378 9.250 ( 23.852 12.739 1.761) 27.098 9.569 ( 25.797 -17.422 0.359) 31.131 10.417 ( 1.727 6.838 -5.504) 8.947 10.539 ( -4.142 -1.652 -8.435) 9.542 10.738 ( -5.046 5.489 0.629) 7.483 10.870 ( -8.344 -3.808 3.322) 9.755 11.122 ( -3.918 8.530 -2.481) 9.709 11.318 ( -5.508 -9.266 -6.367) 12.519 12.307 ( -8.133 10.904 -4.525) 14.336 12.452 ( -7.561 8.766 -0.323) 11.581 12.514 ( -4.729 -6.810 -5.952) 10.207 12.676 ( -5.464 -9.898 -1.256) 11.376 13.118 ( 12.754 6.516 3.031) 14.639 13.234 ( 8.997 -4.138 -1.654) 10.040 13.544 ( 3.991 3.654 -8.715) 10.258 13.635 ( 5.708 -4.411 -12.152) 14.132 13.846 ( 4.101 3.097 -2.800) 5.852 13.882 ( -1.767 -2.638 4.117) 5.199 14.250 ( -1.556 2.894 6.491) 7.275 14.400 ( 4.512 -9.580 8.169) 13.374 15.007 ( -2.013 9.679 -6.565) 11.867 15.077 ( 0.518 1.596 -3.832) 4.183 15.139 ( -8.590 4.621 -6.796) 11.888 15.324 ( 0.174 -12.122 1.463) 12.211 15.909 ( 23.699 15.655 -1.660) 28.451 16.171 ( 24.084 -11.146 -0.145) 26.538 16.559 ( 12.613 30.538 8.871) 34.211 17.156 ( 6.784 -19.784 5.211) 21.555 17.325 ( -15.907 11.413 -6.463) 20.617 17.568 ( 9.276 -0.422 9.768) 13.478 17.700 ( -1.331 -16.221 5.397) 17.147 17.810 ( -1.629 -18.411 9.680) 20.864 18.095 ( -10.904 1.194 1.170) 11.032 18.178 ( -17.833 -6.693 -5.472) 19.818 18.379 ( -13.023 7.646 9.464) 17.822 18.550 ( -15.683 -9.698 8.698) 20.387 21.599 ( 4.580 10.795 -5.179) 12.819 21.646 ( 2.833 7.170 -5.157) 9.275 21.740 ( 0.558 -1.264 -3.899) 4.137 21.765 ( -0.838 -4.474 -6.443) 7.888 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 8.087 7.654 1.595) 11.248 2.729 ( 1.379 5.492 1.271) 5.803 2.845 ( 2.255 -8.983 -1.968) 9.469 2.941 ( -4.885 -12.904 -1.147) 13.845 3.242 ( 4.358 3.184 -1.928) 5.731 3.307 ( 2.279 -1.699 0.820) 2.959 3.403 ( -5.200 -0.970 0.108) 5.291 3.458 ( -7.081 -5.097 4.112) 9.645 4.060 ( -0.032 4.747 -1.494) 4.977 4.118 ( -4.799 3.446 -2.133) 6.281 4.142 ( -1.074 -2.855 -0.662) 3.121 4.185 ( -4.507 -2.484 -2.465) 5.706 7.676 ( 9.880 5.914 10.300) 15.449 7.704 ( 6.708 6.205 9.347) 13.072 7.787 ( 5.233 3.810 11.841) 13.495 7.924 ( -4.791 -6.377 8.417) 11.596 8.454 ( 7.458 7.556 3.698) 11.242 8.639 ( -4.688 -0.927 1.246) 4.938 8.664 ( -0.658 -5.614 3.183) 6.487 8.793 ( -8.508 -8.682 1.036) 12.200 9.783 ( 25.349 18.374 -6.065) 31.890 10.124 ( 21.937 -13.039 -7.246) 26.528 10.257 ( -16.576 14.125 -11.909) 24.821 10.461 ( -5.468 -2.680 -8.413) 10.386 10.746 ( 3.866 0.514 3.744) 5.406 10.826 ( 9.763 -5.877 3.735) 11.992 10.984 ( -10.407 2.530 -2.351) 10.965 11.111 ( -14.468 -7.614 -0.569) 16.359 12.181 ( -1.349 15.604 -1.199) 15.708 12.261 ( -7.952 15.793 2.200) 17.818 12.467 ( 0.693 -13.852 -4.747) 14.660 12.546 ( -6.078 -13.625 -1.231) 14.970 13.386 ( 10.874 4.226 0.025) 11.666 13.424 ( 7.299 2.529 -2.941) 8.265 13.591 ( 0.491 -0.227 -3.176) 3.222 13.663 ( -5.300 -8.357 -0.490) 9.908 13.908 ( 6.341 7.397 -7.346) 12.202 14.003 ( 8.805 -3.130 -6.663) 11.477 14.128 ( -6.029 3.563 -2.635) 7.482 14.313 ( -11.257 -12.846 -6.449) 18.257 14.975 ( -0.004 16.720 -2.750) 16.945 15.012 ( -3.221 9.879 -3.237) 10.883 15.157 ( 6.072 -3.521 6.695) 9.700 15.277 ( -4.517 -11.813 6.135) 14.056 16.443 ( 22.941 22.893 -9.768) 33.849 16.671 ( 12.381 7.072 -5.730) 15.367 16.895 ( 18.924 12.305 12.755) 25.928 17.052 ( -3.307 -2.747 -6.844) 8.083 17.306 ( 5.250 -11.304 7.025) 14.306 17.460 ( -8.391 -23.164 -1.494) 24.682 17.548 ( -19.702 2.831 11.832) 23.155 17.688 ( -18.780 -9.897 9.362) 23.201 17.953 ( 9.956 -1.717 5.796) 11.647 18.045 ( 5.754 -8.047 9.191) 13.503 18.181 ( -7.344 -1.334 9.669) 12.215 18.234 ( -14.396 -6.674 8.406) 17.957 21.684 ( 3.304 5.643 -6.392) 9.144 21.701 ( 2.206 4.524 -6.843) 8.494 21.735 ( -1.137 1.402 -5.771) 6.047 21.743 ( -1.375 0.438 -7.357) 7.497 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 0.000 33.009) 33.009 1.573 ( 0.000 0.000 36.551) 36.551 2.429 ( 0.000 0.000 49.021) 49.021 3.088 ( 0.000 0.000 3.940) 3.940 3.132 ( 0.000 0.000 -14.329) 14.329 3.382 ( 0.000 0.000 1.809) 1.809 3.799 ( 0.000 0.000 -0.455) 0.455 3.946 ( 0.000 0.000 -1.832) 1.832 4.163 ( 0.000 0.000 -5.440) 5.440 4.189 ( 0.000 0.000 -9.472) 9.472 4.690 ( 0.000 0.000 -19.471) 19.471 4.731 ( 0.000 0.000 -2.504) 2.504 6.379 ( 0.000 0.000 8.052) 8.052 7.128 ( 0.000 0.000 10.085) 10.085 7.572 ( 0.000 0.000 12.172) 12.172 7.771 ( 0.000 0.000 -7.156) 7.156 8.054 ( 0.000 0.000 12.029) 12.029 8.158 ( 0.000 0.000 0.113) 0.113 8.164 ( 0.000 0.000 26.090) 26.090 8.798 ( 0.000 0.000 3.211) 3.211 9.872 ( 0.000 0.000 -12.608) 12.608 9.913 ( 0.000 0.000 -19.683) 19.683 10.109 ( 0.000 0.000 -8.968) 8.968 10.641 ( 0.000 0.000 -9.767) 9.767 10.738 ( 0.000 0.000 10.245) 10.245 11.206 ( 0.000 0.000 -10.418) 10.418 11.347 ( 0.000 0.000 2.033) 2.033 11.522 ( 0.000 0.000 0.816) 0.816 11.992 ( 0.000 0.000 -11.797) 11.797 12.348 ( 0.000 0.000 17.236) 17.236 12.625 ( 0.000 0.000 19.368) 19.368 12.659 ( 0.000 0.000 3.461) 3.461 12.749 ( 0.000 0.000 -0.747) 0.747 13.203 ( 0.000 0.000 -1.501) 1.501 13.413 ( 0.000 0.000 13.056) 13.056 13.429 ( 0.000 0.000 -9.770) 9.770 13.493 ( 0.000 0.000 14.222) 14.222 13.905 ( 0.000 0.000 -21.728) 21.728 14.004 ( 0.000 0.000 -6.983) 6.983 14.095 ( 0.000 0.000 -0.262) 0.262 14.504 ( 0.000 0.000 11.431) 11.431 14.896 ( 0.000 0.000 19.823) 19.823 15.224 ( 0.000 0.000 -29.869) 29.869 15.381 ( 0.000 0.000 23.652) 23.652 15.420 ( 0.000 0.000 -16.979) 16.979 15.498 ( 0.000 0.000 -5.483) 5.483 15.878 ( 0.000 0.000 -9.650) 9.650 17.077 ( 0.000 0.000 18.708) 18.708 17.648 ( 0.000 0.000 -34.622) 34.622 17.921 ( 0.000 0.000 22.140) 22.140 17.992 ( 0.000 0.000 -13.872) 13.872 18.531 ( 0.000 0.000 -10.589) 10.589 18.782 ( 0.000 0.000 0.768) 0.768 18.832 ( 0.000 0.000 2.846) 2.846 19.360 ( 0.000 0.000 -13.898) 13.898 19.362 ( 0.000 0.000 -3.411) 3.411 20.685 ( 0.000 0.000 24.735) 24.735 20.875 ( 0.000 0.000 5.879) 5.879 21.719 ( 0.000 0.000 1.817) 1.817 21.980 ( 0.000 0.000 -6.634) 6.634 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 8.528 0.000 27.491) 28.784 1.780 ( 18.120 0.000 29.869) 34.936 2.724 ( 23.856 0.000 42.852) 49.045 3.113 ( 2.337 0.000 3.851) 4.505 3.158 ( 2.691 0.000 -14.250) 14.502 3.323 ( -4.113 0.000 -0.387) 4.132 3.741 ( -5.711 0.000 -2.083) 6.079 3.968 ( 2.026 0.000 -1.092) 2.301 4.113 ( -4.645 0.000 -5.434) 7.149 4.156 ( -2.883 0.000 -8.271) 8.759 4.596 ( -8.660 0.000 -17.489) 19.516 4.674 ( -5.217 0.000 -1.206) 5.354 6.436 ( 5.325 0.000 8.189) 9.768 6.857 ( -11.673 0.000 13.414) 17.782 7.637 ( 5.353 0.000 14.125) 15.105 7.878 ( 6.111 0.000 -7.589) 9.744 8.053 ( 4.221 0.000 16.828) 17.349 8.435 ( 21.066 0.000 16.862) 26.984 8.462 ( 18.588 0.000 1.153) 18.623 8.800 ( 0.370 0.000 3.217) 3.238 9.715 ( -9.362 0.000 -11.384) 14.739 9.794 ( -11.020 0.000 -15.591) 19.092 10.324 ( 13.791 0.000 -7.844) 15.866 10.533 ( -10.703 0.000 -9.904) 14.582 10.686 ( -2.761 0.000 5.552) 6.201 11.279 ( 4.597 0.000 -9.084) 10.181 11.308 ( -2.615 0.000 4.061) 4.831 11.531 ( -0.956 0.000 4.015) 4.127 12.012 ( 1.193 0.000 -10.986) 11.051 12.260 ( -7.291 0.000 14.966) 16.647 12.465 ( -6.634 0.000 7.656) 10.131 12.654 ( -1.080 0.000 4.140) 4.278 12.811 ( 4.410 0.000 -2.158) 4.910 13.113 ( -6.011 0.000 -4.358) 7.425 13.247 ( -7.068 0.000 4.484) 8.370 13.580 ( 3.429 0.000 1.697) 3.826 13.683 ( -1.803 0.000 -3.036) 3.531 13.844 ( 20.683 0.000 3.266) 20.940 14.155 ( 6.561 0.000 -9.769) 11.768 14.197 ( 6.651 0.000 -7.125) 9.746 14.400 ( -8.068 0.000 6.508) 10.365 15.103 ( -6.895 0.000 -17.397) 18.713 15.118 ( 18.762 0.000 23.274) 29.895 15.322 ( -6.425 0.000 -12.627) 14.168 15.537 ( 3.069 0.000 -3.036) 4.317 15.550 ( 3.071 0.000 9.215) 9.713 15.863 ( 4.936 0.000 -9.875) 11.040 16.988 ( -4.546 0.000 22.557) 23.010 17.295 ( -23.739 0.000 -29.081) 37.540 18.138 ( 15.806 0.000 19.454) 25.066 18.214 ( 10.914 0.000 -14.889) 18.460 18.337 ( -6.215 0.000 3.450) 7.108 18.853 ( 2.008 0.000 2.888) 3.517 19.049 ( 9.641 0.000 -8.143) 12.619 19.268 ( -6.664 0.000 -13.929) 15.441 19.358 ( -0.418 0.000 -2.921) 2.951 20.709 ( 2.536 0.000 20.758) 20.913 20.851 ( -2.003 0.000 3.272) 3.836 21.701 ( -1.712 0.000 0.678) 1.842 21.815 ( -13.210 0.000 -5.719) 14.395 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 14.973 0.000 14.541) 20.871 2.237 ( 23.556 0.000 18.624) 30.029 3.093 ( 4.560 0.000 18.912) 19.454 3.176 ( 3.336 0.000 3.649) 4.944 3.189 ( -0.453 0.000 -11.466) 11.475 3.384 ( 7.774 0.000 1.007) 7.839 3.657 ( 4.010 0.000 -0.329) 4.024 3.986 ( -6.978 0.000 -5.397) 8.822 3.987 ( -0.538 0.000 -1.574) 1.663 4.076 ( -4.730 0.000 -4.509) 6.535 4.355 ( -13.551 0.000 -13.288) 18.979 4.549 ( -5.359 0.000 3.110) 6.196 6.595 ( 9.785 0.000 8.303) 12.833 6.829 ( 8.440 0.000 8.713) 12.131 7.748 ( 4.174 0.000 16.289) 16.815 8.023 ( 7.631 0.000 -4.983) 9.114 8.229 ( 11.280 0.000 14.774) 18.588 8.726 ( 6.648 0.000 8.402) 10.713 8.849 ( 5.579 0.000 3.574) 6.626 8.982 ( 30.208 0.000 9.788) 31.754 9.493 ( -16.418 0.000 -6.231) 17.561 9.537 ( -7.583 0.000 -9.064) 11.818 10.162 ( -22.047 0.000 -12.170) 25.182 10.605 ( 9.840 0.000 -1.726) 9.991 10.677 ( 2.208 0.000 -0.144) 2.213 11.245 ( -3.305 0.000 9.876) 10.414 11.325 ( -0.739 0.000 -8.936) 8.967 11.406 ( -10.771 0.000 12.079) 16.184 12.042 ( -14.795 0.000 7.243) 16.473 12.057 ( 3.391 0.000 -11.555) 12.042 12.498 ( 9.159 0.000 -2.736) 9.559 12.703 ( 5.950 0.000 -8.813) 10.633 12.881 ( 1.339 0.000 -8.704) 8.806 12.991 ( -3.960 0.000 -9.369) 10.172 13.123 ( -4.588 0.000 4.710) 6.576 13.420 ( -5.330 0.000 -6.477) 8.388 13.991 ( 14.590 0.000 13.249) 19.708 14.163 ( 4.705 0.000 -11.241) 12.186 14.208 ( -6.879 0.000 9.111) 11.416 14.316 ( 10.076 0.000 -12.401) 15.979 14.384 ( 14.523 0.000 2.940) 14.817 14.963 ( -8.076 0.000 -21.330) 22.808 15.018 ( -19.909 0.000 -17.715) 26.650 15.557 ( 8.162 0.000 14.222) 16.398 15.608 ( 5.455 0.000 24.003) 24.615 15.641 ( 20.349 0.000 13.702) 24.532 16.133 ( 17.225 0.000 -8.708) 19.301 16.776 ( -25.180 0.000 -25.884) 36.111 17.005 ( 7.649 0.000 22.200) 23.481 18.277 ( 3.229 0.000 8.016) 8.642 18.310 ( -2.700 0.000 -5.929) 6.515 18.503 ( 13.389 0.000 20.003) 24.071 18.895 ( -17.435 0.000 -7.825) 19.111 18.915 ( 3.940 0.000 3.292) 5.134 19.223 ( -4.405 0.000 -5.188) 6.806 19.341 ( -1.314 0.000 -1.460) 1.964 20.806 ( 6.947 0.000 10.233) 12.369 20.814 ( -0.883 0.000 -4.099) 4.194 21.530 ( -12.805 0.000 -10.108) 16.313 21.647 ( -3.517 0.000 -2.219) 4.158 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 18.224 0.000 2.454) 18.389 2.699 ( 19.705 0.000 10.125) 22.154 3.030 ( -6.791 0.000 -2.214) 7.143 3.233 ( 1.466 0.000 3.509) 3.803 3.236 ( 1.988 0.000 -6.481) 6.779 3.349 ( -4.201 0.000 -5.160) 6.654 3.736 ( -4.387 0.000 -1.532) 4.647 3.848 ( -5.501 0.000 -5.402) 7.710 3.946 ( -6.617 0.000 -6.675) 9.399 4.072 ( -12.623 0.000 -9.548) 15.827 4.127 ( 13.279 0.000 13.661) 19.052 4.482 ( -1.461 0.000 8.100) 8.231 6.847 ( 14.377 0.000 7.815) 16.363 7.159 ( 21.838 0.000 3.229) 22.075 7.759 ( -4.440 0.000 12.763) 13.513 8.159 ( 3.881 0.000 -2.038) 4.384 8.475 ( 11.684 0.000 14.648) 18.737 8.847 ( 6.629 0.000 12.585) 14.224 8.983 ( 5.433 0.000 3.546) 6.488 9.161 ( -13.888 0.000 6.063) 15.154 9.393 ( -6.604 0.000 -6.762) 9.452 9.653 ( 32.619 0.000 1.556) 32.656 9.675 ( -21.859 0.000 -14.793) 26.394 10.703 ( -0.086 0.000 6.209) 6.210 10.778 ( 7.282 0.000 -3.207) 7.957 11.084 ( -13.059 0.000 15.098) 19.962 11.240 ( -7.822 0.000 -9.201) 12.077 11.306 ( 4.928 0.000 10.196) 11.324 11.630 ( -23.176 0.000 -4.674) 23.643 12.044 ( -6.923 0.000 -3.994) 7.992 12.763 ( 13.441 0.000 -8.710) 16.016 12.867 ( 8.557 0.000 -17.330) 19.327 12.887 ( 1.129 0.000 -11.100) 11.157 12.979 ( 0.877 0.000 -5.699) 5.767 13.132 ( 7.828 0.000 -3.491) 8.571 13.380 ( 0.720 0.000 -1.055) 1.277 13.895 ( -12.846 0.000 -1.833) 12.976 14.172 ( -0.420 0.000 -17.858) 17.863 14.402 ( 15.563 0.000 11.981) 19.640 14.456 ( -21.164 0.000 -16.686) 26.951 14.624 ( -7.528 0.000 -8.556) 11.396 14.626 ( 17.483 0.000 -3.757) 17.882 14.952 ( 9.722 0.000 2.056) 9.937 15.548 ( -3.277 0.000 7.505) 8.189 15.673 ( -1.745 0.000 25.083) 25.143 16.182 ( 1.883 0.000 1.623) 2.486 16.337 ( 6.966 0.000 0.545) 6.987 16.570 ( 25.342 0.000 -4.808) 25.794 17.314 ( 20.473 0.000 15.531) 25.698 18.094 ( -17.528 0.000 5.273) 18.304 18.398 ( 4.390 0.000 6.845) 8.131 18.429 ( -18.932 0.000 -1.752) 19.013 18.727 ( 3.249 0.000 22.122) 22.359 18.983 ( -17.375 0.000 4.011) 17.832 19.013 ( 5.214 0.000 3.342) 6.193 19.298 ( -2.883 0.000 0.426) 2.914 20.834 ( 3.091 0.000 -12.342) 12.723 20.991 ( 10.341 0.000 -0.637) 10.360 21.294 ( -9.949 0.000 -15.790) 18.663 21.552 ( -5.660 0.000 -5.533) 7.916 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 18.935 0.000 -5.115) 19.614 2.807 ( -14.823 0.000 -7.730) 16.718 3.034 ( 12.198 0.000 5.339) 13.315 3.208 ( -4.482 0.000 3.698) 5.811 3.247 ( 0.726 0.000 -2.938) 3.027 3.289 ( -2.640 0.000 -8.079) 8.499 3.688 ( 2.170 0.000 -2.459) 3.279 3.786 ( 0.092 0.000 -5.763) 5.763 3.798 ( -7.015 0.000 -4.340) 8.249 3.861 ( -7.076 0.000 -7.047) 9.986 4.350 ( 7.311 0.000 13.547) 15.394 4.449 ( -2.599 0.000 11.452) 11.743 7.187 ( 17.720 0.000 6.804) 18.981 7.545 ( -15.151 0.000 7.578) 16.941 7.673 ( 25.276 0.000 1.214) 25.306 8.096 ( -12.153 0.000 1.305) 12.223 8.707 ( 10.480 0.000 16.587) 19.620 8.917 ( -10.094 0.000 15.208) 18.253 8.963 ( 3.263 0.000 5.015) 5.984 9.028 ( -2.371 0.000 2.091) 3.162 9.275 ( 0.257 0.000 -12.107) 12.110 9.384 ( -7.316 0.000 -3.435) 8.082 10.318 ( 30.705 0.000 -6.912) 31.473 10.698 ( 2.099 0.000 12.194) 12.373 10.830 ( -10.094 0.000 14.983) 18.066 10.911 ( -22.868 0.000 -11.580) 25.633 10.974 ( 8.825 0.000 -4.262) 9.800 11.217 ( -13.895 0.000 -5.461) 14.929 11.502 ( 12.555 0.000 8.269) 15.034 11.796 ( -14.646 0.000 4.706) 15.383 12.936 ( 2.915 0.000 -6.982) 7.566 12.968 ( 5.886 0.000 -16.484) 17.504 12.982 ( -1.057 0.000 -5.984) 6.077 13.001 ( 2.943 0.000 -19.546) 19.767 13.446 ( 5.964 0.000 -1.156) 6.075 13.458 ( 21.213 0.000 -10.091) 23.490 13.632 ( -11.440 0.000 -1.907) 11.598 13.945 ( -24.653 0.000 -13.757) 28.232 14.219 ( 5.765 0.000 -17.326) 18.260 14.410 ( -11.384 0.000 -17.617) 20.976 14.727 ( 14.393 0.000 5.544) 15.424 14.888 ( 2.971 0.000 2.360) 3.794 15.249 ( 15.168 0.000 18.802) 24.157 15.519 ( 4.635 0.000 1.295) 4.812 15.530 ( -11.012 0.000 22.673) 25.205 15.792 ( -18.869 0.000 -11.912) 22.315 16.966 ( 32.807 0.000 19.735) 38.285 17.156 ( 29.145 0.000 -4.149) 29.439 17.610 ( -27.933 0.000 14.076) 31.279 17.645 ( -5.480 0.000 1.794) 5.766 18.062 ( 3.952 0.000 3.832) 5.505 18.480 ( -20.375 0.000 12.803) 24.063 18.605 ( 4.938 0.000 13.625) 14.492 18.743 ( -4.996 0.000 19.694) 20.317 19.123 ( 5.140 0.000 2.837) 5.871 19.222 ( -4.278 0.000 1.873) 4.670 20.941 ( 6.797 0.000 -17.075) 18.378 21.103 ( -8.528 0.000 -18.058) 19.971 21.213 ( 10.326 0.000 -6.531) 12.218 21.408 ( -8.186 0.000 -7.564) 11.145 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 19.973 26.904) 33.507 1.586 ( 0.000 5.301 32.234) 32.667 2.725 ( 0.000 24.969 38.685) 46.043 3.033 ( 0.000 -5.319 -6.560) 8.445 3.186 ( 0.000 4.944 -3.446) 6.027 3.335 ( 0.000 -4.878 2.427) 5.448 3.783 ( 0.000 -1.501 -1.280) 1.973 3.969 ( 0.000 2.274 -3.418) 4.105 4.039 ( 0.000 -6.241 -9.131) 11.060 4.244 ( 0.000 -0.086 -4.200) 4.201 4.650 ( 0.000 -4.096 -18.467) 18.915 4.687 ( 0.000 -4.332 -2.957) 5.245 6.551 ( 0.000 15.206 6.749) 16.637 7.140 ( 0.000 1.208 9.997) 10.069 7.588 ( 0.000 1.382 13.231) 13.303 7.668 ( 0.000 -7.833 -2.452) 8.208 8.048 ( 0.000 -3.923 11.258) 11.922 8.106 ( 0.000 -0.007 -0.043) 0.043 8.127 ( 0.000 -3.869 23.734) 24.047 8.857 ( 0.000 6.058 3.467) 6.980 9.700 ( 0.000 -12.134 -14.643) 19.018 10.079 ( 0.000 10.547 -16.157) 19.295 10.139 ( 0.000 2.723 -9.317) 9.707 10.450 ( 0.000 -16.399 -8.126) 18.302 10.788 ( 0.000 4.355 7.462) 8.640 11.271 ( 0.000 -4.535 8.000) 9.195 11.301 ( 0.000 6.420 -8.813) 10.904 11.478 ( 0.000 -3.414 1.796) 3.857 11.986 ( 0.000 0.586 -13.208) 13.221 12.531 ( 0.000 15.611 15.857) 22.252 12.585 ( 0.000 -0.620 13.731) 13.745 12.655 ( 0.000 -0.237 3.864) 3.872 12.857 ( 0.000 5.652 4.278) 7.088 13.103 ( 0.000 -7.115 -2.883) 7.677 13.319 ( 0.000 -5.378 8.729) 10.253 13.501 ( 0.000 0.811 -11.460) 11.489 13.608 ( 0.000 6.970 15.140) 16.668 13.891 ( 0.000 -0.893 -15.315) 15.341 13.937 ( 0.000 -5.933 -7.575) 9.622 14.086 ( 0.000 1.900 -4.696) 5.066 14.672 ( 0.000 12.843 13.708) 18.784 14.901 ( 0.000 0.766 21.378) 21.392 15.194 ( 0.000 -2.957 -30.500) 30.643 15.358 ( 0.000 -1.020 7.597) 7.665 15.465 ( 0.000 -0.579 3.570) 3.616 15.495 ( 0.000 7.098 -15.899) 17.412 15.975 ( 0.000 7.326 -8.178) 10.979 17.045 ( 0.000 -2.792 19.755) 19.951 17.682 ( 0.000 2.369 -28.676) 28.774 17.848 ( 0.000 -7.035 17.609) 18.962 18.020 ( 0.000 2.806 -13.764) 14.047 18.492 ( 0.000 -7.284 -8.536) 11.222 18.597 ( 0.000 -17.897 1.611) 17.970 18.652 ( 0.000 -11.960 10.020) 15.602 19.192 ( 0.000 -12.576 -7.731) 14.762 19.240 ( 0.000 -10.717 -9.928) 14.609 20.841 ( 0.000 14.419 19.899) 24.574 21.033 ( 0.000 14.063 4.971) 14.916 21.730 ( 0.000 1.027 1.673) 1.963 22.038 ( 0.000 3.006 -7.979) 8.526 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 6.869 18.241 22.772) 29.975 1.782 ( 16.819 3.094 27.985) 32.797 2.947 ( 16.220 17.014 29.701) 37.877 3.067 ( 4.256 -2.439 -0.233) 4.911 3.184 ( 0.299 1.585 -6.444) 6.643 3.304 ( -1.552 -1.942 1.086) 2.713 3.729 ( -5.150 -1.043 -2.672) 5.895 3.981 ( 0.962 1.141 -3.968) 4.240 4.003 ( -3.348 -5.762 -6.899) 9.593 4.198 ( -3.876 0.005 -4.127) 5.662 4.570 ( -7.406 -2.715 -16.665) 18.437 4.631 ( -5.031 -4.149 -1.694) 6.738 6.611 ( 5.616 15.175 6.932) 17.603 6.914 ( -10.155 6.666 11.389) 16.651 7.652 ( 5.348 1.237 15.644) 16.579 7.818 ( 9.015 -6.129 -1.464) 11.000 8.020 ( 2.314 -2.277 10.982) 11.452 8.324 ( 18.128 -10.700 7.164) 22.236 8.431 ( 19.753 -1.035 13.334) 23.855 8.854 ( -0.217 5.573 3.261) 6.461 9.639 ( -4.421 -7.178 -11.677) 14.402 9.857 ( -14.940 3.437 -12.488) 19.773 10.299 ( 9.489 -3.316 -7.526) 12.557 10.484 ( -0.865 -0.760 -9.410) 9.480 10.785 ( -1.170 6.603 3.880) 7.748 11.037 ( -9.348 -11.095 -1.318) 14.568 11.431 ( 0.248 -3.194 7.086) 7.777 11.501 ( 2.716 2.876 -1.938) 4.405 12.018 ( 2.158 1.749 -11.436) 11.768 12.393 ( -6.499 9.122 7.404) 13.427 12.517 ( -6.224 6.156 9.855) 13.182 12.636 ( -2.216 -1.001 4.744) 5.331 12.881 ( 1.986 3.828 0.601) 4.355 13.068 ( -2.466 -1.575 -5.638) 6.352 13.268 ( -6.040 -0.033 2.063) 6.383 13.503 ( 1.425 -8.045 -1.024) 8.234 13.740 ( 0.760 4.161 -7.513) 8.622 13.899 ( 18.415 4.924 8.556) 20.894 14.046 ( 2.973 -1.062 -2.720) 4.167 14.208 ( 7.894 -3.603 -9.807) 13.095 14.590 ( -3.503 13.952 6.815) 15.917 15.050 ( -0.471 -3.424 3.367) 4.825 15.154 ( 8.696 0.820 -2.032) 8.968 15.319 ( -2.284 0.167 -6.207) 6.616 15.459 ( -5.505 -0.549 -12.489) 13.660 15.592 ( 8.030 1.919 10.089) 13.036 15.958 ( 2.439 6.324 -6.248) 9.219 16.982 ( -2.895 0.310 21.731) 21.925 17.365 ( -21.478 6.641 -26.371) 34.653 18.055 ( 16.533 -9.150 18.848) 26.689 18.230 ( 9.250 1.289 -13.519) 16.431 18.327 ( -4.763 -0.954 1.581) 5.109 18.594 ( 1.104 -22.877 3.757) 23.210 18.909 ( 11.188 -16.734 -0.050) 20.130 19.123 ( -8.750 -11.736 -7.667) 16.525 19.205 ( -0.875 -9.755 -9.332) 13.528 20.855 ( 1.604 13.604 16.621) 21.538 21.014 ( -1.544 14.437 2.601) 14.751 21.713 ( -1.656 1.185 0.442) 2.084 21.897 ( -11.592 5.185 -7.521) 14.759 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 12.152 13.870 13.237) 22.700 2.207 ( 21.990 -1.123 19.358) 29.318 3.075 ( -0.031 -5.959 -2.431) 6.436 3.144 ( 1.609 2.394 5.011) 5.782 3.222 ( -0.329 -0.089 -5.078) 5.090 3.462 ( 8.970 6.976 7.662) 13.705 3.622 ( -0.223 -4.251 -0.507) 4.287 3.909 ( -4.728 -3.931 -5.147) 8.019 3.992 ( 0.245 0.998 -3.266) 3.424 4.100 ( -5.205 0.121 -2.297) 5.691 4.363 ( -11.739 0.493 -12.189) 16.930 4.511 ( -5.283 -3.577 1.764) 6.619 6.779 ( 9.638 17.450 6.702) 21.032 6.883 ( 7.901 5.793 9.185) 13.429 7.770 ( 5.128 1.494 18.069) 18.842 8.016 ( 9.181 -0.667 -3.043) 9.695 8.164 ( 10.570 -5.815 11.730) 16.827 8.645 ( 11.582 -7.415 10.592) 17.358 8.860 ( 2.440 1.670 2.122) 3.639 8.924 ( 25.207 -4.488 10.042) 27.503 9.514 ( -16.837 1.281 -4.610) 17.504 9.564 ( -1.656 1.157 -6.712) 7.010 10.243 ( -20.381 9.010 -11.927) 25.275 10.479 ( 5.963 -9.260 -3.264) 11.488 10.781 ( 2.215 6.971 -0.805) 7.358 10.977 ( 1.810 -15.229 1.987) 15.464 11.336 ( -8.923 -5.556 10.324) 14.733 11.489 ( -3.909 4.019 0.325) 5.615 12.059 ( -0.857 4.448 -8.002) 9.195 12.213 ( -11.480 11.430 0.526) 16.208 12.508 ( 7.172 0.863 -4.314) 8.414 12.659 ( 4.931 -3.719 -6.693) 9.107 12.891 ( -0.998 -2.708 -0.780) 2.989 12.997 ( -3.769 5.143 -15.731) 16.975 13.160 ( -1.714 2.932 2.662) 4.315 13.496 ( -0.015 4.873 0.472) 4.896 13.927 ( 5.668 -8.041 1.237) 9.916 14.011 ( 4.747 -1.477 -2.516) 5.572 14.228 ( 2.405 -1.384 -6.836) 7.377 14.401 ( 13.661 7.276 11.995) 19.581 14.620 ( 7.526 15.152 -5.938) 17.930 14.943 ( -5.942 -0.821 -19.358) 20.266 15.037 ( -18.581 1.942 -12.699) 22.590 15.308 ( -2.566 -12.452 5.429) 13.825 15.624 ( 20.541 -2.849 12.519) 24.224 15.791 ( 12.862 8.839 21.891) 26.885 16.143 ( 13.766 -0.019 -3.834) 14.290 16.834 ( -19.543 6.617 -17.380) 26.977 17.084 ( 4.671 7.990 14.532) 17.229 18.243 ( 0.355 -2.438 3.667) 4.418 18.361 ( -0.236 3.726 -3.462) 5.092 18.415 ( 13.581 -9.233 18.239) 24.543 18.628 ( 2.434 -25.602 3.855) 26.005 18.820 ( -16.635 -7.461 -5.740) 19.114 19.051 ( -0.357 -25.675 1.682) 25.732 19.165 ( -3.867 -5.634 -4.286) 8.066 20.923 ( 5.148 11.351 7.338) 14.464 20.987 ( -0.480 14.905 -3.419) 15.299 21.625 ( -10.794 6.652 -9.854) 16.058 21.672 ( -4.629 2.710 -3.341) 6.319 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 15.647 8.492 3.094) 18.070 2.631 ( 17.143 -4.975 11.874) 21.438 3.023 ( -4.121 -2.361 -5.246) 7.076 3.167 ( -1.953 -2.813 1.742) 3.842 3.247 ( 3.723 -0.310 -10.263) 10.921 3.389 ( -6.257 0.417 -1.882) 6.548 3.672 ( -1.020 -6.996 0.201) 7.073 3.791 ( -7.168 -1.709 -2.145) 7.675 3.961 ( -6.068 0.079 -6.459) 8.862 4.085 ( -4.721 1.343 -2.475) 5.497 4.161 ( 3.222 2.701 3.894) 5.731 4.435 ( -2.326 -4.440 6.252) 8.013 7.001 ( 12.715 14.753 7.750) 20.962 7.221 ( 22.158 6.601 4.391) 23.533 7.815 ( -2.366 4.942 14.060) 15.090 8.168 ( 4.418 1.297 -0.302) 4.615 8.410 ( 12.064 -6.345 13.139) 18.932 8.825 ( 5.561 -1.764 10.884) 12.349 8.933 ( 4.477 -4.242 4.967) 7.919 9.195 ( -11.703 1.644 4.760) 12.740 9.300 ( 4.025 -6.725 -0.488) 7.853 9.739 ( 20.810 5.265 -1.122) 21.495 9.761 ( -21.054 10.217 -15.111) 27.857 10.545 ( 0.566 -12.286 1.451) 12.384 10.856 ( 5.279 5.119 -2.811) 7.872 11.036 ( -1.940 -4.187 10.489) 11.460 11.130 ( -4.633 -6.305 5.231) 9.412 11.363 ( -9.347 -0.372 -3.157) 9.872 11.770 ( -17.407 12.498 -4.141) 21.825 12.095 ( -7.685 5.537 -3.729) 10.180 12.669 ( 5.463 -8.426 -11.135) 14.994 12.800 ( 5.303 -5.175 -12.824) 14.811 12.934 ( 7.892 1.113 -2.657) 8.402 12.983 ( 3.549 5.218 -10.586) 12.324 13.202 ( 5.555 5.926 -3.485) 8.839 13.523 ( 2.472 9.911 0.307) 10.219 13.843 ( -5.355 -3.942 -7.373) 9.929 14.148 ( -2.999 2.091 -10.023) 10.669 14.295 ( 7.429 -13.124 3.529) 15.489 14.464 ( -19.137 1.500 -12.519) 22.917 14.616 ( 0.486 5.393 -5.345) 7.609 14.873 ( 3.873 13.370 -13.446) 19.353 15.013 ( 16.348 8.377 11.819) 21.843 15.271 ( -1.749 -16.586 10.126) 19.512 15.797 ( -0.845 1.623 12.228) 12.364 16.273 ( 6.138 7.853 6.567) 11.936 16.336 ( 9.838 0.323 0.865) 9.881 16.622 ( 18.260 6.317 -2.401) 19.471 17.348 ( 18.050 3.729 14.444) 23.417 18.104 ( -16.149 0.365 4.998) 16.909 18.352 ( -21.375 -6.577 -6.721) 23.352 18.377 ( 4.299 -2.564 10.576) 11.701 18.641 ( 0.599 -11.103 