----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:15:34]------------------------- 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 5.984219550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.347822310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.792260170000000 Atomic positions (fractional): *1 O 0.69659957344304 0.56655485574316 0.80496581970966 15.999 2 O 0.80340042655696 0.43344514425684 0.30496581970966 15.999 3 O 0.19659957344304 0.93344514425684 0.69503418029034 15.999 4 O 0.30340042655696 0.06655485574316 0.19503418029034 15.999 5 O 0.30340042655696 0.43344514425684 0.19503418029034 15.999 6 O 0.19659957344304 0.56655485574316 0.69503418029034 15.999 7 O 0.80340042655696 0.06655485574316 0.30496581970966 15.999 8 O 0.69659957344304 0.93344514425684 0.80496581970966 15.999 *9 O 0.44622474342072 0.25000000000000 0.62429761258324 15.999 10 O 0.05377525657928 0.75000000000000 0.12429761258324 15.999 11 O 0.94622474342072 0.25000000000000 0.87570238741676 15.999 12 O 0.55377525657928 0.75000000000000 0.37570238741676 15.999 *13 La 0.05006613790263 0.25000000000000 0.48409845047038 138.905 14 La 0.44993386209737 0.75000000000000 0.98409845047038 138.905 15 La 0.55006613790263 0.25000000000000 0.01590154952962 138.905 16 La 0.94993386209737 0.75000000000000 0.51590154952962 138.905 *17 Tm 0.50000000000000 0.00000000000000 0.50000000000000 168.934 18 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 19 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 20 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.984219550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.347822310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.792260170000000 Atomic positions (fractional): *1 O 0.69659957344304 0.56655485574316 0.80496581970966 15.999 > 1 2 O 0.80340042655696 0.43344514425684 0.30496581970966 15.999 > 2 3 O 0.19659957344304 0.93344514425684 0.69503418029034 15.999 > 3 4 O 0.30340042655696 0.06655485574316 0.19503418029034 15.999 > 4 5 O 0.30340042655696 0.43344514425684 0.19503418029034 15.999 > 5 6 O 0.19659957344304 0.56655485574316 0.69503418029034 15.999 > 6 7 O 0.80340042655696 0.06655485574316 0.30496581970966 15.999 > 7 8 O 0.69659957344304 0.93344514425684 0.80496581970966 15.999 > 8 *9 O 0.44622474342072 0.25000000000000 0.62429761258324 15.999 > 9 10 O 0.05377525657928 0.75000000000000 0.12429761258324 15.999 > 10 11 O 0.94622474342072 0.25000000000000 0.87570238741676 15.999 > 11 12 O 0.55377525657928 0.75000000000000 0.37570238741676 15.999 > 12 *13 La 0.05006613790263 0.25000000000000 0.48409845047038 138.905 > 13 14 La 0.44993386209737 0.75000000000000 0.98409845047038 138.905 > 14 15 La 0.55006613790263 0.25000000000000 0.01590154952962 138.905 > 15 16 La 0.94993386209737 0.75000000000000 0.51590154952962 138.905 > 16 *17 Tm 0.50000000000000 0.00000000000000 0.50000000000000 168.934 > 17 18 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 18 19 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 > 19 20 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.968439099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.347822310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.584520339999999 Atomic positions (fractional): *1 O 0.34829978672152 0.56655485574316 0.40248290985483 15.999 > 1 2 O 0.84829978672152 0.56655485574316 0.40248290985483 15.999 > 1 3 O 0.34829978672152 0.56655485574316 0.90248290985483 15.999 > 1 4 O 0.84829978672152 0.56655485574316 0.90248290985483 15.999 > 1 5 O 0.40170021327848 0.43344514425684 0.15248290985483 15.999 > 2 6 O 0.90170021327848 0.43344514425684 0.15248290985483 15.999 > 2 7 O 0.40170021327848 0.43344514425684 0.65248290985483 15.999 > 2 8 O 0.90170021327848 0.43344514425684 0.65248290985483 15.999 > 2 9 O 0.09829978672152 0.93344514425684 0.34751709014517 15.999 > 3 10 O 0.59829978672152 0.93344514425684 0.34751709014517 15.999 > 3 11 O 0.09829978672152 0.93344514425684 0.84751709014517 15.999 > 3 12 O 0.59829978672152 0.93344514425684 0.84751709014517 15.999 > 3 13 O 0.15170021327848 0.06655485574316 0.09751709014517 15.999 > 4 14 O 0.65170021327848 0.06655485574316 0.09751709014517 15.999 > 4 15 O 0.15170021327848 0.06655485574316 0.59751709014517 15.999 > 4 16 O 0.65170021327848 0.06655485574316 0.59751709014517 15.999 > 4 17 O 0.15170021327848 0.43344514425684 0.09751709014517 15.999 > 5 18 O 0.65170021327848 0.43344514425684 0.09751709014517 15.999 > 5 19 O 0.15170021327848 0.43344514425684 0.59751709014517 15.999 > 5 20 O 0.65170021327848 0.43344514425684 0.59751709014517 15.999 > 5 21 O 0.09829978672152 0.56655485574316 0.34751709014517 15.999 > 6 22 O 0.59829978672152 0.56655485574316 0.34751709014517 15.999 > 6 23 O 0.09829978672152 0.56655485574316 0.84751709014517 15.999 > 6 24 O 0.59829978672152 0.56655485574316 0.84751709014517 15.999 > 6 25 O 0.40170021327848 0.06655485574316 0.15248290985483 15.999 > 7 26 O 0.90170021327848 0.06655485574316 0.15248290985483 15.999 > 7 27 O 0.40170021327848 