17.784) 20.974 18.728 ( 5.849 -21.450 6.977) 23.302 18.896 ( -12.284 -13.752 3.329) 18.738 19.089 ( -3.053 -15.585 3.179) 16.196 20.998 ( 2.570 14.157 -10.975) 18.097 21.080 ( 8.584 8.558 -2.011) 12.287 21.405 ( -9.400 9.041 -15.208) 20.035 21.580 ( -5.186 2.539 -5.731) 8.135 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 16.904 3.828 -3.997) 17.787 2.790 ( -8.840 -2.250 -3.485) 9.765 2.964 ( 4.752 -4.072 0.657) 6.292 3.081 ( -5.190 -7.827 0.168) 9.393 3.309 ( 2.421 3.481 -3.808) 5.699 3.343 ( 0.300 0.061 -5.805) 5.813 3.648 ( -0.873 -4.864 -0.662) 4.985 3.663 ( -3.576 -5.010 -1.235) 6.278 3.862 ( -1.827 2.463 -5.415) 6.223 3.915 ( -6.411 3.962 -5.774) 9.494 4.305 ( 5.451 -4.109 10.504) 12.528 4.387 ( -2.782 -5.671 9.328) 11.266 7.310 ( 16.249 11.784 7.374) 21.384 7.624 ( -9.121 7.595 8.576) 14.643 7.747 ( 19.999 7.257 3.166) 21.509 8.127 ( -10.471 3.064 3.983) 11.614 8.649 ( 10.482 -5.382 15.093) 19.148 8.825 ( -5.604 -6.154 8.100) 11.614 8.993 ( 1.340 0.219 9.035) 9.137 9.059 ( -3.814 1.041 6.099) 7.268 9.296 ( 1.368 1.971 -8.615) 8.943 9.415 ( -9.166 4.856 -9.119) 13.811 10.282 ( 24.469 -2.592 -6.146) 25.362 10.543 ( -0.972 -10.186 3.662) 10.868 10.853 ( -5.961 1.464 9.427) 11.249 10.981 ( -8.962 0.021 -4.388) 9.978 11.048 ( -1.984 7.443 -3.408) 8.423 11.156 ( -3.409 -5.674 -0.991) 6.693 11.620 ( 4.362 11.038 3.087) 12.264 11.843 ( -14.012 5.618 4.124) 15.650 12.763 ( 4.301 -11.769 -12.385) 17.619 12.833 ( -1.494 -9.566 -12.458) 15.778 13.047 ( 4.193 5.749 -8.069) 10.758 13.098 ( 0.911 5.215 -8.481) 9.997 13.448 ( 17.347 0.273 -8.953) 19.523 13.600 ( 4.030 10.383 -2.842) 11.495 13.771 ( -1.688 11.096 -5.591) 12.539 13.968 ( -20.184 1.328 -11.960) 23.498 14.122 ( 0.230 -3.923 -12.835) 13.423 14.255 ( -9.118 -11.524 -15.240) 21.171 14.764 ( 11.486 -3.768 10.487) 16.003 14.958 ( -3.696 1.475 5.172) 6.526 15.257 ( 9.696 1.700 7.287) 12.248 15.371 ( 7.074 5.114 6.157) 10.682 15.711 ( -2.112 6.939 6.358) 9.645 15.918 ( -17.064 9.105 -7.303) 20.674 16.982 ( 32.120 2.137 19.061) 37.411 17.166 ( 28.293 0.835 -0.964) 28.322 17.596 ( -18.955 -0.084 10.933) 21.882 17.698 ( -15.239 3.840 4.419) 16.325 17.975 ( 3.915 -8.284 4.852) 10.368 18.363 ( -17.303 -12.271 10.667) 23.743 18.559 ( 2.059 -4.600 11.844) 12.871 18.654 ( -4.318 -9.301 15.876) 18.900 18.908 ( 5.797 -18.680 6.366) 20.569 19.014 ( -4.329 -18.457 4.923) 19.586 21.085 ( 5.609 12.537 -15.773) 20.915 21.218 ( -5.422 9.594 -16.020) 19.445 21.281 ( 6.950 6.721 -8.153) 12.647 21.449 ( -7.356 3.859 -7.866) 11.440 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.000 18.636 17.733) 25.725 2.039 ( 0.000 26.028 17.408) 31.313 2.878 ( 0.000 -10.780 -6.845) 12.770 3.168 ( 0.000 -1.402 6.614) 6.761 3.228 ( 0.000 11.927 16.661) 20.489 3.308 ( 0.000 7.027 -2.365) 7.414 3.757 ( 0.000 -0.421 -2.332) 2.370 3.942 ( 0.000 -1.424 -10.335) 10.433 4.055 ( 0.000 4.331 -2.723) 5.116 4.192 ( 0.000 -3.415 -2.157) 4.039 4.533 ( 0.000 -7.889 -15.365) 17.272 4.572 ( 0.000 -7.245 -3.945) 8.250 6.850 ( 0.000 13.520 10.766) 17.282 7.171 ( 0.000 1.764 9.617) 9.777 7.604 ( 0.000 2.832 -4.022) 4.919 7.613 ( 0.000 0.873 17.452) 17.473 7.887 ( 0.000 -9.806 13.764) 16.900 8.017 ( 0.000 -7.136 15.623) 17.176 8.230 ( 0.000 11.107 0.497) 11.118 9.032 ( 0.000 11.916 3.368) 12.383 9.396 ( 0.000 -19.243 -9.463) 21.444 10.082 ( 0.000 -20.386 -4.770) 20.937 10.197 ( 0.000 2.703 -10.444) 10.788 10.244 ( 0.000 4.473 -13.390) 14.118 10.913 ( 0.000 10.012 -1.370) 10.105 11.265 ( 0.000 3.548 13.479) 13.939 11.374 ( 0.000 0.157 8.875) 8.876 11.425 ( 0.000 -1.435 -12.627) 12.709 12.047 ( 0.000 6.430 -13.414) 14.876 12.613 ( 0.000 2.732 9.844) 10.216 12.651 ( 0.000 0.307 6.644) 6.652 12.858 ( 0.000 -7.747 3.293) 8.418 12.858 ( 0.000 15.698 14.932) 21.666 13.014 ( 0.000 0.037 -2.090) 2.090 13.238 ( 0.000 -2.615 2.196) 3.415 13.388 ( 0.000 -9.523 -10.256) 13.996 13.654 ( 0.000 -4.458 -3.563) 5.707 13.844 ( 0.000 -4.762 -8.940) 10.129 13.889 ( 0.000 4.517 9.687) 10.688 14.183 ( 0.000 5.296 -0.341) 5.307 14.810 ( 0.000 0.113 15.520) 15.521 14.915 ( 0.000 -0.354 16.069) 16.073 15.140 ( 0.000 -1.107 -22.945) 22.972 15.343 ( 0.000 -1.957 -10.748) 10.924 15.655 ( 0.000 22.827 11.665) 25.635 15.662 ( 0.000 9.366 -14.999) 17.683 16.071 ( 0.000 1.067 -8.436) 8.503 17.016 ( 0.000 1.559 21.115) 21.172 17.545 ( 0.000 -19.760 14.977) 24.794 17.726 ( 0.000 -9.803 -14.213) 17.265 18.092 ( 0.000 4.175 -14.245) 14.844 18.129 ( 0.000 -12.173 -3.719) 12.729 18.432 ( 0.000 -8.146 14.013) 16.209 18.470 ( 0.000 -3.548 -9.149) 9.813 18.976 ( 0.000 -9.591 -14.782) 17.621 19.012 ( 0.000 -11.480 -5.893) 12.904 21.176 ( 0.000 18.795 12.509) 22.577 21.330 ( 0.000 14.882 3.601) 15.312 21.744 ( 0.000 -0.054 1.617) 1.618 22.018 ( 0.000 -5.437 -5.095) 7.451 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 11.304 14.741 17.243) 25.346 2.075 ( 3.440 24.237 15.614) 29.035 2.902 ( 2.095 -10.093 -5.610) 11.736 3.145 ( -2.729 -7.642 -0.147) 8.116 3.273 ( -0.968 5.017 1.886) 5.446 3.349 ( 8.322 10.976 12.287) 18.458 3.712 ( -4.505 -0.064 -3.227) 5.542 3.925 ( -1.415 -0.219 -6.920) 7.066 4.040 ( -1.130 3.151 -3.476) 4.826 4.162 ( -2.469 -1.428 -2.222) 3.616 4.488 ( -4.254 -5.877 -14.152) 15.903 4.527 ( -4.134 -6.285 -2.890) 8.058 6.877 ( 3.099 11.087 12.640) 17.096 7.149 ( 0.499 15.008 3.546) 15.429 7.634 ( 2.696 -3.654 17.013) 17.608 7.740 ( 10.839 1.107 7.057) 12.981 7.963 ( 2.946 -4.720 4.216) 6.981 8.121 ( 15.340 -8.955 12.281) 21.595 8.445 ( 16.275 4.064 8.320) 18.724 9.016 ( -1.682 11.049 3.045) 11.584 9.414 ( 2.047 -16.274 -6.907) 17.798 9.830 ( -15.377 -7.632 -5.313) 17.970 10.223 ( 2.882 -2.243 -10.094) 10.734 10.475 ( 12.145 -4.669 -7.985) 15.267 10.893 ( -3.945 10.141 -2.590) 11.185 11.019 ( -14.665 6.758 0.923) 16.173 11.329 ( -4.395 -5.096 9.218) 11.413 11.530 ( 3.327 -1.401 -4.061) 5.433 12.093 ( 3.207 5.990 -9.873) 11.985 12.521 ( -3.981 4.794 3.400) 7.099 12.570 ( -4.492 -1.623 4.089) 6.288 12.743 ( -10.599 8.907 6.212) 15.174 12.854 ( 0.069 -4.268 1.273) 4.454 13.138 ( 4.562 6.215 -4.843) 9.105 13.230 ( -4.743 -2.885 -3.700) 6.671 13.310 ( 5.069 -9.172 1.573) 10.597 13.754 ( 4.480 -2.124 -7.123) 8.679 14.011 ( 14.187 6.013 10.203) 18.480 14.062 ( 9.968 -6.130 -4.764) 12.634 14.179 ( 2.871 6.510 3.810) 8.071 14.748 ( -3.195 0.835 0.786) 3.394 15.004 ( 4.953 -2.940 21.876) 22.621 15.132 ( -1.182 0.776 -20.914) 20.962 15.328 ( 0.648 -0.955 -9.061) 9.134 15.563 ( -10.252 8.361 -14.671) 19.755 15.756 ( 9.029 19.442 13.611) 25.392 16.004 ( -2.493 -2.625 -2.332) 4.307 17.046 ( 3.623 7.113 20.106) 21.633 17.519 ( -15.495 7.555 -20.246) 26.591 17.728 ( 13.062 -26.552 11.251) 31.657 18.060 ( 3.131 -20.022 9.850) 22.532 18.257 ( -0.149 -1.160 -12.489) 12.543 18.374 ( 2.018 -0.390 -0.068) 2.057 18.537 ( 2.471 -14.903 2.750) 15.354 18.915 ( -8.301 -9.762 -5.128) 13.802 19.028 ( 2.557 -8.593 -11.469) 14.557 21.173 ( -0.056 17.817 9.911) 20.388 21.316 ( -1.147 15.011 1.648) 15.145 21.731 ( -1.265 0.160 0.376) 1.330 21.925 ( -7.971 -2.981 -6.046) 10.439 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 6.701 17.887 12.255) 22.694 2.263 ( 16.142 8.420 13.026) 22.386 2.943 ( 1.026 -8.290 -1.750) 8.535 3.120 ( 1.643 -4.761 -5.208) 7.245 3.206 ( -4.246 -1.322 -3.475) 5.644 3.466 ( -2.955 -9.326 1.075) 9.842 3.598 ( -3.333 4.606 1.446) 5.867 3.884 ( -3.556 -1.070 -0.329) 3.729 4.038 ( 1.190 4.120 -7.108) 8.301 4.105 ( -2.094 2.691 1.141) 3.596 4.359 ( -7.939 -1.267 -10.360) 13.114 4.423 ( -5.016 -5.225 -0.677) 7.275 7.025 ( 11.685 10.203 10.824) 18.916 7.219 ( 6.176 23.885 3.769) 24.957 7.741 ( 7.543 -5.985 21.484) 23.544 8.017 ( 14.230 0.167 6.953) 15.839 8.062 ( 6.309 -2.117 -0.125) 6.656 8.490 ( 17.519 -7.923 13.036) 23.230 8.832 ( 17.994 -1.360 6.940) 19.334 8.962 ( -2.120 6.985 3.793) 8.226 9.472 ( -5.837 -6.940 -0.529) 9.084 9.536 ( -2.168 -5.124 -0.977) 5.649 10.282 ( 2.330 -6.603 -7.656) 10.375 10.535 ( -21.956 17.178 -8.694) 29.201 10.702 ( 7.868 -12.239 -0.592) 14.562 10.927 ( 0.327 7.514 -2.219) 7.841 11.222 ( -5.760 -5.469 5.996) 9.952 11.473 ( -7.922 -4.788 -0.786) 9.289 12.168 ( 2.768 5.496 -8.377) 10.395 12.413 ( -14.693 5.921 -6.211) 17.015 12.498 ( 0.330 -1.100 -5.982) 6.092 12.617 ( 4.397 -0.228 -3.833) 5.837 12.865 ( 1.309 2.309 0.583) 2.718 13.080 ( -1.461 1.601 -9.183) 9.436 13.265 ( 2.767 7.609 0.966) 8.154 13.491 ( 8.146 -4.522 7.255) 11.809 13.792 ( -0.737 -4.203 -3.614) 5.592 14.109 ( 2.302 9.226 -5.629) 11.050 14.202 ( 2.954 -4.042 -0.397) 5.022 14.482 ( 14.551 1.520 12.348) 19.145 14.720 ( 0.668 -2.265 -11.587) 11.825 15.018 ( -7.433 -1.329 -7.560) 10.685 15.091 ( 2.239 7.340 1.841) 7.891 15.247 ( -10.323 8.814 -9.705) 16.686 15.505 ( 10.323 -7.149 0.198) 12.558 16.030 ( 17.395 17.413 19.614) 31.473 16.079 ( 9.784 -6.706 5.111) 12.916 17.040 ( -11.080 13.809 -8.370) 19.584 17.297 ( 1.911 13.212 7.133) 15.135 17.964 ( 8.450 -35.184 4.833) 36.506 18.154 ( -1.682 -10.886 1.623) 11.134 18.228 ( 6.034 -12.025 9.392) 16.408 18.429 ( 0.250 -0.959 -1.144) 1.514 18.546 ( -1.999 -18.859 6.357) 20.002 18.668 ( -14.488 -5.875 -2.027) 15.765 19.025 ( -3.873 -8.299 -3.406) 9.771 21.192 ( 2.273 15.031 2.873) 15.471 21.293 ( -0.723 14.984 -3.377) 15.377 21.690 ( -2.978 1.036 -3.413) 4.647 21.737 ( -8.811 1.200 -8.812) 12.519 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 9.886 12.142 4.831) 16.386 2.576 ( 12.340 0.408 9.235) 15.419 2.943 ( -0.803 -4.837 -2.225) 5.384 3.123 ( -3.948 -2.324 -5.425) 7.101 3.209 ( 4.707 -3.631 -7.090) 9.253 3.292 ( -6.874 -10.131 -3.158) 12.644 3.555 ( -2.797 -2.729 3.498) 5.245 3.766 ( -7.077 -3.152 -0.697) 7.779 3.981 ( -4.603 3.428 -3.868) 6.921 4.124 ( -2.563 2.424 -1.426) 3.805 4.202 ( -3.130 1.229 -2.496) 4.188 4.332 ( -3.796 -5.747 2.239) 7.242 7.315 ( 13.542 14.302 7.711) 21.152 7.452 ( 17.683 18.134 7.696) 26.472 7.894 ( 4.686 1.338 18.011) 18.659 8.186 ( 5.176 -3.934 5.403) 8.453 8.299 ( 11.881 0.654 6.787) 13.699 8.802 ( 8.295 -1.852 11.857) 14.588 8.839 ( -2.177 -3.673 1.223) 4.441 9.178 ( -2.171 -1.816 1.893) 3.405 9.211 ( 0.798 -2.737 6.481) 7.081 9.784 ( 17.636 -2.754 -0.623) 17.861 10.044 ( -22.001 17.199 -13.884) 31.187 10.327 ( 2.445 -7.150 -3.214) 8.211 10.876 ( 8.493 -8.432 2.050) 12.142 10.948 ( 0.700 0.464 -2.804) 2.927 11.068 ( -9.300 -0.541 9.164) 13.068 11.287 ( -8.521 -6.191 -8.374) 13.456 12.010 ( -12.961 10.707 -6.962) 18.196 12.246 ( -6.066 8.806 -4.236) 11.501 12.495 ( -0.254 -8.252 -10.127) 13.066 12.691 ( 0.738 -5.520 -9.598) 11.097 12.998 ( 11.988 6.426 -1.439) 13.678 13.122 ( 4.247 7.158 -4.993) 9.706 13.332 ( 3.817 6.831 -3.862) 8.726 13.566 ( 1.097 -4.799 -1.536) 5.157 13.824 ( 4.574 -1.626 -0.743) 4.911 14.148 ( -2.004 1.034 -6.475) 6.856 14.184 ( -4.638 -2.181 1.099) 5.242 14.548 ( -1.702 -4.954 -5.109) 7.317 14.573 ( -14.716 8.064 -15.246) 22.672 14.990 ( -6.446 -6.458 0.939) 9.173 15.118 ( 14.885 5.246 14.036) 21.121 15.350 ( 13.211 22.966 -6.513) 27.284 15.683 ( 5.290 -11.523 2.546) 12.933 16.320 ( 5.600 -0.959 -3.937) 6.912 16.487 ( 25.918 12.729 22.864) 36.831 16.815 ( -0.424 12.956 -5.771) 14.189 17.458 ( 10.238 6.446 12.600) 17.468 18.032 ( -9.030 -11.191 -1.191) 14.430 18.095 ( 3.205 -30.716 4.150) 31.160 18.206 ( -17.477 -7.107 -1.184) 18.904 18.366 ( -6.678 -3.514 7.826) 10.872 18.449 ( 2.457 -14.956 15.762) 21.867 18.527 ( 0.594 -13.398 11.411) 17.609 18.863 ( -10.767 -9.607 4.803) 15.208 21.268 ( 4.363 11.894 -6.060) 14.043 21.300 ( 2.077 13.249 -7.966) 15.599 21.558 ( -7.058 5.401 -13.386) 16.068 21.629 ( -3.968 1.902 -6.288) 7.674 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 11.489 5.576 -1.036) 12.813 2.731 ( 0.964 -2.563 2.202) 3.514 2.906 ( -1.962 -3.411 -4.285) 5.818 2.960 ( -8.205 -4.025 -3.097) 9.649 3.264 ( 5.582 -5.414 -2.220) 8.087 3.349 ( 1.551 0.301 -5.715) 5.929 3.500 ( 0.372 -7.650 3.580) 8.454 3.612 ( -7.356 -3.711 0.334) 8.246 3.923 ( 0.018 4.325 -3.179) 5.368 3.990 ( -5.978 3.820 -4.181) 8.234 4.218 ( 1.540 -4.401 3.890) 6.072 4.262 ( -2.820 -6.539 4.291) 8.314 7.593 ( 13.381 15.997 8.776) 22.627 7.811 ( 0.240 10.750 12.248) 16.298 7.923 ( 11.515 9.636 8.404) 17.207 8.195 ( -6.646 2.622 11.265) 13.340 8.536 ( 10.919 -4.569 10.837) 16.048 8.712 ( -5.870 -4.721 5.940) 9.593 8.937 ( 1.267 -6.506 6.706) 9.429 9.004 ( -5.573 -6.916 6.060) 10.753 9.381 ( 8.614 8.329 -5.852) 13.335 9.614 ( -14.939 15.012 -15.039) 25.975 10.219 ( 17.473 -6.354 -6.797) 19.795 10.388 ( 1.426 -4.909 -2.262) 5.590 10.867 ( -7.018 -1.657 5.686) 9.183 10.888 ( -6.583 -5.466 -6.524) 10.759 11.049 ( 6.685 -5.244 3.909) 9.352 11.149 ( -4.162 1.657 -2.248) 5.012 11.868 ( 0.893 13.412 -2.037) 13.595 12.026 ( -12.071 12.293 1.926) 17.336 12.539 ( 4.400 -10.914 -11.123) 16.192 12.647 ( -4.708 -9.208 -10.127) 14.474 13.183 ( 3.666 7.660 -5.679) 10.216 13.214 ( 1.640 7.142 -4.362) 8.528 13.487 ( 14.421 3.436 -7.354) 16.548 13.698 ( 10.768 -2.258 -7.051) 13.068 13.827 ( -10.668 -2.509 -10.154) 14.940 13.972 ( -11.746 -7.648 -9.331) 16.838 14.092 ( 2.930 5.437 3.033) 6.882 14.277 ( -12.266 7.424 -9.664) 17.291 14.643 ( 8.865 -0.961 3.508) 9.582 14.836 ( -8.628 -4.416 4.235) 10.577 15.416 ( 12.124 3.495 13.183) 18.248 15.568 ( 0.645 5.710 2.936) 6.453 15.807 ( 12.329 9.989 -5.605) 16.828 16.138 ( -16.083 16.208 -14.306) 26.945 17.064 ( 27.532 5.511 18.786) 33.783 17.157 ( 23.982 -3.585 2.793) 24.409 17.592 ( -8.991 -3.518 9.252) 13.373 17.733 ( -23.410 -2.544 -0.987) 23.568 17.829 ( -0.165 -2.495 12.819) 13.060 18.019 ( -9.766 -19.635 5.977) 22.729 18.348 ( 5.272 -17.265 7.295) 19.471 18.468 ( -3.416 -6.925 9.986) 12.624 18.568 ( 2.608 -14.475 17.090) 22.548 18.649 ( -7.263 -16.448 11.581) 21.388 21.336 ( 3.357 11.824 -13.707) 18.411 21.395 ( 3.228 8.057 -10.509) 13.630 21.440 ( -2.196 7.960 -13.168) 15.543 21.532 ( -5.296 3.989 -8.741) 10.971 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.000 21.163 5.427) 21.848 2.524 ( 0.000 21.882 10.050) 24.080 2.613 ( 0.000 -15.480 -1.904) 15.596 2.919 ( 0.000 -16.855 5.773) 17.817 3.424 ( 0.000 4.091 -5.823) 7.117 3.443 ( 0.000 3.270 -1.108) 3.453 3.797 ( 0.000 5.018 -0.152) 5.021 3.921 ( 0.000 -5.307 0.419) 5.324 4.131 ( 0.000 8.826 -7.077) 11.313 4.247 ( 0.000 7.747 -3.559) 8.525 4.348 ( 0.000 -11.058 -11.624) 16.044 4.414 ( 0.000 -8.815 -3.499) 9.484 7.065 ( 0.000 9.012 14.398) 16.986 7.180 ( 0.000 -2.120 10.850) 11.055 7.626 ( 0.000 1.501 22.910) 22.959 7.711 ( 0.000 -7.223 18.430) 19.795 7.728 ( 0.000 7.538 -5.046) 9.071 7.872 ( 0.000 -7.414 2.082) 7.701 8.536 ( 0.000 20.120 0.913) 20.141 8.971 ( 0.000 -23.380 -2.257) 23.488 9.316 ( 0.000 17.004 1.709) 17.090 9.682 ( 0.000 -20.250 -1.300) 20.291 10.240 ( 0.000 1.616 -11.053) 11.171 10.264 ( 0.000 -0.858 -11.204) 11.236 11.150 ( 0.000 11.897 -7.366) 13.993 11.319 ( 0.000 -5.420 2.914) 6.153 11.347 ( 0.000 3.751 10.567) 11.213 11.400 ( 0.000 -1.894 -4.341) 4.736 12.259 ( 0.000 15.273 -9.926) 18.215 12.584 ( 0.000 -14.596 -3.667) 15.050 12.666 ( 0.000 1.074 7.839) 7.912 12.679 ( 0.000 -1.174 7.595) 7.685 13.045 ( 0.000 1.814 5.205) 5.512 13.049 ( 0.000 2.859 12.904) 13.217 13.233 ( 0.000 0.931 -4.960) 5.047 13.248 ( 0.000 -3.194 -10.241) 10.728 13.583 ( 0.000 1.576 -8.716) 8.858 13.711 ( 0.000 -8.406 -3.976) 9.298 14.041 ( 0.000 9.168 17.880) 20.093 14.194 ( 0.000 -4.861 12.988) 13.868 14.796 ( 0.000 1.174 2.001) 2.320 14.861 ( 0.000 -4.350 -1.103) 4.488 15.183 ( 0.000 4.716 -4.602) 6.589 15.280 ( 0.000 -4.494 -4.125) 6.100 15.842 ( 0.000 9.002 -13.281) 16.045 15.999 ( 0.000 -6.311 -9.588) 11.479 16.255 ( 0.000 35.056 6.812) 35.712 16.968 ( 0.000 -36.292 8.066) 37.177 17.146 ( 0.000 11.486 18.944) 22.154 17.425 ( 0.000 -16.334 13.055) 20.910 18.122 ( 0.000 3.939 -16.486) 16.950 18.154 ( 0.000 1.290 -15.475) 15.528 18.361 ( 0.000 0.172 5.497) 5.500 18.402 ( 0.000 -3.272 -5.712) 6.583 18.831 ( 0.000 -4.497 -13.970) 14.676 18.838 ( 0.000 -5.397 -7.475) 9.220 21.534 ( 0.000 17.122 6.025) 18.151 21.576 ( 0.000 10.275 2.661) 10.614 21.708 ( 0.000 -4.171 1.921) 4.593 21.836 ( 0.000 -12.857 0.281) 12.860 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 5.665 18.842 6.384) 20.685 2.526 ( 0.344 19.073 8.194) 20.762 2.656 ( 3.943 -12.970 -0.230) 13.558 2.912 ( -0.306 -15.874 4.451) 16.489 3.356 ( -5.618 4.179 -5.710) 9.035 3.425 ( -3.053 -2.127 -3.149) 4.874 3.766 ( -2.858 5.488 0.119) 6.189 3.891 ( -2.962 -5.989 1.144) 6.779 4.145 ( 1.417 9.894 -7.708) 12.622 4.235 ( -1.194 7.092 -2.870) 7.743 4.343 ( -0.798 -8.845 -10.881) 14.045 4.390 ( -2.307 -7.775 -2.973) 8.638 7.088 ( 3.677 11.001 15.162) 19.090 7.266 ( 7.735 -4.912 11.446) 14.662 7.665 ( 0.978 7.288 9.196) 11.775 7.791 ( 7.055 -0.909 5.192) 8.807 7.860 ( 10.899 -0.543 8.784) 14.008 7.971 ( 12.336 -7.295 11.268) 18.231 8.641 ( 9.796 16.365 4.208) 19.531 9.030 ( 5.879 -21.646 0.271) 22.432 9.277 ( -3.954 15.178 1.804) 15.788 9.586 ( -8.365 -15.688 -0.498) 17.785 10.240 ( 0.951 3.536 -10.073) 10.718 10.343 ( 5.444 -6.754 -8.011) 11.808 11.125 ( -4.027 7.393 -1.605) 8.570 11.191 ( -6.874 8.470 -7.262) 13.104 11.254 ( -8.340 1.055 9.036) 12.341 11.441 ( -0.513 -8.008 -4.607) 9.253 12.257 ( -0.521 10.983 -6.702) 12.877 12.478 ( -6.992 -9.122 -0.349) 11.499 12.601 ( -2.365 3.444 3.456) 5.422 12.685 ( -0.821 -6.149 0.211) 6.207 12.955 ( -5.570 8.009 -0.225) 9.758 13.096 ( -5.353 -6.773 -7.660) 11.542 13.233 ( 8.555 2.079 2.243) 9.085 13.274 ( 6.239 0.728 2.337) 6.702 13.744 ( 8.332 3.646 -4.274) 10.049 13.891 ( 10.717 -9.398 -2.219) 14.426 14.144 ( 9.076 6.833 14.095) 18.103 14.246 ( 5.880 -1.884 11.771) 13.292 14.758 ( -2.426 3.372 -5.559) 6.939 14.881 ( 2.122 -7.860 0.789) 8.180 15.214 ( 2.053 5.190 -2.769) 6.230 15.293 ( 0.426 -2.734 -5.052) 5.760 15.715 ( -9.833 8.046 -8.982) 15.560 15.881 ( -7.130 -8.570 -2.832) 11.503 16.317 ( 6.088 35.068 8.153) 36.515 17.031 ( 4.586 -35.105 6.575) 36.009 17.280 ( 11.437 10.807 17.192) 23.306 17.536 ( 7.878 -10.653 7.566) 15.257 17.896 ( -11.830 5.480 -7.941) 15.265 18.100 ( -8.797 -12.595 -13.849) 20.683 18.377 ( -0.849 3.189 4.276) 5.402 18.443 ( 2.752 -2.022 -3.718) 5.048 18.797 ( -3.497 -0.823 -6.657) 7.564 18.872 ( 2.075 -7.012 -10.791) 13.035 21.508 ( -2.147 15.783 3.852) 16.387 21.560 ( -1.299 9.678 0.929) 9.809 21.700 ( -0.794 -3.656 0.615) 3.792 21.786 ( -4.298 -10.787 -1.453) 11.703 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 6.480 12.630 8.888) 16.748 2.555 ( 2.989 12.518 2.874) 13.187 2.760 ( 5.717 -6.600 3.980) 9.596 2.942 ( 4.195 -13.323 0.830) 13.993 3.211 ( -7.546 2.408 -6.647) 10.340 3.300 ( -8.608 -6.736 -5.261) 12.131 3.685 ( -4.793 5.030 0.751) 6.988 3.799 ( -5.645 -6.281 0.687) 8.473 4.161 ( -1.674 7.216 -7.097) 10.258 4.204 ( -1.002 5.702 -1.697) 6.033 4.301 ( -3.338 -5.078 -8.086) 10.114 4.319 ( -4.436 -4.878 -1.914) 6.865 7.255 ( 12.358 13.084 13.915) 22.749 7.493 ( 13.788 -7.849 13.630) 20.916 7.692 ( 2.769 12.684 6.191) 14.383 7.918 ( 5.549 -8.409 -0.029) 10.075 8.160 ( 15.937 8.300 10.601) 20.863 8.331 ( 18.619 -8.700 13.834) 24.774 8.923 ( 16.125 11.547 6.667) 20.924 9.138 ( -8.003 10.280 3.007) 13.370 9.232 ( 12.215 -16.382 3.843) 20.792 9.362 ( -12.222 -11.200 2.043) 16.703 10.272 ( 1.980 5.376 -6.722) 8.832 10.445 ( 3.100 -11.436 -3.889) 12.471 10.904 ( -14.252 15.404 -5.398) 21.669 11.059 ( -7.994 2.698 1.529) 8.574 11.142 ( -1.081 0.654 -5.209) 5.360 11.320 ( -9.896 -10.637 -4.509) 15.212 12.262 ( 0.433 4.710 -7.819) 9.139 12.366 ( -4.952 -5.736 -8.211) 11.173 12.556 ( -4.572 3.669 -6.847) 9.014 12.609 ( -1.410 -1.362 -6.588) 6.874 12.972 ( 6.220 6.865 1.958) 9.468 13.075 ( 3.968 -2.654 0.794) 4.840 13.357 ( 3.466 2.397 -0.407) 4.234 13.422 ( 4.842 -2.883 0.057) 5.635 13.817 ( -0.139 7.715 0.193) 7.719 14.031 ( 2.533 -11.906 5.309) 13.280 14.286 ( 3.400 7.985 -0.567) 8.697 14.427 ( 5.610 -6.390 3.099) 9.050 14.785 ( 6.685 8.667 -4.630) 11.884 14.949 ( 3.802 -6.037 -2.387) 7.524 15.180 ( -8.055 3.017 -8.381) 12.009 15.259 ( -1.030 -6.123 -5.842) 8.525 15.623 ( 5.377 15.003 2.714) 16.167 15.890 ( 9.331 -12.034 7.665) 17.048 16.504 ( 11.834 30.706 12.003) 35.028 17.143 ( 6.193 -27.370 7.003) 28.923 17.428 ( -9.159 9.840 -9.684) 16.568 17.606 ( 9.800 12.185 10.398) 18.779 17.809 ( -5.387 -18.828 -0.363) 19.587 17.947 ( 2.805 -16.794 5.469) 17.884 18.335 ( -3.177 0.465 7.197) 7.881 18.407 ( -6.560 -5.730 0.952) 8.762 18.695 ( -6.508 6.871 -2.275) 9.734 18.855 ( -4.482 -8.896 -2.986) 10.399 21.467 ( -1.249 12.292 -1.873) 12.496 21.529 ( -1.476 8.420 -3.473) 9.227 21.673 ( -2.005 -3.049 -3.303) 4.922 21.686 ( -4.473 -5.657 -5.306) 8.953 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 5.309 8.085 6.032) 11.399 2.637 ( 4.023 1.957 0.587) 4.512 2.880 ( 3.332 1.684 4.352) 5.734 3.055 ( -0.944 -12.422 2.654) 12.737 3.092 ( -2.580 -0.278 -8.072) 8.479 3.131 ( 1.654 -3.722 -6.588) 7.746 3.569 ( -6.319 3.420 1.131) 7.273 3.666 ( -6.938 -5.971 0.311) 9.159 4.084 ( -4.296 6.179 -3.073) 8.129 4.165 ( -3.681 0.779 -4.335) 5.740 4.206 ( -5.216 -0.770 -2.780) 5.960 4.223 ( -4.125 -4.586 -1.079) 6.262 7.575 ( 17.017 13.242 12.464) 24.906 7.802 ( 8.606 5.774 13.703) 17.180 7.816 ( 15.240 0.218 12.336) 19.608 8.038 ( 5.833 -8.887 3.729) 11.266 8.438 ( 9.469 10.391 9.592) 17.019 8.650 ( 10.191 -10.488 11.721) 18.741 8.906 ( -11.413 7.396 0.960) 13.634 9.071 ( -13.818 -8.367 3.521) 16.533 9.297 ( 17.153 11.309 2.989) 20.762 9.584 ( 18.947 -15.707 1.019) 24.631 10.320 ( 0.116 4.835 -3.993) 6.272 10.330 ( -13.719 7.549 -13.055) 20.387 10.752 ( 2.897 -0.352 1.609) 3.333 10.877 ( -9.158 -8.267 -3.382) 12.792 11.091 ( -5.462 2.915 0.346) 6.201 11.171 ( -2.041 -5.112 -7.764) 9.517 12.176 ( -6.763 6.998 -9.307) 13.466 12.300 ( -0.768 -5.375 -11.255) 12.496 12.464 ( -6.146 6.516 -3.823) 9.739 12.588 ( -2.671 -5.535 -7.708) 9.858 13.156 ( 10.590 8.150 -0.255) 13.365 13.224 ( 9.418 2.276 0.118) 9.690 13.412 ( 1.680 0.656 -3.751) 4.162 13.457 ( 1.508 -4.915 -3.238) 6.076 13.818 ( 0.933 5.420 -0.207) 5.503 14.018 ( -2.829 -12.407 7.302) 14.672 14.251 ( -7.773 6.777 -6.463) 12.170 14.395 ( -7.059 -7.982 -7.073) 12.789 14.876 ( 0.617 18.576 -6.688) 19.753 15.014 ( -2.858 8.011 -3.650) 9.256 15.118 ( 10.460 -5.180 6.988) 13.604 15.306 ( 3.620 -19.385 -2.585) 19.889 15.881 ( 17.032 22.840 -0.997) 28.509 16.219 ( 19.742 -10.958 4.366) 22.997 16.808 ( 16.702 21.006 15.685) 31.084 17.127 ( -14.288 18.164 -11.809) 25.952 17.309 ( 8.320 -24.131 9.807) 27.344 17.593 ( -10.813 -24.760 -7.039) 27.920 17.866 ( 12.467 7.919 13.782) 20.201 18.086 ( 1.139 -8.350 12.019) 14.679 18.213 ( -7.229 -7.304 10.905) 14.985 18.223 ( -8.580 -5.574 10.351) 14.554 18.526 ( -8.501 6.632 5.205) 11.972 18.683 ( -11.471 -8.964 4.853) 15.346 21.467 ( 1.278 8.064 -7.853) 11.328 21.508 ( -0.360 6.586 -8.661) 10.887 21.599 ( -3.274 -0.459 -10.095) 10.622 21.633 ( -2.353 -1.835 -6.948) 7.562 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 6.543 4.146 1.517) 7.893 2.717 ( 3.440 0.393 -0.979) 3.598 2.836 ( -4.097 -2.082 -0.702) 4.649 2.880 ( -8.438 -4.888 -3.878) 10.494 3.221 ( 9.691 2.044 0.011) 9.904 3.313 ( 9.589 -5.503 -1.519) 11.160 3.419 ( -7.887 1.870 1.796) 8.302 3.510 ( -8.186 -5.986 0.535) 10.156 4.024 ( -0.712 5.636 -1.968) 6.012 4.065 ( -4.351 3.869 -3.264) 6.675 4.133 ( -1.537 -4.909 -0.178) 5.147 4.147 ( -2.684 -4.788 -0.509) 5.512 7.891 ( 11.669 13.934 12.338) 21.967 7.994 ( 5.592 6.383 17.286) 19.256 8.062 ( 7.186 3.219 14.526) 16.522 8.144 ( 2.840 -7.911 14.358) 16.637 8.560 ( 4.220 7.261 6.958) 10.906 8.678 ( -6.741 1.591 2.926) 7.519 8.763 ( -0.399 -9.614 6.813) 11.790 8.826 ( -8.264 -9.805 2.570) 