0.06655485574316 0.65248290985483 15.999 > 7 28 O 0.90170021327848 0.06655485574316 0.65248290985483 15.999 > 7 29 O 0.34829978672152 0.93344514425684 0.40248290985483 15.999 > 8 30 O 0.84829978672152 0.93344514425684 0.40248290985483 15.999 > 8 31 O 0.34829978672152 0.93344514425684 0.90248290985483 15.999 > 8 32 O 0.84829978672152 0.93344514425684 0.90248290985483 15.999 > 8 *33 O 0.22311237171036 0.25000000000000 0.31214880629162 15.999 > 9 34 O 0.72311237171036 0.25000000000000 0.31214880629162 15.999 > 9 35 O 0.22311237171036 0.25000000000000 0.81214880629162 15.999 > 9 36 O 0.72311237171036 0.25000000000000 0.81214880629162 15.999 > 9 37 O 0.02688762828964 0.75000000000000 0.06214880629162 15.999 > 10 38 O 0.52688762828964 0.75000000000000 0.06214880629162 15.999 > 10 39 O 0.02688762828964 0.75000000000000 0.56214880629162 15.999 > 10 40 O 0.52688762828964 0.75000000000000 0.56214880629162 15.999 > 10 41 O 0.47311237171036 0.25000000000000 0.43785119370838 15.999 > 11 42 O 0.97311237171036 0.25000000000000 0.43785119370838 15.999 > 11 43 O 0.47311237171036 0.25000000000000 0.93785119370838 15.999 > 11 44 O 0.97311237171036 0.25000000000000 0.93785119370838 15.999 > 11 45 O 0.27688762828964 0.75000000000000 0.18785119370838 15.999 > 12 46 O 0.77688762828964 0.75000000000000 0.18785119370838 15.999 > 12 47 O 0.27688762828964 0.75000000000000 0.68785119370838 15.999 > 12 48 O 0.77688762828964 0.75000000000000 0.68785119370838 15.999 > 12 *49 La 0.02503306895131 0.25000000000000 0.24204922523519 138.905 > 13 50 La 0.52503306895131 0.25000000000000 0.24204922523519 138.905 > 13 51 La 0.02503306895131 0.25000000000000 0.74204922523519 138.905 > 13 52 La 0.52503306895131 0.25000000000000 0.74204922523519 138.905 > 13 53 La 0.22496693104869 0.75000000000000 0.49204922523519 138.905 > 14 54 La 0.72496693104869 0.75000000000000 0.49204922523519 138.905 > 14 55 La 0.22496693104869 0.75000000000000 0.99204922523519 138.905 > 14 56 La 0.72496693104869 0.75000000000000 0.99204922523519 138.905 > 14 57 La 0.27503306895131 0.25000000000000 0.00795077476481 138.905 > 15 58 La 0.77503306895131 0.25000000000000 0.00795077476481 138.905 > 15 59 La 0.27503306895131 0.25000000000000 0.50795077476481 138.905 > 15 60 La 0.77503306895131 0.25000000000000 0.50795077476481 138.905 > 15 61 La 0.47496693104869 0.75000000000000 0.25795077476481 138.905 > 16 62 La 0.97496693104869 0.75000000000000 0.25795077476481 138.905 > 16 63 La 0.47496693104869 0.75000000000000 0.75795077476481 138.905 > 16 64 La 0.97496693104869 0.75000000000000 0.75795077476481 138.905 > 16 *65 Tm 0.25000000000000 0.00000000000000 0.25000000000000 168.934 > 17 66 Tm 0.75000000000000 0.00000000000000 0.25000000000000 168.934 > 17 67 Tm 0.25000000000000 0.00000000000000 0.75000000000000 168.934 > 17 68 Tm 0.75000000000000 0.00000000000000 0.75000000000000 168.934 > 17 69 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 18 70 Tm 0.50000000000000 0.00000000000000 0.00000000000000 168.934 > 18 71 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 18 72 Tm 0.50000000000000 0.00000000000000 0.50000000000000 168.934 > 18 73 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 > 19 74 Tm 0.50000000000000 0.50000000000000 0.00000000000000 168.934 > 19 75 Tm 0.00000000000000 0.50000000000000 0.50000000000000 168.934 > 19 76 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 > 19 77 Tm 0.25000000000000 0.50000000000000 0.25000000000000 168.934 > 20 78 Tm 0.75000000000000 0.50000000000000 0.25000000000000 168.934 > 20 79 Tm 0.25000000000000 0.50000000000000 0.75000000000000 168.934 > 20 80 Tm 0.75000000000000 0.50000000000000 0.75000000000000 168.934 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6938416 0.0000000 0.0000000 0.0000000 4.5070344 0.0000000 0.0000000 0.0000000 4.7613059 -------------------------- Born effective charges -------------------------- 1 O -2.9024052 0.2593491 -0.2483778 0.3279827 -2.3457061 -0.1059364 -0.2303405 -0.0889700 -2.7165779 2 O -2.9024052 0.2593491 0.2483778 0.3279827 -2.3457061 0.1059364 0.2303405 0.0889700 -2.7165779 3 O -2.9024052 -0.2593491 0.2483778 -0.3279827 -2.3457061 -0.1059364 0.2303405 -0.0889700 -2.7165779 4 O -2.9024052 -0.2593491 -0.2483778 -0.3279827 -2.3457061 0.1059364 -0.2303405 0.0889700 -2.7165779 5 O -2.9024052 0.2593491 -0.2483778 0.3279827 -2.3457061 -0.1059364 -0.2303405 -0.0889700 -2.7165779 6 O -2.9024052 0.2593491 0.2483778 0.3279827 -2.3457061 0.1059364 0.2303405 0.0889700 -2.7165779 7 O -2.9024052 -0.2593491 0.2483778 -0.3279827 -2.3457061 -0.1059364 0.2303405 -0.0889700 -2.7165779 8 O -2.9024052 -0.2593491 -0.2483778 -0.3279827 -2.3457061 0.1059364 -0.2303405 0.0889700 -2.7165779 9 O -2.3383565 0.0000000 -0.4646530 0.0000000 -2.8946671 0.0000000 -0.5082873 0.0000000 -2.9040252 10 O -2.3383565 0.0000000 0.4646530 0.0000000 -2.8946671 0.0000000 0.5082873 0.0000000 -2.9040252 11 O -2.3383565 0.0000000 0.4646530 0.0000000 -2.8946671 0.0000000 0.5082873 0.0000000 -2.9040252 12 O -2.3383565 0.0000000 -0.4646530 0.0000000 -2.8946671 0.0000000 -0.5082873 0.0000000 -2.9040252 13 La 4.2477510 0.0000000 0.1371738 0.0000000 3.7268992 0.0000000 0.3512251 0.0000000 4.3950766 14 La 4.2477510 0.0000000 -0.1371738 0.0000000 3.7268992 0.0000000 -0.3512251 0.0000000 4.3950766 15 La 4.2477510 0.0000000 -0.1371738 0.0000000 3.7268992 0.0000000 -0.3512251 0.0000000 4.3950766 16 La 4.2477510 0.0000000 0.1371738 0.0000000 3.7268992 0.0000000 0.3512251 0.0000000 4.3950766 17 Tm 3.8954158 -0.1896957 -0.2206613 -0.1175191 3.8591801 -0.2760996 -0.0836894 -0.0799408 3.9421043 18 Tm 3.8954158 -0.1896957 0.2206613 -0.1175191 3.8591801 0.2760996 0.0836894 0.0799408 3.9421043 19 Tm 3.8954158 0.1896957 0.2206613 0.1175191 3.8591801 -0.2760996 0.0836894 -0.0799408 3.9421043 20 Tm 3.8954158 0.1896957 -0.2206613 0.1175191 3.8591801 0.2760996 -0.0836894 0.0799408 3.9421043 ---------------------------------------------------------------------------- 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: 0.718 Solver_block: 200 / 320 - Time: 0.722 Solver_block: 300 / 320 - Time: 0.724 Solver_block: 320 / 320 - Time: 0.179 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.359 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:15:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:15:46]------------------------- 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 5.984219550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.347822310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.792260170000000 Atomic positions (fractional): 1 O 0.69659957344304 0.56655485574316 0.80496581970966 15.999 2 O 0.80340042655696 0.43344514425684 0.30496581970966 15.999 3 O 0.19659957344304 0.93344514425684 0.69503418029034 15.999 4 O 0.30340042655696 0.06655485574316 0.19503418029034 15.999 5 O 0.30340042655696 0.43344514425684 0.19503418029034 15.999 6 O 0.19659957344304 0.56655485574316 0.69503418029034 15.999 7 O 0.80340042655696 0.06655485574316 0.30496581970966 15.999 8 O 0.69659957344304 0.93344514425684 0.80496581970966 15.999 9 O 0.44622474342072 0.25000000000000 0.62429761258324 15.999 10 O 0.05377525657928 0.75000000000000 0.12429761258324 15.999 11 O 0.94622474342072 0.25000000000000 0.87570238741676 15.999 12 O 0.55377525657928 0.75000000000000 0.37570238741676 15.999 13 La 0.05006613790263 0.25000000000000 0.48409845047038 138.905 14 La 0.44993386209737 0.75000000000000 0.98409845047038 138.905 15 La 0.55006613790263 0.25000000000000 0.01590154952962 138.905 16 La 0.94993386209737 0.75000000000000 0.51590154952962 138.905 17 Tm 0.50000000000000 0.00000000000000 0.50000000000000 168.934 18 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 19 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 20 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.968439099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.347822310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.584520339999999 Atomic positions (fractional): 1 O 0.34829978672152 0.56655485574316 0.40248290985483 15.999 > 1 2 O 0.84829978672152 0.56655485574316 0.40248290985483 15.999 > 1 3 O 0.34829978672152 0.56655485574316 0.90248290985483 15.999 > 1 4 O 0.84829978672152 0.56655485574316 0.90248290985483 15.999 > 1 5 O 0.40170021327848 0.43344514425684 0.15248290985483 15.999 > 5 6 O 0.90170021327848 0.43344514425684 0.15248290985483 15.999 > 5 7 O 0.40170021327848 0.43344514425684 0.65248290985483 15.999 > 5 8 O 0.90170021327848 0.43344514425684 0.65248290985483 15.999 > 5 9 O 0.09829978672152 0.93344514425684 0.34751709014517 15.999 > 9 10 O 0.59829978672152 0.93344514425684 0.34751709014517 15.999 > 9 11 O 0.09829978672152 0.93344514425684 0.84751709014517 15.999 > 9 12 O 0.59829978672152 0.93344514425684 0.84751709014517 15.999 > 9 13 O 0.15170021327848 0.06655485574316 0.09751709014517 15.999 > 13 14 O 0.65170021327848 0.06655485574316 0.09751709014517 15.999 > 13 15 O 0.15170021327848 0.06655485574316 0.59751709014517 15.999 > 13 16 O 0.65170021327848 0.06655485574316 0.59751709014517 15.999 > 13 17 O 0.15170021327848 0.43344514425684 0.09751709014517 15.999 > 17 18 O 0.65170021327848 0.43344514425684 0.09751709014517 15.999 > 17 19 O 0.15170021327848 0.43344514425684 0.59751709014517 15.999 > 17 20 O 0.65170021327848 0.43344514425684 0.59751709014517 15.999 > 17 21 O 0.09829978672152 0.56655485574316 0.34751709014517 15.999 > 21 22 O 0.59829978672152 0.56655485574316 0.34751709014517 15.999 > 21 23 O 0.09829978672152 0.56655485574316 0.84751709014517 15.999 > 21 24 O 0.59829978672152 0.56655485574316 0.84751709014517 15.999 > 21 25 O 0.40170021327848 0.06655485574316 0.15248290985483 15.999 > 25 26 O 0.90170021327848 0.06655485574316 0.15248290985483 15.999 > 25 27 O 0.40170021327848 0.06655485574316 0.65248290985483 15.999 > 25 28 O 0.90170021327848 0.06655485574316 0.65248290985483 15.999 > 25 29 O 0.34829978672152 0.93344514425684 0.40248290985483 15.999 > 29 30 O 0.84829978672152 0.93344514425684 0.40248290985483 15.999 > 29 31 O 0.34829978672152 