13.078 9.632 ( 15.080 16.732 -8.668) 24.135 9.931 ( -2.795 6.772 -13.154) 15.056 10.001 ( 2.890 -5.229 -11.823) 13.247 10.266 ( -9.560 -11.432 -11.702) 18.948 10.795 ( 4.688 2.221 2.771) 5.881 10.914 ( 8.706 -6.741 2.904) 11.388 10.959 ( -6.983 5.733 2.126) 9.282 11.099 ( -6.433 -6.234 -0.721) 8.987 12.119 ( 2.598 12.131 -5.675) 13.642 12.267 ( -9.337 11.292 -2.867) 14.930 12.338 ( 3.360 -9.938 -8.329) 13.395 12.471 ( -7.613 -9.314 -6.817) 13.827 13.341 ( 5.362 8.751 -5.804) 11.791 13.375 ( 1.529 9.113 -2.549) 9.586 13.501 ( 9.404 -5.250 -6.136) 12.396 13.554 ( 5.275 -9.007 -8.093) 13.208 13.830 ( -0.048 4.598 -2.151) 5.076 13.950 ( -6.835 2.502 -1.122) 7.364 14.047 ( -2.956 -5.008 -1.426) 5.988 14.190 ( -10.880 -11.076 -2.782) 15.773 14.917 ( 3.481 22.569 -2.824) 23.010 14.982 ( -2.026 16.399 -0.302) 16.527 15.301 ( 5.854 -13.385 6.739) 16.089 15.356 ( 0.368 -20.072 1.907) 20.166 16.263 ( 18.139 28.577 -8.564) 34.915 16.526 ( 0.400 17.475 -8.901) 19.615 16.918 ( 2.223 -15.912 -5.576) 17.007 17.076 ( -0.114 -12.639 1.500) 12.728 17.452 ( 9.088 -1.764 11.526) 14.784 17.573 ( 12.492 -11.428 12.935) 21.307 17.814 ( -18.234 5.725 14.317) 23.880 17.913 ( -16.765 -1.534 13.654) 21.676 18.138 ( 11.795 -0.422 11.880) 16.747 18.285 ( 4.996 -11.619 14.081) 18.927 18.386 ( -5.975 -3.445 10.213) 12.324 18.418 ( -12.025 -6.924 10.628) 17.478 21.506 ( 1.765 5.078 -11.816) 12.982 21.520 ( 1.745 4.196 -10.986) 11.889 21.545 ( -1.824 2.787 -12.440) 12.878 21.578 ( -2.800 0.246 -10.044) 10.430 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 0.000 0.000 29.466) 29.466 2.215 ( 0.000 0.000 29.313) 29.313 2.875 ( 0.000 0.000 -10.782) 10.782 3.027 ( 0.000 0.000 8.771) 8.771 3.152 ( 0.000 0.000 2.199) 2.199 3.481 ( 0.000 0.000 7.632) 7.632 3.798 ( 0.000 0.000 0.420) 0.420 3.883 ( 0.000 0.000 -6.017) 6.017 4.052 ( 0.000 0.000 -5.755) 5.755 4.063 ( 0.000 0.000 1.650) 1.650 4.320 ( 0.000 0.000 -17.651) 17.651 4.669 ( 0.000 0.000 -3.946) 3.946 6.584 ( 0.000 0.000 13.151) 13.151 7.332 ( 0.000 0.000 10.206) 10.206 7.666 ( 0.000 0.000 -3.947) 3.947 7.681 ( 0.000 0.000 -0.784) 0.784 8.257 ( 0.000 0.000 12.098) 12.098 8.318 ( 0.000 0.000 14.840) 14.840 8.806 ( 0.000 0.000 37.466) 37.466 8.869 ( 0.000 0.000 4.141) 4.141 9.527 ( 0.000 0.000 -19.132) 19.132 9.651 ( 0.000 0.000 -9.036) 9.036 9.900 ( 0.000 0.000 -12.301) 12.301 10.415 ( 0.000 0.000 -12.760) 12.760 10.961 ( 0.000 0.000 -14.825) 14.825 10.976 ( 0.000 0.000 14.246) 14.246 11.204 ( 0.000 0.000 -19.541) 19.541 11.572 ( 0.000 0.000 3.876) 3.876 11.806 ( 0.000 0.000 -4.534) 4.534 12.653 ( 0.000 0.000 13.675) 13.675 12.657 ( 0.000 0.000 -10.949) 10.949 12.783 ( 0.000 0.000 9.087) 9.087 13.010 ( 0.000 0.000 19.263) 19.263 13.180 ( 0.000 0.000 -0.598) 0.598 13.285 ( 0.000 0.000 -4.477) 4.477 13.490 ( 0.000 0.000 -18.142) 18.142 13.725 ( 0.000 0.000 17.742) 17.742 13.769 ( 0.000 0.000 12.051) 12.051 13.832 ( 0.000 0.000 -9.024) 9.024 14.087 ( 0.000 0.000 -0.234) 0.234 14.671 ( 0.000 0.000 -23.707) 23.707 14.773 ( 0.000 0.000 15.311) 15.311 15.107 ( 0.000 0.000 -15.875) 15.875 15.346 ( 0.000 0.000 -9.469) 9.469 15.377 ( 0.000 0.000 28.842) 28.842 15.590 ( 0.000 0.000 -13.260) 13.260 15.946 ( 0.000 0.000 27.689) 27.689 16.972 ( 0.000 0.000 -34.415) 34.415 17.479 ( 0.000 0.000 22.082) 22.082 17.653 ( 0.000 0.000 -20.962) 20.962 18.193 ( 0.000 0.000 -11.574) 11.574 18.342 ( 0.000 0.000 8.119) 8.119 18.794 ( 0.000 0.000 0.372) 0.372 18.906 ( 0.000 0.000 4.554) 4.554 19.060 ( 0.000 0.000 -16.526) 16.526 19.287 ( 0.000 0.000 -4.235) 4.235 21.014 ( 0.000 0.000 8.446) 8.446 21.117 ( 0.000 0.000 19.474) 19.474 21.744 ( 0.000 0.000 0.487) 0.487 21.825 ( 0.000 0.000 -9.200) 9.200 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.621 0.000 25.614) 25.622 2.329 ( 10.318 0.000 25.943) 27.920 2.886 ( 1.265 0.000 -11.942) 12.009 3.178 ( 2.404 0.000 2.384) 3.386 3.190 ( 9.574 0.000 0.252) 9.577 3.469 ( 2.367 0.000 15.931) 16.106 3.720 ( -7.249 0.000 -0.232) 7.252 3.844 ( -2.270 0.000 -10.874) 11.109 4.001 ( -4.638 0.000 -5.761) 7.396 4.109 ( 3.569 0.000 5.681) 6.709 4.255 ( -6.038 0.000 -16.643) 17.704 4.639 ( -2.561 0.000 -2.509) 3.585 6.642 ( 5.313 0.000 13.094) 14.131 7.156 ( -9.572 0.000 17.068) 19.568 7.750 ( 6.998 0.000 -4.918) 8.553 7.763 ( 6.798 0.000 -0.974) 6.868 8.412 ( 8.195 0.000 17.879) 19.667 8.502 ( 16.292 0.000 4.009) 16.778 8.870 ( 0.188 0.000 3.828) 3.833 8.912 ( 10.631 0.000 31.639) 33.378 9.490 ( -3.325 0.000 -14.705) 15.076 9.537 ( -5.742 0.000 -5.980) 8.290 10.130 ( 16.380 0.000 -12.338) 20.507 10.305 ( -10.602 0.000 -12.273) 16.218 10.780 ( -7.981 0.000 0.692) 8.011 11.116 ( 4.447 0.000 -4.401) 6.257 11.259 ( 5.431 0.000 -12.770) 13.877 11.614 ( 2.471 0.000 4.605) 5.227 11.794 ( -0.794 0.000 -7.623) 7.664 12.438 ( -15.827 0.000 -4.729) 16.518 12.597 ( -12.455 0.000 8.184) 14.903 12.723 ( 0.661 0.000 -0.932) 1.142 12.880 ( -10.437 0.000 14.875) 18.171 13.063 ( -7.507 0.000 1.364) 7.630 13.276 ( -1.351 0.000 0.512) 1.445 13.390 ( -4.785 0.000 -8.894) 10.100 13.897 ( 3.857 0.000 -15.224) 15.705 13.933 ( 6.018 0.000 -0.847) 6.078 13.952 ( 17.205 0.000 18.445) 25.223 14.148 ( 10.398 0.000 4.237) 11.228 14.629 ( -3.257 0.000 -21.255) 21.503 14.636 ( -10.023 0.000 16.047) 18.920 15.044 ( -9.165 0.000 -15.117) 17.678 15.413 ( 7.772 0.000 -7.354) 10.699 15.634 ( 7.702 0.000 -13.195) 15.279 15.640 ( 19.750 0.000 27.861) 34.151 16.004 ( 5.536 0.000 29.324) 29.842 16.706 ( -19.918 0.000 -30.834) 36.708 17.435 ( -2.515 0.000 23.209) 23.344 17.862 ( 14.133 0.000 -21.278) 25.545 18.205 ( 1.163 0.000 -13.233) 13.284 18.507 ( 14.735 0.000 13.835) 20.212 18.927 ( 4.152 0.000 -6.040) 7.330 18.928 ( 2.071 0.000 4.512) 4.964 18.991 ( -1.069 0.000 -12.288) 12.334 19.292 ( 0.443 0.000 -3.824) 3.850 20.940 ( -6.787 0.000 6.082) 9.114 21.085 ( -2.844 0.000 17.500) 17.729 21.672 ( -13.591 0.000 -8.794) 16.188 21.704 ( -3.752 0.000 -0.578) 3.797 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 3.387 0.000 16.152) 16.504 2.606 ( 15.037 0.000 18.623) 23.935 2.923 ( 1.803 0.000 -13.307) 13.428 3.170 ( -7.036 0.000 -2.159) 7.359 3.243 ( 3.508 0.000 2.913) 4.560 3.494 ( -9.160 0.000 1.924) 9.360 3.739 ( 9.609 0.000 4.646) 10.674 3.800 ( -1.228 0.000 -12.074) 12.136 3.874 ( -6.960 0.000 -5.770) 9.040 4.081 ( -10.085 0.000 -14.141) 17.368 4.203 ( 7.047 0.000 13.125) 14.897 4.595 ( -0.656 0.000 1.530) 1.665 6.793 ( 8.956 0.000 12.203) 15.137 7.084 ( 3.441 0.000 17.321) 17.660 7.891 ( 3.412 0.000 -2.163) 4.040 7.933 ( 9.802 0.000 -3.488) 10.404 8.619 ( 11.010 0.000 23.095) 25.585 8.774 ( 9.076 0.000 -5.805) 10.773 8.888 ( 2.104 0.000 3.155) 3.793 9.252 ( 20.791 0.000 18.067) 27.544 9.412 ( -2.980 0.000 -1.095) 3.175 9.451 ( -3.915 0.000 -1.120) 4.072 9.997 ( -16.807 0.000 -2.084) 16.935 10.488 ( 16.241 0.000 -10.890) 19.554 10.669 ( -2.254 0.000 -1.819) 2.896 11.143 ( -1.854 0.000 -8.881) 9.073 11.383 ( 4.286 0.000 1.366) 4.498 11.609 ( -5.034 0.000 8.947) 10.266 11.776 ( 0.741 0.000 -14.894) 14.913 11.973 ( -27.210 0.000 -16.526) 31.836 12.454 ( 0.824 0.000 -0.408) 0.919 12.686 ( -6.064 0.000 5.828) 8.411 12.732 ( 1.455 0.000 1.262) 1.926 12.965 ( -2.304 0.000 2.912) 3.713 13.210 ( -5.043 0.000 4.410) 6.699 13.346 ( -0.069 0.000 -2.990) 2.991 13.909 ( -4.008 0.000 -12.933) 13.540 13.937 ( -0.360 0.000 -16.155) 16.159 14.270 ( 5.034 0.000 9.080) 10.382 14.356 ( -1.558 0.000 -13.694) 13.783 14.532 ( 8.525 0.000 20.329) 22.044 14.595 ( -7.762 0.000 -17.285) 18.948 14.825 ( 4.583 0.000 6.344) 7.827 15.577 ( 5.949 0.000 -4.155) 7.257 15.939 ( 18.775 0.000 -11.076) 21.799 16.137 ( 26.893 0.000 28.479) 39.170 16.150 ( 8.011 0.000 30.260) 31.303 16.269 ( -20.273 0.000 -25.493) 32.571 17.441 ( 4.414 0.000 22.397) 22.828 18.099 ( 6.905 0.000 -15.424) 16.900 18.280 ( 5.439 0.000 -9.522) 10.966 18.665 ( -10.289 0.000 -6.728) 12.293 18.914 ( 13.064 0.000 13.174) 18.554 18.991 ( 3.955 0.000 4.355) 5.883 19.135 ( 3.977 0.000 -2.610) 4.757 19.303 ( 0.498 0.000 -2.503) 2.552 20.755 ( -10.027 0.000 -1.391) 10.123 21.019 ( -2.814 0.000 11.224) 11.571 21.323 ( -18.153 0.000 -11.055) 21.254 21.593 ( -6.781 0.000 -3.423) 7.596 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 8.120 0.000 4.788) 9.427 2.879 ( -8.399 0.000 -11.864) 14.536 2.913 ( 13.580 0.000 11.485) 17.786 3.072 ( 0.126 0.000 -5.921) 5.923 3.305 ( 1.807 0.000 3.730) 4.145 3.310 ( -7.612 0.000 -2.036) 7.880 3.699 ( -4.052 0.000 -3.346) 5.254 3.735 ( -5.725 0.000 -5.962) 8.265 3.826 ( -2.925 0.000 -4.344) 5.237 3.866 ( -9.653 0.000 -11.158) 14.754 4.434 ( 11.984 0.000 15.153) 19.319 4.618 ( 2.207 0.000 5.758) 6.167 7.014 ( 12.172 0.000 9.430) 15.398 7.294 ( 16.071 0.000 10.828) 19.379 7.850 ( -7.490 0.000 -3.330) 8.197 8.120 ( 6.760 0.000 -1.014) 6.836 8.840 ( -1.134 0.000 -11.540) 11.595 8.864 ( 12.345 0.000 24.212) 27.178 8.993 ( 2.225 0.000 -11.468) 11.682 9.290 ( -7.807 0.000 6.818) 10.365 9.357 ( -1.590 0.000 12.963) 13.060 9.739 ( 23.183 0.000 7.949) 24.508 9.743 ( -5.983 0.000 18.722) 19.654 10.693 ( 4.469 0.000 -5.991) 7.475 10.754 ( 8.761 0.000 -2.750) 9.183 11.032 ( -9.986 0.000 -11.912) 15.544 11.373 ( -11.557 0.000 13.291) 17.613 11.402 ( -24.406 0.000 -17.482) 30.021 11.462 ( 2.231 0.000 6.050) 6.448 11.844 ( 2.210 0.000 -15.928) 16.081 12.550 ( 4.698 0.000 -10.378) 11.392 12.668 ( 3.594 0.000 -4.123) 5.469 12.792 ( 3.817 0.000 1.549) 4.119 12.938 ( -0.639 0.000 0.594) 0.873 13.115 ( -1.004 0.000 1.303) 1.645 13.362 ( 1.526 0.000 -1.189) 1.934 13.830 ( -9.732 0.000 -5.646) 11.252 13.845 ( -1.474 0.000 -15.318) 15.389 14.122 ( -18.582 0.000 -16.295) 24.715 14.297 ( -11.907 0.000 -18.790) 22.245 14.335 ( 7.898 0.000 -5.913) 9.867 14.851 ( 13.449 0.000 14.407) 19.709 15.209 ( 21.677 0.000 17.791) 28.043 15.599 ( -4.014 0.000 -4.421) 5.971 15.925 ( -10.879 0.000 -9.446) 14.407 16.126 ( -2.277 0.000 16.212) 16.371 16.506 ( 25.647 0.000 3.339) 25.864 16.736 ( 29.545 0.000 24.534) 38.403 17.647 ( 14.012 0.000 17.857) 22.698 18.107 ( -6.553 0.000 -4.065) 7.711 18.204 ( -15.454 0.000 -13.716) 20.663 18.598 ( 9.668 0.000 4.898) 10.838 19.067 ( -10.515 0.000 6.921) 12.589 19.087 ( 4.947 0.000 4.057) 6.398 19.156 ( 6.337 0.000 19.468) 20.473 19.303 ( -0.777 0.000 -0.091) 0.783 20.576 ( -5.618 0.000 -13.410) 14.539 20.969 ( -14.949 0.000 -17.163) 22.760 20.998 ( 1.345 0.000 1.521) 2.030 21.430 ( -8.607 0.000 -6.886) 11.023 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 12.798 0.000 -4.694) 13.632 2.633 ( -13.745 0.000 -9.821) 16.893 3.112 ( 2.625 0.000 -7.411) 7.862 3.152 ( 9.088 0.000 6.500) 11.173 3.183 ( -4.529 0.000 -4.595) 6.452 3.289 ( -3.817 0.000 4.508) 5.906 3.663 ( 1.113 0.000 -0.795) 1.368 3.664 ( -0.636 0.000 -6.584) 6.614 3.710 ( -4.928 0.000 -8.153) 9.527 3.732 ( -4.773 0.000 -2.190) 5.252 4.612 ( 4.845 0.000 12.181) 13.109 4.653 ( 0.443 0.000 9.264) 9.275 7.298 ( 14.800 0.000 4.696) 15.527 7.610 ( -14.300 0.000 -0.572) 14.312 7.714 ( 22.569 0.000 3.516) 22.841 8.112 ( -10.909 0.000 1.278) 10.983 8.787 ( -3.026 0.000 -15.278) 15.575 8.815 ( -7.464 0.000 -19.378) 20.766 9.117 ( 11.110 0.000 24.466) 26.870 9.294 ( -5.428 0.000 22.293) 22.944 9.412 ( 12.145 0.000 20.560) 23.879 9.630 ( -7.502 0.000 21.421) 22.697 10.198 ( 21.102 0.000 -4.790) 21.639 10.648 ( -21.340 0.000 -14.783) 25.960 10.860 ( 8.273 0.000 -7.641) 11.262 10.904 ( 7.625 0.000 7.621) 10.780 11.062 ( -10.613 0.000 -10.326) 14.807 11.109 ( -11.841 0.000 12.567) 17.267 11.600 ( 9.167 0.000 1.139) 9.238 11.788 ( -7.273 0.000 -6.551) 9.788 12.631 ( 3.556 0.000 -14.858) 15.277 12.692 ( -1.828 0.000 -12.048) 12.186 12.871 ( 3.331 0.000 -0.512) 3.370 12.921 ( -1.416 0.000 -0.831) 1.642 13.282 ( 15.617 0.000 -7.912) 17.507 13.429 ( 5.613 0.000 -0.039) 5.613 13.603 ( -10.554 0.000 -0.085) 10.555 13.665 ( -19.261 0.000 -15.043) 24.439 13.919 ( 4.217 0.000 -12.326) 13.028 14.076 ( -9.609 0.000 -15.504) 18.240 14.593 ( 15.294 0.000 -12.684) 19.869 14.892 ( -10.112 0.000 -7.482) 12.579 15.590 ( 6.259 0.000 6.288) 8.872 15.633 ( 18.429 0.000 19.864) 27.096 15.758 ( -7.738 0.000 6.319) 9.990 15.961 ( -12.493 0.000 20.595) 24.088 17.074 ( 27.534 0.000 -3.871) 27.805 17.337 ( 27.198 0.000 18.083) 32.661 17.612 ( -21.936 0.000 -5.363) 22.582 17.832 ( -19.238 0.000 8.292) 20.949 18.209 ( 20.807 0.000 11.002) 23.536 18.683 ( -19.656 0.000 8.053) 21.241 18.900 ( 11.685 0.000 16.299) 20.055 19.137 ( -7.789 0.000 20.102) 21.559 19.187 ( 4.420 0.000 3.577) 5.686 19.265 ( -2.902 0.000 2.324) 3.717 20.560 ( 3.923 0.000 -21.682) 22.034 20.710 ( -9.920 0.000 -21.789) 23.941 21.081 ( 6.392 0.000 -6.484) 9.105 21.245 ( -8.776 0.000 -8.842) 12.458 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 0.000 12.414 26.292) 29.076 2.174 ( 0.000 -1.966 27.304) 27.375 2.837 ( 0.000 -3.611 -9.525) 10.187 3.151 ( 0.000 9.587 2.872) 10.008 3.197 ( 0.000 4.120 1.424) 4.359 3.477 ( 0.000 -0.517 10.531) 10.544 3.763 ( 0.000 -3.107 -0.692) 3.183 3.796 ( 0.000 -7.348 -10.738) 13.011 3.982 ( 0.000 -0.562 1.665) 1.757 4.156 ( 0.000 2.461 -3.454) 4.241 4.293 ( 0.000 -2.752 -17.085) 17.305 4.616 ( 0.000 -5.107 -4.466) 6.784 6.714 ( 0.000 12.242 10.290) 15.992 7.333 ( 0.000 0.112 8.760) 8.760 7.653 ( 0.000 -1.164 -0.156) 1.174 7.700 ( 0.000 1.727 -0.107) 1.731 8.218 ( 0.000 -1.001 13.864) 13.901 8.306 ( 0.000 -1.916 14.719) 14.843 8.721 ( 0.000 -6.814 30.178) 30.938 8.959 ( 0.000 7.186 10.966) 13.111 9.426 ( 0.000 -8.170 -13.012) 15.364 9.778 ( 0.000 10.382 -13.448) 16.989 9.932 ( 0.000 2.943 -11.751) 12.114 10.267 ( 0.000 -12.761 -10.105) 16.277 10.966 ( 0.000 -1.103 9.887) 9.949 11.044 ( 0.000 5.871 -15.595) 16.664 11.276 ( 0.000 7.315 -11.892) 13.962 11.568 ( 0.000 -0.189 5.244) 5.247 11.747 ( 0.000 -4.345 -6.133) 7.516 12.652 ( 0.000 -0.842 -11.183) 11.214 12.752 ( 0.000 4.555 8.477) 9.623 12.850 ( 0.000 10.636 13.751) 17.384 12.992 ( 0.000 -4.599 5.073) 6.847 13.079 ( 0.000 -3.602 7.484) 8.306 13.336 ( 0.000 -0.033 -5.294) 5.294 13.526 ( 0.000 -11.341 11.221) 15.954 13.596 ( 0.000 9.144 -12.276) 15.307 13.695 ( 0.000 -9.944 -8.701) 13.213 13.993 ( 0.000 10.981 15.318) 18.847 14.035 ( 0.000 -1.841 -0.912) 2.055 14.641 ( 0.000 -2.836 -22.808) 22.983 14.945 ( 0.000 14.180 11.906) 18.516 15.168 ( 0.000 5.043 -15.394) 16.199 15.242 ( 0.000 -7.213 -6.843) 9.943 15.417 ( 0.000 4.494 28.026) 28.384 15.647 ( 0.000 3.426 -6.959) 7.757 15.985 ( 0.000 4.183 20.566) 20.987 17.052 ( 0.000 7.906 -32.729) 33.671 17.456 ( 0.000 -2.026 21.943) 22.036 17.684 ( 0.000 2.885 -20.640) 20.840 18.154 ( 0.000 -5.817 -0.822) 5.875 18.251 ( 0.000 -8.220 -3.688) 9.010 18.675 ( 0.000 -19.927 4.210) 20.367 18.757 ( 0.000 -3.611 1.232) 3.816 19.010 ( 0.000 -5.557 -12.170) 13.379 19.080 ( 0.000 -18.809 -3.850) 19.199 21.151 ( 0.000 12.280 7.161) 14.216 21.205 ( 0.000 8.488 16.939) 18.946 21.752 ( 0.000 0.976 0.278) 1.015 21.876 ( 0.000 3.615 -8.697) 9.418 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.225 10.954 22.137) 24.700 2.305 ( 10.899 -0.691 25.039) 27.316 2.855 ( 1.795 -3.033 -10.404) 10.985 3.145 ( -1.433 -0.434 -0.872) 1.733 3.300 ( 5.295 5.617 0.401) 7.730 3.495 ( 4.855 2.336 14.978) 15.918 3.693 ( -5.859 -2.327 -1.014) 6.386 3.767 ( -1.858 -5.663 -12.585) 13.925 3.977 ( -2.104 -0.983 -1.427) 2.726 4.143 ( -0.121 1.131 0.591) 1.282 4.244 ( -4.540 -1.238 -15.700) 16.390 4.585 ( -2.695 -5.187 -3.127) 6.630 6.779 ( 5.929 12.900 10.567) 17.699 7.192 ( -7.569 3.730 16.164) 18.234 7.757 ( 8.019 0.586 -2.673) 8.473 7.783 ( 7.082 1.844 -0.823) 7.364 8.349 ( 6.292 -5.042 18.209) 19.914 8.453 ( 15.186 -4.472 8.109) 17.787 8.819 ( 7.352 -4.250 16.438) 18.502 8.973 ( 3.127 5.563 17.172) 18.320 9.439 ( 1.635 -4.545 -8.762) 10.005 9.631 ( -8.652 7.659 -8.891) 14.579 10.106 ( 10.988 -3.347 -12.356) 16.870 10.290 ( -0.525 0.097 -9.734) 9.749 10.820 ( -11.096 2.962 -6.709) 13.300 10.962 ( -2.370 -7.838 0.357) 8.196 11.415 ( 8.450 7.700 -9.395) 14.798 11.585 ( -0.499 -2.955 6.819) 7.449 11.768 ( 1.879 -0.551 -9.854) 10.046 12.456 ( -14.230 1.599 -8.471) 16.637 12.610 ( -13.020 0.794 2.444) 13.271 12.853 ( -12.031 -2.353 8.971) 15.191 12.867 ( 0.681 12.740 6.195) 14.183 12.989 ( -5.778 -5.089 2.842) 8.208 13.268 ( -2.620 -3.034 0.046) 4.009 13.500 ( -1.973 8.529 -3.304) 9.357 13.746 ( 16.624 -11.304 8.706) 21.907 13.861 ( 4.913 -0.552 -11.048) 12.104 13.977 ( -0.998 -1.276 -7.014) 7.198 14.251 ( 17.154 7.916 13.012) 22.940 14.585 ( -4.228 -3.086 -17.629) 18.389 14.838 ( -7.023 16.243 11.295) 20.994 15.088 ( -7.747 3.449 -14.270) 16.599 15.248 ( 0.316 -8.947 -9.242) 12.867 15.600 ( 12.791 -5.068 17.727) 22.439 15.770 ( 13.959 8.541 4.105) 16.872 16.053 ( 6.829 5.236 22.882) 24.447 16.797 ( -18.623 8.982 -28.499) 35.209 17.435 ( -0.866 0.436 22.257) 22.278 17.884 ( 13.208 1.881 -21.096) 24.960 18.188 ( 1.507 -1.690 -13.387) 13.577 18.381 ( 13.363 -14.164 11.657) 22.695 18.687 ( 0.914 -18.853 3.284) 19.158 18.894 ( 7.897 -4.606 -2.243) 9.413 18.941 ( -3.621 -5.550 -8.872) 11.074 19.078 ( -0.206 -19.123 -2.994) 19.357 21.086 ( -5.953 12.962 4.965) 15.103 21.170 ( -3.143 8.184 15.043) 17.411 21.703 ( -6.384 1.905 -3.189) 7.386 21.749 ( -9.560 4.138 -6.211) 12.129 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 2.643 10.187 13.667) 17.250 2.584 ( 14.726 -1.560 18.749) 23.892 2.906 ( 2.544 -1.729 -11.845) 12.238 3.086 ( -4.203 -4.750 -1.573) 6.535 3.278 ( -3.962 -0.835 2.629) 4.828 3.513 ( -6.989 1.744 -0.514) 7.222 3.680 ( -0.555 -7.062 -1.982) 7.356 3.790 ( 6.459 2.490 -4.330) 8.166 3.882 ( -5.549 -0.381 -6.484) 8.543 4.093 ( -7.696 0.642 -12.256) 14.487 4.202 ( 4.700 -0.224 8.431) 9.655 4.535 ( -1.183 -5.623 0.495) 5.768 6.947 ( 9.868 14.772 10.583) 20.679 7.145 ( 3.916 6.294 17.451) 18.960 7.919 ( 4.859 1.858 -2.287) 5.682 7.965 ( 10.572 4.051 -1.532) 11.425 8.522 ( 10.267 -9.240 22.328) 26.255 8.757 ( 12.275 -1.869 -0.849) 12.446 8.877 ( 0.296 -0.603 1.211) 1.385 9.192 ( 13.097 -3.458 16.671) 21.480 9.471 ( -2.758 4.080 -0.428) 4.943 9.530 ( 4.982 5.400 4.587) 8.661 10.048 ( -17.714 6.204 -6.004) 19.706 10.364 ( 8.876 -9.402 -8.930) 15.714 10.732 ( 2.175 3.806 -5.468) 7.008 10.939 ( 0.782 -13.099 -4.190) 13.775 11.505 ( -5.945 -2.351 6.643) 9.219 11.544 ( -0.508 -1.521 3.178) 3.560 11.786 ( 0.558 4.656 -16.846) 17.486 12.047 ( -23.128 5.275 -19.314) 30.590 12.440 ( -0.938 -0.971 -0.788) 1.563 12.648 ( -5.462 -2.915 3.985) 7.363 12.862 ( -0.246 10.148 3.393) 10.703 12.912 ( -1.142 -2.322 3.381) 4.257 13.233 ( -1.959 1.456 3.870) 4.575 13.485 ( -0.034 12.493 -2.079) 12.665 13.800 ( -7.201 -5.750 -9.612) 13.315 13.990 ( 0.519 4.175 -12.688) 13.367 14.098 ( 12.317 -12.959 0.912) 17.902 14.469 ( 0.689 2.473 -7.149) 7.596 14.532 ( -4.019 -1.930 -9.235) 10.255 14.734 ( -7.199 20.419 3.605) 21.949 14.947 ( 10.070 8.862 10.953) 17.318 15.347 ( 6.703 -17.414 -3.177) 18.928 15.857 ( 11.110 -11.578 4.237) 16.596 16.144 ( 9.169 5.003 5.435) 11.774 16.251 ( 15.292 7.835 17.666) 24.644 16.459 ( -5.334 14.486 -5.658) 16.441 17.467 ( 4.692 3.122 20.702) 21.455 18.084 ( 4.835 -2.679 -15.671) 16.618 18.278 ( 6.426 0.487 -9.692) 11.639 18.597 ( -8.462 -6.770 -4.521) 11.742 18.670 ( 7.370 -24.949 4.173) 26.347 18.884 ( 6.395 -7.798 12.710) 16.225 19.047 ( -1.580 -13.717 -4.779) 14.611 19.114 ( 6.096 -11.640 2.328) 13.344 20.925 ( -8.610 14.785 -1.703) 17.194 21.094 ( -3.439 7.340 9.020) 12.127 21.415 ( -16.383 7.564 -10.919) 21.091 21.612 ( -6.670 1.648 -3.513) 7.717 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 6.813 8.141 3.972) 11.334 2.864 ( 3.803 -2.982 6.934) 8.452 2.884 ( 0.156 -1.082 -4.852) 4.973 3.036 ( 1.181 -3.295 -6.471) 7.357 3.207 ( -2.169 -4.518 -0.209) 5.016 3.379 ( -5.205 0.060 1.006) 5.301 3.634 ( -1.963 -3.920 -3.698) 5.735 3.728 ( -6.460 -0.965 -4.814) 8.114 3.843 ( -3.520 1.698 -4.673) 6.092 3.922 ( -7.325 4.172 -9.842) 12.959 4.376 ( 9.277 -5.405 11.842) 15.985 4.541 ( 1.203 -7.199 4.453) 8.550 7.173 ( 11.685 15.420 9.860) 21.715 7.366 ( 16.877 7.521 10.850) 21.427 7.921 ( -5.088 6.446 -2.288) 8.525 8.170 ( 7.705 5.460 0.463) 9.455 8.749 ( 8.569 -8.260 12.372) 17.167 8.833 ( 2.342 -3.362 1.773) 4.465 9.028 ( 7.138 3.246 -5.918) 9.825 9.250 ( -5.878 -3.195 5.227) 8.489 9.413 ( -4.205 2.444 10.295) 11.386 9.711 ( -7.937 1.582 14.470) 16.579 9.814 ( 17.519 4.484 8.569) 20.012 10.508 ( 4.731 -15.020 -6.225) 16.933 10.784 ( 2.104 2.543 -4.755) 5.788 11.004 ( 3.315 -4.490 -9.460) 10.983 11.296 ( -14.088 -5.109 -0.293) 14.989 11.371 ( -14.058 -3.444 8.714) 16.894 11.611 ( -7.463 10.181 -8.250) 15.080 11.896 ( 1.564 5.942 -16.451) 17.561 12.469 ( 1.648 -7.180 -8.693) 11.395 12.616 ( -0.135 -4.557 -5.994) 7.531 12.904 ( 4.118 10.022 2.367) 11.091 12.936 ( 4.343 0.900 2.136) 4.922 13.181 ( -1.923 5.281 0.822) 5.680 13.496 ( 1.171 12.620 -3.199) 13.072 13.658 ( -5.067 -10.053 -10.285) 15.249 13.955 ( -3.849 8.997 -9.313) 13.510 14.124 ( -8.267 -4.387 -13.881) 16.741 14.180 ( -17.624 -2.719 -16.455) 24.265 14.670 ( 5.884 24.429 -6.121) 25.863 14.744 ( 14.302 -7.893 13.852) 21.418 15.315 ( 15.948 7.942 14.617) 23.046 15.442 ( 2.672 -16.822 6.011) 18.063 15.875 ( -13.146 1.727 -8.941) 15.992 16.070 ( 2.265 -7.746 -1.786) 8.265 16.687 ( 20.044 13.743 10.482) 26.467 16.786 ( 27.477 5.314 24.557) 37.233 17.655 ( 12.933 1.096 16.512) 21.002 18.061 ( -8.564 -4.878 -9.569) 13.737 18.223 ( -13.947 1.980 -6.334) 15.446 18.519 ( 7.857 -8.484 3.128) 11.979 18.783 ( 1.893 -24.615 4.208) 25.044 18.939 ( -7.954 -14.504 1.538) 16.614 19.069 ( 7.104 -8.422 18.741) 21.740 19.182 ( 0.492 -10.070 6.498) 11.994 20.770 ( -5.162 16.383 -11.652) 20.757 21.042 ( -3.840 6.785 -5.338) 9.449 21.109 ( -9.234 9.616 -10.892) 17.216 21.454 ( -8.206 2.186 -7.024) 11.020 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 11.204 5.147 -4.263) 13.046 2.653 ( -12.342 1.988 -8.671) 15.214 3.023 ( 3.151 -6.553 1.359) 7.397 3.057 ( -0.414 -6.817 -0.715) 6.867 3.224 ( 3.832 1.340 -3.091) 5.102 3.301 ( -2.958 -0.602 0.955) 3.166 3.606 ( -0.928 -4.059 -3.644) 5.533 3.621 ( -3.074 -2.453 -3.790) 5.462 3.770 ( -1.191 4.579 -3.537) 5.908 3.806 ( -3.977 5.118 -4.434) 7.853 4.517 ( 4.036 -8.927 10.082) 14.058 4.558 ( -0.195 -8.990 7.772) 11.885 7.440 ( 13.714 13.658 6.089) 20.290 7.719 ( -10.301 10.493 1.376) 14.768 7.805 ( 20.440 9.244 3.505) 22.705 8.185 ( -9.618 7.381 2.534) 12.386 8.772 ( -0.196 -1.006 -10.665) 10.714 8.855 ( -10.478 3.916 -15.940) 19.473 9.053 ( 12.391 -6.513 19.001) 23.600 9.281 ( -8.664 -2.872 17.578) 19.806 9.381 ( 12.000 -3.275 17.573) 21.530 9.590 ( -6.944 -3.033 20.171) 21.547 10.188 ( 16.881 -0.847 -2.640) 17.107 10.490 ( -9.375 -11.448 -9.319) 17.487 10.845 ( 4.673 -1.637 -4.958) 7.008 10.974 ( -5.251 3.456 -0.963) 6.360 11.073 ( -2.787 -0.766 -3.887) 4.844 11.141 ( -7.164 2.481 8.139) 11.123 11.642 ( 7.508 4.876 -1.338) 9.052 11.827 ( -7.930 4.927 -6.835) 11.571 12.512 ( 2.888 -10.133 -12.446) 16.307 12.579 ( -2.951 -8.168 -11.902) 14.734 12.971 ( 2.887 8.337 0.191) 8.825 13.019 ( -0.812 7.256 -1.007) 7.370 13.284 ( 13.370 1.101 -7.485) 15.362 13.512 ( -2.524 6.089 -7.133) 9.712 13.619 ( 1.333 -3.453 -8.074) 8.882 13.750 ( -13.975 8.850 -9.113) 18.886 13.913 ( -2.515 6.446 -8.295) 10.802 13.971 ( -7.386 -6.576 -11.847) 15.432 14.856 ( 11.078 22.133 -8.441) 26.150 14.991 ( 3.695 1.991 3.843) 5.691 15.363 ( -0.434 -8.724 3.669) 9.474 15.484 ( -7.432 -12.921 6.193) 16.142 15.819 ( 10.856 4.673 10.837) 16.035 16.030 ( -6.808 -1.681 9.889) 12.123 17.155 ( 23.818 8.118 1.982) 25.242 17.352 ( 24.753 1.260 16.558) 29.808 17.656 ( -19.538 4.660 -2.491) 20.240 17.826 ( -15.801 -1.693 7.246) 