0.93344514425684 0.90248290985483 15.999 > 29 32 O 0.84829978672152 0.93344514425684 0.90248290985483 15.999 > 29 33 O 0.22311237171036 0.25000000000000 0.31214880629162 15.999 > 33 34 O 0.72311237171036 0.25000000000000 0.31214880629162 15.999 > 33 35 O 0.22311237171036 0.25000000000000 0.81214880629162 15.999 > 33 36 O 0.72311237171036 0.25000000000000 0.81214880629162 15.999 > 33 37 O 0.02688762828964 0.75000000000000 0.06214880629162 15.999 > 37 38 O 0.52688762828964 0.75000000000000 0.06214880629162 15.999 > 37 39 O 0.02688762828964 0.75000000000000 0.56214880629162 15.999 > 37 40 O 0.52688762828964 0.75000000000000 0.56214880629162 15.999 > 37 41 O 0.47311237171036 0.25000000000000 0.43785119370838 15.999 > 41 42 O 0.97311237171036 0.25000000000000 0.43785119370838 15.999 > 41 43 O 0.47311237171036 0.25000000000000 0.93785119370838 15.999 > 41 44 O 0.97311237171036 0.25000000000000 0.93785119370838 15.999 > 41 45 O 0.27688762828964 0.75000000000000 0.18785119370838 15.999 > 45 46 O 0.77688762828964 0.75000000000000 0.18785119370838 15.999 > 45 47 O 0.27688762828964 0.75000000000000 0.68785119370838 15.999 > 45 48 O 0.77688762828964 0.75000000000000 0.68785119370838 15.999 > 45 49 La 0.02503306895131 0.25000000000000 0.24204922523519 138.905 > 49 50 La 0.52503306895131 0.25000000000000 0.24204922523519 138.905 > 49 51 La 0.02503306895131 0.25000000000000 0.74204922523519 138.905 > 49 52 La 0.52503306895131 0.25000000000000 0.74204922523519 138.905 > 49 53 La 0.22496693104869 0.75000000000000 0.49204922523519 138.905 > 53 54 La 0.72496693104869 0.75000000000000 0.49204922523519 138.905 > 53 55 La 0.22496693104869 0.75000000000000 0.99204922523519 138.905 > 53 56 La 0.72496693104869 0.75000000000000 0.99204922523519 138.905 > 53 57 La 0.27503306895131 0.25000000000000 0.00795077476481 138.905 > 57 58 La 0.77503306895131 0.25000000000000 0.00795077476481 138.905 > 57 59 La 0.27503306895131 0.25000000000000 0.50795077476481 138.905 > 57 60 La 0.77503306895131 0.25000000000000 0.50795077476481 138.905 > 57 61 La 0.47496693104869 0.75000000000000 0.25795077476481 138.905 > 61 62 La 0.97496693104869 0.75000000000000 0.25795077476481 138.905 > 61 63 La 0.47496693104869 0.75000000000000 0.75795077476481 138.905 > 61 64 La 0.97496693104869 0.75000000000000 0.75795077476481 138.905 > 61 65 Tm 0.25000000000000 0.00000000000000 0.25000000000000 168.934 > 65 66 Tm 0.75000000000000 0.00000000000000 0.25000000000000 168.934 > 65 67 Tm 0.25000000000000 0.00000000000000 0.75000000000000 168.934 > 65 68 Tm 0.75000000000000 0.00000000000000 0.75000000000000 168.934 > 65 69 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 69 70 Tm 0.50000000000000 0.00000000000000 0.00000000000000 168.934 > 69 71 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 69 72 Tm 0.50000000000000 0.00000000000000 0.50000000000000 168.934 > 69 73 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 > 73 74 Tm 0.50000000000000 0.50000000000000 0.00000000000000 168.934 > 73 75 Tm 0.00000000000000 0.50000000000000 0.50000000000000 168.934 > 73 76 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 > 73 77 Tm 0.25000000000000 0.50000000000000 0.25000000000000 168.934 > 77 78 Tm 0.75000000000000 0.50000000000000 0.25000000000000 168.934 > 77 79 Tm 0.25000000000000 0.50000000000000 0.75000000000000 168.934 > 77 80 Tm 0.75000000000000 0.50000000000000 0.75000000000000 168.934 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6938416 0.0000000 0.0000000 0.0000000 4.5070344 0.0000000 0.0000000 0.0000000 4.7613059 -------------------------- Born effective charges -------------------------- 1 O -2.9024052 0.2593491 -0.2483778 0.3279827 -2.3457061 -0.1059364 -0.2303405 -0.0889700 -2.7165779 2 O -2.9024052 0.2593491 0.2483778 0.3279827 -2.3457061 0.1059364 0.2303405 0.0889700 -2.7165779 3 O -2.9024052 -0.2593491 0.2483778 -0.3279827 -2.3457061 -0.1059364 0.2303405 -0.0889700 -2.7165779 4 O -2.9024052 -0.2593491 -0.2483778 -0.3279827 -2.3457061 0.1059364 -0.2303405 0.0889700 -2.7165779 5 O -2.9024052 0.2593491 -0.2483778 0.3279827 -2.3457061 -0.1059364 -0.2303405 -0.0889700 -2.7165779 6 O -2.9024052 0.2593491 0.2483778 0.3279827 -2.3457061 0.1059364 0.2303405 0.0889700 -2.7165779 7 O -2.9024052 -0.2593491 0.2483778 -0.3279827 -2.3457061 -0.1059364 0.2303405 -0.0889700 -2.7165779 8 O -2.9024052 -0.2593491 -0.2483778 -0.3279827 -2.3457061 0.1059364 -0.2303405 0.0889700 -2.7165779 9 O -2.3383565 0.0000000 -0.4646530 0.0000000 -2.8946671 0.0000000 -0.5082873 0.0000000 -2.9040252 10 O -2.3383565 0.0000000 0.4646530 0.0000000 -2.8946671 0.0000000 0.5082873 0.0000000 -2.9040252 11 O -2.3383565 0.0000000 0.4646530 0.0000000 -2.8946671 0.0000000 0.5082873 0.0000000 -2.9040252 12 O -2.3383565 0.0000000 -0.4646530 0.0000000 -2.8946671 0.0000000 -0.5082873 0.0000000 -2.9040252 13 La 4.2477510 0.0000000 0.1371738 0.0000000 3.7268992 0.0000000 0.3512251 0.0000000 4.3950766 14 La 4.2477510 0.0000000 -0.1371738 0.0000000 3.7268992 0.0000000 -0.3512251 0.0000000 4.3950766 15 La 4.2477510 0.0000000 -0.1371738 0.0000000 3.7268992 0.0000000 -0.3512251 0.0000000 4.3950766 16 La 4.2477510 0.0000000 0.1371738 0.0000000 3.7268992 0.0000000 0.3512251 0.0000000 4.3950766 17 Tm 3.8954158 -0.1896957 -0.2206613 -0.1175191 3.8591801 -0.2760996 -0.0836894 -0.0799408 3.9421043 18 Tm 3.8954158 -0.1896957 0.2206613 -0.1175191 3.8591801 0.2760996 0.0836894 0.0799408 3.9421043 19 Tm 3.8954158 0.1896957 0.2206613 0.1175191 3.8591801 -0.2760996 0.0836894 -0.0799408 3.9421043 20 Tm 3.8954158 0.1896957 -0.2206613 0.1175191 3.8591801 0.2760996 -0.0836894 0.0799408 3.9421043 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (yx) -0.00000005 (yx) 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 00:15:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:15:57]------------------------- 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 5.984219550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.347822310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.792260170000000 Atomic positions (fractional): 1 O 0.69659957344304 0.56655485574316 0.80496581970966 15.999 2 O 0.80340042655696 0.43344514425684 0.30496581970966 15.999 3 O 0.19659957344304 0.93344514425684 0.69503418029034 15.999 4 O 0.30340042655696 0.06655485574316 0.19503418029034 15.999 5 O 0.30340042655696 0.43344514425684 0.19503418029034 15.999 6 O 0.19659957344304 0.56655485574316 0.69503418029034 15.999 7 O 0.80340042655696 0.06655485574316 0.30496581970966 15.999 8 O 0.69659957344304 0.93344514425684 0.80496581970966 15.999 9 O 0.44622474342072 0.25000000000000 0.62429761258324 15.999 10 O 0.05377525657928 0.75000000000000 0.12429761258324 15.999 11 O 0.94622474342072 0.25000000000000 0.87570238741676 15.999 12 O 0.55377525657928 0.75000000000000 0.37570238741676 15.999 13 La 0.05006613790263 0.25000000000000 0.48409845047038 138.905 14 La 0.44993386209737 0.75000000000000 0.98409845047038 138.905 15 La 0.55006613790263 0.25000000000000 0.01590154952962 138.905 16 La 0.94993386209737 0.75000000000000 0.51590154952962 138.905 17 Tm 0.50000000000000 0.00000000000000 0.50000000000000 168.934 18 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 19 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 20 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.968439099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.347822310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.584520339999999 Atomic positions (fractional): 1 O 0.34829978672152 0.56655485574316 0.40248290985483 15.999 > 1 2 O 0.84829978672152 0.56655485574316 0.40248290985483 15.999 > 1 3 O 0.34829978672152 0.56655485574316 0.90248290985483 15.999 > 1 4 O 0.84829978672152 0.56655485574316 0.90248290985483 15.999 > 1 5 O 0.40170021327848 0.43344514425684 0.15248290985483 15.999 > 5 6 O 0.90170021327848 0.43344514425684 0.15248290985483 15.999 > 5 7 O 0.40170021327848 0.43344514425684 0.65248290985483 15.999 > 5 8 O 0.90170021327848 0.43344514425684 0.65248290985483 15.999 > 5 9 O 0.09829978672152 0.93344514425684 0.34751709014517 15.999 > 9 10 O 0.59829978672152 0.93344514425684 0.34751709014517 15.999 > 9 11 O 0.09829978672152 0.93344514425684 0.84751709014517 15.999 > 9 12 O 0.59829978672152 0.93344514425684 0.84751709014517 15.999 > 9 13 O 0.15170021327848 0.06655485574316 0.09751709014517 15.999 > 13 14 O 0.65170021327848 0.06655485574316 0.09751709014517 15.999 > 13 15 O 0.15170021327848 0.06655485574316 0.59751709014517 15.999 > 13 16 O 0.65170021327848 0.06655485574316 0.59751709014517 15.999 > 13 17 O 0.15170021327848 0.43344514425684 0.09751709014517 15.999 > 17 18 O 0.65170021327848 0.43344514425684 0.09751709014517 15.999 > 17 19 O 0.15170021327848 0.43344514425684 0.59751709014517 15.999 > 17 20 O 0.65170021327848 0.43344514425684 0.59751709014517 15.999 > 17 21 O 0.09829978672152 0.56655485574316 0.34751709014517 15.999 > 21 22 O 0.59829978672152 0.56655485574316 0.34751709014517 15.999 > 21 23 O 0.09829978672152 0.56655485574316 0.84751709014517 15.999 > 21 24 O 0.59829978672152 0.56655485574316 0.84751709014517 15.999 > 21 25 O 0.40170021327848 0.06655485574316 0.15248290985483 15.999 > 25 26 O 0.90170021327848 0.06655485574316 0.15248290985483 15.999 > 25 27 O 0.40170021327848 0.06655485574316 0.65248290985483 15.999 > 25 28 O 0.90170021327848 0.06655485574316 0.65248290985483 15.999 > 25 29 O 0.34829978672152 0.93344514425684 0.40248290985483 15.999 > 29 30 O 0.84829978672152 0.93344514425684 0.40248290985483 15.999 > 29 31 O 0.34829978672152 0.93344514425684 0.90248290985483 15.999 > 29 32 O 0.84829978672152 0.93344514425684 0.90248290985483 15.999 > 29 33 O 0.22311237171036 0.25000000000000 0.31214880629162 15.999 > 33 34 O 0.72311237171036 0.25000000000000 0.31214880629162 15.999 > 33 35 O 0.22311237171036 0.25000000000000 0.81214880629162 15.999 > 33 36 O 0.72311237171036 0.25000000000000 0.81214880629162 15.999 > 33 37 O 0.02688762828964 0.75000000000000 0.06214880629162 15.999 > 37 38 O 0.52688762828964 0.75000000000000 