17.465 18.146 ( 16.624 -5.570 11.440) 20.934 18.561 ( -17.864 -16.225 9.942) 26.100 18.736 ( 8.136 -10.357 5.121) 14.131 18.859 ( -2.361 -20.666 5.328) 21.472 19.144 ( 1.066 -7.794 16.321) 18.117 19.167 ( -1.321 -9.502 11.528) 14.998 20.739 ( 2.287 15.263 -19.187) 24.623 20.853 ( -8.277 12.378 -20.277) 25.157 21.133 ( 5.417 4.857 -7.129) 10.186 21.280 ( -8.114 3.249 -9.120) 12.632 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.000 6.145 19.515) 20.460 2.403 ( 0.000 18.160 19.552) 26.684 2.743 ( 0.000 -6.033 -5.747) 8.332 3.226 ( 0.000 -4.512 2.066) 4.963 3.279 ( 0.000 3.343 -1.063) 3.508 3.476 ( 0.000 -0.755 5.592) 5.643 3.713 ( 0.000 1.876 -12.969) 13.104 3.716 ( 0.000 -0.353 -2.155) 2.184 4.010 ( 0.000 2.469 -1.618) 2.952 4.148 ( 0.000 -2.261 -2.125) 3.102 4.212 ( 0.000 -5.574 -16.045) 16.985 4.486 ( 0.000 -7.846 -5.305) 9.471 6.990 ( 0.000 14.331 4.519) 15.027 7.335 ( 0.000 -0.119 5.333) 5.335 7.647 ( 0.000 1.455 5.674) 5.858 7.735 ( 0.000 1.547 0.876) 1.778 8.198 ( 0.000 -2.993 19.407) 19.636 8.355 ( 0.000 10.065 12.506) 16.053 8.547 ( 0.000 -10.894 30.599) 32.480 9.136 ( 0.000 10.805 9.224) 14.206 9.231 ( 0.000 -11.788 -7.015) 13.717 9.956 ( 0.000 -9.877 -9.152) 13.465 9.985 ( 0.000 8.990 -12.460) 15.365 10.024 ( 0.000 -2.606 -5.771) 6.332 10.951 ( 0.000 0.384 5.374) 5.387 11.116 ( 0.000 0.833 -15.840) 15.861 11.463 ( 0.000 10.181 1.530) 10.296 11.575 ( 0.000 1.012 8.109) 8.172 11.713 ( 0.000 3.226 -15.940) 16.264 12.606 ( 0.000 -5.178 -16.739) 17.521 12.795 ( 0.000 1.288 8.648) 8.743 12.861 ( 0.000 -6.630 1.490) 6.796 13.035 ( 0.000 -2.825 4.614) 5.411 13.131 ( 0.000 12.307 10.160) 15.959 13.250 ( 0.000 -6.107 -2.623) 6.647 13.336 ( 0.000 -6.659 8.852) 11.077 13.477 ( 0.000 -9.461 -10.424) 14.077 13.754 ( 0.000 5.057 -0.019) 5.057 14.095 ( 0.000 7.033 -6.052) 9.278 14.195 ( 0.000 9.303 15.273) 17.883 14.584 ( 0.000 -2.087 -18.511) 18.628 15.096 ( 0.000 -6.539 -7.014) 9.589 15.165 ( 0.000 3.390 10.816) 11.335 15.248 ( 0.000 2.476 -10.079) 10.379 15.561 ( 0.000 10.020 20.758) 23.050 15.807 ( 0.000 15.649 -2.564) 15.858 16.080 ( 0.000 5.689 16.335) 17.298 17.249 ( 0.000 11.234 -27.557) 29.759 17.423 ( 0.000 -0.635 20.346) 20.356 17.753 ( 0.000 3.987 -20.079) 20.471 17.802 ( 0.000 -29.231 10.451) 31.043 18.132 ( 0.000 -6.266 -12.970) 14.404 18.308 ( 0.000 -13.764 2.679) 14.022 18.653 ( 0.000 -13.422 7.630) 15.440 18.702 ( 0.000 -10.431 -12.355) 16.169 18.870 ( 0.000 -8.015 -7.566) 11.022 21.412 ( 0.000 12.953 7.444) 14.939 21.415 ( 0.000 12.462 8.943) 15.339 21.770 ( 0.000 0.322 0.778) 0.842 21.909 ( 0.000 -0.991 -6.053) 6.134 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 6.154 7.356 15.541) 18.262 2.420 ( 2.433 14.487 19.405) 24.338 2.774 ( 2.956 -5.243 -6.146) 8.602 3.136 ( -5.646 -1.671 -0.346) 5.898 3.297 ( -2.066 -4.693 2.021) 5.512 3.513 ( 1.660 -5.777 1.708) 6.249 3.650 ( -2.765 3.226 -3.578) 5.555 3.763 ( 3.403 4.888 -8.753) 10.587 3.975 ( -3.943 -0.002 -3.612) 5.347 4.131 ( -0.939 -1.294 -2.638) 3.085 4.200 ( -1.118 -3.397 -12.396) 12.901 4.458 ( -2.421 -7.281 -4.305) 8.798 7.069 ( 7.178 14.971 6.088) 17.684 7.297 ( -1.228 6.549 11.101) 12.947 7.757 ( 8.533 -0.281 2.189) 8.814 7.838 ( 9.653 3.076 1.506) 10.243 8.262 ( -1.794 -3.748 20.353) 20.773 8.374 ( 12.738 -2.515 14.400) 19.390 8.732 ( 12.065 -3.214 17.028) 21.115 9.123 ( -0.707 9.746 11.053) 14.753 9.302 ( 6.771 -9.710 -4.286) 12.590 9.747 ( -10.067 0.697 -2.398) 10.372 10.015 ( 4.053 -2.834 -10.912) 11.980 10.303 ( 14.709 -1.268 -9.250) 17.422 10.870 ( -17.611 5.185 -8.204) 20.108 10.929 ( -4.386 2.815 -0.354) 5.224 11.418 ( -3.942 -5.319 -2.841) 7.204 11.552 ( -0.505 -1.186 5.264) 5.419 11.846 ( 6.954 8.218 -12.771) 16.703 12.456 ( -12.479 -3.813 -19.643) 23.582 12.623 ( -12.644 1.567 5.713) 13.963 12.796 ( -7.789 -2.753 4.442) 9.380 12.922 ( -9.107 -1.663 3.772) 9.996 13.084 ( -1.975 1.333 4.318) 4.932 13.224 ( 5.133 5.219 1.214) 7.421 13.451 ( 9.736 -9.284 9.320) 16.366 13.674 ( 8.900 -0.763 -2.724) 9.339 13.893 ( 8.753 2.260 -5.736) 10.706 14.021 ( -2.755 8.017 -7.653) 11.421 14.382 ( 10.286 2.820 4.451) 11.557 14.537 ( -1.029 1.025 -7.399) 7.540 15.030 ( -3.906 -4.324 -5.312) 7.885 15.088 ( -4.786 5.037 -6.284) 9.368 15.330 ( 1.145 5.845 -2.032) 6.293 15.468 ( -3.454 0.990 15.526) 15.936 15.953 ( 11.904 9.059 8.140) 17.031 16.175 ( 9.393 8.454 20.241) 23.862 17.029 ( -15.391 14.206 -23.436) 31.432 17.470 ( 3.973 3.189 18.099) 18.802 17.888 ( 7.290 -15.240 -8.264) 18.807 17.916 ( 7.838 -18.491 -3.983) 20.475 18.147 ( 3.912 -4.038 -11.355) 12.671 18.359 ( 4.971 -12.642 5.783) 14.764 18.665 ( 0.742 -17.851 3.588) 18.223 18.800 ( 7.094 -6.840 -8.052) 12.725 18.807 ( -4.929 -7.243 -5.491) 10.340 21.358 ( -4.947 13.343 4.560) 14.943 21.372 ( -3.849 11.953 8.294) 15.049 21.731 ( -3.905 0.599 -0.775) 4.026 21.804 ( -9.235 0.433 -6.195) 11.129 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 1.470 14.061 7.653) 16.076 2.579 ( 11.384 1.819 17.543) 20.992 2.859 ( 4.657 -2.941 -6.950) 8.868 3.019 ( -5.196 -2.384 -1.760) 5.982 3.201 ( -5.813 -5.822 0.663) 8.254 3.429 ( -7.579 -10.440 -2.116) 13.073 3.632 ( -1.081 2.096 -0.232) 2.369 3.838 ( -4.420 -0.618 -4.077) 6.045 3.886 ( 2.187 3.414 -8.459) 9.380 4.093 ( -3.613 -0.452 -10.060) 10.698 4.193 ( 1.545 -0.613 0.919) 1.899 4.406 ( -2.083 -7.012 -1.455) 7.458 7.274 ( 12.360 15.205 10.601) 22.279 7.344 ( 6.022 15.182 12.221) 20.399 7.938 ( 7.932 -0.179 -0.091) 7.934 8.100 ( 13.538 9.170 2.121) 16.488 8.298 ( 6.503 -12.407 22.433) 26.447 8.698 ( 15.610 -4.381 6.252) 17.377 8.888 ( 0.911 2.551 0.429) 2.743 9.172 ( 6.124 1.765 16.025) 17.246 9.480 ( 4.783 -3.721 0.675) 6.097 9.601 ( 0.781 -1.080 8.464) 8.568 10.098 ( 2.004 -3.021 -10.450) 11.061 10.377 ( -19.393 14.587 -7.072) 25.276 10.639 ( 10.879 -11.790 -7.373) 17.655 10.868 ( -2.022 5.215 -1.884) 5.902 11.302 ( -6.724 -12.952 1.957) 14.724 11.494 ( -7.129 -6.861 2.154) 10.126 11.940 ( 2.477 8.243 -14.155) 16.567 12.119 ( -17.061 1.531 -21.266) 27.307 12.423 ( -5.962 -0.243 -1.665) 6.195 12.594 ( -6.523 -2.881 0.921) 7.190 12.886 ( 2.699 2.841 2.241) 4.515 13.081 ( 0.964 7.285 6.806) 10.016 13.300 ( 1.775 6.632 1.012) 6.940 13.615 ( 0.979 -3.959 3.429) 5.328 13.758 ( 0.188 -3.869 0.558) 3.913 13.932 ( 2.188 7.081 -10.491) 12.845 14.128 ( 6.338 7.089 -6.589) 11.569 14.398 ( -1.358 -7.189 -11.227) 13.400 14.577 ( -6.753 6.210 -8.233) 12.327 15.034 ( 2.931 -10.115 -3.474) 11.089 15.080 ( 10.374 2.193 8.959) 13.881 15.240 ( -3.075 27.908 6.314) 28.778 15.557 ( 7.083 -18.419 4.810) 20.311 16.206 ( 8.292 -0.144 6.923) 10.803 16.461 ( 16.950 13.670 19.692) 29.359 16.758 ( -5.944 16.352 -9.549) 19.847 17.577 ( 5.831 7.227 15.843) 18.364 17.939 ( -0.803 -13.648 -15.155) 20.411 18.074 ( 7.252 -31.130 5.922) 32.507 18.306 ( 7.310 -1.885 -7.366) 10.547 18.442 ( -1.214 -6.360 -2.064) 6.796 18.683 ( -1.928 -14.243 3.731) 14.850 18.706 ( 2.743 -11.393 9.317) 14.971 18.945 ( 4.591 -8.920 -2.589) 10.361 21.226 ( -7.050 14.369 -1.632) 16.088 21.275 ( -4.818 10.480 3.894) 12.174 21.543 ( -12.969 4.389 -9.104) 16.442 21.638 ( -6.374 0.523 -3.617) 7.347 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 3.834 11.744 1.961) 12.508 2.791 ( 6.601 -3.636 12.465) 14.566 2.871 ( -4.480 -0.411 -5.846) 7.377 2.975 ( -0.140 -2.463 -6.704) 7.144 3.126 ( 1.359 -3.867 -2.994) 5.075 3.288 ( -4.340 -8.055 2.659) 9.529 3.583 ( -3.321 -1.741 -0.955) 3.869 3.696 ( -6.948 -2.726 -5.835) 9.474 3.903 ( -1.731 4.541 -3.789) 6.163 3.993 ( -5.012 2.913 -9.108) 10.796 4.259 ( 3.555 -5.809 4.891) 8.384 4.377 ( -0.944 -8.750 1.918) 9.007 7.520 ( 10.965 16.787 12.870) 23.825 7.605 ( 18.655 17.935 8.352) 27.192 8.055 ( 2.271 6.107 0.836) 6.569 8.333 ( 8.292 10.638 4.704) 14.284 8.530 ( 13.978 -13.334 18.261) 26.583 8.791 ( -3.270 0.503 -2.976) 4.449 9.041 ( 12.362 -3.825 8.201) 15.320 9.220 ( -5.625 0.775 0.573) 5.707 9.387 ( -6.607 -4.313 9.647) 12.463 9.785 ( -6.360 2.143 1.110) 6.803 9.898 ( 1.744 2.570 2.298) 3.864 10.267 ( 3.950 -5.318 -3.018) 7.280 10.784 ( 0.257 -4.203 -8.329) 9.333 10.919 ( 7.656 -1.172 -3.315) 8.424 11.162 ( -7.302 -8.252 -1.009) 11.065 11.275 ( -9.913 -6.401 9.552) 15.182 11.796 ( -8.215 8.732 -13.441) 18.011 12.035 ( 1.950 5.973 -16.223) 17.397 12.331 ( -3.535 -5.140 -7.626) 9.852 12.514 ( -3.172 -5.585 -8.230) 10.440 12.989 ( 6.532 5.369 0.673) 8.482 13.127 ( 4.025 10.076 4.846) 11.883 13.297 ( -1.851 6.242 -1.153) 6.612 13.501 ( -5.703 -3.643 -4.796) 8.295 13.793 ( -0.066 12.341 -4.166) 13.026 13.913 ( -4.971 -8.134 -11.171) 14.685 14.169 ( -4.432 7.761 -5.418) 10.451 14.285 ( -8.272 8.677 -11.046) 16.301 14.555 ( 9.892 -4.855 5.120) 12.151 15.071 ( -0.241 -16.072 4.799) 16.775 15.255 ( 5.846 31.103 -2.099) 31.717 15.415 ( 15.395 -0.344 14.038) 20.837 15.704 ( 6.432 -19.548 0.612) 20.588 16.130 ( -11.808 13.292 -14.581) 22.994 16.830 ( 19.007 2.664 10.041) 21.661 16.972 ( 20.920 9.392 21.976) 31.761 17.692 ( 4.368 0.820 10.167) 11.096 17.904 ( -2.407 -12.944 -7.110) 14.963 18.192 ( -0.701 -21.219 4.568) 21.716 18.229 ( -7.399 -4.726 1.499) 8.907 18.442 ( 1.460 -1.535 0.024) 2.118 18.649 ( -1.448 -13.065 4.737) 13.972 18.838 ( 6.373 -14.953 17.025) 23.538 18.968 ( -2.013 -11.490 6.978) 13.593 21.094 ( -4.923 15.166 -9.752) 18.691 21.199 ( -2.286 8.482 -4.278) 9.771 21.291 ( -9.864 7.719 -12.753) 17.875 21.494 ( -7.274 1.302 -7.405) 10.462 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 7.309 7.535 -3.136) 10.956 2.702 ( -8.670 2.765 -5.041) 10.403 2.894 ( 2.060 -6.391 3.273) 7.470 2.933 ( -2.224 -5.539 -0.612) 6.001 3.228 ( 4.964 -0.601 -4.103) 6.468 3.266 ( 0.761 -1.671 0.140) 1.841 3.517 ( -1.682 -5.106 -1.884) 5.696 3.563 ( -5.379 -4.005 -4.792) 8.242 3.872 ( -0.056 5.794 -2.023) 6.137 3.907 ( -3.095 5.208 -3.495) 6.994 4.316 ( 2.072 -10.529 5.350) 11.990 4.353 ( -1.492 -10.897 4.508) 11.887 7.768 ( 12.205 18.638 9.199) 24.103 7.983 ( -3.490 15.730 5.359) 16.980 8.053 ( 17.095 15.160 5.616) 23.529 8.379 ( -6.785 11.628 6.551) 14.972 8.762 ( 3.798 -0.197 -2.165) 4.376 8.826 ( 7.845 -11.173 17.522) 22.213 8.979 ( -7.775 0.664 -8.073) 11.228 9.151 ( -10.221 -9.954 8.206) 16.459 9.323 ( 8.859 0.399 3.863) 9.673 9.538 ( -10.262 -0.946 9.972) 14.340 10.124 ( 10.461 -8.891 -2.602) 13.973 10.285 ( -3.909 -9.845 -8.247) 13.425 10.811 ( 4.043 -0.179 -0.384) 4.065 10.943 ( -7.778 -3.106 2.587) 8.765 11.085 ( 4.372 0.471 -1.540) 4.659 11.168 ( -3.367 -0.337 5.144) 6.158 11.782 ( 6.506 8.870 -6.417) 12.735 11.975 ( -8.610 8.954 -8.180) 14.873 12.310 ( 3.020 -9.780 -11.883) 15.684 12.420 ( -5.819 -7.773 -12.481) 15.813 13.112 ( 4.379 5.396 -2.304) 7.321 13.176 ( -2.050 7.845 -0.261) 8.113 13.350 ( 10.084 4.722 -6.430) 12.858 13.480 ( 2.150 -5.780 -13.250) 14.615 13.667 ( -8.241 9.060 -5.398) 13.384 13.747 ( -11.212 -4.651 -9.430) 15.371 14.100 ( 2.609 14.691 -1.766) 15.025 14.190 ( -4.351 16.219 -2.341) 16.954 14.797 ( 11.432 -12.134 11.130) 20.045 14.995 ( -6.918 -14.665 10.368) 19.246 15.445 ( 11.168 27.729 -7.725) 30.875 15.618 ( -0.030 5.771 1.650) 6.003 15.799 ( 3.575 -9.306 1.343) 10.059 15.901 ( -7.265 3.114 -7.850) 11.140 17.235 ( 18.188 -7.394 5.154) 20.298 17.389 ( 13.108 -1.743 11.705) 17.660 17.679 ( -3.665 -4.750 3.822) 7.113 17.833 ( -8.412 9.406 8.999) 15.499 18.038 ( 1.422 -9.257 8.379) 12.566 18.182 ( -7.215 -10.296 10.570) 16.426 18.481 ( 4.573 -14.065 6.022) 15.969 18.597 ( -4.676 -6.717 3.794) 9.021 18.916 ( 1.124 -15.161 17.513) 23.191 18.922 ( -0.842 -14.513 15.290) 21.098 21.041 ( 0.158 14.190 -15.938) 21.340 21.101 ( -5.369 11.663 -17.130) 21.408 21.238 ( 3.198 5.086 -8.926) 10.759 21.346 ( -6.548 2.808 -9.987) 12.268 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 0.000 11.098 9.683) 14.728 2.594 ( 0.000 -9.201 1.200) 9.279 2.756 ( 0.000 16.955 12.627) 21.141 3.045 ( 0.000 -12.528 7.071) 14.385 3.320 ( 0.000 1.992 -4.692) 5.098 3.395 ( 0.000 -5.522 -3.189) 6.377 3.780 ( 0.000 6.204 -1.908) 6.490 3.837 ( 0.000 5.607 -10.327) 11.751 3.988 ( 0.000 -2.743 -5.907) 6.513 4.079 ( 0.000 -7.839 -14.912) 16.847 4.182 ( 0.000 6.204 -3.216) 6.987 4.328 ( 0.000 -8.174 -5.258) 9.719 7.216 ( 0.000 8.324 0.594) 8.345 7.315 ( 0.000 -2.425 1.504) 2.854 7.708 ( 0.000 3.706 4.618) 5.921 7.749 ( 0.000 -0.380 1.829) 1.868 8.178 ( 0.000 2.705 26.668) 26.805 8.322 ( 0.000 -11.065 30.939) 32.858 8.637 ( 0.000 17.180 9.338) 19.554 8.964 ( 0.000 -15.612 1.224) 15.659 9.377 ( 0.000 13.754 5.773) 14.916 9.664 ( 0.000 -15.596 0.071) 15.596 10.062 ( 0.000 2.164 -6.892) 7.223 10.080 ( 0.000 1.038 -7.659) 7.729 10.999 ( 0.000 4.185 -5.145) 6.632 11.083 ( 0.000 -3.671 -13.263) 13.762 11.577 ( 0.000 2.279 10.333) 10.581 11.593 ( 0.000 0.360 9.917) 9.923 11.956 ( 0.000 19.908 -21.655) 29.416 12.365 ( 0.000 -19.401 -19.801) 27.721 12.794 ( 0.000 -0.255 3.984) 3.992 12.804 ( 0.000 -0.431 6.404) 6.418 13.012 ( 0.000 2.182 -7.112) 7.439 13.116 ( 0.000 -6.960 -7.044) 9.903 13.182 ( 0.000 -0.834 3.958) 4.045 13.223 ( 0.000 -5.550 3.291) 6.452 13.575 ( 0.000 12.974 9.353) 15.994 13.758 ( 0.000 -4.837 8.119) 9.451 14.234 ( 0.000 6.034 -7.712) 9.792 14.302 ( 0.000 0.215 0.347) 0.408 14.631 ( 0.000 8.757 -0.186) 8.759 14.877 ( 0.000 -14.149 9.618) 17.108 15.220 ( 0.000 2.825 -8.325) 8.791 15.261 ( 0.000 -0.963 -8.059) 8.116 15.774 ( 0.000 10.913 13.573) 17.416 15.942 ( 0.000 -4.672 5.482) 7.203 16.448 ( 0.000 32.200 13.176) 34.792 17.137 ( 0.000 -36.668 9.660) 37.919 17.432 ( 0.000 5.597 -14.234) 15.294 17.446 ( 0.000 2.294 9.428) 9.703 17.832 ( 0.000 4.310 -15.119) 15.721 17.954 ( 0.000 -9.169 -1.185) 9.246 18.204 ( 0.000 1.386 -11.991) 12.071 18.342 ( 0.000 -12.665 -9.134) 15.615 18.655 ( 0.000 1.026 -1.934) 2.189 18.728 ( 0.000 -6.059 -3.847) 7.177 21.630 ( 0.000 8.671 3.327) 9.288 21.648 ( 0.000 11.242 4.983) 12.297 21.745 ( 0.000 -3.329 1.768) 3.770 21.830 ( 0.000 -7.060 -0.950) 7.123 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 5.687 9.610 8.622) 14.108 2.626 ( 2.342 -6.348 1.802) 7.002 2.752 ( 0.402 14.014 10.716) 17.646 3.014 ( -2.728 -11.007 6.279) 12.963 3.256 ( -5.451 1.815 -4.485) 7.289 3.355 ( -4.270 -7.800 -3.683) 9.625 3.755 ( -2.119 6.335 -1.523) 6.851 3.861 ( 0.068 -0.785 -5.053) 5.114 3.956 ( -1.293 2.946 -10.156) 10.653 4.080 ( -0.006 -6.213 -14.167) 15.469 4.192 ( 0.713 4.860 -2.810) 5.659 4.316 ( -1.128 -7.172 -4.536) 8.560 7.308 ( 8.290 8.931 3.358) 12.640 7.389 ( 7.021 1.030 2.723) 7.601 7.774 ( 5.483 2.692 6.665) 9.040 7.845 ( 8.137 -2.921 6.086) 10.573 8.237 ( 2.515 2.108 21.939) 22.183 8.318 ( 6.374 -4.596 20.642) 22.087 8.793 ( 11.647 10.551 10.184) 18.726 9.061 ( 8.753 -14.468 2.096) 17.039 9.347 ( -2.825 12.718 7.118) 14.846 9.601 ( -5.351 -12.523 2.678) 13.879 10.074 ( 3.272 6.670 -6.517) 9.883 10.213 ( 9.022 -6.860 -5.664) 12.671 10.992 ( -2.007 3.419 -7.376) 8.374 11.009 ( -6.611 4.009 -10.357) 12.925 11.368 ( -15.359 2.854 1.268) 15.673 11.485 ( -8.229 -5.893 4.646) 11.137 12.041 ( 3.509 11.504 -14.359) 18.730 12.283 ( -7.015 -12.429 -19.182) 23.909 12.683 ( -11.773 4.103 4.555) 13.274 12.757 ( -8.548 -2.577 5.241) 10.352 12.918 ( -3.526 2.519 -1.331) 4.533 13.015 ( 4.783 -5.534 0.313) 7.321 13.264 ( 5.598 1.024 -0.585) 5.721 13.351 ( 7.075 -5.364 2.458) 9.213 13.743 ( 9.908 9.435 5.059) 14.587 13.891 ( 9.255 -3.747 3.753) 10.667 14.190 ( -1.511 7.735 -7.557) 10.919 14.322 ( -0.952 -6.017 -9.385) 11.189 14.683 ( 5.987 11.532 8.525) 15.540 14.915 ( 2.653 -9.866 6.381) 12.045 15.139 ( -7.173 1.885 -11.992) 14.101 15.206 ( -3.728 -5.647 -7.194) 9.877 15.751 ( -1.492 15.075 13.772) 20.473 15.970 ( 3.635 -6.822 11.190) 13.600 16.544 ( 9.034 28.922 15.152) 33.878 17.185 ( 4.005 -31.871 8.948) 33.344 17.339 ( -7.857 11.614 -17.581) 22.488 17.543 ( 6.912 -2.782 2.292) 7.796 17.826 ( -2.430 -1.523 -8.142) 8.632 17.961 ( 5.748 -12.092 5.729) 14.563 18.295 ( 7.072 3.741 -9.743) 12.607 18.413 ( 4.218 -8.442 -4.814) 10.594 18.692 ( 1.739 -3.297 -4.219) 5.629 18.697 ( -1.141 -3.601 -3.540) 5.177 21.584 ( -5.511 9.872 2.990) 11.695 21.585 ( -4.268 8.704 2.435) 9.996 21.710 ( -3.391 -2.917 0.338) 4.486 21.752 ( -6.876 -5.557 -1.972) 9.058 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 4.937 7.683 3.087) 9.641 2.655 ( 1.823 2.838 8.775) 9.401 2.824 ( 6.223 2.369 3.050) 7.324 2.955 ( -2.267 -6.121 2.799) 7.102 3.122 ( -6.477 0.146 -3.155) 7.206 3.223 ( -7.496 -9.209 -2.381) 12.110 3.686 ( -4.531 3.688 -0.901) 5.911 3.774 ( -6.623 -4.771 -3.194) 8.765 3.986 ( 1.945 5.401 -10.327) 11.815 4.069 ( -1.304 -2.746 -11.957) 12.338 4.201 ( -0.037 2.318 -1.444) 2.731 4.282 ( -2.118 -5.528 -2.372) 6.377 7.536 ( 13.064 11.927 11.577) 21.142 7.606 ( 13.489 7.439 1.860) 15.516 7.915 ( 8.052 -1.054 6.974) 10.704 8.012 ( 7.252 -11.569 18.200) 22.752 8.367 ( 11.462 12.984 10.014) 20.006 8.578 ( 15.092 -8.312 10.356) 20.103 9.015 ( 6.442 11.246 1.389) 13.035 9.237 ( 0.850 -0.367 4.012) 4.118 9.335 ( 9.545 -6.465 8.868) 14.545 9.452 ( -8.796 -10.166 7.725) 15.504 10.168 ( 4.408 9.187 -3.774) 10.866 10.380 ( 2.921 -11.627 -3.908) 12.609 10.740 ( -12.060 16.874 -9.395) 22.769 11.003 ( 1.129 0.076 -5.496) 5.611 11.062 ( -13.332 -2.569 -1.944) 13.715 11.291 ( -9.292 -13.348 0.205) 16.265 12.059 ( -1.313 4.101 -13.041) 13.734 12.112 ( -8.197 -1.667 -17.175) 19.104 12.451 ( -8.586 3.043 -3.353) 9.706 12.524 ( -8.575 -4.077 -2.259) 9.760 13.010 ( 7.368 8.859 2.547) 11.800 13.146 ( 5.560 -1.584 5.116) 7.720 13.364 ( 2.905 0.452 -0.488) 2.980 13.460 ( 2.675 -7.999 2.428) 8.777 13.831 ( -0.848 11.922 1.111) 12.003 14.053 ( 5.433 -5.130 -2.769) 7.969 14.198 ( -1.684 3.776 -6.221) 7.470 14.287 ( 0.926 -3.421 -8.719) 9.412 14.772 ( -1.306 13.988 -3.197) 14.408 14.975 ( -0.812 5.076 -4.526) 6.849 15.038 ( 6.559 -8.319 4.348) 11.451 15.185 ( 2.296 -17.271 -0.751) 17.439 15.760 ( 3.014 23.432 9.923) 25.625 16.100 ( 8.400 -11.320 11.843) 18.411 16.801 ( 14.494 22.306 17.092) 31.619 17.118 ( -10.041 20.818 -15.210) 27.669 17.334 ( 8.106 -30.236 10.557) 33.036 17.560 ( -5.289 -22.848 -13.658) 27.139 17.903 ( 10.312 11.871 12.982) 20.391 18.147 ( 8.985 -11.325 6.191) 15.726 18.417 ( 3.429 -0.195 -1.456) 3.730 18.471 ( 1.493 -7.179 4.456) 8.581 18.624 ( -3.397 3.811 -2.734) 5.791 18.766 ( 2.207 -9.066 -4.544) 10.379 21.441 ( -7.267 7.841 -0.868) 10.726 21.469 ( -6.589 7.483 -2.297) 10.232 21.571 ( -9.173 -0.819 -5.442) 10.697 21.614 ( -5.867 -3.138 -3.380) 7.463 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 1.072 8.665 1.054) 8.794 2.728 ( 2.586 -3.303 7.258) 8.383 2.884 ( -4.010 2.132 -2.084) 4.997 2.934 ( -2.200 -2.186 -5.282) 6.125 3.071 ( 4.827 -1.030 -1.160) 5.070 3.127 ( 1.662 -6.965 3.988) 8.196 3.572 ( -6.269 1.107 -1.285) 6.494 3.626 ( -7.291 -3.906 -4.250) 9.300 3.997 ( -0.648 4.217 -5.312) 6.813 4.031 ( -1.747 0.683 -8.138) 8.352 4.181 ( -1.935 -1.404 0.212) 2.400 4.229 ( -2.897 -5.905 0.341) 6.586 7.835 ( 14.902 16.231 13.063) 25.616 7.932 ( 17.365 11.758 5.650) 21.719 8.108 ( 9.983 -1.286 5.893) 11.664 8.209 ( 12.615 -15.596 19.987) 28.317 8.616 ( 9.626 14.390 7.805) 18.991 8.838 ( 5.801 -3.877 4.693) 8.409 8.962 ( -6.046 4.360 5.863) 9.484 9.157 ( -12.475 -9.186 4.754) 16.205 9.365 ( 4.255 5.370 3.757) 7.814 9.591 ( 11.709 -15.936 -1.032) 19.801 10.061 ( -18.592 12.117 -13.141) 25.791 10.244 ( -7.760 -4.055 -5.396) 10.284 10.750 ( 6.968 3.888 -0.988) 8.040 10.882 ( -0.399 -5.905 6.693) 8.934 11.051 ( 2.257 -0.263 -3.780) 4.410 11.134 ( -4.819 -7.147 3.781) 9.413 11.948 ( -4.760 6.776 -13.978) 16.246 12.053 ( -0.020 -3.578 -14.393) 14.831 12.324 ( -5.134 3.451 -9.829) 11.614 12.410 ( -4.244 -4.973 -9.935) 11.893 13.125 ( 2.816 7.700 -1.526) 8.340 13.236 ( 3.765 -1.151 0.153) 3.940 13.351 ( -2.435 4.022 -1.098) 4.828 13.485 ( -0.427 -5.333 0.299) 5.359 13.821 ( 0.254 9.223 -0.063) 9.227 14.078 ( -2.472 -4.981 -1.835) 5.856 14.094 ( -5.729 4.369 -4.943) 8.737 14.313 ( -0.804 -8.162 0.589) 8.222 14.759 ( 3.040 21.183 -4.530) 21.874 14.986 ( 1.841 8.898 -1.281) 9.176 15.236 ( 7.578 -20.597 1.366) 21.989 15.284 ( 6.928 -16.121 3.611) 17.914 15.885 ( 8.974 29.913 1.729) 31.278 16.289 ( 8.389 -5.796 1.531) 10.311 16.894 ( -7.870 9.696 -9.068) 15.434 17.090 ( 5.778 0.437 6.736) 8.886 17.481 ( 4.605 -13.969 4.315) 15.328 17.565 ( 12.173 -17.339 12.806) 24.755 18.124 ( 8.871 12.127 11.771) 19.087 18.240 ( -0.680 4.184 5.699) 7.103 18.421 ( -3.949 -8.650 8.535) 12.778 18.499 ( 1.256 -10.612 12.484) 16.433 18.573 ( -0.316 2.421 1.225) 2.732 18.748 ( -4.074 -10.833 2.576) 11.856 21.311 ( -4.777 6.333 -8.126) 11.356 21.340 ( -4.722 4.294 -7.518) 9.862 21.396 ( -7.142 4.572 -10.227) 13.286 21.484 ( -6.341 -2.738 -8.026) 10.589 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 3.435 6.282 -0.897) 7.216 2.752 ( -2.326 1.003 2.068) 3.270 2.788 ( -1.239 -3.044 -1.680) 3.691 2.839 ( -4.245 -4.328 -0.631) 6.095 3.227 ( 7.839 1.426 -0.688) 7.998 3.259 ( 7.513 -0.366 -2.661) 7.979 3.430 ( -6.514 -2.167 -1.651) 7.061 3.470 ( -7.564 -4.841 -4.331) 9.970 3.988 ( 0.553 5.944 -1.737) 6.218 4.010 ( -0.798 5.180 -1.847) 5.557 4.140 ( -0.987 -7.039 1.123) 7.196 4.165 ( -2.854 -8.023 1.611) 8.666 8.131 ( 12.794 18.287 11.767) 25.230 8.269 ( 4.199 11.037 10.024) 15.489 8.316 ( 15.586 9.025 11.931) 21.604 8.473 ( 7.281 -11.270 17.428) 21.995 8.696 ( -0.602 7.758 5.731) 9.664 8.756 ( -2.391 0.810 5.382) 5.945 8.868 ( -11.030 -10.068 4.149) 15.500 8.925 ( -5.953 -12.313 5.893) 14.892 9.473 ( 6.289 13.760 -7.721) 16.985 9.671 ( -13.053 14.904 -10.363) 22.358 9.823 ( 8.418 -18.982 -7.426) 22.053 10.026 ( -10.970 -17.549 -12.044) 23.945 10.891 ( 5.903 7.296 7.561) 12.051 10.956 ( 1.664 3.264 3.883) 5.339 11.050 ( 1.123 -3.179 4.112) 5.317 11.105 ( -1.296 -5.848 3.263) 6.821 11.959 ( 6.256 8.815 -10.610) 15.146 12.100 ( 2.962 -2.043 -13.270) 13.749 12.175 ( -7.192 1.217 -9.511) 11.986 12.283 ( -8.078 -6.460 -12.166) 15.968 13.204 ( 5.498 4.558 -6.681) 9.780 13.273 ( 0.785 0.225 -7.602) 7.645 13.345 ( 0.347 0.103 -7.145) 7.155 13.422 ( -5.215 -4.394 -8.832) 11.158 13.821 ( 1.537 13.908 2.606) 14.233 13.927 ( -7.658 16.212 2.139) 18.057 14.126 ( 5.360 -13.239 6.180) 15.562 14.246 ( -5.142 -12.987 6.190) 15.278 14.876 ( 6.549 20.902 -1.096) 21.931 14.982 ( -2.862 16.485 0.108) 16.732 15.358 ( 4.348 -24.677 -1.112) 25.082 15.390 ( 1.815 -20.533 2.163) 20.726 16.120 ( 12.636 33.740 -5.902) 36.509 16.341 ( -5.763 27.503 -9.654) 29.712 16.837 ( 4.642 -27.810 -2.739) 28.327 17.010 ( -9.151 -29.303 -5.568) 31.200 17.770 ( 18.117 6.583 18.693) 26.851 17.861 ( 15.225 -3.585 15.308) 21.886 18.080 ( -10.345 11.501 12.699) 20.014 18.184 ( -13.793 2.141 13.250) 19.246 18.361 ( 6.870 2.762 10.018) 12.457 18.496 ( -3.440 -2.925 5.827) 7.372 18.602 ( 1.460 -14.839 12.895) 19.713 18.640 ( -3.877 -12.912 11.727) 17.868 21.250 ( -0.772 6.617 -13.677) 15.213 21.281 ( -3.599 6.956 -13.717) 15.795 21.301 ( 0.846 0.797 -11.313) 11.373 21.364 ( -4.745 -1.431 -11.436) 12.463 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 0.000 0.000 23.516) 23.516 2.700 ( 0.000 0.000 20.577) 20.577 2.765 ( 0.000 0.000 0.986) 0.986 2.970 ( 0.000 0.000 -9.027) 9.027 3.151 ( 0.000 0.000 -3.012) 3.012 3.383 ( 0.000 0.000 -16.079) 16.079 3.815 ( 0.000 0.000 1.251) 1.251 3.839 ( 0.000 0.000 0.556) 0.556 3.955 ( 0.000 0.000 -3.785) 3.785 4.041 ( 0.000 0.000 -10.421) 10.421 4.240 ( 0.000 0.000 12.081) 12.081 4.575 ( 0.000 0.000 -5.749) 5.749 6.885 ( 0.000 0.000 17.602) 17.602 7.494 ( 0.000 0.000 5.922) 5.922 7.550 ( 0.000 0.000 -12.248) 12.248 7.605 ( 0.000 0.000 -2.395) 2.395 8.613 ( 0.000 0.000 15.214) 15.214 8.640 ( 0.000 0.000 25.153) 25.153 8.966 ( 0.000 0.000 5.834) 5.834 9.189 ( 0.000 0.000 -15.633) 15.633 9.536 ( 0.000 0.000 36.077) 36.077 9.538 ( 0.000 0.000 -3.135) 3.135 9.651 ( 0.000 0.000 -12.485) 12.485 10.192 ( 0.000 0.000 -8.540) 8.540 10.625 ( 0.000 0.000 -20.115) 20.115 10.673 ( 0.000 0.000 -30.982) 30.982 11.301 ( 0.000 0.000 19.738) 19.738 11.654 ( 0.000 0.000 4.263) 4.263 11.769 ( 0.000 0.000 -1.282) 1.282 12.283 ( 0.000 0.000 -26.001) 26.001 12.874 ( 0.000 0.000 9.369) 9.369 12.988 ( 0.000 0.000 11.065) 11.065 13.147 ( 0.000 0.000 -4.749) 4.749 13.217 ( 0.000 0.000 0.041) 0.041 13.310 ( 0.000 0.000 0.676) 0.676 13.363 ( 0.000 0.000 12.695) 12.695 13.610 ( 0.000 0.000 -10.900) 10.900 13.813 ( 0.000 0.000 -9.069) 9.069 14.120 ( 0.000 0.000 4.942) 4.942 14.148 ( 0.000 0.000 22.667) 22.667 14.430 ( 0.000 0.000 -2.468) 2.468 14.847 ( 0.000 0.000 -7.608) 7.608 14.912 ( 0.000 0.000 -9.178) 9.178 15.274 ( 0.000 0.000 -17.690) 17.690 15.313 ( 0.000 0.000 14.407) 14.407 15.971 ( 0.000 0.000 30.342) 30.342 16.336 ( 0.000 0.000 -29.517) 29.517 16.543 ( 0.000 0.000 32.333) 32.333 17.185 ( 0.000 0.000 -27.140) 27.140 17.755 ( 0.000 0.000 -27.549) 27.549 17.912 ( 0.000 0.000 22.144) 22.144 18.556 ( 0.000 0.000 6.456) 6.456 18.737 ( 0.000 0.000 -14.841) 14.841 18.788 ( 0.000 0.000 -1.332) 1.332 19.001 ( 0.000 0.000 5.167) 5.167 19.199 ( 0.000 0.000 -4.801) 4.801 21.199 ( 0.000 0.000 10.427) 10.427 21.434 ( 0.000 0.000 13.202) 13.202 21.629 ( 0.000 0.000 -10.860) 10.860 21.726 ( 0.000 0.000 -2.630) 2.630 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -5.807 0.000 19.224) 20.082 2.722 ( -1.606 0.000 -4.752) 5.016 2.767 ( 6.131 0.000 18.934) 19.902 3.125 ( 8.193 0.000 -3.411) 8.875 3.184 ( 3.058 0.000 -2.504) 3.952 3.443 ( 4.736 0.000 -14.597) 15.346 3.735 ( -7.755 0.000 1.744) 7.948 3.760 ( -3.760 0.000 0.542) 3.798 3.904 ( -4.678 0.000 -3.821) 6.040 3.987 ( -5.036 0.000 -10.225) 11.398 4.301 ( 5.084 0.000 10.901) 12.028 4.575 ( 0.164 0.000 -4.161) 4.165 6.941 ( 4.905 0.000 17.468) 18.144 7.466 ( -1.678 0.000 12.927) 13.036 7.618 ( 5.500 0.000 -13.150) 14.254 7.688 ( 7.519 0.000 -2.068) 7.798 8.645 ( -0.180 0.000 11.148) 11.149 8.732 ( 10.929 0.000 15.276) 18.783 8.944 ( -2.189 0.000 2.859) 3.601 9.234 ( 4.489 0.000 -11.645) 12.480 9.491 ( -0.601 0.000 0.682) 0.909 9.573 ( 3.838 0.000 33.829) 34.047 9.843 ( 12.724 0.000 -16.267) 20.652 10.155 ( -0.623 0.000 -0.477) 0.785 10.599 ( -2.312 0.000 -17.248) 17.402 10.834 ( 12.943 0.000 -27.072) 30.007 11.223 ( -6.869 0.000 13.398) 15.056 11.689 ( 2.836 0.000 2.931) 4.078 11.742 ( -2.521 0.000 -0.175) 2.527 12.060 ( -19.815 0.000 -25.819) 32.546 12.799 ( -13.917 0.000 11.777) 18.231 12.872 ( 0.149 0.000 10.663) 10.664 13.082 ( -12.973 0.000 2.881) 13.289 13.143 ( -1.987 0.000 4.868) 5.258 13.251 ( -2.085 0.000 -5.182) 5.585 13.353 ( 0.284 0.000 8.902) 8.907 13.598 ( -1.093 0.000 -14.961) 15.001 13.807 ( -3.442 0.000 -10.647) 11.189 14.150 ( 0.170 0.000 -2.535) 2.540 14.340 ( 14.938 0.000 21.007) 25.777 14.444 ( 0.196 0.000 -4.813) 4.817 14.852 ( 1.457 0.000 0.605) 1.578 14.927 ( -3.234 0.000 6.797) 7.528 15.271 ( 3.234 0.000 0.098) 3.235 15.356 ( 10.545 0.000 -15.243) 18.534 16.095 ( -10.246 0.000 -21.243) 23.585 16.250 ( 14.081 0.000 23.460) 27.361 16.608 ( 5.915 0.000 32.317) 32.853 17.394 ( 15.987 0.000 -26.717) 31.135 17.799 ( 4.150 0.000 -23.008) 23.380 17.883 ( -1.863 0.000 18.770) 18.862 18.607 ( -2.448 0.000 -11.468) 11.727 18.784 ( 10.936 0.000 3.259) 11.411 18.910 ( 10.077 0.000 -1.391) 10.173 19.021 ( 1.886 0.000 5.019) 5.362 19.211 ( 1.099 0.000 -4.509) 4.641 21.087 ( -10.506 0.000 8.881) 13.756 21.376 ( -5.382 0.000 12.434) 13.549 21.483 ( -13.409 0.000 -10.436) 16.991 21.669 ( -5.363 0.000 -3.299) 6.296 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -4.842 0.000 13.175) 14.036 2.698 ( -1.368 0.000 -9.905) 9.999 2.936 ( 9.387 0.000 15.006) 17.700 3.152 ( -4.833 0.000 1.192) 4.978 3.269 ( 4.743 0.000 -1.049) 4.857 3.427 ( -8.510 0.000 -9.449) 12.716 3.647 ( 0.580 0.000 -1.111) 1.253 3.751 ( 2.157 0.000 -2.334) 3.178 3.775 ( -7.137 0.000 -4.055) 8.209 3.842 ( -8.426 0.000 -9.591) 12.766 4.445 ( 9.002 0.000 9.645) 13.194 4.605 ( 3.276 0.000 -0.532) 3.319 7.067 ( 6.727 0.000 15.892) 17.257 7.465 ( 2.266 0.000 20.212) 20.339 7.715 ( 2.389 0.000 -14.208) 14.407 7.891 ( 11.100 0.000 -1.864) 11.256 8.628 ( -1.143 0.000 -5.661) 5.775 8.858 ( -6.899 0.000 -8.516) 10.960 9.023 ( 15.306 0.000 17.469) 23.226 9.381 ( 9.458 0.000 -1.434) 9.566 9.502 ( 1.924 0.000 8.904) 9.110 9.714 ( 9.966 0.000 25.917) 27.767 10.073 ( 7.168 0.000 -2.248) 7.512 10.271 ( 12.734 0.000 0.653) 12.751 10.545 ( -2.290 0.000 -12.133) 12.347 11.048 ( -9.306 0.000 0.594) 9.325 11.131 ( 13.937 0.000 -24.314) 28.025 11.546 ( -27.150 0.000 -23.085) 35.637 11.670 ( -4.199 0.000 2.267) 4.772 11.730 ( -0.273 0.000 2.789) 2.802 12.537 ( -9.006 0.000 8.556) 12.423 12.794 ( -12.521 0.000 2.169) 12.708 12.887 ( 0.932 0.000 11.875) 11.912 13.052 ( -4.677 0.000 5.466) 7.193 13.277 ( 2.606 0.000 -3.999) 4.773 13.318 ( -4.559 0.000 7.565) 8.832 13.587 ( 0.928 0.000 -18.525) 18.548 13.687 ( -6.308 0.000 -9.958) 11.788 14.074 ( -6.426 0.000 -10.645) 12.434 14.261 ( -15.886 0.000 -15.957) 22.516 14.528 ( -3.502 0.000 16.555) 16.922 14.890 ( 6.488 0.000 13.605) 15.073 15.096 ( 20.216 0.000 16.854) 26.319 15.436 ( 6.906 0.000 -8.147) 10.680 15.702 ( 20.432 0.000 -13.410) 24.440 15.819 ( -8.559 0.000 -20.261) 21.995 16.699 ( 24.111 0.000 29.002) 37.716 16.758 ( 7.153 0.000 31.942) 32.733 17.729 ( 14.332 0.000 -22.412) 26.602 17.860 ( 2.219 0.000 20.450) 20.570 17.922 ( 4.247 0.000 -25.114) 25.470 18.493 ( -4.490 0.000 -11.173) 12.041 19.079 ( 3.558 0.000 4.588) 5.806 19.118 ( 17.802 0.000 6.436) 18.929 19.134 ( 9.597 0.000 1.858) 9.775 19.244 ( 1.978 0.000 -3.600) 4.108 20.779 ( -18.320 0.000 4.076) 18.768 21.107 ( -21.380 0.000 -10.994) 24.041 21.225 ( -8.523 0.000 9.764) 12.961 21.511 ( -9.466 0.000 -5.092) 10.748 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -0.743 0.000 6.606) 6.648 2.626 ( -6.454 0.000 -13.134) 14.634 3.035 ( -4.004 0.000 1.550) 4.293 3.130 ( 8.560 0.000 10.565) 13.597 3.236 ( -8.339 0.000 -5.713) 10.108 3.363 ( 3.630 0.000 1.444) 3.907 3.625 ( -6.864 0.000 -5.220) 8.624 3.651 ( -0.228 0.000 -0.236) 0.329 3.667 ( -7.229 0.000 -8.268) 10.982 3.759 ( -1.793 0.000 -3.390) 3.835 4.655 ( 9.530 0.000 7.205) 11.947 4.703 ( 5.343 0.000 2.929) 6.094 7.215 ( 7.472 0.000 11.379) 13.613 7.577 ( 8.649 0.000 17.891) 19.872 7.692 ( -4.427 0.000 -11.364) 12.196 8.121 ( 10.193 0.000 -0.335) 10.198 8.590 ( -4.963 0.000 -15.134) 15.927 8.634 ( -11.845 0.000 -15.594) 19.583 9.324 ( 13.418 0.000 21.149) 25.047 9.595 ( 9.694 0.000 9.440) 13.531 9.618 ( 9.491 0.000 21.401) 23.411 9.961 ( 11.741 0.000 14.242) 18.458 10.153 ( 0.632 0.000 18.049) 18.060 10.525 ( 0.545 0.000 -11.547) 11.560 10.593 ( 16.158 0.000 -9.104) 18.546 10.820 ( -14.653 0.000 -8.222) 16.803 11.040 ( -17.057 0.000 -17.691) 24.574 11.338 ( 2.921 0.000 -22.303) 22.494 11.582 ( -2.812 0.000 6.283) 6.884 11.670 ( -3.566 0.000 3.675) 5.121 12.448 ( -0.987 0.000 -0.233) 1.014 12.610 ( -4.985 0.000 -3.293) 5.974 12.887 ( -0.922 0.000 6.563) 6.627 12.981 ( -2.596 0.000 2.875) 3.874 13.179 ( -6.385 0.000 5.624) 8.509 13.338 ( 4.037 0.000 -0.322) 4.050 13.579 ( -5.291 0.000 -12.697) 13.756 13.645 ( 3.245 0.000 -12.608) 13.018 13.871 ( -11.994 0.000 -8.319) 14.596 13.982 ( -8.428 0.000 -12.733) 15.270 14.367 ( -6.561 0.000 9.243) 11.335 14.926 ( -8.658 0.000 -9.259) 12.676 15.543 ( 8.803 0.000 4.760) 10.007 15.559 ( 22.495 0.000 17.640) 28.587 15.829 ( 4.656 0.000 -4.238) 6.296 16.122 ( 17.186 0.000 -9.833) 19.800 16.864 ( 3.693 0.000 26.346) 26.603 17.206 ( 23.649 0.000 23.424) 33.286 17.810 ( -12.633 0.000 -15.558) 20.041 17.941 ( 5.123 0.000 -12.769) 13.758 18.058 ( 14.422 0.000 12.744) 19.245 18.572 ( 11.840 0.000 -7.139) 13.826 19.165 ( 4.522 0.000 3.953) 6.006 19.247 ( 0.539 0.000 11.379) 11.392 19.286 ( 1.801 0.000 -1.745) 2.508 19.454 ( 12.540 0.000 8.988) 15.429 20.366 ( -19.451 0.000 -6.251) 20.431 20.649 ( -21.028 0.000 -15.423) 26.078 21.055 ( -6.758 0.000 4.335) 8.028 21.292 ( -10.958 0.000 -7.129) 13.073 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 5.414 0.000 -1.485) 5.614 2.444 ( -9.504 0.000 -9.016) 13.100 3.017 ( 1.791 0.000 -2.200) 2.837 3.093 ( -5.306 0.000 -4.526) 6.974 3.278 ( 5.721 0.000 6.427) 8.604 3.377 ( -3.117 0.000 4.424) 5.412 3.534 ( -0.607 0.000 -6.912) 6.939 3.564 ( -2.919 0.000 -6.321) 6.962 3.658 ( 1.247 0.000 0.446) 1.324 3.703 ( -2.869 0.000 -1.236) 3.124 4.790 ( 3.245 0.000 5.804) 6.650 4.797 ( 2.731 0.000 5.394) 6.046 7.380 ( 8.329 0.000 4.117) 9.290 7.555 ( -8.028 0.000 -4.304) 9.109 7.828 ( 15.171 0.000 8.574) 17.426 8.164 ( -13.206 0.000 3.632) 13.696 8.417 ( 3.190 0.000 -18.066) 18.346 8.533 ( -4.925 0.000 -12.256) 13.208 9.588 ( 11.288 0.000 22.222) 24.924 9.719 ( 0.430 0.000 19.695) 19.700 9.861 ( 12.415 0.000 24.221) 27.217 10.082 ( -7.595 0.000 22.528) 23.774 10.147 ( 7.262 0.000 -0.848) 7.311 10.374 ( -15.219 0.000 -12.310) 19.574 10.687 ( 5.983 0.000 -9.086) 10.879 10.832 ( -6.970 0.000 -12.679) 14.469 10.918 ( 14.832 0.000 -6.566) 16.220 11.205 ( -12.118 0.000 -7.689) 14.352 11.595 ( 2.184 0.000 0.509) 2.243 11.632 ( -1.018 0.000 -3.453) 3.600 12.454 ( 1.834 0.000 -3.855) 4.269 12.525 ( -4.306 0.000 -5.936) 7.333 12.879 ( 0.712 0.000 0.922) 1.164 12.921 ( -2.945 0.000 -0.154) 2.949 13.168 ( 6.200 0.000 -3.146) 6.952 13.382 ( -12.317 0.000 -13.227) 18.074 13.469 ( 8.085 0.000 4.585) 9.294 13.629 ( -5.564 0.000 1.353) 5.726 13.759 ( 1.001 0.000 -4.381) 4.494 13.839 ( -5.718 0.000 -8.677) 10.392 14.377 ( 8.134 0.000 -7.198) 10.862 14.642 ( -15.256 0.000 -15.203) 21.537 15.757 ( 9.041 0.000 8.763) 12.591 15.872 ( -1.569 0.000 3.729) 4.046 15.993 ( 18.183 0.000 16.614) 24.630 16.263 ( -5.358 0.000 8.381) 9.947 17.048 ( 15.972 0.000 2.960) 16.244 17.448 ( -19.940 0.000 -11.120) 22.831 17.650 ( 17.944 0.000 13.747) 22.604 17.920 ( -7.261 0.000 0.639) 7.289 18.454 ( 20.952 0.000 13.178) 24.752 18.767 ( -2.316 0.000 0.027) 2.316 19.244 ( 6.584 0.000 19.468) 20.551 19.254 ( 3.631 0.000 3.180) 4.827 19.302 ( -0.696 0.000 1.179) 1.369 19.510 ( -9.999 0.000 18.327) 20.877 20.120 ( -0.040 0.000 -23.089) 23.089 20.284 ( -13.243 0.000 -21.516) 25.265 20.984 ( 0.672 0.000 -2.942) 3.018 21.083 ( -8.210 0.000 -7.298) 10.985 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 0.000 7.944 21.400) 22.826 2.609 ( 0.000 -6.295 16.287) 17.461 2.733 ( 0.000 -2.721 0.419) 2.753 3.083 ( 0.000 8.890 -5.533) 10.471 3.196 ( 0.000 4.000 -2.147) 4.540 3.394 ( 0.000 1.275 -15.315) 15.368 3.731 ( 0.000 -9.479 1.155) 9.549 3.754 ( 0.000 -5.521 -0.390) 5.535 3.979 ( 0.000 0.841 -2.992) 3.108 4.028 ( 0.000 -1.675 -9.395) 9.543 4.211 ( 0.000 -2.742 8.318) 8.758 4.513 ( 0.000 -5.984 -6.224) 8.634 6.951 ( 0.000 5.960 13.783) 15.017 7.406 ( 0.000 -4.739 -3.400) 5.833 7.645 ( 0.000 3.896 -0.316) 3.909 7.660 ( 0.000 6.702 -1.663) 6.906 8.598 ( 0.000 -1.091 15.387) 15.426 8.637 ( 0.000 0.466 25.680) 25.684 8.948 ( 0.000 -1.616 3.170) 3.558 9.192 ( 0.000 -1.389 -11.141) 11.227 9.520 ( 0.000 -0.795 31.735) 31.745 9.604 ( 0.000 7.240 -1.987) 7.508 9.700 ( 0.000 4.572 -11.201) 12.098 10.096 ( 0.000 -7.651 -6.273) 9.894 10.709 ( 0.000 6.206 -18.985) 19.974 10.762 ( 0.000 9.003 -28.266) 29.666 11.285 ( 0.000 -2.126 16.693) 16.827 11.659 ( 0.000 0.688 3.947) 4.007 11.729 ( 0.000 -3.121 0.554) 3.169 12.237 ( 0.000 -4.503 -27.400) 27.768 12.932 ( 0.000 3.727 9.606) 10.304 13.076 ( 0.000 -7.401 5.606) 9.285 13.093 ( 0.000 11.488 11.123) 15.990 13.209 ( 0.000 0.374 -0.883) 0.959 13.331 ( 0.000 -4.105 5.409) 6.791 13.449 ( 0.000 12.258 -3.776) 12.826 13.476 ( 0.000 -11.852 -10.756) 16.005 13.662 ( 0.000 -12.522 -2.944) 12.864 14.083 ( 0.000 -1.700 7.211) 7.409 14.232 ( 0.000 4.715 10.017) 11.071 14.448 ( 0.000 3.081 0.826) 3.189 14.859 ( 0.000 -4.212 -15.522) 16.083 14.909 ( 0.000 5.212 -6.491) 8.324 15.360 ( 0.000 2.989 -8.036) 8.574 15.444 ( 0.000 16.176 11.962) 20.118 16.008 ( 0.000 3.480 31.103) 31.297 16.441 ( 0.000 10.485 -29.640) 31.440 16.513 ( 0.000 -2.373 29.057) 29.154 17.232 ( 0.000 4.395 -24.842) 25.228 17.741 ( 0.000 -1.268 -27.123) 27.152 17.882 ( 0.000 -3.014 21.472) 21.682 18.441 ( 0.000 -13.414 9.604) 16.497 18.609 ( 0.000 -12.184 -12.978) 17.801 18.720 ( 0.000 -7.467 -4.371) 8.652 18.903 ( 0.000 -7.443 2.690) 7.914 19.030 ( 0.000 -15.060 -2.010) 15.193 21.308 ( 0.000 9.911 8.935) 13.344 21.485 ( 0.000 4.890 11.761) 12.737 21.681 ( 0.000 4.457 -9.082) 10.117 21.749 ( 0.000 2.173 -3.075) 3.766 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -6.036 4.304 15.785) 17.439 2.693 ( 2.419 -1.158 2.173) 3.452 2.747 ( 4.220 -1.732 11.994) 12.833 3.109 ( 0.414 0.257 -2.321) 2.371 3.281 ( 6.407 7.127 -2.294) 9.854 3.465 ( 5.322 1.992 -13.210) 14.380 3.661 ( -5.694 -7.221 1.171) 9.270 3.690 ( -3.901 -5.862 -0.287) 7.048 3.916 ( -5.483 0.388 -3.598) 6.570 3.982 ( -4.334 -0.995 -9.614) 10.592 4.261 ( 4.196 -3.744 7.993) 9.773 4.508 ( -0.169 -6.262 -4.724) 7.846 7.020 ( 6.201 7.230 13.977) 16.914 7.433 ( 2.253 -2.048 3.923) 4.966 7.707 ( 4.634 7.540 -3.262) 9.432 7.735 ( 7.530 4.412 0.017) 8.727 8.643 ( 1.193 -0.323 11.506) 11.572 8.696 ( 8.609 -2.645 17.396) 19.590 8.918 ( -2.714 -1.980 0.825) 3.459 9.270 ( 6.498 1.084 -9.457) 11.525 9.499 ( -1.520 0.644 15.127) 15.217 9.617 ( 4.886 5.725 18.288) 19.776 9.842 ( 9.404 0.033 -13.571) 16.511 10.160 ( 4.773 -0.053 -1.656) 5.052 10.543 ( -7.160 -1.982 -17.573) 19.079 10.905 ( 5.063 4.622 -18.588) 19.812 11.251 ( -1.431 1.891 6.154) 6.595 11.684 ( 1.211 -0.660 3.141) 3.430 11.706 ( -1.717 -2.509 0.463) 3.075 12.039 ( -17.520 -2.404 -26.409) 31.783 12.762 ( -13.134 -0.883 10.104) 16.594 12.969 ( -9.552 -0.195 5.232) 10.892 13.062 ( -4.500 -5.718 5.332) 9.020 13.100 ( -4.657 9.393 9.266) 13.992 13.304 ( -1.473 -7.398 2.324) 7.893 13.420 ( 0.182 14.069 -4.709) 14.837 13.600 ( 6.098 2.594 -11.530) 13.298 13.770 ( 2.625 -5.785 -8.721) 10.790 14.015 ( -1.026 -8.063 8.358) 11.658 14.330 ( 5.133 -2.155 4.795) 7.348 14.476 ( -0.820 3.379 -4.327) 5.551 14.887 ( 4.482 -5.181 -10.382) 12.439 14.952 ( 5.734 5.866 3.764) 9.025 15.281 ( -9.434 11.243 17.092) 22.529 15.490 ( 11.299 5.303 -13.034) 18.046 16.206 ( -11.968 10.716 -21.522) 26.857 16.255 ( 14.300 0.700 26.517) 30.136 16.620 ( 8.247 1.833 26.759) 28.061 17.428 ( 14.695 3.006 -25.218) 29.341 17.788 ( 4.578 -0.938 -22.296) 22.781 17.866 ( -0.869 -1.596 17.956) 18.048 18.549 ( 1.336 -6.735 -5.362) 8.712 18.585 ( 4.534 -19.486 -0.506) 20.013 18.820 ( 7.897 -9.892 -5.333) 13.736 18.931 ( 3.675 -7.442 5.275) 9.834 19.054 ( 2.670 -13.383 -0.756) 13.668 21.206 ( -9.506 10.770 7.388) 16.153 21.423 ( -5.750 4.643 10.798) 13.085 21.552 ( -12.031 5.909 -9.172) 16.242 21.689 ( -5.470 1.798 -3.134) 6.555 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -4.468 5.340 10.653) 12.726 2.701 ( -0.628 0.410 -9.229) 9.260 2.906 ( 8.997 -2.348 13.638) 16.506 3.086 ( -2.951 -4.046 1.604) 5.258 3.306 ( -4.390 0.024 0.192) 4.395 3.468 ( -4.780 4.370 -6.246) 8.997 3.589 ( -0.367 -5.705 -0.888) 5.785 3.723 ( 5.162 -1.513 -4.442) 6.977 3.775 ( -7.408 -0.452 -4.040) 8.450 3.861 ( -6.635 1.154 -9.722) 11.827 4.379 ( 7.351 -6.073 7.423) 12.084 4.527 ( 2.422 -7.278 -1.349) 7.788 7.184 ( 8.927 10.950 13.599) 19.609 7.500 ( 4.472 3.575 15.155) 16.201 7.801 ( 3.131 7.891 -7.195) 11.128 7.939 ( 11.321 5.332 -0.866) 12.544 8.657 ( -0.591 2.490 -4.212) 4.929 8.852 ( -3.711 0.164 -6.352) 7.359 8.941 ( 13.671 -7.910 18.597) 24.399 9.421 ( 6.574 1.566 -5.015) 8.416 9.488 ( 1.365 0.530 13.098) 13.180 9.798 ( 11.741 6.404 21.124) 25.002 10.024 ( 6.490 -5.072 -5.732) 10.035 10.223 ( 2.094 -1.760 4.876) 5.591 10.532 ( 6.725 -2.612 -14.378) 16.087 10.880 ( -6.555 -6.745 -4.060) 10.245 11.316 ( 5.784 7.747 -18.102) 20.522 11.575 ( -18.804 1.383 -12.489) 22.616 11.639 ( -5.908 -1.346 -3.343) 6.921 11.706 ( -3.597 -2.051 0.017) 4.140 12.503 ( -9.883 -2.998 6.740) 12.332 12.719 ( -11.904 -5.715 1.039) 13.246 12.972 ( -2.394 -1.339 6.958) 7.479 13.062 ( -0.843 10.362 10.702) 14.920 13.283 ( -1.045 -4.502 -0.438) 4.643 13.418 ( -1.449 13.767 -4.231) 14.475 13.646 ( -6.121 3.082 -4.997) 8.482 13.716 ( 1.617 6.633 -12.418) 14.171 13.992 ( -3.579 -7.546 -7.274) 11.076 14.247 ( -16.884 0.163 -15.530) 22.941 14.559 ( 13.680 -5.078 12.559) 19.253 14.909 ( -3.914 10.733 8.956) 14.516 15.205 ( 12.575 -3.697 1.437) 13.186 15.293 ( 14.367 0.546 10.933) 18.062 15.756 ( 8.749 2.895 -12.875) 15.833 15.888 ( -9.239 4.654 -16.861) 19.782 16.664 ( 19.286 0.152 26.616) 32.869 16.864 ( 15.301 7.153 27.544) 32.310 17.710 ( 10.301 -2.055 -21.322) 23.769 17.858 ( 2.277 -0.032 18.543) 18.683 17.950 ( 8.517 3.055 -22.497) 24.248 18.442 ( -5.289 -5.253 -10.349) 12.754 18.762 ( 6.640 -24.537 4.741) 25.858 18.947 ( 2.900 -16.578 -4.935) 17.538 19.103 ( 12.376 -6.490 8.090) 16.147 19.171 ( 8.216 -7.519 2.578) 11.432 20.932 ( -15.966 13.480 2.695) 21.069 21.196 ( -18.667 7.650 -7.887) 21.661 21.280 ( -9.579 5.323 6.268) 12.624 21.531 ( -9.371 1.775 -4.871) 10.709 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -0.570 6.067 5.333) 8.098 2.646 ( -5.438 2.113 -12.264) 13.581 2.996 ( -2.667 -3.387 1.755) 4.655 3.099 ( 7.722 -2.756 9.481) 12.534 3.177 ( -6.543 -4.637 -1.592) 8.176 3.402 ( -1.837 1.626 -0.181) 2.460 3.561 ( -2.824 -4.348 -2.947) 5.964 3.625 ( -6.426 -1.143 -4.917) 8.172 3.745 ( -3.352 4.221 -5.556) 7.741 3.779 ( 0.142 2.263 -3.963) 4.566 4.551 ( 7.853 -9.673 5.844) 13.762 4.604 ( 4.267 -9.248 1.922) 10.364 7.374 ( 8.895 15.230 10.687) 20.622 7.638 ( 9.162 6.500 15.174) 18.879 7.810 ( -2.198 10.926 -6.457) 12.881 8.177 ( 10.582 5.962 -0.667) 12.164 8.619 ( -2.697 1.100 -8.835) 9.302 8.693 ( -12.188 7.909 -18.840) 23.792 9.226 ( 12.707 -9.486 20.187) 25.671 9.507 ( 6.158 -8.604 14.085) 17.617 9.609 ( 5.811 -0.922 10.002) 11.604 10.054 ( 11.024 4.852 15.150) 19.354 10.093 ( 0.999 -4.721 17.258) 17.920 10.307 ( 3.276 -13.205 -11.048) 17.526 10.684 ( -1.257 3.481 -4.678) 5.965 10.774 ( 6.374 -3.243 -12.784) 14.648 11.114 ( -16.007 5.991 -11.735) 20.732 11.442 ( -4.745 6.639 -17.076) 18.926 11.567 ( 0.255 0.284 1.753) 1.794 11.624 ( -1.828 -4.099 1.910) 4.878 12.369 ( -3.616 -7.367 -1.061) 8.275 12.524 ( -6.916 -7.451 -4.567) 11.144 12.975 ( 2.661 3.972 4.250) 6.396 13.036 ( -1.829 8.506 6.265) 10.722 13.211 ( -6.385 2.932 2.271) 7.384 13.373 ( -1.041 1.467 -8.209) 8.404 13.542 ( -1.932 1.610 -1.016) 2.713 13.780 ( 2.573 12.808 -9.079) 15.908 13.882 ( -12.839 3.840 -11.115) 17.411 13.896 ( -8.201 -6.804 -10.442) 14.920 14.664 ( -1.717 23.886 5.687) 24.614 14.974 ( 5.930 -1.068 5.116) 7.905 15.355 ( 2.112 -4.502 -3.158) 5.891 15.583 ( 7.069 -11.441 0.086) 13.449 15.762 ( 10.898 2.744 5.235) 12.398 16.051 ( 9.804 -9.982 -2.970) 14.303 16.989 ( 12.031 9.202 19.331) 24.558 17.252 ( 20.179 4.907 22.207) 30.405 17.797 ( -4.601 -1.975 -15.962) 16.729 17.933 ( 3.534 0.002 4.980) 6.106 18.089 ( 7.705 3.456 -1.464) 8.571 18.485 ( 10.540 -9.441 -6.375) 15.520 18.859 ( 2.238 -24.472 3.668) 24.847 18.950 ( -2.232 -18.847 -0.387) 18.982 19.323 ( 5.756 -5.235 7.929) 11.109 19.366 ( 10.183 -9.253 10.007) 17.014 20.587 ( -15.409 18.123 -5.881) 24.505 20.784 ( -18.833 11.973 -13.561) 26.114 21.102 ( -6.987 4.337 3.131) 8.800 21.316 ( -10.669 2.118 -7.018) 12.945 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 4.897 5.762 -1.326) 7.677 2.486 ( -8.527 4.181 -8.006) 12.421 2.988 ( 1.834 -2.766 -1.086) 3.491 3.058 ( -4.670 -3.406 -2.401) 6.259 3.242 ( 5.820 -3.166 4.897) 8.239 3.346 ( -4.037 -2.700 3.074) 5.748 3.506 ( -1.238 -2.790 -6.395) 7.086 3.524 ( -2.964 -2.702 -5.435) 6.755 3.729 ( 1.048 5.486 -0.504) 5.608 3.760 ( -1.518 4.928 -1.211) 5.297 4.666 ( 2.954 -11.648 5.036) 13.029 4.676 ( 1.942 -11.290 4.248) 12.218 7.549 ( 7.941 16.299 5.104) 18.835 7.701 ( -6.208 14.098 -2.498) 15.606 7.912 ( 15.331 8.651 8.083) 19.371 8.245 ( -11.726 8.207 3.627) 14.766 8.475 ( 1.149 6.018 -17.933) 18.951 8.563 ( -3.895 3.500 -11.055) 12.233 9.462 ( 9.965 -12.079 19.227) 24.797 9.610 ( -2.597 -11.503 13.874) 18.209 9.743 ( 11.855 -10.138 17.290) 23.287 10.011 ( -10.849 -8.129 18.560) 22.984 10.213 ( 4.429 3.235 5.530) 7.789 10.276 ( -2.461 -7.092 -9.088) 11.788 10.729 ( 6.497 4.302 -5.924) 9.789 10.871 ( -7.432 4.212 -9.207) 12.560 11.000 ( 11.069 5.273 -3.359) 12.712 11.240 ( -11.522 2.267 -3.021) 12.125 11.596 ( 2.306 0.792 -1.950) 3.122 11.633 ( -0.244 1.602 -8.099) 8.259 12.337 ( 0.695 -10.436 -5.023) 11.603 12.401 ( -5.022 -9.940 -6.732) 13.013 13.001 ( -0.652 6.989 1.294) 7.137 13.017 ( -1.376 10.062 0.458) 10.166 13.168 ( 5.650 0.783 -4.003) 6.969 13.321 ( -5.838 -3.732 -10.215) 12.344 13.554 ( 2.471 2.066 0.736) 3.304 13.638 ( -6.988 -1.335 -1.876) 7.358 13.796 ( -0.837 10.100 -4.288) 11.005 13.806 ( -2.284 5.178 -6.031) 8.270 14.698 ( 6.054 27.302 -5.107) 28.428 14.888 ( -10.270 21.445 -10.945) 26.176 15.498 ( 9.486 -19.237 9.780) 23.573 15.633 ( -2.249 -20.191 5.470) 21.039 16.034 ( 11.026 -2.559 9.332) 14.670 16.161 ( -0.340 -11.406 3.174) 11.844 17.230 ( 12.626 14.841 5.850) 20.344 17.509 ( -9.751 4.733 -4.626) 11.785 17.691 ( 10.991 4.777 10.375) 15.852 17.914 ( -6.406 -1.180 1.220) 6.627 18.383 ( 18.195 -7.116 12.505) 23.196 18.723 ( -5.315 -4.933 1.599) 7.426 18.772 ( 4.148 -28.194 3.665) 28.732 18.917 ( -2.632 -23.089 0.840) 23.254 19.409 ( 3.502 -4.114 13.537) 14.575 19.471 ( -0.562 -8.331 14.708) 16.913 20.376 ( -2.978 20.383 -16.750) 26.550 20.467 ( -10.632 16.063 -18.545) 26.739 21.025 ( 0.291 3.713 -3.447) 5.075 21.115 ( -7.755 2.844 -7.370) 11.070 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 0.000 -1.030 12.273) 12.316 2.679 ( 0.000 -1.865 -1.009) 2.121 2.776 ( 0.000 11.806 18.374) 21.840 3.236 ( 0.000 4.524 -2.078) 4.978 3.258 ( 0.000 0.812 -1.060) 1.336 3.441 ( 0.000 2.784 -11.797) 12.121 3.516 ( 0.000 -9.758 -0.831) 9.793 3.663 ( 0.000 -1.483 -3.569) 3.865 3.962 ( 0.000 -5.313 -8.557) 10.072 3.966 ( 0.000 -2.234 -3.589) 4.228 4.147 ( 0.000 -3.180 2.782) 4.225 4.369 ( 0.000 -8.141 -6.613) 10.488 7.078 ( 0.000 6.366 5.181) 8.208 7.326 ( 0.000 -3.632 -5.309) 6.433 7.739 ( 0.000 5.199 3.727) 6.397 7.773 ( 0.000 4.640 2.689) 5.363 8.575 ( 0.000 -0.364 16.260) 16.264 8.711 ( 0.000 7.062 22.314) 23.405 8.896 ( 0.000 -4.296 5.027) 6.613 9.107 ( 0.000 -6.523 -5.813) 8.738 9.537 ( 0.000 2.975 28.329) 28.485 9.785 ( 0.000 2.098 -6.759) 7.077 9.798 ( 0.000 10.929 -5.604) 12.282 9.967 ( 0.000 -3.643 0.259) 3.652 10.806 ( 0.000 3.486 -15.774) 16.155 11.012 ( 0.000 15.357 -18.522) 24.060 11.200 ( 0.000 -5.505 3.642) 6.601 11.689 ( 0.000 2.310 3.558) 4.242 11.695 ( 0.000 0.238 3.664) 3.672 12.110 ( 0.000 -9.005 -29.831) 31.161 12.927 ( 0.000 -6.668 4.552) 8.073 12.976 ( 0.000 -0.010 9.409) 9.409 13.107 ( 0.000 -12.187 3.634) 12.717 13.198 ( 0.000 -12.453 -5.083) 13.450 13.263 ( 0.000 0.365 1.089) 1.149 13.338 ( 0.000 -1.433 -1.155) 1.840 13.495 ( 0.000 7.594 4.489) 8.822 13.731 ( 0.000 13.740 -5.645) 14.854 14.098 ( 0.000 2.658 9.279) 9.652 14.256 ( 0.000 -1.377 1.420) 1.978 14.582 ( 0.000 10.063 4.830) 11.162 14.810 ( 0.000 0.324 -16.852) 16.855 14.998 ( 0.000 2.810 -6.164) 6.774 15.336 ( 0.000 -6.357 -2.722) 6.915 15.844 ( 0.000 22.335 12.502) 25.596 16.092 ( 0.000 4.761 28.821) 29.211 16.501 ( 0.000 3.009 22.739) 22.937 16.717 ( 0.000 17.056 -26.526) 31.536 17.327 ( 0.000 4.358 -21.411) 21.850 17.715 ( 0.000 -1.058 -25.404) 25.426 17.805 ( 0.000 -4.489 17.833) 18.389 17.990 ( 0.000 -30.701 8.810) 31.940 18.367 ( 0.000 -12.128 -2.083) 12.305 18.459 ( 0.000 -18.588 -11.251) 21.728 18.769 ( 0.000 -6.186 -1.514) 6.369 18.770 ( 0.000 -9.124 3.101) 9.636 21.521 ( 0.000 10.715 6.032) 12.297 21.605 ( 0.000 6.889 8.083) 10.621 21.757 ( 0.000 2.567 -3.416) 4.273 21.796 ( 0.000 1.987 -4.492) 4.911 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -1.004 2.321 8.674) 9.035 2.692 ( 1.184 -1.002 -2.213) 2.703 2.786 ( 2.197 8.251 17.033) 19.054 3.127 ( -5.005 1.029 -0.938) 5.195 3.357 ( 0.494 -4.577 4.043) 6.127 3.465 ( -2.751 -6.977 -4.078) 8.537 3.527 ( 7.456 2.091 -8.436) 11.451 3.631 ( -1.960 2.264 -5.313) 6.099 3.898 ( -5.792 -2.555 -4.134) 7.561 3.935 ( -2.672 -3.783 -8.980) 10.104 4.180 ( 2.759 -3.846 2.874) 5.537 4.363 ( -0.413 -7.949 -5.403) 9.620 7.175 ( 8.943 7.745 5.777) 13.166 7.401 ( 6.845 -1.394 -2.038) 7.276 7.836 ( 7.106 5.754 5.776) 10.815 7.874 ( 9.665 8.395 2.472) 13.038 8.603 ( 3.743 -2.477 13.690) 14.407 8.700 ( -0.425 2.096 18.979) 19.099 8.885 ( -0.926 -0.826 0.390) 1.301 9.210 ( 8.489 -6.577 -5.234) 11.946 9.533 ( -0.611 3.070 22.109) 22.330 9.778 ( 0.755 5.787 6.829) 8.983 9.839 ( 5.102 2.370 -5.221) 7.675 10.140 ( 12.962 -1.499 -6.768) 14.699 10.609 ( -15.140 8.334 -12.791) 21.501 10.990 ( -4.036 5.132 -5.455) 8.508 11.225 ( 2.640 -5.598 -5.315) 8.158 11.645 ( -4.614 -2.683 3.498) 6.382 11.717 ( 1.281 3.225 -1.731) 3.878 11.961 ( -12.222 -5.510 -27.525) 30.616 12.747 ( -14.822 -1.438 6.316) 16.175 12.901 ( -7.604 -3.639 4.917) 9.759 12.971 ( -9.678 -4.154 1.135) 10.592 13.142 ( 2.448 -6.183 -0.101) 6.651 13.310 ( 2.332 2.896 7.197) 8.101 13.522 ( 9.359 -8.050 -2.719) 12.641 13.640 ( 10.685 5.428 -0.582) 11.999 13.811 ( 5.403 15.084 -9.019) 18.386 13.975 ( -7.697 3.035 9.850) 12.864 14.265 ( -0.180 -4.260 -0.210) 4.269 14.580 ( -4.584 7.579 -6.816) 11.176 14.774 ( -0.825 -2.640 -15.219) 15.468 15.053 ( 8.163 2.448 7.318) 11.233 15.430 ( 7.332 -7.420 0.229) 10.434 15.671 ( -10.196 21.029 13.096) 26.790 16.269 ( 6.158 0.841 16.532) 17.662 16.490 ( -1.112 17.206 -2.705) 17.453 16.711 ( 7.231 8.519 9.417) 14.613 17.469 ( 9.274 -0.605 -21.299) 23.239 17.780 ( 6.512 0.403 -17.655) 18.822 17.831 ( 2.906 -2.307 11.163) 11.763 18.064 ( 6.321 -29.552 7.731) 31.194 18.380 ( 0.294 -12.193 -5.427) 13.349 18.535 ( 5.828 -15.807 -9.847) 19.514 18.775 ( 1.836 -7.875 2.603) 8.495 18.822 ( 5.103 -9.594 2.843) 11.232 21.435 ( -7.918 11.502 4.642) 14.715 21.538 ( -6.219 6.509 7.285) 11.581 21.662 ( -9.647 4.452 -5.977) 12.191 21.723 ( -5.862 1.175 -2.496) 6.478 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -2.618 7.475 5.112) 9.427 2.716 ( 0.785 0.884 -6.807) 6.909 2.888 ( 6.608 1.597 12.060) 13.844 3.031 ( -4.223 -1.413 2.188) 4.961 3.237 ( -8.591 -6.500 4.096) 11.525 3.426 ( -2.695 -9.509 1.959) 10.076 3.571 ( -2.080 3.875 -5.988) 7.430 3.710 ( 2.167 -0.914 -9.349) 9.640 3.763 ( -2.414 0.517 -2.893) 3.803 3.870 ( -3.130 -0.153 -9.835) 10.322 4.251 ( 4.001 -5.960 3.142) 7.836 4.365 ( 0.937 -8.334 -2.612) 8.784 7.425 ( 14.218 12.106 7.241) 20.028 7.588 ( 10.335 4.717 6.023) 12.859 7.970 ( 5.361 8.687 6.398) 12.047 8.126 ( 12.811 13.897 0.984) 18.926 8.692 ( -1.080 -1.538 6.283) 6.558 8.758 ( 10.447 -7.602 14.023) 19.068 8.887 ( 1.975 3.327 -2.636) 4.682 9.380 ( 4.394 -5.544 -3.741) 8.002 9.523 ( 0.869 1.378 9.264) 9.406 9.802 ( 0.762 -8.710 5.339) 10.244 9.977 ( 5.021 4.403 2.775) 7.232 10.316 ( -8.050 9.048 3.213) 12.530 10.436 ( 13.766 -4.194 -10.853) 18.024 10.857 ( -7.094 4.146 -1.845) 8.421 11.272 ( -0.162 -11.298 -4.459) 12.147 11.529 ( -4.810 -7.781 0.705) 9.175 11.696 ( -5.530 5.804 -13.989) 16.123 11.705 ( -8.073 2.987 -13.537) 16.042 12.436 ( -13.535 -3.290 2.891) 14.226 12.599 ( -14.276 -6.477 -1.767) 15.776 12.961 ( 2.906 2.681 5.570) 6.830 13.203 ( 2.936 -0.621 -0.257) 3.011 13.310 ( -2.058 8.396 4.649) 9.815 13.619 ( -6.966 -3.992 -3.771) 8.870 13.734 ( 0.839 15.415 -1.386) 15.499 13.820 ( 0.294 -4.546 -0.855) 4.635 13.993 ( 5.872 15.961 -5.282) 17.808 14.256 ( -7.620 -3.039 -8.820) 12.046 14.451 ( 4.046 1.286 1.897) 4.650 14.861 ( 9.038 -11.353 -11.495) 18.512 15.309 ( 10.834 4.208 12.355) 16.963 15.467 ( -2.548 19.406 14.703) 24.480 15.617 ( 5.985 -14.554 -0.043) 15.736 16.103 ( -13.922 15.086 -16.235) 26.172 16.711 ( 16.032 3.744 16.181) 23.084 16.992 ( 16.925 5.572 19.585) 26.478 17.629 ( 6.475 -7.698 -14.456) 17.611 17.863 ( 2.607 -1.115 13.249) 13.549 18.029 ( 12.890 3.671 -17.087) 21.716 18.218 ( 7.306 -21.448 2.894) 22.843 18.336 ( -4.041 -9.105 -3.678) 10.619 18.629 ( 2.615 -12.732 -7.641) 15.078 18.900 ( 9.781 -13.309 8.256) 18.466 18.973 ( 8.263 -12.068 3.195) 14.970 21.210 ( -12.933 13.594 0.631) 18.773 21.348 ( -13.016 7.212 -0.753) 14.899 21.401 ( -12.451 5.990 -1.425) 13.890 21.563 ( -9.281 0.970 -4.190) 10.229 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -0.077 9.256 2.686) 9.639 2.703 ( -2.878 3.358 -9.696) 10.657 2.931 ( -2.431 -2.792 2.219) 4.316 3.051 ( 5.876 -1.486 9.996) 11.690 3.072 ( -5.885 -5.881 -0.026) 8.320 3.362 ( -3.141 -5.858 3.938) 7.727 3.500 ( -4.274 -1.753 -7.245) 8.593 3.585 ( -6.870 -3.104 -5.227) 9.174 3.825 ( -0.580 4.166 -4.791) 6.375 3.842 ( 2.846 3.731 -4.580) 6.557 4.339 ( 3.960 -10.492 3.211) 11.665 4.398 ( 1.753 -10.624 0.150) 10.769 7.730 ( 13.502 18.858 7.882) 24.496 7.818 ( 12.333 11.309 11.279) 20.180 8.060 ( 3.096 13.457 2.681) 14.067 8.371 ( 10.232 14.697 -0.550) 17.917 8.654 ( -1.972 2.587 -3.457) 4.747 8.876 ( -3.220 4.779 -5.690) 8.098 9.018 ( 9.521 -6.377 8.904) 14.512 9.330 ( -3.355 -8.385 8.095) 12.128 9.527 ( -3.986 -7.093 5.448) 9.791 9.859 ( 3.857 -18.242 -3.755) 19.020 9.981 ( 0.779 -6.971 8.332) 10.891 10.271 ( -4.794 -1.156 2.724) 5.634 10.659 ( 9.675 2.298 -0.739) 9.971 10.851 ( 7.857 7.964 -2.002) 11.365 11.177 ( -7.600 -1.205 1.246) 7.795 11.434 ( -7.039 -6.737 5.010) 10.956 11.564 ( -0.404 1.230 -9.406) 9.495 11.679 ( 1.830 7.137 -17.980) 19.431 12.209 ( -8.034 -7.639 -3.690) 11.684 12.363 ( -8.734 -8.475 -7.672) 14.386 13.028 ( 2.738 3.683 3.447) 5.739 13.241 ( 0.616 2.970 3.308) 4.488 13.255 ( -2.983 5.944 -2.419) 7.076 13.376 ( -10.973 2.043 -5.757) 12.558 13.723 ( -5.589 9.584 -1.498) 11.196 13.793 ( -2.153 1.957 -1.710) 3.374 14.024 ( -3.575 11.131 -6.729) 13.489 14.122 ( 1.770 19.164 -7.518) 20.662 14.720 ( 15.901 -12.129 10.534) 22.603 15.077 ( 9.508 -15.677 -4.729) 18.935 15.305 ( -2.741 28.673 7.288) 29.712 15.623 ( 6.461 -1.609 5.927) 8.914 15.734 ( 4.817 -21.181 2.091) 21.822 15.834 ( -8.874 14.876 -13.630) 22.041 17.052 ( 15.759 -5.038 12.289) 20.609 17.332 ( 13.492 -2.972 9.803) 16.940 17.743 ( 4.205 -1.354 2.197) 4.934 17.951 ( 6.667 -1.067 8.930) 11.195 18.165 ( -6.281 1.948 -5.690) 8.696 18.275 ( 8.315 -4.178 -3.354) 9.892 18.424 ( 8.566 -14.421 3.079) 17.054 18.655 ( -0.189 -11.028 -3.282) 11.507 19.106 ( 8.344 -16.496 9.818) 20.932 19.121 ( 5.311 -14.496 7.364) 17.105 20.936 ( -12.097 16.168 -5.616) 20.959 21.030 ( -14.789 11.853 -9.930) 21.396 21.194 ( -7.823 4.306 0.401) 8.939 21.353 ( -10.169 1.134 -6.774) 12.272 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 3.754 9.000 -0.607) 9.770 2.596 ( -6.177 6.783 -5.214) 10.552 2.921 ( 1.275 -3.925 0.894) 4.223 2.970 ( -3.401 -5.394 1.520) 6.555 3.184 ( 5.923 -2.079 1.281) 6.407 3.290 ( -4.063 -2.703 1.475) 5.098 3.429 ( -1.575 -4.984 -6.266) 8.160 3.460 ( -4.454 -4.141 -5.427) 8.151 3.844 ( 1.788 6.180 -0.529) 6.455 3.869 ( -0.144 6.061 -1.049) 6.152 4.402 ( 1.967 -13.935 3.247) 14.443 4.421 ( 0.186 -13.493 2.282) 13.685 7.943 ( 7.610 21.939 8.175) 24.619 8.046 ( -0.485 20.044 1.705) 20.122 8.161 ( 15.044 16.614 6.414) 23.313 8.468 ( -7.302 14.138 3.517) 16.296 8.630 ( 1.454 8.782 -11.516) 14.556 8.705 ( -6.551 11.903 -12.624) 18.546 9.169 ( 6.471 -16.881 15.031) 23.511 9.317 ( -5.863 -17.299 7.092) 19.594 9.502 ( 8.947 -13.538 10.757) 19.469 9.758 ( -12.001 -15.180 5.760) 20.189 10.094 ( 5.810 -14.164 -0.860) 15.334 10.166 ( -2.584 -10.631 -0.845) 10.973 10.855 ( 6.947 9.189 3.857) 12.149 10.968 ( -3.445 6.021 -0.564) 6.960 11.097 ( 6.493 4.361 4.818) 9.187 11.268 ( -8.029 0.798 4.934) 9.458 11.642 ( 5.585 3.620 -7.746) 10.213 11.715 ( -0.201 5.799 -16.773) 17.749 12.113 ( -0.360 -11.366 -7.345) 13.538 12.200 ( -7.138 -10.050 -9.590) 15.618 13.083 ( 3.181 1.939 -0.377) 3.745 13.160 ( -4.560 2.613 -1.286) 5.411 13.240 ( -1.073 3.271 -5.348) 6.360 13.245 ( -2.379 -2.615 -9.631) 10.259 13.629 ( -1.236 8.909 1.733) 9.160 13.685 ( -5.518 10.283 1.115) 11.723 14.058 ( 4.247 18.018 -1.870) 18.606 14.130 ( -1.830 19.654 -3.908) 20.122 15.021 ( 11.746 -16.671 10.770) 23.063 15.173 ( -2.043 -19.339 6.527) 20.513 15.322 ( 5.697 33.186 -3.764) 33.881 15.503 ( -10.490 25.179 -9.118) 28.761 15.828 ( 3.558 -20.907 0.239) 21.209 15.844 ( 2.408 -15.819 -0.011) 16.001 17.333 ( 10.487 -12.982 4.704) 17.339 17.465 ( -1.191 -17.228 -1.267) 17.316 17.844 ( 6.103 13.129 10.129) 17.669 17.976 ( -5.963 13.167 4.338) 15.091 18.202 ( 10.656 -10.365 9.333) 17.552 18.365 ( -1.899 -6.279 6.664) 9.351 18.565 ( 4.440 -10.480 2.444) 11.641 18.625 ( -1.972 -6.949 -0.522) 7.243 19.196 ( 2.251 -16.119 11.895) 20.159 19.211 ( 1.557 -17.283 11.845) 21.011 20.758 ( -3.957 17.303 -11.968) 21.408 20.791 ( -7.079 15.551 -13.466) 21.755 21.099 ( -0.669 3.071 -4.832) 5.765 21.168 ( -6.818 1.874 -7.742) 10.485 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 0.000 4.272 8.048) 9.112 2.644 ( 0.000 -2.489 3.240) 4.085 3.000 ( 0.000 10.271 11.798) 15.642 3.180 ( 0.000 -8.670 5.868) 10.469 3.241 ( 0.000 0.400 -3.474) 3.497 3.318 ( 0.000 -6.178 -5.617) 8.350 3.619 ( 0.000 10.099 -8.052) 12.916 3.726 ( 0.000 5.615 -3.453) 6.592 3.827 ( 0.000 -7.598 -9.570) 12.220 3.882 ( 0.000 -6.386 -5.624) 8.510 4.128 ( 0.000 2.027 -1.783) 2.700 4.220 ( 0.000 -6.751 -5.504) 8.710 7.184 ( 0.000 4.514 -1.801) 4.860 7.259 ( 0.000 -3.482 -4.961) 6.061 7.821 ( 0.000 2.665 5.244) 5.882 7.833 ( 0.000 1.371 4.770) 4.963 8.619 ( 0.000 5.324 16.699) 17.527 8.766 ( 0.000 -8.556 12.706) 15.318 8.865 ( 0.000 7.514 10.899) 13.238 8.987 ( 0.000 -5.545 -0.578) 5.575 9.624 ( 0.000 5.466 20.107) 20.837 9.733 ( 0.000 -5.395 8.202) 9.817 9.964 ( 0.000 5.055 -4.505) 6.771 9.983 ( 0.000 2.251 -1.049) 2.483 10.869 ( 0.000 4.184 -7.495) 8.583 10.997 ( 0.000 -8.632 5.859) 10.433 11.441 ( 0.000 22.186 -29.534) 36.939 11.724 ( 0.000 1.894 4.828) 5.186 11.726 ( 0.000 0.394 2.292) 2.325 11.858 ( 0.000 -17.160 -28.511) 33.276 12.850 ( 0.000 -0.748 1.569) 1.738 12.906 ( 0.000 -5.654 3.696) 6.755 12.924 ( 0.000 -3.701 -0.715) 3.769 12.979 ( 0.000 -8.228 -6.228) 10.319 13.265 ( 0.000 -0.963 2.049) 2.265 13.268 ( 0.000 -0.259 3.298) 3.309 13.772 ( 0.000 12.530 5.889) 13.844 13.889 ( 0.000 1.242 -0.646) 1.400 14.155 ( 0.000 2.962 7.055) 7.652 14.212 ( 0.000 -2.792 2.337) 3.641 14.821 ( 0.000 14.491 3.802) 14.982 14.884 ( 0.000 6.316 -14.685) 15.985 14.993 ( 0.000 -3.454 -8.279) 8.971 15.120 ( 0.000 -14.761 3.207) 15.106 16.155 ( 0.000 6.736 14.668) 16.141 16.172 ( 0.000 2.776 21.988) 22.162 16.749 ( 0.000 24.462 16.268) 29.378 17.064 ( 0.000 17.354 -19.712) 26.263 17.324 ( 0.000 -7.000 -15.992) 17.457 17.346 ( 0.000 -33.813 11.551) 35.732 17.714 ( 0.000 0.961 -20.862) 20.884 17.739 ( 0.000 -1.716 -1.167) 2.075 18.151 ( 0.000 -9.201 -5.830) 10.892 18.158 ( 0.000 -7.998 2.466) 8.369 18.664 ( 0.000 -2.265 0.666) 2.361 18.675 ( 0.000 -3.124 -1.668) 3.541 21.692 ( 0.000 6.567 3.146) 7.282 21.729 ( 0.000 5.433 3.234) 6.322 21.769 ( 0.000 -1.464 0.539) 1.560 21.801 ( 0.000 -1.746 -1.853) 2.546 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 1.815 4.436 5.591) 7.364 2.666 ( 1.928 -2.268 2.097) 3.642 2.981 ( -1.301 10.009 11.265) 15.125 3.149 ( -3.439 -0.944 5.021) 6.159 3.183 ( -3.881 -5.985 -1.038) 7.208 3.292 ( -2.997 -8.726 -2.713) 9.617 3.665 ( 2.883 8.161 -8.250) 11.958 3.724 ( -0.536 6.103 -5.962) 8.548 3.808 ( -2.734 -6.373 -6.447) 9.469 3.845 ( -1.314 -5.624 -7.433) 9.413 4.146 ( 1.566 1.170 -1.520) 2.477 4.223 ( 0.308 -6.065 -4.733) 7.699 7.299 ( 10.705 4.871 -1.088) 11.811 7.368 ( 10.008 -2.387 -3.681) 10.928 7.942 ( 10.089 4.578 8.204) 13.786 7.980 ( 13.356 1.606 5.702) 14.611 8.603 ( -0.361 2.927 15.577) 15.854 8.688 ( -3.932 -4.065 15.945) 16.918 8.931 ( 3.567 5.678 1.912) 6.973 9.064 ( 6.228 -7.558 -2.559) 10.122 9.612 ( -1.484 4.875 18.099) 18.803 9.717 ( -2.017 -5.653 9.431) 11.179 10.006 ( 5.761 8.256 -0.444) 10.077 10.108 ( 9.019 -2.555 -5.330) 10.783 10.790 ( -7.736 9.460 -7.222) 14.195 10.988 ( -0.550 -9.867 4.718) 10.950 11.241 ( -13.253 13.370 -14.739) 23.909 11.520 ( -13.411 -11.686 -3.680) 18.165 11.797 ( 2.022 3.849 -8.342) 9.407 11.860 ( -2.329 -3.731 -19.466) 19.956 12.734 ( -13.261 1.364 0.931) 13.363 12.808 ( -12.833 -5.535 -1.025) 14.013 12.952 ( 3.991 2.988 4.812) 6.929 13.053 ( 9.844 -5.526 2.140) 11.490 13.254 ( 2.386 -0.718 0.474) 2.536 13.340 ( 6.590 -8.079 -2.338) 10.685 13.886 ( 7.615 12.519 5.035) 15.494 14.008 ( 9.003 1.885 -1.888) 9.390 14.052 ( -8.014 5.236 4.767) 10.695 14.169 ( -3.893 -5.683 -0.103) 6.889 14.774 ( -5.059 11.519 -8.626) 15.254 14.835 ( -4.842 7.365 -14.440) 16.918 15.028 ( 6.507 -3.626 7.641) 10.671 15.176 ( 3.729 -15.830 3.774) 16.695 16.059 ( -5.090 15.846 15.842) 22.977 16.248 ( 3.134 -4.321 15.029) 15.949 16.859 ( 7.963 22.001 12.257) 26.414 16.978 ( -4.469 17.571 -13.579) 22.652 17.332 ( 0.690 -13.898 -12.122) 18.454 17.408 ( 5.394 -30.297 11.047) 32.696 17.817 ( 9.491 2.443 -12.582) 15.949 17.863 ( 10.517 -0.971 -5.312) 11.822 18.186 ( 4.964 -2.464 -2.071) 5.916 18.291 ( 9.371 -10.095 -2.772) 14.050 18.663 ( -0.886 -2.825 -0.327) 2.979 18.681 ( 1.699 -4.551 0.552) 4.889 21.620 ( -6.804 7.068 2.029) 10.018 21.651 ( -7.085 4.453 2.844) 8.838 21.704 ( -7.215 -0.213 -1.498) 7.372 21.717 ( -6.654 -1.974 -1.099) 7.027 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 0.463 6.352 1.278) 6.496 2.709 ( 1.786 -2.350 -1.722) 3.417 2.969 ( -0.371 5.384 7.423) 9.177 3.056 ( -3.543 5.210 1.463) 6.468 3.091 ( -5.504 -7.181 6.766) 11.298 3.228 ( -1.983 -10.349 3.806) 11.204 3.619 ( -5.589 1.723 -7.339) 9.385 3.664 ( -6.790 -2.898 -8.924) 11.582 3.812 ( 4.370 3.334 -5.334) 7.659 3.861 ( 1.389 -1.212 -7.545) 7.767 4.182 ( 1.474 -0.581 -0.505) 1.663 4.231 ( 0.350 -5.148 -2.652) 5.801 7.605 ( 17.883 5.871 0.821) 18.840 7.650 ( 16.278 0.966 -0.162) 16.307 8.153 ( 8.518 10.559 15.356) 20.491 8.326 ( 17.613 -1.612 9.447) 20.051 8.600 ( 0.345 3.620 16.227) 16.630 8.720 ( 7.726 -3.317 5.350) 9.965 8.987 ( 1.835 7.989 -4.190) 9.206 9.199 ( 5.555 -12.103 -7.475) 15.272 9.551 ( -4.393 2.084 10.659) 11.715 9.631 ( -6.403 -6.786 8.640) 12.716 10.104 ( -1.804 7.582 -3.797) 8.670 10.254 ( 0.715 -7.637 -8.972) 11.804 10.648 ( 0.754 17.039 2.956) 17.310 10.982 ( -1.266 -15.523 -0.895) 15.600 11.026 ( -3.038 11.059 2.601) 11.760 11.299 ( -6.596 -14.444 -0.048) 15.879 11.768 ( -5.830 2.847 -16.335) 17.576 11.785 ( -2.276 1.850 -14.146) 14.447 12.408 ( -15.681 1.112 -1.200) 15.767 12.478 ( -15.668 -5.509 -3.198) 16.914 13.080 ( 5.783 8.940 4.710) 11.642 13.236 ( 5.370 -1.003 3.084) 6.273 13.323 ( 2.021 -0.536 -2.545) 3.294 13.462 ( 2.816 -9.996 -2.857) 10.771 13.867 ( -6.184 9.293 3.346) 11.653 14.012 ( 2.188 4.917 -1.245) 5.524 14.104 ( -0.904 -2.508 -1.044) 2.863 14.198 ( 8.003 -1.307 -2.879) 8.605 14.665 ( -2.490 16.720 -4.910) 17.602 14.803 ( 2.846 5.435 -9.667) 11.449 15.199 ( 7.728 -11.044 7.428) 15.391 15.242 ( 2.905 -17.515 4.310) 18.270 15.969 ( -2.999 24.410 11.384) 27.101 16.277 ( -0.531 -3.283 3.797) 5.048 16.846 ( -3.134 12.938 -6.629) 14.871 17.066 ( 3.604 -1.193 -0.997) 3.925 17.415 ( 10.308 -8.039 6.989) 14.823 17.582 ( 11.075 -20.260 14.094) 27.051 18.062 ( 12.623 3.584 -3.451) 13.568 18.104 ( 10.994 -0.314 -7.230) 13.162 18.317 ( 6.857 6.998 -2.742) 10.173 18.488 ( 7.559 -5.292 -3.255) 9.785 18.655 ( 1.251 -7.298 4.795) 8.821 18.738 ( 3.626 -10.897 0.732) 11.507 21.421 ( -11.611 7.287 -0.725) 13.728 21.459 ( -10.610 3.589 0.766) 11.227 21.481 ( -12.583 2.518 -3.497) 13.301 21.550 ( -9.578 -2.589 -3.144) 10.408 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 0.801 8.365 0.220) 8.406 2.735 ( 0.750 -1.656 -4.538) 4.889 2.903 ( -4.552 0.474 2.406) 5.170 2.958 ( -6.010 -4.895 3.353) 8.446 3.081 ( 3.825 4.671 5.636) 8.259 3.216 ( 0.455 -8.234 5.392) 9.852 3.482 ( -7.061 0.146 -8.431) 10.998 3.517 ( -7.080 -3.262 -6.872) 10.392 3.895 ( 2.754 2.769 -4.437) 5.911 3.907 ( 4.268 2.047 -3.797) 6.068 4.195 ( -0.463 -3.332 0.955) 3.497 4.229 ( -0.828 -6.115 -0.441) 6.186 8.003 ( 18.078 8.081 4.195) 20.241 8.023 ( 19.937 6.767 3.180) 21.293 8.309 ( 7.630 13.064 14.918) 21.247 8.581 ( 6.431 -12.680 16.888) 22.076 8.728 ( 10.937 17.465 2.596) 20.770 8.853 ( 0.575 5.001 0.996) 5.132 9.038 ( 3.864 -0.776 -1.992) 4.415 9.203 ( -7.655 -8.814 -2.279) 11.895 9.415 ( -9.630 -0.783 2.169) 9.902 9.534 ( 1.505 -12.847 -3.983) 13.534 9.898 ( -12.797 2.260 -2.609) 13.254 10.087 ( -13.565 -13.510 -9.444) 21.347 10.856 ( 13.835 13.486 11.089) 22.277 11.020 ( 4.588 8.655 4.662) 10.848 11.080 ( 3.774 -7.374 8.464) 11.843 11.236 ( 0.505 -11.880 6.119) 13.373 11.658 ( -2.876 6.216 -14.954) 16.448 11.745 ( -0.566 -1.256 -16.736) 16.793 12.132 ( -10.488 0.639 -8.457) 13.488 12.213 ( -9.720 -6.601 -10.003) 15.431 13.126 ( -1.211 5.933 1.896) 6.345 13.233 ( -4.505 -4.237 0.686) 6.222 13.314 ( -2.703 4.457 -4.395) 6.818 13.406 ( -6.605 -3.168 -6.433) 9.749 13.844 ( 2.342 11.740 3.707) 12.532 14.034 ( 0.795 7.503 -2.768) 8.036 14.120 ( 2.985 -0.229 5.946) 6.657 14.325 ( 3.668 -5.407 -1.245) 6.651 14.724 ( 6.959 16.711 1.267) 18.147 14.918 ( 6.222 5.817 -5.528) 10.154 15.269 ( 1.913 -22.145 3.322) 22.474 15.351 ( 4.672 -18.804 1.536) 19.436 15.953 ( 1.795 31.464 5.251) 31.950 16.240 ( -2.524 14.354 -6.501) 15.959 16.805 ( -1.101 -12.318 0.482) 12.377 17.033 ( -4.946 -23.431 -7.882) 25.211 17.742 ( 18.431 2.460 18.159) 25.991 17.851 ( 14.019 -7.409 14.834) 21.713 18.253 ( 4.438 7.224 -0.722) 8.509 18.324 ( 10.400 6.197 1.553) 12.206 18.459 ( 5.960 6.775 -3.141) 9.554 18.532 ( -2.175 5.155 0.239) 5.600 18.750 ( 5.622 -19.010 8.601) 21.609 18.810 ( 2.705 -16.619 3.585) 17.215 21.174 ( -10.846 7.581 -5.016) 14.152 21.223 ( -11.264 7.854 -7.159) 15.486 21.242 ( -9.212 0.459 -2.497) 9.556 21.338 ( -10.058 -3.170 -6.560) 12.420 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 2.804 8.669 0.758) 9.143 2.727 ( -2.168 5.591 -1.810) 6.264 2.833 ( -1.020 -5.121 2.934) 5.989 2.861 ( -3.134 -5.383 2.468) 6.700 3.182 ( 5.636 2.085 -1.488) 6.191 3.244 ( 1.983 -2.839 0.034) 3.463 3.340 ( -5.722 -2.282 -6.745) 9.135 3.372 ( -6.331 -4.254 -5.471) 9.387 3.968 ( 3.633 6.442 -0.167) 7.397 3.990 ( 2.414 5.842 -0.679) 6.358 4.170 ( -0.951 -8.861 1.704) 9.074 4.192 ( -2.343 -9.379 0.918) 9.711 8.332 ( 12.828 17.415 8.587) 23.272 8.415 ( 11.330 14.071 4.942) 18.729 8.501 ( 12.823 16.019 7.906) 21.989 8.708 ( 3.038 3.495 4.468) 6.435 8.788 ( -1.656 -2.753 3.394) 4.673 8.845 ( -1.168 5.602 1.881) 6.024 8.939 ( -11.715 -4.754 2.600) 12.908 8.984 ( -11.147 -12.859 2.475) 17.197 9.360 ( 6.924 5.317 -1.680) 8.890 9.553 ( -7.272 -2.323 -5.799) 9.587 9.719 ( 1.293 -20.077 -1.489) 20.174 9.843 ( -8.491 -19.697 -6.464) 22.402 11.059 ( 3.910 9.709 8.234) 13.318 11.094 ( 0.596 6.714 8.430) 10.794 11.142 ( 5.294 -0.234 9.793) 11.135 11.238 ( -2.571 -5.045 8.618) 10.312 11.725 ( 8.176 4.907 -12.802) 15.963 11.799 ( 5.172 0.245 -17.146) 17.911 11.954 ( -6.468 -2.259 -11.705) 13.563 12.030 ( -8.852 -7.211 -12.957) 17.269 13.116 ( 2.035 1.866 -2.200) 3.530 13.158 ( -0.637 -2.198 -3.469) 4.156 13.214 ( -5.583 0.955 -5.978) 8.235 13.248 ( -7.492 -1.914 -7.493) 10.767 13.919 ( 4.429 18.820 6.265) 20.324 14.004 ( -3.241 19.875 3.816) 20.496 14.240 ( 6.573 -7.568 5.189) 11.288 14.340 ( -2.307 -7.242 2.233) 7.922 14.884 ( 7.015 12.283 1.989) 14.284 14.979 ( -1.271 9.463 -0.778) 9.580 15.332 ( 3.882 -26.059 -0.811) 26.359 15.391 ( -0.868 -24.180 -1.727) 24.258 16.044 ( 6.352 37.144 -1.673) 37.720 16.170 ( -4.692 33.892 -7.583) 35.046 16.810 ( 2.249 -34.110 -0.046) 34.184 16.906 ( -6.303 -34.432 -4.756) 35.326 18.114 ( 15.385 6.160 15.411) 22.630 18.126 ( 11.486 2.991 11.241) 16.348 18.279 ( -1.954 11.784 7.215) 13.955 18.402 ( -9.110 3.934 8.922) 13.344 18.494 ( 4.891 4.154 2.667) 6.949 18.542 ( 0.637 6.036 -0.222) 6.073 18.825 ( 1.959 -20.883 9.200) 22.904 18.845 ( 0.433 -19.402 8.333) 21.120 21.016 ( -3.508 9.045 -9.336) 13.464 21.040 ( -5.524 9.737 -10.152) 15.112 21.118 ( -2.039 -1.686 -6.851) 7.344 21.162 ( -5.956 -2.950 -8.576) 10.850 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 0.000 0.000 -9.594) 9.594 2.778 ( 0.000 0.000 9.594) 9.594 3.012 ( 0.000 0.000 -20.391) 20.391 3.012 ( 0.000 0.000 20.391) 20.391 3.012 ( 0.000 0.000 -11.579) 11.579 3.012 ( 0.000 0.000 11.579) 11.579 3.838 ( 0.000 0.000 -0.794) 0.794 3.838 ( 0.000 0.000 0.794) 0.794 3.927 ( 0.000 0.000 -1.591) 1.591 3.927 ( 0.000 0.000 1.591) 1.591 4.440 ( 0.000 0.000 -8.407) 8.407 4.440 ( 0.000 0.000 8.407) 8.407 7.242 ( 0.000 0.000 -18.280) 18.280 7.242 ( 0.000 0.000 18.280) 18.280 7.566 ( 0.000 0.000 -2.155) 2.155 7.566 ( 0.000 0.000 2.155) 2.155 8.901 ( 0.000 0.000 -14.523) 14.523 8.901 ( 0.000 0.000 14.523) 14.523 9.017 ( 0.000 0.000 -6.537) 6.537 9.017 ( 0.000 0.000 6.537) 6.537 9.499 ( 0.000 0.000 -0.653) 0.653 9.499 ( 0.000 0.000 0.653) 0.653 10.163 ( 0.000 0.000 -28.019) 28.019 10.163 ( 0.000 0.000 28.019) 28.019 10.196 ( 0.000 0.000 -12.808) 12.808 10.196 ( 0.000 0.000 12.808) 12.808 11.727 ( 0.000 0.000 -3.076) 3.076 11.727 ( 0.000 0.000 3.076) 3.076 11.752 ( 0.000 0.000 -26.517) 26.517 11.752 ( 0.000 0.000 26.517) 26.517 13.029 ( 0.000 0.000 -6.851) 6.851 13.029 ( 0.000 0.000 6.851) 6.851 13.166 ( 0.000 0.000 -6.136) 6.136 13.166 ( 0.000 0.000 6.136) 6.136 13.418 ( 0.000 0.000 -8.496) 8.496 13.418 ( 0.000 0.000 8.496) 8.496 13.583 ( 0.000 0.000 -11.509) 11.509 13.583 ( 0.000 0.000 11.509) 11.509 14.294 ( 0.000 0.000 -11.307) 11.307 14.294 ( 0.000 0.000 11.307) 11.307 14.581 ( 0.000 0.000 -21.125) 21.125 14.581 ( 0.000 0.000 21.125) 21.125 14.945 ( 0.000 0.000 -14.635) 14.635 14.945 ( 0.000 0.000 14.635) 14.635 15.747 ( 0.000 0.000 -26.673) 26.673 15.747 ( 0.000 0.000 26.673) 26.673 16.615 ( 0.000 0.000 -31.112) 31.112 16.615 ( 0.000 0.000 31.112) 31.112 17.172 ( 0.000 0.000 -31.883) 31.883 17.172 ( 0.000 0.000 31.883) 31.883 18.325 ( 0.000 0.000 -20.067) 20.067 18.325 ( 0.000 0.000 20.067) 20.067 18.733 ( 0.000 0.000 -4.411) 4.411 18.733 ( 0.000 0.000 4.411) 4.411 19.102 ( 0.000 0.000 -5.163) 5.163 19.102 ( 0.000 0.000 5.163) 5.163 21.411 ( 0.000 0.000 -11.315) 11.315 21.411 ( 0.000 0.000 11.315) 11.315 21.632 ( 0.000 0.000 -7.336) 7.336 21.632 ( 0.000 0.000 7.336) 7.336 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -7.360 0.000 -5.195) 9.009 2.655 ( -7.360 0.000 5.195) 9.009 3.057 ( 4.155 0.000 -10.829) 11.599 3.057 ( 4.155 0.000 10.829) 11.599 3.171 ( 9.065 0.000 -10.056) 13.539 3.171 ( 9.065 0.000 10.056) 13.539 3.759 ( -5.827 0.000 -0.763) 5.877 3.759 ( -5.827 0.000 0.763) 5.877 3.875 ( -4.827 0.000 -1.536) 5.065 3.875 ( -4.827 0.000 1.536) 5.065 4.472 ( 2.897 0.000 -6.711) 7.310 4.472 ( 2.897 0.000 6.711) 7.310 7.299 ( 4.658 0.000 -18.553) 19.129 7.299 ( 4.658 0.000 18.553) 19.129 7.631 ( 5.854 0.000 -4.841) 7.597 7.631 ( 5.854 0.000 4.841) 7.597 8.886 ( -10.556 0.000 -10.199) 14.678 8.886 ( -10.556 0.000 10.199) 14.678 9.003 ( 9.679 0.000 -12.650) 15.928 9.003 ( 9.679 0.000 12.650) 15.928 9.576 ( 7.119 0.000 -9.401) 11.793 9.576 ( 7.119 0.000 9.401) 11.793 10.170 ( 0.782 0.000 -26.779) 26.791 10.170 ( 0.782 0.000 26.779) 26.791 10.348 ( 12.455 0.000 -19.857) 23.440 10.348 ( 12.455 0.000 19.857) 23.440 11.576 ( -15.533 0.000 -22.460) 27.308 11.576 ( -15.533 0.000 22.460) 27.308 11.731 ( 0.218 0.000 -1.346) 1.363 11.731 ( 0.218 0.000 1.346) 1.363 13.010 ( -12.829 0.000 -8.663) 15.480 13.010 ( -12.829 0.000 8.663) 15.480 13.069 ( 3.304 0.000 -8.986) 9.574 13.069 ( 3.304 0.000 8.986) 9.574 13.342 ( -5.774 0.000 -10.842) 12.283 13.342 ( -5.774 0.000 10.842) 12.283 13.569 ( -1.701 0.000 -12.350) 12.467 13.569 ( -1.701 0.000 12.350) 12.467 14.246 ( -6.635 0.000 -11.084) 12.918 14.246 ( -6.635 0.000 11.084) 12.918 14.735 ( 11.693 0.000 -18.571) 21.945 14.735 ( 11.693 0.000 18.571) 21.945 15.054 ( 11.831 0.000 -15.231) 19.286 15.054 ( 11.831 0.000 15.231) 19.286 15.585 ( -11.196 0.000 -24.602) 27.030 15.585 ( -11.196 0.000 24.602) 27.030 16.837 ( 17.737 0.000 -30.356) 35.158 16.837 ( 17.737 0.000 30.356) 35.158 17.234 ( 5.665 0.000 -31.569) 32.073 17.234 ( 5.665 0.000 31.569) 32.073 18.281 ( -3.557 0.000 -19.350) 19.674 18.281 ( -3.557 0.000 19.350) 19.674 18.871 ( 11.943 0.000 -3.215) 12.368 18.871 ( 11.943 0.000 3.215) 12.368 19.119 ( 1.556 0.000 -4.952) 5.191 19.119 ( 1.556 0.000 4.952) 5.191 21.277 ( -12.565 0.000 -10.516) 16.385 21.277 ( -12.565 0.000 10.516) 16.385 21.568 ( -6.041 0.000 -7.396) 9.550 21.568 ( -6.041 0.000 7.396) 9.550 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -6.119 0.000 -9.773) 11.530 2.516 ( -6.119 0.000 9.773) 11.530 3.173 ( 6.555 0.000 -9.005) 11.139 3.173 ( 6.555 0.000 9.005) 11.139 3.238 ( -3.505 0.000 -7.790) 8.542 3.238 ( -3.505 0.000 7.790) 8.542 3.687 ( -0.349 0.000 -3.520) 3.537 3.687 ( -0.349 0.000 3.520) 3.537 3.739 ( -7.763 0.000 -1.034) 7.832 3.739 ( -7.763 0.000 1.034) 7.832 4.568 ( 6.524 0.000 -3.621) 7.462 4.568 ( 6.524 0.000 3.621) 7.462 7.397 ( 3.966 0.000 -17.544) 17.987 7.397 ( 3.966 0.000 17.544) 17.987 7.785 ( 8.191 0.000 -10.979) 13.698 7.785 ( 8.191 0.000 10.979) 13.698 8.651 ( -10.956 0.000 -8.529) 13.884 8.651 ( -10.956 0.000 8.529) 13.884 9.284 ( 16.154 0.000 -9.210) 18.595 9.284 ( 16.154 0.000 9.210) 18.595 9.780 ( 11.912 0.000 -17.771) 21.394 9.780 ( 11.912 0.000 17.771) 21.394 10.202 ( 2.407 0.000 -22.586) 22.714 10.202 ( 2.407 0.000 22.586) 22.714 10.625 ( 12.541 0.000 -25.385) 28.314 10.625 ( 12.541 0.000 25.385) 28.314 11.181 ( -20.516 0.000 -13.211) 24.402 11.181 ( -20.516 0.000 13.211) 24.402 11.727 ( -0.855 0.000 -2.384) 2.533 11.727 ( -0.855 0.000 2.384) 2.533 12.723 ( -12.965 0.000 -8.516) 15.512 12.723 ( -12.965 0.000 8.516) 15.512 13.101 ( -2.956 0.000 -5.777) 6.489 13.101 ( -2.956 0.000 5.777) 6.489 13.276 ( 2.604 0.000 -10.071) 10.402 13.276 ( 2.604 0.000 10.071) 10.402 13.499 ( -5.370 0.000 -9.988) 11.340 13.499 ( -5.370 0.000 9.988) 11.340 14.028 ( -12.010 0.000 -6.218) 13.524 14.028 ( -12.010 0.000 6.218) 13.524 14.860 ( -4.246 0.000 -15.063) 15.650 14.860 ( -4.246 0.000 15.063) 15.650 15.418 ( 21.219 0.000 -15.843) 26.481 15.418 ( 21.219 0.000 15.843) 26.481 15.486 ( 5.418 0.000 -13.492) 14.540 15.486 ( 5.418 0.000 13.492) 14.540 17.246 ( 19.968 0.000 -26.958) 33.548 17.246 ( 19.968 0.000 26.958) 33.548 17.371 ( 5.625 0.000 -30.721) 31.232 17.371 ( 5.625 0.000 30.721) 31.232 18.222 ( -0.267 0.000 -16.604) 16.606 18.222 ( -0.267 0.000 16.604) 16.606 19.166 ( 2.928 0.000 -4.343) 5.237 19.166 ( 2.928 0.000 4.343) 5.237 19.168 ( 15.083 0.000 -0.610) 15.096 19.168 ( 15.083 0.000 0.610) 15.096 20.909 ( -21.947 0.000 -8.985) 23.715 20.909 ( -21.947 0.000 8.985) 23.715 21.391 ( -10.401 0.000 -7.350) 12.736 21.391 ( -10.401 0.000 7.350) 12.736 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -5.363 0.000 -10.287) 11.601 2.395 ( -5.363 0.000 10.287) 11.601 3.113 ( -6.210 0.000 -5.940) 8.594 3.113 ( -6.210 0.000 5.940) 8.594 3.310 ( 5.978 0.000 -7.224) 9.377 3.310 ( 5.978 0.000 7.224) 9.377 3.575 ( -7.249 0.000 -1.391) 7.381 3.575 ( -7.249 0.000 1.391) 7.381 3.689 ( -0.307 0.000 -3.450) 3.464 3.689 ( -0.307 0.000 3.450) 3.464 4.726 ( 7.659 0.000 -0.779) 7.698 4.726 ( 7.659 0.000 0.779) 7.698 7.452 ( 1.391 0.000 -12.757) 12.832 7.452 ( 1.391 0.000 12.757) 12.832 7.948 ( 6.849 0.000 -18.108) 19.360 7.948 ( 6.849 0.000 18.108) 19.360 8.450 ( -8.007 0.000 -4.134) 9.012 8.450 ( -8.007 0.000 4.134) 9.012 9.623 ( 15.167 0.000 -8.003) 17.149 9.623 ( 15.167 0.000 8.003) 17.149 10.045 ( 12.637 0.000 -20.842) 24.374 10.045 ( 12.637 0.000 20.842) 24.374 10.259 ( 1.712 0.000 -15.433) 15.528 10.259 ( 1.712 0.000 15.433) 15.528 10.789 ( -15.132 0.000 -6.356) 16.412 10.789 ( -15.132 0.000 6.356) 16.412 10.832 ( 6.746 0.000 -26.251) 27.104 10.832 ( 6.746 0.000 26.251) 27.104 11.685 ( -3.018 0.000 -3.214) 4.409 11.685 ( -3.018 0.000 3.214) 4.409 12.516 ( -6.399 0.000 -5.734) 8.592 12.516 ( -6.399 0.000 5.734) 8.592 12.991 ( -5.605 0.000 -2.906) 6.314 12.991 ( -5.605 0.000 2.906) 6.314 13.343 ( -8.808 0.000 -11.054) 14.134 13.343 ( -8.808 0.000 11.054) 14.134 13.415 ( 8.757 0.000 -9.103) 12.632 13.415 ( 8.757 0.000 9.103) 12.632 13.824 ( -6.801 0.000 -3.256) 7.541 13.824 ( -6.801 0.000 3.256) 7.541 14.635 ( -13.558 0.000 -16.676) 21.492 14.635 ( -13.558 0.000 16.676) 21.492 15.704 ( 11.375 0.000 -8.612) 14.268 15.704 ( 11.375 0.000 8.612) 14.268 15.877 ( 21.470 0.000 -14.825) 26.091 15.877 ( 21.470 0.000 14.825) 26.091 17.378 ( -5.628 0.000 -25.485) 26.099 17.378 ( -5.628 0.000 25.485) 26.099 17.626 ( 15.467 0.000 -19.373) 24.790 17.626 ( 15.467 0.000 19.373) 24.790 18.355 ( 13.377 0.000 -14.359) 19.625 18.355 ( 13.377 0.000 14.359) 19.625 19.236 ( 3.616 0.000 -3.277) 4.880 19.236 ( 3.616 0.000 3.277) 4.880 19.454 ( 11.610 0.000 -7.801) 13.987 19.454 ( 11.610 0.000 7.801) 13.987 20.398 ( -25.884 0.000 -9.067) 27.426 20.398 ( -25.884 0.000 9.067) 27.426 21.160 ( -10.895 0.000 -6.318) 12.594 21.160 ( -10.895 0.000 6.318) 12.594 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -2.422 0.000 -4.487) 5.099 2.308 ( -2.422 0.000 4.487) 5.099 3.022 ( -2.263 0.000 -2.369) 3.276 3.022 ( -2.263 0.000 2.369) 3.276 3.402 ( 2.472 0.000 -6.497) 6.952 3.402 ( 2.472 0.000 6.497) 6.952 3.462 ( -3.034 0.000 -4.559) 5.477 3.462 ( -3.034 0.000 4.559) 5.477 3.678 ( -0.467 0.000 -1.359) 1.437 3.678 ( -0.467 0.000 1.359) 1.437 4.848 ( 3.258 0.000 -0.273) 3.269 4.848 ( 3.258 0.000 0.273) 3.269 7.465 ( 0.165 0.000 -4.646) 4.649 7.465 ( 0.165 0.000 4.646) 4.649 8.049 ( 2.487 0.000 -13.678) 13.902 8.049 ( 2.487 0.000 13.678) 13.902 8.333 ( -2.875 0.000 -7.852) 8.362 8.333 ( -2.875 0.000 7.852) 8.362 9.899 ( 11.027 0.000 -6.742) 12.924 9.899 ( 11.027 0.000 6.742) 12.924 10.185 ( -8.291 0.000 -8.007) 11.526 10.185 ( -8.291 0.000 8.007) 11.526 10.259 ( 6.306 0.000 -11.217) 12.868 10.259 ( 6.306 0.000 11.217) 12.868 10.626 ( -1.414 0.000 -5.715) 5.888 10.626 ( -1.414 0.000 5.715) 5.888 10.905 ( 0.919 0.000 -13.653) 13.684 10.905 ( 0.919 0.000 13.653) 13.684 11.627 ( -1.784 0.000 -0.943) 2.018 11.627 ( -1.784 0.000 0.943) 2.018 12.445 ( -1.133 0.000 -2.235) 2.506 12.445 ( -1.133 0.000 2.235) 2.506 12.903 ( -2.366 0.000 -1.400) 2.749 12.903 ( -2.366 0.000 1.400) 2.749 13.189 ( -4.494 0.000 -5.789) 7.329 13.189 ( -4.494 0.000 5.789) 7.329 13.587 ( 5.954 0.000 -5.846) 8.344 13.587 ( 5.954 0.000 5.846) 8.344 13.738 ( -1.873 0.000 -1.986) 2.730 13.738 ( -1.873 0.000 1.986) 2.730 14.390 ( -7.823 0.000 -8.636) 11.652 14.390 ( -7.823 0.000 8.636) 11.652 15.878 ( 4.495 0.000 -3.157) 5.493 15.878 ( 4.495 0.000 3.157) 5.493 16.249 ( 11.676 0.000 -8.636) 14.523 16.249 ( 11.676 0.000 8.636) 14.523 17.210 ( -7.170 0.000 -12.154) 14.112 17.210 ( -7.170 0.000 12.154) 14.112 17.856 ( 5.896 0.000 -7.163) 9.277 17.856 ( 5.896 0.000 7.163) 9.277 18.678 ( 12.857 0.000 -8.856) 15.612 18.678 ( 12.857 0.000 8.856) 15.612 19.301 ( 1.966 0.000 -1.361) 2.391 19.301 ( 1.966 0.000 1.361) 2.391 19.645 ( 7.460 0.000 -20.013) 21.359 19.645 ( 7.460 0.000 20.013) 21.359 19.899 ( -19.394 0.000 -16.701) 25.594 19.899 ( -19.394 0.000 16.701) 25.594 20.982 ( -5.035 0.000 -2.758) 5.741 20.982 ( -5.035 0.000 2.758) 5.741 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 0.000 -4.132 -2.127) 4.647 2.734 ( 0.000 -4.132 2.127) 4.647 2.995 ( 0.000 2.860 -13.760) 14.054 2.995 ( 0.000 2.860 13.760) 14.054 3.131 ( 0.000 7.420 -0.621) 7.446 3.131 ( 0.000 7.420 0.621) 7.446 3.746 ( 0.000 -8.173 -0.446) 8.185 3.746 ( 0.000 -8.173 0.446) 8.185 3.939 ( 0.000 -0.062 -0.280) 0.286 3.939 ( 0.000 -0.062 0.280) 0.286 4.376 ( 0.000 -6.030 -7.911) 9.947 4.376 ( 0.000 -6.030 7.911) 9.947 7.222 ( 0.000 -1.534 -13.279) 13.367 7.222 ( 0.000 -1.534 13.279) 13.367 7.648 ( 0.000 7.202 -0.419) 7.215 7.648 ( 0.000 7.202 0.419) 7.215 8.869 ( 0.000 -2.326 -11.763) 11.991 8.869 ( 0.000 -2.326 11.763) 11.991 9.026 ( 0.000 0.060 -9.897) 9.897 9.026 ( 0.000 0.060 9.897) 9.897 9.563 ( 0.000 6.382 -1.679) 6.599 9.563 ( 0.000 6.382 1.679) 6.599 10.029 ( 0.000 -4.956 -8.899) 10.186 10.029 ( 0.000 -4.956 8.899) 10.186 10.390 ( 0.000 11.292 -2.929) 11.665 10.390 ( 0.000 11.292 2.929) 11.665 11.695 ( 0.000 -4.982 -18.543) 19.201 11.695 ( 0.000 -4.982 18.543) 19.201 11.724 ( 0.000 -0.721 -5.280) 5.329 11.724 ( 0.000 -0.721 5.280) 5.329 13.099 ( 0.000 4.890 -6.908) 8.464 13.099 ( 0.000 4.890 6.908) 8.464 13.215 ( 0.000 -0.400 -3.542) 3.565 13.215 ( 0.000 -0.400 3.542) 3.565 13.346 ( 0.000 0.908 -2.438) 2.602 13.346 ( 0.000 0.908 2.438) 2.602 13.501 ( 0.000 -9.318 -9.363) 13.210 13.501 ( 0.000 -9.318 9.363) 13.210 14.305 ( 0.000 1.885 -13.198) 13.332 14.305 ( 0.000 1.885 13.198) 13.332 14.522 ( 0.000 -3.686 -17.743) 18.122 14.522 ( 0.000 -3.686 17.743) 18.122 15.048 ( 0.000 7.290 -15.949) 17.536 15.048 ( 0.000 7.290 15.949) 17.536 15.885 ( 0.000 13.566 -26.062) 29.381 15.885 ( 0.000 13.566 26.062) 29.381 16.609 ( 0.000 -0.535 -27.246) 27.252 16.609 ( 0.000 -0.535 27.246) 27.252 17.185 ( 0.000 1.510 -27.913) 27.954 17.185 ( 0.000 1.510 27.913) 27.954 18.278 ( 0.000 -4.961 -19.098) 19.731 18.278 ( 0.000 -4.961 19.098) 19.731 18.607 ( 0.000 -13.350 -7.004) 15.076 18.607 ( 0.000 -13.350 7.004) 15.076 18.979 ( 0.000 -10.430 -3.551) 11.018 18.979 ( 0.000 -10.430 3.551) 11.018 21.492 ( 0.000 7.272 -9.885) 12.272 21.492 ( 0.000 7.272 9.885) 12.272 21.661 ( 0.000 2.806 -6.591) 7.163 21.661 ( 0.000 2.806 6.591) 7.163 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -5.885 -0.618 -3.804) 7.035 2.650 ( -5.885 -0.618 3.804) 7.035 3.020 ( 2.718 -1.030 -10.195) 10.601 3.020 ( 2.718 -1.030 10.195) 10.601 3.267 ( 8.650 7.371 -4.550) 12.242 3.267 ( 8.650 7.371 4.550) 12.242 3.678 ( -5.064 -7.674 -0.779) 9.227 3.678 ( -5.064 -7.674 0.779) 9.227 3.882 ( -5.183 -0.136 -0.956) 5.272 3.882 ( -5.183 -0.136 0.956) 5.272 4.402 ( 2.406 -6.509 -6.332) 9.394 4.402 ( 2.406 -6.509 6.332) 9.394 7.295 ( 6.472 -0.105 -13.353) 14.839 7.295 ( 6.472 -0.105 13.353) 14.839 7.723 ( 6.361 8.389 -1.893) 10.697 7.723 ( 6.361 8.389 1.893) 10.697 8.844 ( -5.053 -2.803 -7.656) 9.591 8.844 ( -5.053 -2.803 7.656) 9.591 9.037 ( 4.946 1.726 -15.214) 16.091 9.037 ( 4.946 1.726 15.214) 16.091 9.630 ( 5.693 5.331 -7.796) 11.027 9.630 ( 5.693 5.331 7.796) 11.027 10.075 ( 4.156 -5.740 -17.987) 19.333 10.075 ( 4.156 -5.740 17.987) 19.333 10.460 ( 5.965 7.963 -19.425) 21.825 10.460 ( 5.965 7.963 19.425) 21.825 11.551 ( -12.686 -2.379 -21.289) 24.896 11.551 ( -12.686 -2.379 21.289) 24.896 11.718 ( -0.455 -1.402 -0.887) 1.720 11.718 ( -0.455 -1.402 0.887) 1.720 12.939 ( -12.564 -2.876 -6.979) 14.658 12.939 ( -12.564 -2.876 6.979) 14.658 13.214 ( -2.906 -8.053 -9.602) 12.864 13.214 ( -2.906 -8.053 9.602) 12.864 13.287 ( -0.499 14.840 -9.013) 17.370 13.287 ( -0.499 14.840 9.013) 17.370 13.580 ( 2.985 -1.697 -8.166) 8.859 13.580 ( 2.985 -1.697 8.166) 8.859 14.229 ( -7.474 -0.800 -13.798) 15.712 14.229 ( -7.474 -0.800 13.798) 15.712 14.600 ( 7.750 -8.750 -16.187) 19.966 14.600 ( 7.750 -8.750 16.187) 19.966 15.196 ( 13.054 8.846 -15.877) 22.377 15.196 ( 13.054 8.846 15.877) 22.377 15.708 ( -12.553 12.373 -24.544) 30.217 15.708 ( -12.553 12.373 24.544) 30.217 16.820 ( 16.036 -1.565 -25.001) 29.743 16.820 ( 16.036 -1.565 25.001) 29.743 17.264 ( 7.571 3.118 -25.446) 26.731 17.264 ( 7.571 3.118 25.446) 26.731 18.245 ( -2.789 -3.793 -18.300) 18.896 18.245 ( -2.789 -3.793 18.300) 18.896 18.707 ( 7.984 -16.436 -6.261) 19.315 18.707 ( 7.984 -16.436 6.261) 19.315 19.019 ( 4.440 -8.574 -3.151) 10.157 19.019 ( 4.440 -8.574 3.151) 10.157 21.367 ( -11.621 8.135 -9.048) 16.825 21.367 ( -11.621 8.135 9.048) 16.825 21.597 ( -6.073 2.750 -6.606) 9.385 21.597 ( -6.073 2.750 6.606) 9.385 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -5.180 1.797 -8.576) 10.179 2.533 ( -5.180 1.797 8.576) 10.179 3.086 ( 2.485 -4.489 -4.496) 6.822 3.086 ( 2.485 -4.489 4.496) 6.822 3.337 ( -2.303 5.549 -5.152) 7.915 3.337 ( -2.303 5.549 5.152) 7.915 3.634 ( 0.926 -4.783 -3.976) 6.288 3.634 ( 0.926 -4.783 3.976) 6.288 3.748 ( -6.438 0.384 -1.857) 6.712 3.748 ( -6.438 0.384 1.857) 6.712 4.481 ( 5.401 -8.000 -3.516) 10.273 4.481 ( 5.401 -8.000 3.516) 10.273 7.455 ( 7.764 5.140 -13.310) 16.243 7.455 ( 7.764 5.140 13.310) 16.243 7.873 ( 7.420 9.019 -7.521) 13.891 7.873 ( 7.420 9.019 7.521) 13.891 8.681 ( -8.968 3.081 -7.452) 12.060 8.681 ( -8.968 3.081 7.452) 12.060 9.249 ( 13.630 -3.853 -12.635) 18.980 9.249 ( 13.630 -3.853 12.635) 18.980 9.768 ( 7.009 -1.317 -15.294) 16.875 9.768 ( 7.009 -1.317 15.294) 16.875 10.201 ( 7.674 -0.673 -18.851) 20.364 10.201 ( 7.674 -0.673 18.851) 20.364 10.583 ( 4.231 -1.858 -23.439) 23.890 10.583 ( 4.231 -1.858 23.439) 23.890 11.255 ( -13.326 5.905 -11.036) 18.283 11.255 ( -13.326 5.905 11.036) 18.283 11.694 ( -2.029 -3.506 -2.473) 4.746 11.694 ( -2.029 -3.506 2.473) 4.746 12.653 ( -13.428 -6.007 -7.063) 16.319 12.653 ( -13.428 -6.007 7.063) 16.319 13.136 ( -3.744 -3.145 -8.296) 9.629 13.136 ( -3.744 -3.145 8.296) 9.629 13.300 ( 0.471 10.118 -8.893) 13.479 13.300 ( 0.471 10.118 8.893) 13.479 13.600 ( -0.251 7.906 -1.569) 8.065 13.600 ( -0.251 7.906 1.569) 8.065 13.995 ( -12.910 -2.026 -8.393) 15.531 13.995 ( -12.910 -2.026 8.393) 15.531 14.831 ( 10.612 -7.259 -13.289) 18.490 14.831 ( 10.612 -7.259 13.289) 18.490 15.372 ( -2.803 7.265 -14.838) 16.757 15.372 ( -2.803 7.265 14.838) 16.757 15.627 ( 12.500 5.262 -11.455) 17.752 15.627 ( 12.500 5.262 11.455) 17.752 17.158 ( 14.659 -5.745 -18.506) 24.297 17.158 ( 14.659 -5.745 18.506) 24.297 17.486 ( 12.565 8.525 -19.613) 24.803 17.486 ( 12.565 8.525 19.613) 24.803 18.192 ( -0.884 -2.998 -15.327) 15.643 18.192 ( -0.884 -2.998 15.327) 15.643 18.854 ( 5.046 -21.604 -4.734) 22.685 18.854 ( 5.046 -21.604 4.734) 22.685 19.190 ( 11.463 -5.601 -1.233) 12.818 19.190 ( 11.463 -5.601 1.233) 12.818 21.031 ( -19.792 10.847 -7.292) 23.718 21.031 ( -19.792 10.847 7.292) 23.718 21.420 ( -10.392 2.656 -6.619) 12.604 21.420 ( -10.392 2.656 6.619) 12.604 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -4.297 3.890 -9.229) 10.898 2.433 ( -4.297 3.890 9.229) 10.898 3.070 ( -3.628 -3.629 -5.043) 7.195 3.070 ( -3.628 -3.629 5.043) 7.195 3.314 ( 1.423 -0.180 -8.403) 8.525 3.314 ( 1.423 -0.180 8.403) 8.525 3.553 ( -6.845 -2.356 -2.105) 7.539 3.553 ( -6.845 -2.356 2.105) 7.539 3.717 ( 1.340 2.729 -2.051) 3.667 3.717 ( 1.340 2.729 2.051) 3.667 4.613 ( 6.436 -10.479 -1.059) 12.343 4.613 ( 6.436 -10.479 1.059) 12.343 7.584 ( 4.253 12.443 -10.728) 16.971 7.584 ( 4.253 12.443 10.729) 16.971 8.023 ( 6.657 7.824 -16.420) 19.369 8.023 ( 6.657 7.824 16.420) 19.369 8.501 ( -7.713 5.456 -1.139) 9.516 8.501 ( -7.713 5.456 1.139) 9.516 9.529 ( 11.688 -9.187 -9.509) 17.648 9.529 ( 11.688 -9.187 9.509) 17.648 9.923 ( 7.687 -10.265 -18.365) 22.400 9.923 ( 7.687 -10.265 18.365) 22.400 10.323 ( 1.076 0.444 -7.864) 7.950 10.323 ( 1.076 0.444 7.864) 7.950 10.634 ( 3.134 -1.238 -1.353) 3.631 10.634 ( 3.134 -1.238 1.353) 3.631 11.068 ( -4.518 12.514 -12.108) 17.989 11.068 ( -4.518 12.514 12.108) 17.989 11.637 ( -3.018 -4.732 -2.721) 6.237 11.637 ( -3.018 -4.732 2.721) 6.237 12.422 ( -8.193 -8.651 -5.337) 13.056 12.422 ( -8.193 -8.651 5.337) 13.056 13.063 ( -3.090 5.152 -3.624) 7.016 13.063 ( -3.090 5.152 3.624) 7.016 13.268 ( -4.150 -1.067 -2.955) 5.205 13.268 ( -4.150 -1.067 2.955) 5.205 13.599 ( 0.644 12.892 -7.547) 14.953 13.599 ( 0.644 12.892 7.547) 14.953 13.783 ( -5.950 -1.143 -1.441) 6.228 13.783 ( -5.950 -1.143 1.441) 6.228 14.854 ( -7.089 18.299 -11.989) 22.996 14.854 ( -7.089 18.299 11.989) 22.996 15.451 ( 10.687 -16.256 -9.382) 21.599 15.451 ( 10.687 -16.256 9.382) 21.599 15.940 ( 13.965 -1.637 -8.435) 16.396 15.940 ( 13.965 -1.637 8.435) 16.396 17.371 ( 4.401 -0.835 -17.424) 17.990 17.371 ( 4.401 -0.835 17.424) 17.990 17.719 ( 9.037 9.139 -15.529) 20.158 17.719 ( 9.037 9.139 15.529) 20.158 18.295 ( 11.767 -6.348 -12.548) 18.336 18.295 ( 11.767 -6.348 12.548) 18.336 18.921 ( 1.372 -22.862 -2.520) 23.042 18.921 ( 1.372 -22.862 2.520) 23.042 19.437 ( 10.926 -6.702 -2.401) 13.041 19.437 ( 10.926 -6.702 2.401) 13.041 20.585 ( -21.553 15.965 -5.871) 27.457 20.585 ( -21.553 15.965 5.871) 27.457 21.190 ( -10.756 2.724 -5.744) 12.495 21.190 ( -10.756 2.724 5.744) 12.495 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -1.918 5.611 -4.063) 7.188 2.364 ( -1.918 5.611 4.063) 7.188 3.003 ( -1.894 -1.861 -2.346) 3.543 3.003 ( -1.894 -1.861 2.346) 3.543 3.359 ( 2.302 -4.262 -5.783) 7.544 3.359 ( 2.302 -4.262 5.783) 7.544 3.432 ( -4.262 -2.241 -3.229) 5.797 3.432 ( -4.262 -2.241 3.229) 5.797 3.739 ( 0.623 5.135 -1.028) 5.273 3.739 ( 0.623 5.135 1.028) 5.273 4.716 ( 2.757 -12.313 -0.236) 12.620 4.716 ( 2.757 -12.313 0.236) 12.620 7.637 ( 1.084 16.671 -3.982) 17.174 7.637 ( 1.084 16.671 3.982) 17.174 8.127 ( 2.734 7.967 -13.749) 16.124 8.127 ( 2.734 7.967 13.749) 16.124 8.384 ( -3.036 5.432 -7.161) 9.487 8.384 ( -3.036 5.432 7.161) 9.487 9.716 ( 5.911 -16.049 -4.804) 17.765 9.716 ( 5.911 -16.049 4.804) 17.765 10.005 ( -1.168 -13.853 -10.211) 17.249 10.005 ( -1.168 -13.853 10.211) 17.249 10.319 ( 1.781 -0.885 -1.234) 2.341 10.319 ( 1.781 -0.885 1.234) 2.341 10.701 ( 0.956 8.490 -5.331) 10.071 10.701 ( 0.956 8.490 5.331) 10.071 11.034 ( 0.529 11.074 -10.521) 15.284 11.034 ( 0.529 11.074 10.521) 15.284 11.586 ( -1.581 -3.682 -0.952) 4.119 11.586 ( -1.581 -3.682 0.952) 4.119 12.313 ( -2.460 -11.333 -2.115) 11.788 12.313 ( -2.460 -11.333 2.115) 11.788 13.015 ( -1.286 8.568 -0.761) 8.698 13.015 ( -1.286 8.568 0.761) 8.697 13.169 ( -3.430 -1.472 -4.548) 5.884 13.169 ( -3.430 -1.472 4.548) 5.884 13.612 ( 0.173 -2.537 -3.271) 4.143 13.612 ( 0.173 -2.537 3.271) 4.143 13.741 ( 0.414 10.621 -0.564) 10.644 13.741 ( 0.414 10.621 0.564) 10.644 14.705 ( -4.719 27.047 -5.899) 28.082 14.705 ( -4.719 27.047 5.899) 28.082 15.647 ( 5.636 -20.074 -4.129) 21.255 15.647 ( 5.636 -20.074 4.129) 21.255 16.157 ( 5.941 -10.685 -3.325) 12.670 16.157 ( 5.941 -10.685 3.325) 12.670 17.370 ( -1.902 12.983 -7.958) 15.347 17.370 ( -1.902 12.983 7.958) 15.347 17.866 ( 4.222 0.969 -6.129) 7.505 17.866 ( 4.222 0.969 6.129) 7.505 18.607 ( 14.746 -8.593 -9.782) 19.671 18.607 ( 14.746 -8.593 9.782) 19.671 18.885 ( -5.470 -24.868 -4.224) 25.810 18.885 ( -5.470 -24.868 4.224) 25.810 19.613 ( 5.227 -9.685 -3.494) 11.547 19.613 ( 5.227 -9.685 3.494) 11.547 20.212 ( -11.532 23.943 -3.845) 26.852 20.212 ( -11.532 23.943 3.845) 26.852 21.015 ( -4.905 2.972 -2.506) 6.259 21.015 ( -4.905 2.972 2.506) 6.259 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.000 -1.837 -2.259) 2.912 2.665 ( 0.000 -1.837 2.259) 2.912 3.094 ( 0.000 6.228 -13.344) 14.726 3.094 ( 0.000 6.228 13.344) 14.726 3.266 ( 0.000 4.079 -3.546) 5.405 3.266 ( 0.000 4.079 3.546) 5.405 3.572 ( 0.000 -6.744 -5.181) 8.504 3.572 ( 0.000 -6.744 5.181) 8.504 3.902 ( 0.000 -4.025 -1.568) 4.319 3.902 ( 0.000 -4.025 1.568) 4.319 4.241 ( 0.000 -6.980 -6.213) 9.345 4.241 ( 0.000 -6.980 6.213) 9.345 7.197 ( 0.000 -1.003 -6.918) 6.991 7.197 ( 0.000 -1.003 6.918) 6.991 7.791 ( 0.000 6.540 -1.217) 6.653 7.791 ( 0.000 6.540 1.217) 6.653 8.837 ( 0.000 -0.651 -10.097) 10.118 8.837 ( 0.000 -0.651 10.097) 10.118 9.004 ( 0.000 -2.295 -6.688) 7.070 9.004 ( 0.000 -2.295 6.688) 7.070 9.721 ( 0.000 8.947 -0.301) 8.952 9.721 ( 0.000 8.947 0.301) 8.952 9.983 ( 0.000 -0.562 -7.227) 7.249 9.983 ( 0.000 -0.562 7.227) 7.249 10.623 ( 0.000 13.338 -5.660) 14.489 10.623 ( 0.000 13.338 5.660) 14.489 11.544 ( 0.000 -10.409 -24.356) 26.487 11.544 ( 0.000 -10.409 24.356) 26.487 11.734 ( 0.000 1.667 -0.810) 1.853 11.734 ( 0.000 1.667 0.810) 1.853 13.046 ( 0.000 -10.756 -7.591) 13.165 13.046 ( 0.000 -10.756 7.591) 13.165 13.125 ( 0.000 -6.058 -4.068) 7.297 13.125 ( 0.000 -6.058 4.068) 7.297 13.297 ( 0.000 -5.427 -3.854) 6.657 13.297 ( 0.000 -5.427 3.854) 6.657 13.586 ( 0.000 15.722 -7.102) 17.252 13.586 ( 0.000 15.722 7.102) 17.252 14.352 ( 0.000 1.364 -8.990) 9.093 14.352 ( 0.000 1.364 8.991) 9.093 14.505 ( 0.000 3.584 -8.540) 9.261 14.505 ( 0.000 3.584 8.540) 9.261 15.142 ( 0.000 1.419 -13.462) 13.537 15.142 ( 0.000 1.419 13.462) 13.537 16.219 ( 0.000 18.161 -22.994) 29.301 16.219 ( 0.000 18.161 22.994) 29.301 16.613 ( 0.000 2.696 -19.118) 19.308 16.613 ( 0.000 2.696 19.118) 19.308 17.234 ( 0.000 3.419 -19.572) 19.868 17.234 ( 0.000 3.419 19.572) 19.868 18.074 ( 0.000 -19.995 -5.982) 20.871 18.074 ( 0.000 -19.995 5.982) 20.871 18.295 ( 0.000 -12.589 -2.333) 12.804 18.295 ( 0.000 -12.589 2.333) 12.804 18.784 ( 0.000 -8.608 -1.137) 8.683 18.784 ( 0.000 -8.608 1.137) 8.683 21.644 ( 0.000 7.297 -6.550) 9.805 21.644 ( 0.000 7.297 6.550) 9.805 21.726 ( 0.000 3.329 -4.468) 5.571 21.726 ( 0.000 3.329 4.468) 5.571 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -2.165 0.339 -3.816) 4.401 2.641 ( -2.165 0.339 3.816) 4.401 3.051 ( -1.717 3.681 -8.941) 9.821 3.051 ( -1.717 3.681 8.941) 9.821 3.395 ( 8.747 1.096 -2.578) 9.185 3.395 ( 8.747 1.096 2.578) 9.185 3.511 ( -5.136 -4.336 -6.648) 9.454 3.511 ( -5.136 -4.336 6.648) 9.454 3.850 ( -4.611 -3.300 -0.697) 5.713 3.850 ( -4.611 -3.300 0.697) 5.713 4.259 ( 1.664 -7.225 -4.998) 8.942 4.259 ( 1.664 -7.225 4.998) 8.942 7.298 ( 9.388 0.374 -6.673) 11.524 7.298 ( 9.388 0.374 6.673) 11.524 7.903 ( 9.481 8.941 -0.685) 13.050 7.903 ( 9.481 8.941 0.685) 13.050 8.810 ( -1.875 -0.357 -7.667) 7.901 8.810 ( -1.875 -0.357 7.667) 7.901 9.032 ( 2.532 -2.499 -13.708) 14.162 9.032 ( 2.532 -2.499 13.708) 14.162 9.758 ( 1.355 6.734 -4.764) 8.359 9.758 ( 1.355 6.734 4.764) 8.359 10.009 ( 4.138 -0.851 -9.998) 10.854 10.009 ( 4.138 -0.851 9.998) 10.854 10.627 ( 0.117 9.856 -18.154) 20.657 10.627 ( 0.117 9.856 18.154) 20.657 11.463 ( -6.778 -7.833 -21.281) 23.668 11.463 ( -6.778 -7.833 21.281) 23.668 11.697 ( -3.180 0.089 -1.328) 3.448 11.697 ( -3.180 0.089 1.328) 3.448 12.865 ( -14.836 -5.761 -5.688) 16.901 12.865 ( -14.836 -5.761 5.688) 16.901 13.073 ( -1.096 -3.798 -6.488) 7.597 13.073 ( -1.096 -3.798 6.488) 7.597 13.447 ( 7.709 -8.619 -5.858) 12.962 13.447 ( 7.709 -8.619 5.858) 12.962 13.655 ( 5.163 17.713 -5.072) 19.134 13.655 ( 5.163 17.713 5.072) 19.134 14.240 ( -8.167 1.034 -13.086) 15.460 14.240 ( -8.167 1.034 13.086) 15.460 14.498 ( 0.102 0.135 -10.297) 10.298 14.498 ( 0.102 0.135 10.297) 10.298 15.282 ( 11.552 -0.943 -12.167) 16.804 15.282 ( 11.552 -0.943 12.167) 16.804 16.030 ( -13.046 18.978 -21.147) 31.266 16.030 ( -13.046 18.978 21.147) 31.266 16.797 ( 12.408 0.100 -17.760) 21.665 16.797 ( 12.408 0.100 17.760) 21.665 17.348 ( 10.754 4.983 -17.626) 21.241 17.348 ( 10.754 4.983 17.626) 21.241 18.088 ( 0.886 -16.227 -9.087) 18.619 18.088 ( 0.886 -16.227 9.087) 18.619 18.351 ( 4.584 -13.681 -7.202) 