0.06214880629162 15.999 > 37 39 O 0.02688762828964 0.75000000000000 0.56214880629162 15.999 > 37 40 O 0.52688762828964 0.75000000000000 0.56214880629162 15.999 > 37 41 O 0.47311237171036 0.25000000000000 0.43785119370838 15.999 > 41 42 O 0.97311237171036 0.25000000000000 0.43785119370838 15.999 > 41 43 O 0.47311237171036 0.25000000000000 0.93785119370838 15.999 > 41 44 O 0.97311237171036 0.25000000000000 0.93785119370838 15.999 > 41 45 O 0.27688762828964 0.75000000000000 0.18785119370838 15.999 > 45 46 O 0.77688762828964 0.75000000000000 0.18785119370838 15.999 > 45 47 O 0.27688762828964 0.75000000000000 0.68785119370838 15.999 > 45 48 O 0.77688762828964 0.75000000000000 0.68785119370838 15.999 > 45 49 La 0.02503306895131 0.25000000000000 0.24204922523519 138.905 > 49 50 La 0.52503306895131 0.25000000000000 0.24204922523519 138.905 > 49 51 La 0.02503306895131 0.25000000000000 0.74204922523519 138.905 > 49 52 La 0.52503306895131 0.25000000000000 0.74204922523519 138.905 > 49 53 La 0.22496693104869 0.75000000000000 0.49204922523519 138.905 > 53 54 La 0.72496693104869 0.75000000000000 0.49204922523519 138.905 > 53 55 La 0.22496693104869 0.75000000000000 0.99204922523519 138.905 > 53 56 La 0.72496693104869 0.75000000000000 0.99204922523519 138.905 > 53 57 La 0.27503306895131 0.25000000000000 0.00795077476481 138.905 > 57 58 La 0.77503306895131 0.25000000000000 0.00795077476481 138.905 > 57 59 La 0.27503306895131 0.25000000000000 0.50795077476481 138.905 > 57 60 La 0.77503306895131 0.25000000000000 0.50795077476481 138.905 > 57 61 La 0.47496693104869 0.75000000000000 0.25795077476481 138.905 > 61 62 La 0.97496693104869 0.75000000000000 0.25795077476481 138.905 > 61 63 La 0.47496693104869 0.75000000000000 0.75795077476481 138.905 > 61 64 La 0.97496693104869 0.75000000000000 0.75795077476481 138.905 > 61 65 Tm 0.25000000000000 0.00000000000000 0.25000000000000 168.934 > 65 66 Tm 0.75000000000000 0.00000000000000 0.25000000000000 168.934 > 65 67 Tm 0.25000000000000 0.00000000000000 0.75000000000000 168.934 > 65 68 Tm 0.75000000000000 0.00000000000000 0.75000000000000 168.934 > 65 69 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 69 70 Tm 0.50000000000000 0.00000000000000 0.00000000000000 168.934 > 69 71 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 69 72 Tm 0.50000000000000 0.00000000000000 0.50000000000000 168.934 > 69 73 Tm 0.00000000000000 0.50000000000000 0.00000000000000 168.934 > 73 74 Tm 0.50000000000000 0.50000000000000 0.00000000000000 168.934 > 73 75 Tm 0.00000000000000 0.50000000000000 0.50000000000000 168.934 > 73 76 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 > 73 77 Tm 0.25000000000000 0.50000000000000 0.25000000000000 168.934 > 77 78 Tm 0.75000000000000 0.50000000000000 0.25000000000000 168.934 > 77 79 Tm 0.25000000000000 0.50000000000000 0.75000000000000 168.934 > 77 80 Tm 0.75000000000000 0.50000000000000 0.75000000000000 168.934 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6938416 0.0000000 0.0000000 0.0000000 4.5070344 0.0000000 0.0000000 0.0000000 4.7613059 -------------------------- Born effective charges -------------------------- 1 O -2.9024052 0.2593491 -0.2483778 0.3279827 -2.3457061 -0.1059364 -0.2303405 -0.0889700 -2.7165779 2 O -2.9024052 0.2593491 0.2483778 0.3279827 -2.3457061 0.1059364 0.2303405 0.0889700 -2.7165779 3 O -2.9024052 -0.2593491 0.2483778 -0.3279827 -2.3457061 -0.1059364 0.2303405 -0.0889700 -2.7165779 4 O -2.9024052 -0.2593491 -0.2483778 -0.3279827 -2.3457061 0.1059364 -0.2303405 0.0889700 -2.7165779 5 O -2.9024052 0.2593491 -0.2483778 0.3279827 -2.3457061 -0.1059364 -0.2303405 -0.0889700 -2.7165779 6 O -2.9024052 0.2593491 0.2483778 0.3279827 -2.3457061 0.1059364 0.2303405 0.0889700 -2.7165779 7 O -2.9024052 -0.2593491 0.2483778 -0.3279827 -2.3457061 -0.1059364 0.2303405 -0.0889700 -2.7165779 8 O -2.9024052 -0.2593491 -0.2483778 -0.3279827 -2.3457061 0.1059364 -0.2303405 0.0889700 -2.7165779 9 O -2.3383565 0.0000000 -0.4646530 0.0000000 -2.8946671 0.0000000 -0.5082873 0.0000000 -2.9040252 10 O -2.3383565 0.0000000 0.4646530 0.0000000 -2.8946671 0.0000000 0.5082873 0.0000000 -2.9040252 11 O -2.3383565 0.0000000 0.4646530 0.0000000 -2.8946671 0.0000000 0.5082873 0.0000000 -2.9040252 12 O -2.3383565 0.0000000 -0.4646530 0.0000000 -2.8946671 0.0000000 -0.5082873 0.0000000 -2.9040252 13 La 4.2477510 0.0000000 0.1371738 0.0000000 3.7268992 0.0000000 0.3512251 0.0000000 4.3950766 14 La 4.2477510 0.0000000 -0.1371738 0.0000000 3.7268992 0.0000000 -0.3512251 0.0000000 4.3950766 15 La 4.2477510 0.0000000 -0.1371738 0.0000000 3.7268992 0.0000000 -0.3512251 0.0000000 4.3950766 16 La 4.2477510 0.0000000 0.1371738 0.0000000 3.7268992 0.0000000 0.3512251 0.0000000 4.3950766 17 Tm 3.8954158 -0.1896957 -0.2206613 -0.1175191 3.8591801 -0.2760996 -0.0836894 -0.0799408 3.9421043 18 Tm 3.8954158 -0.1896957 0.2206613 -0.1175191 3.8591801 0.2760996 0.0836894 0.0799408 3.9421043 19 Tm 3.8954158 0.1896957 0.2206613 0.1175191 3.8591801 -0.2760996 0.0836894 -0.0799408 3.9421043 20 Tm 3.8954158 0.1896957 -0.2206613 0.1175191 3.8591801 0.2760996 -0.0836894 0.0799408 3.9421043 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 307, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 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 2.189 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 4.727 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.331 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 9.002 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.510 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 10.156 ( 0.000 0.000 0.000) 0.000 10.677 ( 0.000 0.000 0.000) 0.000 11.073 ( 0.000 0.000 0.000) 0.000 11.452 ( 0.000 0.000 0.000) 0.000 11.574 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 12.152 ( 0.000 0.000 0.000) 0.000 12.718 ( 0.000 0.000 0.000) 0.000 13.142 ( 0.000 0.000 0.000) 0.000 13.185 ( 0.000 0.000 0.000) 0.000 13.379 ( 0.000 0.000 0.000) 0.000 13.662 ( 0.000 0.000 0.000) 0.000 14.027 ( 0.000 0.000 0.000) 0.000 14.146 ( 0.000 0.000 0.000) 0.000 14.520 ( 0.000 0.000 0.000) 0.000 14.649 ( 0.000 0.000 0.000) 0.000 15.029 ( 0.000 0.000 0.000) 0.000 15.175 ( 0.000 0.000 0.000) 0.000 17.078 ( 0.000 0.000 0.000) 0.000 18.763 ( 0.000 0.000 0.000) 0.000 18.843 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 28.389 0.000 0.000) 28.389 0.644 ( 30.309 0.000 0.000) 30.309 1.177 ( 54.844 0.000 0.000) 54.844 2.239 ( 3.733 0.000 0.000) 3.733 2.331 ( -2.853 0.000 0.000) 2.853 2.493 ( 18.026 0.000 0.000) 18.026 2.619 ( 2.143 0.000 0.000) 2.143 2.777 ( -9.846 0.000 0.000) 9.846 2.940 ( -17.606 0.000 0.000) 17.606 2.967 ( -8.460 0.000 0.000) 8.460 3.170 ( -3.797 0.000 0.000) 3.797 3.178 ( -4.902 0.000 0.000) 4.902 3.310 ( -3.979 0.000 0.000) 3.979 3.433 ( 3.128 0.000 0.000) 3.128 3.708 ( 9.094 0.000 0.000) 9.094 3.930 ( 12.349 0.000 0.000) 12.349 4.125 ( -20.337 0.000 0.000) 20.337 4.342 ( -3.207 0.000 0.000) 3.207 4.570 ( 5.955 0.000 0.000) 5.955 4.739 ( 1.049 0.000 0.000) 1.049 4.831 ( -3.571 0.000 0.000) 3.571 4.929 ( 11.730 0.000 0.000) 11.730 5.222 ( 10.066 0.000 0.000) 10.066 5.312 ( -3.639 0.000 0.000) 3.639 5.946 ( 1.273 0.000 0.000) 1.273 5.971 ( 3.414 0.000 0.000) 3.414 6.063 ( -7.003 0.000 0.000) 7.003 6.321 ( 3.416 0.000 0.000) 3.416 6.503 ( -9.786 0.000 0.000) 9.786 7.208 ( -3.179 0.000 0.000) 3.179 7.392 ( 4.915 0.000 0.000) 4.915 7.477 ( -4.972 0.000 0.000) 4.972 7.789 ( -2.089 0.000 0.000) 2.089 8.644 ( -3.785 0.000 0.000) 3.785 9.056 ( 4.983 0.000 0.000) 4.983 9.278 ( 9.128 0.000 0.000) 9.128 9.364 ( -2.948 0.000 0.000) 2.948 9.400 ( -6.611 0.000 0.000) 6.611 9.944 ( 12.445 0.000 0.000) 12.445 10.607 ( -6.401 0.000 0.000) 6.401 10.699 ( -21.629 0.000 0.000) 21.629 11.357 ( -8.514 0.000 0.000) 8.514 11.403 ( -13.181 0.000 0.000) 13.181 11.624 ( 4.379 0.000 0.000) 4.379 12.179 ( 10.300 0.000 0.000) 10.300 12.356 ( 19.790 0.000 0.000) 19.790 12.737 ( 1.346 0.000 0.000) 1.346 13.238 ( 8.946 0.000 0.000) 8.946 13.251 ( 5.753 0.000 0.000) 5.753 13.695 ( 3.324 0.000 0.000) 3.324 13.897 ( 2.658 0.000 0.000) 2.658 14.154 ( 0.601 0.000 0.000) 0.601 14.440 ( -5.124 0.000 0.000) 5.124 14.712 ( 3.512 0.000 0.000) 3.512 14.977 ( -4.961 0.000 0.000) 4.961 15.144 ( -2.945 0.000 0.000) 2.945 17.131 ( 5.224 0.000 0.000) 5.224 17.963 ( 1.553 0.000 0.000) 1.553 18.727 ( -3.455 0.000 0.000) 3.455 18.794 ( -4.744 0.000 0.000) 4.744 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 23.943 0.000 0.000) 23.943 1.253 ( 27.482 0.000 0.000) 27.482 2.226 ( -8.215 0.000 0.000) 8.215 2.230 ( 41.477 0.000 0.000) 41.477 2.245 ( -5.354 0.000 0.000) 5.354 2.468 ( -19.275 0.000 0.000) 19.275 2.649 ( 1.116 0.000 0.000) 1.116 2.654 ( 0.726 0.000 0.000) 0.726 2.785 ( -3.145 0.000 0.000) 3.145 2.976 ( 17.577 0.000 0.000) 17.577 3.040 ( -8.314 0.000 0.000) 8.314 3.112 ( -1.309 0.000 0.000) 1.309 3.283 ( 1.737 0.000 0.000) 1.737 3.502 ( 5.671 0.000 0.000) 5.671 3.654 ( -22.103 0.000 0.000) 22.103 3.939 ( 12.064 0.000 0.000) 12.064 4.146 ( -13.031 0.000 0.000) 13.031 4.238 ( 13.911 0.000 0.000) 13.911 4.766 ( 1.401 0.000 0.000) 1.401 4.799 ( 0.060 0.000 0.000) 0.060 4.806 ( 13.998 0.000 0.000) 13.998 5.118 ( 6.193 0.000 0.000) 6.193 5.194 ( -7.539 0.000 0.000) 7.539 5.311 ( -2.357 0.000 0.000) 2.357 5.898 ( -9.043 0.000 0.000) 9.043 5.943 ( -3.527 0.000 0.000) 3.527 6.147 ( 13.511 0.000 0.000) 13.511 6.256 ( -11.267 0.000 0.000) 11.267 6.344 ( -1.048 0.000 0.000) 1.048 7.127 ( -3.755 0.000 0.000) 3.755 7.330 ( -8.922 0.000 0.000) 8.922 7.411 ( -4.856 0.000 0.000) 4.856 7.857 ( 9.945 0.000 0.000) 9.945 8.549 ( -4.929 0.000 0.000) 4.929 9.204 ( 9.005 0.000 0.000) 9.005 9.268 ( -5.867 0.000 0.000) 5.867 9.283 ( -4.690 0.000 0.000) 4.690 9.524 ( 13.282 0.000 0.000) 13.282 10.205 ( 11.358 0.000 0.000) 11.358 10.340 ( -11.746 0.000 0.000) 11.746 10.432 ( -9.468 0.000 0.000) 9.468 11.094 ( -15.755 0.000 0.000) 15.755 11.140 ( -10.712 0.000 0.000) 10.712 11.576 ( -6.913 0.000 0.000) 6.913 12.394 ( 9.591 0.000 0.000) 9.591 12.756 ( 0.266 0.000 0.000) 0.266 