16.126 18.351 ( 4.584 -13.681 7.202) 16.126 18.833 ( 4.998 -9.889 -1.783) 11.223 18.833 ( 4.998 -9.889 1.783) 11.223 21.538 ( -9.836 8.284 -5.776) 14.098 21.538 ( -9.836 8.284 5.776) 14.098 21.658 ( -6.321 3.066 -4.444) 8.313 21.658 ( -6.321 3.066 4.444) 8.313 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -2.725 3.640 -6.162) 7.658 2.586 ( -2.725 3.640 6.162) 7.658 3.033 ( -0.661 -0.918 -3.338) 3.525 3.033 ( -0.661 -0.918 3.338) 3.525 3.385 ( -5.737 -2.200 -9.413) 11.241 3.385 ( -5.737 -2.200 9.413) 11.241 3.538 ( 2.322 -3.604 -6.885) 8.111 3.538 ( 2.322 -3.604 6.885) 8.111 3.754 ( -2.361 0.777 -2.306) 3.390 3.754 ( -2.361 0.777 2.306) 3.390 4.310 ( 3.217 -8.387 -2.977) 9.463 4.310 ( 3.217 -8.387 2.977) 9.463 7.558 ( 14.516 4.850 -5.879) 16.395 7.558 ( 14.516 4.850 5.879) 16.395 8.111 ( 8.833 14.308 -4.140) 17.317 8.111 ( 8.833 14.308 4.140) 17.317 8.763 ( -3.239 4.796 -6.837) 8.957 8.763 ( -3.239 4.796 6.837) 8.957 9.131 ( 7.517 -8.053 -17.784) 20.920 9.131 ( 7.517 -8.053 17.784) 20.920 9.728 ( -3.154 -2.432 -9.155) 9.984 9.728 ( -3.154 -2.432 9.155) 9.984 10.157 ( 6.710 -3.626 -12.350) 14.516 10.157 ( 6.710 -3.626 12.350) 14.516 10.636 ( 2.330 7.618 -19.367) 20.942 10.636 ( 2.330 7.618 19.367) 20.942 11.333 ( -4.291 -0.211 -12.387) 13.110 11.333 ( -4.291 -0.211 12.387) 13.110 11.608 ( -5.092 -3.638 -3.056) 6.964 11.608 ( -5.092 -3.638 3.056) 6.964 12.522 ( -16.423 -6.864 -5.250) 18.558 12.522 ( -16.423 -6.864 5.250) 18.558 13.093 ( 2.219 0.996 -7.465) 7.851 13.093 ( 2.219 0.996 7.465) 7.851 13.472 ( -4.968 1.617 -9.273) 10.644 13.472 ( -4.968 1.617 9.273) 10.644 13.779 ( 5.022 10.270 -4.058) 12.131 13.779 ( 5.022 10.270 4.058) 12.131 14.040 ( -9.253 8.529 -9.953) 16.044 14.040 ( -9.253 8.529 9.953) 16.044 14.624 ( 12.146 -9.595 -12.212) 19.717 14.624 ( 12.146 -9.595 12.212) 19.717 15.530 ( 10.019 -5.018 -8.893) 14.306 15.530 ( 10.019 -5.018 8.893) 14.306 15.767 ( -10.839 19.108 -16.593) 27.530 15.767 ( -10.839 19.108 16.593) 27.530 17.051 ( 11.817 -5.760 -14.958) 19.914 17.051 ( 11.817 -5.760 14.958) 19.914 17.652 ( 17.016 7.390 -17.940) 25.807 17.652 ( 17.016 7.390 17.940) 25.807 18.095 ( -0.288 -8.284 -10.504) 13.381 18.095 ( -0.288 -8.284 10.504) 13.381 18.452 ( 4.818 -14.759 -9.694) 18.303 18.452 ( 4.818 -14.759 9.694) 18.303 18.996 ( 9.958 -13.183 -1.567) 16.595 18.996 ( 9.958 -13.183 1.567) 16.595 21.257 ( -16.269 11.032 -4.171) 20.095 21.257 ( -16.269 11.032 4.171) 20.095 21.476 ( -10.652 2.497 -4.756) 11.929 21.476 ( -10.652 2.497 4.756) 11.929 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -1.804 6.502 -6.750) 9.544 2.538 ( -1.804 6.502 6.750) 9.544 3.000 ( -2.455 -3.228 -3.980) 5.682 3.000 ( -2.455 -3.228 3.980) 5.682 3.293 ( -2.799 -1.644 -10.836) 11.311 3.293 ( -2.799 -1.644 10.836) 11.311 3.477 ( -5.639 -5.542 -5.164) 9.443 3.477 ( -5.639 -5.542 5.164) 9.443 3.787 ( 3.566 4.252 -1.115) 5.660 3.787 ( 3.566 4.252 1.115) 5.660 4.384 ( 3.490 -11.498 -1.496) 12.109 4.384 ( 3.490 -11.498 1.496) 12.109 7.856 ( 12.744 13.341 -4.596) 19.013 7.856 ( 12.744 13.341 4.596) 19.013 8.255 ( 5.492 15.989 -12.159) 20.824 8.255 ( 5.492 15.989 12.159) 20.824 8.663 ( -5.913 10.818 -6.711) 14.037 8.663 ( -5.913 10.818 6.711) 14.037 9.302 ( 6.468 -13.261 -11.504) 18.709 9.302 ( 6.468 -13.261 11.504) 18.709 9.679 ( -0.616 -13.820 -10.194) 17.184 9.679 ( -0.616 -13.820 10.194) 17.184 10.184 ( -2.546 -12.101 -9.950) 15.872 10.184 ( -2.546 -12.101 9.950) 15.872 10.789 ( 10.363 13.134 -7.477) 18.325 10.789 ( 10.363 13.134 7.477) 18.325 11.274 ( -2.210 7.805 -12.513) 14.912 11.274 ( -2.210 7.805 12.513) 14.912 11.521 ( -2.152 -6.300 -3.345) 7.450 11.521 ( -2.152 -6.300 3.345) 7.450 12.227 ( -11.136 -10.241 -5.224) 16.005 12.227 ( -11.136 -10.241 5.224) 16.005 13.126 ( 0.222 2.595 -6.566) 7.064 13.126 ( 0.222 2.595 6.566) 7.064 13.314 ( -8.550 2.290 -2.817) 9.288 13.314 ( -8.550 2.290 2.817) 9.288 13.754 ( -5.100 6.356 -3.866) 9.020 13.754 ( -5.100 6.356 3.866) 9.020 13.995 ( 3.405 19.904 -4.263) 20.638 13.995 ( 3.405 19.904 4.263) 20.638 14.926 ( 14.762 -14.109 -9.942) 22.712 14.926 ( 14.762 -14.109 9.942) 22.712 15.504 ( -8.523 24.394 -12.297) 28.616 15.504 ( -8.523 24.394 12.297) 28.616 15.757 ( 5.759 -15.644 -1.000) 16.700 15.757 ( 5.759 -15.644 1.000) 16.700 17.278 ( 9.295 -11.899 -10.094) 18.163 17.278 ( 9.295 -11.899 10.094) 18.163 17.957 ( 6.998 13.875 -13.945) 20.880 17.957 ( 6.998 13.875 13.945) 20.880 18.131 ( 8.317 -7.601 -8.198) 13.934 18.131 ( 8.317 -7.601 8.198) 13.934 18.549 ( 4.168 -12.815 -7.040) 15.204 18.549 ( 4.168 -12.815 7.040) 15.204 19.202 ( 8.701 -16.336 -0.160) 18.510 19.202 ( 8.701 -16.336 0.160) 18.510 20.903 ( -16.354 15.061 -2.533) 22.376 20.903 ( -16.354 15.061 2.533) 22.376 21.243 ( -10.768 2.016 -4.383) 11.799 21.243 ( -10.768 2.016 4.383) 11.799 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -0.630 9.163 -3.106) 9.695 2.512 ( -0.630 9.163 3.107) 9.695 2.954 ( -1.391 -3.125 -2.087) 4.007 2.954 ( -1.391 -3.125 2.087) 4.007 3.270 ( 0.296 -4.178 -5.476) 6.894 3.270 ( 0.296 -4.178 5.476) 6.894 3.369 ( -3.785 -4.490 -2.785) 6.499 3.369 ( -3.785 -4.490 2.785) 6.499 3.851 ( 1.867 6.205 -0.877) 6.539 3.851 ( 1.867 6.205 0.877) 6.539 4.438 ( 1.420 -14.590 -0.489) 14.667 4.438 ( 1.420 -14.590 0.489) 14.667 8.046 ( 4.827 23.266 -2.192) 23.863 8.046 ( 4.827 23.266 2.192) 23.863 8.349 ( 2.878 14.559 -13.177) 19.847 8.349 ( 2.878 14.559 13.177) 19.847 8.554 ( -3.342 12.311 -5.160) 13.761 8.554 ( -3.342 12.311 5.160) 13.761 9.360 ( 0.294 -19.283 -3.808) 19.658 9.360 ( 0.294 -19.283 3.808) 19.658 9.690 ( 0.546 -17.500 -8.464) 19.447 9.690 ( 0.546 -17.500 8.464) 19.447 10.150 ( -0.166 -16.360 -3.114) 16.655 10.150 ( -0.166 -16.360 3.114) 16.655 10.926 ( 1.662 13.312 -3.232) 13.799 10.926 ( 1.662 13.312 3.232) 13.799 11.276 ( 2.621 13.041 -9.863) 16.559 11.276 ( 2.621 13.041 9.863) 16.559 11.505 ( -0.414 -4.567 -2.743) 5.343 11.505 ( -0.414 -4.567 2.743) 5.343 12.069 ( -3.829 -12.750 -3.022) 13.651 12.069 ( -3.829 -12.750 3.022) 13.651 13.113 ( -0.175 0.699 -3.816) 3.883 13.113 ( -0.175 0.699 3.816) 3.883 13.164 ( -5.132 0.677 -2.198) 5.624 13.164 ( -5.132 0.677 2.198) 5.624 13.687 ( -1.256 11.996 -2.183) 12.258 13.687 ( -1.256 11.996 2.183) 12.258 14.059 ( 1.861 19.776 -2.439) 20.012 14.059 ( 1.861 19.776 2.439) 20.012 15.180 ( 8.630 -14.627 -5.098) 17.731 15.180 ( 8.630 -14.627 5.098) 17.731 15.352 ( -5.641 26.903 -5.968) 28.128 15.352 ( -5.641 26.903 5.968) 28.128 15.836 ( 1.719 -21.389 -0.928) 21.478 15.836 ( 1.719 -21.389 0.928) 21.478 17.413 ( 3.301 -17.236 -3.545) 17.904 17.413 ( 3.301 -17.236 3.545) 17.904 17.983 ( -0.305 14.823 -3.544) 15.244 17.983 ( -0.305 14.823 3.544) 15.244 18.372 ( 9.008 -7.027 -6.191) 12.994 18.372 ( 9.008 -7.027 6.191) 12.994 18.600 ( 0.334 -8.285 -1.825) 8.490 18.600 ( 0.334 -8.285 1.825) 8.490 19.330 ( 3.195 -18.478 -0.607) 18.762 19.330 ( 3.195 -18.478 0.607) 18.762 20.638 ( -7.377 18.853 -0.952) 20.268 20.638 ( -7.377 18.853 0.952) 20.268 21.069 ( -4.799 1.853 -1.956) 5.504 21.069 ( -4.799 1.853 1.956) 5.504 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 0.000 1.598 -1.764) 2.380 2.672 ( 0.000 1.598 1.764) 2.380 3.184 ( 0.000 -0.641 -7.080) 7.108 3.184 ( 0.000 -0.641 7.080) 7.108 3.217 ( 0.000 -1.922 -1.357) 2.353 3.217 ( 0.000 -1.922 1.357) 2.353 3.613 ( 0.000 8.099 -5.977) 10.065 3.613 ( 0.000 8.099 5.977) 10.065 3.784 ( 0.000 -7.754 -3.493) 8.505 3.784 ( 0.000 -7.754 3.493) 8.505 4.135 ( 0.000 -3.224 -2.650) 4.173 4.135 ( 0.000 -3.224 2.650) 4.173 7.184 ( 0.000 -0.313 -2.111) 2.134 7.184 ( 0.000 -0.313 2.111) 2.134 7.880 ( 0.000 2.334 -0.406) 2.369 7.880 ( 0.000 2.334 0.406) 2.369 8.845 ( 0.000 1.119 -5.928) 6.033 8.845 ( 0.000 1.119 5.928) 6.033 8.950 ( 0.000 -2.493 -0.158) 2.498 8.950 ( 0.000 -2.493 0.158) 2.498 9.876 ( 0.000 6.350 -3.398) 7.202 9.876 ( 0.000 6.350 3.398) 7.202 9.965 ( 0.000 -2.145 -6.477) 6.823 9.965 ( 0.000 -2.145 6.477) 6.823 10.919 ( 0.000 16.066 -16.317) 22.899 10.919 ( 0.000 16.066 16.317) 22.899 11.296 ( 0.000 -14.370 -22.788) 26.940 11.296 ( 0.000 -14.370 22.788) 26.940 11.773 ( 0.000 1.553 -0.412) 1.606 11.773 ( 0.000 1.553 0.412) 1.606 12.881 ( 0.000 -5.002 -2.916) 5.790 12.881 ( 0.000 -5.002 2.916) 5.790 12.944 ( 0.000 -6.745 -0.639) 6.775 12.944 ( 0.000 -6.745 0.639) 6.775 13.292 ( 0.000 0.958 -0.456) 1.061 13.292 ( 0.000 0.958 0.456) 1.061 13.820 ( 0.000 6.629 -2.687) 7.153 13.820 ( 0.000 6.629 2.687) 7.153 14.352 ( 0.000 -0.386 -0.618) 0.729 14.352 ( 0.000 -0.386 0.618) 0.729 14.641 ( 0.000 7.227 -0.430) 7.240 14.641 ( 0.000 7.227 0.430) 7.240 15.104 ( 0.000 -3.738 -5.931) 7.011 15.104 ( 0.000 -3.738 5.931) 7.011 16.415 ( 0.000 2.153 -5.357) 5.773 16.415 ( 0.000 2.153 5.357) 5.773 16.846 ( 0.000 18.483 -3.664) 18.843 16.846 ( 0.000 18.483 3.664) 18.843 17.299 ( 0.000 2.582 -17.364) 17.555 17.299 ( 0.000 2.582 17.364) 17.555 17.589 ( 0.000 -23.708 -11.667) 26.423 17.589 ( 0.000 -23.708 11.667) 26.423 18.154 ( 0.000 -3.583 -2.615) 4.436 18.154 ( 0.000 -3.583 2.615) 4.436 18.664 ( 0.000 -3.362 -0.258) 3.372 18.664 ( 0.000 -3.362 0.258) 3.372 21.749 ( 0.000 3.190 -2.544) 4.080 21.749 ( 0.000 3.190 2.544) 4.080 21.772 ( 0.000 1.071 -1.303) 1.687 21.772 ( 0.000 1.071 1.303) 1.687 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -0.237 1.993 -2.173) 2.958 2.671 ( -0.237 1.993 2.173) 2.958 3.117 ( -4.036 1.670 -2.833) 5.207 3.117 ( -4.036 1.671 2.833) 5.207 3.262 ( 2.145 -5.697 -1.962) 6.396 3.262 ( 2.145 -5.697 1.962) 6.396 3.597 ( -2.397 5.494 -3.356) 6.870 3.597 ( -2.397 5.494 3.356) 6.870 3.767 ( -0.766 -4.235 -1.365) 4.514 3.767 ( -0.766 -4.235 1.365) 4.514 4.151 ( 1.492 -3.253 -2.194) 4.198 4.151 ( 1.492 -3.253 2.194) 4.198 7.306 ( 11.290 0.250 -1.976) 11.464 7.306 ( 11.290 0.250 1.976) 11.464 8.032 ( 13.537 3.648 -0.800) 14.043 8.032 ( 13.537 3.648 0.800) 14.043 8.834 ( -0.607 2.556 -7.182) 7.648 8.834 ( -0.607 2.556 7.182) 7.648 8.954 ( 0.241 -4.446 -7.944) 9.107 8.954 ( 0.241 -4.446 7.944) 9.107 9.852 ( -4.258 2.555 -1.294) 5.131 9.852 ( -4.258 2.555 1.294) 5.131 10.020 ( 5.788 0.902 -2.968) 6.567 10.020 ( 5.788 0.902 2.968) 6.567 10.856 ( -4.879 12.448 -15.029) 20.116 10.856 ( -4.879 12.448 15.029) 20.116 11.250 ( -3.230 -12.190 -17.380) 21.473 11.250 ( -3.230 -12.190 17.380) 21.473 11.717 ( -4.744 1.101 -0.887) 4.950 11.717 ( -4.744 1.101 0.887) 4.950 12.761 ( -12.327 -3.309 -2.359) 12.980 12.761 ( -12.327 -3.309 2.359) 12.980 13.046 ( 7.387 -0.182 -3.340) 8.109 13.046 ( 7.387 -0.182 3.340) 8.109 13.287 ( 2.974 -5.391 -2.675) 6.713 13.287 ( 2.974 -5.391 2.675) 6.713 13.922 ( 6.918 7.818 -2.341) 10.699 13.922 ( 6.918 7.818 2.341) 10.699 14.224 ( -9.679 -1.798 -3.188) 10.348 14.224 ( -9.679 -1.798 3.188) 10.348 14.625 ( -0.807 9.334 -1.814) 9.543 14.625 ( -0.807 9.334 1.814) 9.543 15.178 ( 5.558 -7.316 -4.534) 10.246 15.178 ( 5.558 -7.316 4.534) 10.246 16.335 ( -6.525 9.155 -9.745) 14.878 16.335 ( -6.525 9.155 9.745) 14.878 16.868 ( 1.617 6.889 -9.255) 11.650 16.868 ( 1.617 6.889 9.255) 11.650 17.424 ( 11.086 1.568 -17.952) 21.157 17.424 ( 11.086 1.568 17.952) 21.157 17.685 ( 8.698 -17.140 -12.164) 22.746 17.685 ( 8.698 -17.140 12.164) 22.746 18.233 ( 6.855 -1.799 -4.365) 8.323 18.233 ( 6.855 -1.799 4.365) 8.323 18.675 ( 1.277 -5.030 -1.000) 5.285 18.675 ( 1.277 -5.030 1.000) 5.285 21.661 ( -8.181 4.115 -2.148) 9.406 21.661 ( -8.181 4.115 2.148) 9.406 21.696 ( -7.030 0.414 -1.474) 7.195 21.696 ( -7.030 0.414 1.474) 7.195 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -0.767 2.876 -2.770) 4.066 2.659 ( -0.767 2.876 2.770) 4.066 3.031 ( -4.112 -0.014 -1.512) 4.381 3.031 ( -4.112 -0.014 1.512) 4.381 3.301 ( 1.381 -3.451 -5.368) 6.529 3.301 ( 1.381 -3.451 5.368) 6.529 3.488 ( -7.251 -1.951 -2.974) 8.076 3.488 ( -7.251 -1.951 2.974) 8.076 3.785 ( 2.346 1.620 -1.285) 3.127 3.785 ( 2.346 1.620 1.285) 3.127 4.189 ( 1.868 -3.493 -1.372) 4.192 4.189 ( 1.868 -3.493 1.372) 4.192 7.627 ( 18.637 1.941 -1.446) 18.794 7.627 ( 18.637 1.941 1.446) 18.794 8.365 ( 15.825 9.502 -4.737) 19.057 8.365 ( 15.825 9.502 4.737) 19.057 8.842 ( 1.677 3.118 -6.249) 7.182 8.842 ( 1.677 3.118 6.249) 7.182 8.961 ( 0.799 -8.020 -14.972) 17.003 8.961 ( 0.799 -8.020 14.972) 17.003 9.700 ( -9.865 -0.264 -3.052) 10.330 9.700 ( -9.865 -0.264 3.052) 10.330 10.090 ( -2.414 -2.434 -5.133) 6.173 10.090 ( -2.414 -2.434 5.133) 6.173 10.830 ( 5.577 9.989 -11.762) 16.408 10.830 ( 5.577 9.989 11.762) 16.408 11.212 ( 0.233 -9.079 -10.487) 13.873 11.212 ( 0.233 -9.079 10.487) 13.873 11.599 ( -6.078 1.097 -2.092) 6.521 11.599 ( -6.078 1.097 2.092) 6.521 12.416 ( -18.287 -3.186 -2.232) 18.696 12.416 ( -18.287 -3.186 2.232) 18.696 13.186 ( 4.615 7.899 -5.645) 10.750 13.186 ( 4.615 7.899 5.645) 10.750 13.371 ( 1.459 -9.071 -5.385) 10.650 13.371 ( 1.459 -9.071 5.385) 10.650 13.956 ( -4.122 7.526 -4.690) 9.779 13.956 ( -4.122 7.526 4.690) 9.779 14.140 ( 4.233 -2.869 -3.165) 6.014 14.140 ( 4.233 -2.869 3.165) 6.014 14.654 ( 4.435 12.360 -4.341) 13.831 14.654 ( 4.435 12.360 4.341) 13.831 15.283 ( 3.955 -14.907 -0.924) 15.450 15.283 ( 3.955 -14.907 0.924) 15.450 16.190 ( -6.593 18.370 -10.398) 22.114 16.190 ( -6.593 18.370 10.398) 22.114 16.896 ( 0.666 -9.596 -9.601) 13.590 16.896 ( 0.666 -9.596 9.601) 13.590 17.714 ( 15.621 -1.136 -13.928) 20.960 17.714 ( 15.621 -1.136 13.928) 20.960 17.921 ( 13.097 -4.730 -9.092) 16.630 17.921 ( 13.097 -4.730 9.092) 16.630 18.391 ( 7.067 4.906 -6.061) 10.524 18.391 ( 7.067 4.906 6.061) 10.524 18.731 ( 4.357 -11.856 -2.179) 12.818 18.731 ( 4.357 -11.856 2.179) 12.818 21.427 ( -13.503 6.151 -1.459) 14.910 21.427 ( -13.503 6.151 1.459) 14.910 21.496 ( -11.575 -0.844 -2.379) 11.847 21.496 ( -11.575 -0.844 2.379) 11.847 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 0.862 4.375 -3.006) 5.378 2.656 ( 0.862 4.375 3.006) 5.378 2.950 ( -3.641 -1.763 -2.024) 4.524 2.950 ( -3.641 -1.763 2.024) 4.524 3.280 ( -3.975 1.183 -11.599) 12.319 3.280 ( -3.975 1.183 11.599) 12.319 3.355 ( -4.321 -6.046 -8.715) 11.453 3.355 ( -4.321 -6.046 8.715) 11.453 3.863 ( 5.180 2.768 -0.709) 5.916 3.863 ( 5.180 2.768 0.709) 5.916 4.214 ( 0.193 -5.143 -0.966) 5.237 4.214 ( 0.193 -5.143 0.966) 5.237 8.046 ( 20.616 5.447 -0.549) 21.330 8.046 ( 20.616 5.447 0.549) 21.330 8.596 ( 5.871 16.407 -12.160) 21.249 8.596 ( 5.871 16.407 12.160) 21.249 8.861 ( -1.361 6.462 -10.533) 12.432 8.861 ( -1.361 6.462 10.533) 12.432 9.041 ( 6.340 -12.436 -12.029) 18.427 9.041 ( 6.340 -12.436 12.029) 18.427 9.472 ( -10.261 -5.051 -2.782) 11.771 9.472 ( -10.261 -5.051 2.782) 11.771 9.935 ( -9.822 -10.532 -5.466) 15.404 9.935 ( -9.822 -10.532 5.466) 15.404 11.051 ( 11.247 12.746 -4.737) 17.646 11.051 ( 11.247 12.746 4.737) 17.646 11.272 ( 5.860 -8.067 -7.815) 12.669 11.272 ( 5.860 -8.067 7.815) 12.669 11.486 ( -3.781 2.311 -4.690) 6.452 11.486 ( -3.781 2.311 4.690) 6.452 12.068 ( -14.122 -5.017 -3.031) 15.290 12.068 ( -14.122 -5.017 3.031) 15.290 13.198 ( -3.370 4.548 -5.177) 7.671 13.198 ( -3.370 4.548 5.177) 7.671 13.294 ( -6.976 -3.576 -4.506) 9.042 13.294 ( -6.976 -3.576 4.506) 9.042 13.948 ( 3.151 11.555 -5.776) 13.297 13.948 ( 3.151 11.555 5.776) 13.297 14.250 ( 4.946 -1.244 -6.096) 7.948 14.250 ( 4.946 -1.244 6.096) 7.948 14.800 ( 8.280 9.339 -5.838) 13.779 14.800 ( 8.280 9.339 5.838) 13.779 15.337 ( 1.269 -21.803 -2.714) 22.008 15.337 ( 1.269 -21.803 2.714) 22.008 16.085 ( -3.024 27.690 -8.141) 29.020 16.085 ( -3.024 27.690 8.141) 29.020 16.884 ( -1.898 -24.271 -6.641) 25.234 16.884 ( -1.898 -24.271 6.641) 25.234 18.035 ( 14.181 0.004 -5.368) 15.163 18.035 ( 14.181 0.004 5.368) 15.163 18.199 ( 12.755 3.396 -4.770) 14.035 18.199 ( 12.755 3.396 4.770) 14.035 18.500 ( 3.241 10.686 -3.385) 11.669 18.500 ( 3.241 10.686 3.385) 11.669 18.844 ( 5.486 -19.450 -1.111) 20.240 18.844 ( 5.486 -19.450 1.111) 20.240 21.137 ( -13.213 8.713 -1.334) 15.884 21.137 ( -13.213 8.713 1.334) 15.884 21.245 ( -11.502 -2.242 -2.701) 12.025 21.245 ( -11.502 -2.242 2.701) 12.025 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 1.997 8.176 -1.814) 8.609 2.693 ( 1.997 8.176 1.814) 8.609 2.879 ( -2.764 -4.540 -1.186) 5.446 2.879 ( -2.764 -4.540 1.186) 5.446 3.217 ( -0.740 -0.959 -4.930) 5.077 3.217 ( -0.740 -0.959 4.930) 5.077 3.275 ( -3.374 -4.040 -3.599) 6.376 3.275 ( -3.374 -4.040 3.599) 6.376 3.976 ( 4.282 6.305 -0.733) 7.657 3.976 ( 4.282 6.305 0.733) 7.657 4.195 ( -1.504 -9.529 -0.647) 9.669 4.195 ( -1.504 -9.529 0.647) 9.669 8.442 ( 15.158 14.939 -2.307) 21.407 8.442 ( 15.158 14.939 2.307) 21.407 8.662 ( 1.091 15.486 -8.366) 17.635 8.662 ( 1.091 15.486 8.366) 17.635 8.810 ( -2.317 8.610 -3.231) 9.484 8.810 ( -2.317 8.610 3.231) 9.484 9.014 ( -8.346 -14.211 -1.970) 16.598 9.014 ( -8.346 -14.211 1.970) 16.598 9.415 ( 3.758 -6.023 -6.295) 9.488 9.415 ( 3.758 -6.023 6.295) 9.488 9.753 ( -6.199 -20.543 -3.393) 21.724 9.753 ( -6.199 -20.543 3.393) 21.724 11.176 ( 1.643 11.743 -2.043) 12.032 11.176 ( 1.643 11.743 2.043) 12.032 11.379 ( 1.311 -7.575 -3.946) 8.641 11.379 ( 1.311 -7.575 3.946) 8.641 11.521 ( 6.538 9.600 -0.962) 11.655 11.521 ( 6.538 9.600 0.962) 11.655 11.845 ( -6.880 -9.337 -3.304) 12.059 11.845 ( -6.880 -9.337 3.304) 12.059 13.117 ( -1.968 0.308 -1.967) 2.799 13.117 ( -1.968 0.308 1.967) 2.799 13.157 ( -5.197 -0.828 -1.585) 5.496 13.157 ( -5.197 -0.828 1.585) 5.496 14.017 ( 2.232 19.540 -2.824) 19.869 14.017 ( 2.232 19.540 2.824) 19.869 14.324 ( 1.905 -2.007 -3.234) 4.256 14.324 ( 1.905 -2.007 3.234) 4.256 14.940 ( 3.992 5.138 -3.085) 7.201 14.940 ( 3.992 5.138 3.085) 7.201 15.346 ( -0.034 -25.563 -2.145) 25.653 15.346 ( -0.034 -25.563 2.145) 25.653 16.061 ( 0.067 37.283 -3.373) 37.435 16.061 ( 0.067 37.283 3.373) 37.435 16.834 ( -1.920 -36.002 -2.538) 36.142 16.834 ( -1.920 -36.002 2.538) 36.142 18.263 ( 6.484 8.375 -1.758) 10.737 18.263 ( 6.484 8.375 1.758) 10.737 18.417 ( 7.120 -0.075 -8.005) 10.714 18.417 ( 7.120 -0.075 8.005) 10.714 18.525 ( -0.812 12.035 -2.899) 12.406 18.525 ( -0.812 12.035 2.899) 12.406 18.926 ( 2.027 -22.348 -0.550) 22.446 18.926 ( 2.026 -22.348 0.550) 22.446 20.927 ( -5.750 10.768 -0.728) 12.228 20.927 ( -5.750 10.768 0.728) 12.228 21.061 ( -5.060 -3.247 -1.322) 6.155 21.061 ( -5.060 -3.247 1.322) 6.155 =================== 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 3356.169 4249.082 6002.668 0.000 0.000 0.000 3/37800 20.0 1029.223 1449.166 1215.856 0.000 0.000 0.000 3/37800 30.0 410.408 607.741 493.009 0.000 0.000 0.000 3/37800 40.0 262.988 398.142 317.460 0.000 0.000 0.000 3/37800 50.0 189.687 292.167 230.682 0.000 0.000 0.000 3/37800 60.0 140.273 218.015 171.442 0.000 0.000 0.000 3/37800 70.0 104.877 163.448 128.452 0.000 0.000 0.000 3/37800 80.0 79.709 124.035 97.624 0.000 0.000 0.000 3/37800 90.0 61.930 95.937 75.753 0.000 0.000 0.000 3/37800 100.0 49.296 75.866 60.187 0.000 0.000 0.000 3/37800 110.0 40.185 61.356 48.960 0.000 0.000 0.000 3/37800 120.0 33.486 50.686 40.709 0.000 0.000 0.000 3/37800 130.0 28.458 42.691 34.520 0.000 0.000 0.000 3/37800 140.0 24.607 36.585 29.784 0.000 0.000 0.000 3/37800 150.0 21.598 31.837 26.088 0.000 0.000 0.000 3/37800 160.0 19.206 28.080 23.151 0.000 0.000 0.000 3/37800 170.0 17.271 25.059 20.779 0.000 0.000 0.000 3/37800 180.0 15.683 22.593 18.833 0.000 0.000 0.000 3/37800 190.0 14.361 20.553 17.215 0.000 0.000 0.000 3/37800 200.0 13.247 18.845 15.853 0.000 0.000 0.000 3/37800 210.0 12.297 17.396 14.693 0.000 0.000 0.000 3/37800 220.0 11.478 16.156 13.694 0.000 0.000 0.000 3/37800 230.0 10.766 15.084 12.827 0.000 0.000 0.000 3/37800 240.0 10.141 14.149 12.067 0.000 0.000 0.000 3/37800 250.0 9.589 13.327 11.396 0.000 0.000 0.000 3/37800 260.0 9.097 12.599 10.800 0.000 0.000 0.000 3/37800 270.0 8.657 11.951 10.266 0.000 0.000 0.000 3/37800 280.0 8.259 11.369 9.786 0.000 0.000 0.000 3/37800 290.0 7.899 10.844 9.351 0.000 0.000 0.000 3/37800 300.0 7.572 10.368 8.955 0.000 0.000 0.000 3/37800 310.0 7.272 9.935 8.594 0.000 0.000 0.000 3/37800 320.0 6.996 9.539 8.262 0.000 0.000 0.000 3/37800 330.0 6.742 9.175 7.957 0.000 0.000 0.000 3/37800 340.0 6.507 8.839 7.674 0.000 0.000 0.000 3/37800 350.0 6.289 8.529 7.413 0.000 0.000 0.000 3/37800 360.0 6.086 8.241 7.169 0.000 0.000 0.000 3/37800 370.0 5.897 7.972 6.942 0.000 0.000 0.000 3/37800 380.0 5.719 7.722 6.730 0.000 0.000 0.000 3/37800 390.0 5.553 7.488 6.531 0.000 0.000 0.000 3/37800 400.0 5.396 7.269 6.344 0.000 0.000 0.000 3/37800 410.0 5.249 7.063 6.168 0.000 0.000 0.000 3/37800 420.0 5.109 6.869 6.003 0.000 0.000 0.000 3/37800 430.0 4.978 6.685 5.846 0.000 0.000 0.000 3/37800 440.0 4.853 6.512 5.697 0.000 0.000 0.000 3/37800 450.0 4.735 6.348 5.557 0.000 0.000 0.000 3/37800 460.0 4.622 6.193 5.423 0.000 0.000 0.000 3/37800 470.0 4.515 6.045 5.296 0.000 0.000 0.000 3/37800 480.0 4.413 5.904 5.175 0.000 0.000 0.000 3/37800 490.0 4.316 5.771 5.060 0.000 0.000 0.000 3/37800 500.0 4.223 5.643 4.949 0.000 0.000 0.000 3/37800 510.0 4.134 5.521 4.844 0.000 0.000 0.000 3/37800 520.0 4.049 5.405 4.744 0.000 0.000 0.000 3/37800 530.0 3.968 5.293 4.647 0.000 0.000 0.000 3/37800 540.0 3.889 5.186 4.555 0.000 0.000 0.000 3/37800 550.0 3.814 5.084 4.466 0.000 0.000 0.000 3/37800 560.0 3.742 4.985 4.381 0.000 0.000 0.000 3/37800 570.0 3.673 4.891 4.299 0.000 0.000 0.000 3/37800 580.0 3.606 4.800 4.220 0.000 0.000 0.000 3/37800 590.0 3.542 4.713 4.144 0.000 0.000 0.000 3/37800 600.0 3.480 4.629 4.071 0.000 0.000 0.000 3/37800 610.0 3.420 4.548 4.000 0.000 0.000 0.000 3/37800 620.0 3.362 4.469 3.932 0.000 0.000 0.000 3/37800 630.0 3.306 4.394 3.866 0.000 0.000 0.000 3/37800 640.0 3.252 4.321 3.803 0.000 0.000 0.000 3/37800 650.0 3.200 4.251 3.742 0.000 0.000 0.000 3/37800 660.0 3.150 4.182 3.682 0.000 0.000 0.000 3/37800 670.0 3.101 4.116 3.625 0.000 0.000 0.000 3/37800 680.0 3.054 4.053 3.569 0.000 0.000 0.000 3/37800 690.0 3.008 3.991 3.515 0.000 0.000 0.000 3/37800 700.0 2.963 3.931 3.463 0.000 0.000 0.000 3/37800 710.0 2.920 3.873 3.412 0.000 0.000 0.000 3/37800 720.0 2.878 3.816 3.363 0.000 0.000 0.000 3/37800 730.0 2.837 3.762 3.315 0.000 0.000 0.000 3/37800 740.0 2.798 3.709 3.268 0.000 0.000 0.000 3/37800 750.0 2.759 3.657 3.223 0.000 0.000 0.000 3/37800 760.0 2.722 3.607 3.179 0.000 0.000 0.000 3/37800 770.0 2.686 3.558 3.136 0.000 0.000 0.000 3/37800 780.0 2.650 3.510 3.095 0.000 0.000 0.000 3/37800 790.0 2.616 3.464 3.054 0.000 0.000 0.000 3/37800 800.0 2.582 3.419 3.015 0.000 0.000 0.000 3/37800 810.0 2.549 3.375 2.977 0.000 0.000 0.000 3/37800 820.0 2.518 3.333 2.939 0.000 0.000 0.000 3/37800 830.0 2.487 3.291 2.903 0.000 0.000 0.000 3/37800 840.0 2.456 3.251 2.867 0.000 0.000 0.000 3/37800 850.0 2.427 3.211 2.833 0.000 0.000 0.000 3/37800 860.0 2.398 3.173 2.799 0.000 0.000 0.000 3/37800 870.0 2.370 3.135 2.766 0.000 0.000 0.000 3/37800 880.0 2.342 3.098 2.734 0.000 0.000 0.000 3/37800 890.0 2.315 3.062 2.702 0.000 0.000 0.000 3/37800 900.0 2.289 3.027 2.671 0.000 0.000 0.000 3/37800 910.0 2.263 2.993 2.641 0.000 0.000 0.000 3/37800 920.0 2.238 2.960 2.612 0.000 0.000 0.000 3/37800 930.0 2.214 2.927 2.583 0.000 0.000 0.000 3/37800 940.0 2.190 2.895 2.555 0.000 0.000 0.000 3/37800 950.0 2.166 2.864 2.528 0.000 0.000 0.000 3/37800 960.0 2.143 2.833 2.501 0.000 0.000 0.000 3/37800 970.0 2.121 2.803 2.474 0.000 0.000 0.000 3/37800 980.0 2.099 2.774 2.449 0.000 0.000 0.000 3/37800 990.0 2.077 2.745 2.423 0.000 0.000 0.000 3/37800 1000.0 2.056 2.717 2.399 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 2026-01-09 00:02:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|