12.849 ( 23.975 0.000 0.000) 23.975 13.393 ( 6.998 0.000 0.000) 6.998 13.489 ( 14.070 0.000 0.000) 14.070 13.809 ( 7.699 0.000 0.000) 7.699 13.978 ( 5.119 0.000 0.000) 5.119 14.160 ( -0.371 0.000 0.000) 0.371 14.350 ( -3.119 0.000 0.000) 3.119 14.759 ( 0.833 0.000 0.000) 0.833 14.823 ( -9.614 0.000 0.000) 9.614 15.052 ( -5.760 0.000 0.000) 5.760 17.306 ( 11.658 0.000 0.000) 11.658 18.018 ( 3.756 0.000 0.000) 3.756 18.621 ( -6.532 0.000 0.000) 6.532 18.639 ( -10.205 0.000 0.000) 10.205 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 17.997 0.000 0.000) 17.997 1.742 ( 15.680 0.000 0.000) 15.680 1.984 ( -11.306 0.000 0.000) 11.306 2.112 ( -7.404 0.000 0.000) 7.404 2.161 ( -4.740 0.000 0.000) 4.740 2.522 ( 0.359 0.000 0.000) 0.359 2.646 ( -1.494 0.000 0.000) 1.494 2.677 ( -6.905 0.000 0.000) 6.905 2.910 ( 1.638 0.000 0.000) 1.638 2.987 ( 1.904 0.000 0.000) 1.904 3.147 ( -0.921 0.000 0.000) 0.921 3.223 ( -15.987 0.000 0.000) 15.987 3.377 ( 31.756 0.000 0.000) 31.756 3.385 ( 5.828 0.000 0.000) 5.828 3.770 ( 18.102 0.000 0.000) 18.102 3.875 ( -10.161 0.000 0.000) 10.161 4.153 ( 6.243 0.000 0.000) 6.243 4.422 ( -0.018 0.000 0.000) 0.018 4.805 ( 3.077 0.000 0.000) 3.077 4.822 ( 2.015 0.000 0.000) 2.015 5.019 ( -8.297 0.000 0.000) 8.297 5.103 ( 13.865 0.000 0.000) 13.865 5.165 ( -10.184 0.000 0.000) 10.184 5.215 ( 4.983 0.000 0.000) 4.983 5.681 ( -11.529 0.000 0.000) 11.529 5.721 ( -15.046 0.000 0.000) 15.046 6.157 ( 0.809 0.000 0.000) 0.809 6.293 ( -3.430 0.000 0.000) 3.430 6.479 ( 16.919 0.000 0.000) 16.919 7.082 ( -0.130 0.000 0.000) 0.130 7.108 ( -12.269 0.000 0.000) 12.269 7.260 ( -7.790 0.000 0.000) 7.790 8.109 ( 11.973 0.000 0.000) 11.973 8.444 ( -5.314 0.000 0.000) 5.314 9.157 ( -3.675 0.000 0.000) 3.675 9.197 ( -3.664 0.000 0.000) 3.664 9.422 ( 11.580 0.000 0.000) 11.580 9.751 ( 4.977 0.000 0.000) 4.977 10.211 ( -1.065 0.000 0.000) 1.065 10.282 ( -1.596 0.000 0.000) 1.596 10.347 ( 0.438 0.000 0.000) 0.438 10.758 ( -16.158 0.000 0.000) 16.158 11.007 ( 0.492 0.000 0.000) 0.492 11.383 ( -10.876 0.000 0.000) 10.876 12.567 ( 6.890 0.000 0.000) 6.890 12.742 ( -1.725 0.000 0.000) 1.725 13.276 ( 15.866 0.000 0.000) 15.866 13.507 ( 3.142 0.000 0.000) 3.142 13.780 ( 12.884 0.000 0.000) 12.884 14.016 ( 11.933 0.000 0.000) 11.933 14.106 ( 6.811 0.000 0.000) 6.811 14.124 ( -3.405 0.000 0.000) 3.405 14.305 ( -1.827 0.000 0.000) 1.827 14.583 ( -13.063 0.000 0.000) 13.063 14.759 ( -0.122 0.000 0.000) 0.122 14.915 ( -6.919 0.000 0.000) 6.919 17.613 ( 17.334 0.000 0.000) 17.334 18.124 ( 6.445 0.000 0.000) 6.445 18.367 ( -15.683 0.000 0.000) 15.683 18.462 ( -8.460 0.000 0.000) 8.460 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -2.180 0.000 0.000) 2.180 1.837 ( 2.180 0.000 0.000) 2.180 1.917 ( -11.828 0.000 0.000) 11.828 1.917 ( 11.828 0.000 0.000) 11.828 2.381 ( -17.369 0.000 0.000) 17.369 2.381 ( 17.369 0.000 0.000) 17.369 2.579 ( -4.528 0.000 0.000) 4.528 2.579 ( 4.528 0.000 0.000) 4.528 3.009 ( -3.813 0.000 0.000) 3.813 3.009 ( 3.813 0.000 0.000) 3.813 3.045 ( -7.306 0.000 0.000) 7.306 3.045 ( 7.306 0.000 0.000) 7.306 3.548 ( -8.560 0.000 0.000) 8.560 3.548 ( 8.560 0.000 0.000) 8.560 4.105 ( -11.148 0.000 0.000) 11.148 4.105 ( 11.148 0.000 0.000) 11.148 4.143 ( -24.701 0.000 0.000) 24.701 4.143 ( 24.701 0.000 0.000) 24.701 4.884 ( -3.957 0.000 0.000) 3.957 4.884 ( 3.957 0.000 0.000) 3.957 4.942 ( -9.535 0.000 0.000) 9.535 4.942 ( 9.535 0.000 0.000) 9.535 5.341 ( -2.039 0.000 0.000) 2.039 5.341 ( 2.039 0.000 0.000) 2.039 5.475 ( -0.185 0.000 0.000) 0.185 5.475 ( 0.185 0.000 0.000) 0.185 6.214 ( -3.788 0.000 0.000) 3.788 6.214 ( 3.788 0.000 0.000) 3.788 6.820 ( -15.279 0.000 0.000) 15.279 6.820 ( 15.279 0.000 0.000) 15.279 7.127 ( -4.464 0.000 0.000) 4.464 7.127 ( 4.464 0.000 0.000) 4.464 8.314 ( -7.586 0.000 0.000) 7.586 8.314 ( 7.586 0.000 0.000) 7.586 9.137 ( -1.537 0.000 0.000) 1.537 9.137 ( 1.537 0.000 0.000) 1.537 9.663 ( -10.385 0.000 0.000) 10.385 9.663 ( 10.385 0.000 0.000) 10.385 10.266 ( -5.245 0.000 0.000) 5.245 10.266 ( 5.245 0.000 0.000) 5.245 10.437 ( -13.680 0.000 0.000) 13.680 10.437 ( 13.680 0.000 0.000) 13.680 11.149 ( -10.673 0.000 0.000) 10.673 11.149 ( 10.673 0.000 0.000) 10.673 12.681 ( -4.121 0.000 0.000) 4.121 12.681 ( 4.121 0.000 0.000) 4.121 13.494 ( -5.094 0.000 0.000) 5.094 13.494 ( 5.094 0.000 0.000) 5.094 14.003 ( -8.214 0.000 0.000) 8.214 14.003 ( 8.214 0.000 0.000) 8.214 14.238 ( -5.079 0.000 0.000) 5.079 14.238 ( 5.079 0.000 0.000) 5.079 14.295 ( -14.072 0.000 0.000) 14.072 14.295 ( 14.072 0.000 0.000) 14.072 14.793 ( -3.988 0.000 0.000) 3.988 14.793 ( 3.988 0.000 0.000) 3.988 18.000 ( -18.842 0.000 0.000) 18.842 18.000 ( 18.842 0.000 0.000) 18.842 18.282 ( -8.413 0.000 0.000) 8.413 18.282 ( 8.413 0.000 0.000) 8.413 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.000 28.355 0.000) 28.355 0.610 ( 0.000 30.041 0.000) 30.041 1.028 ( 0.000 48.368 0.000) 48.368 2.100 ( 0.000 -11.670 0.000) 11.670 2.187 ( 0.000 -1.994 0.000) 1.994 2.650 ( 0.000 5.591 0.000) 5.591 2.659 ( 0.000 -18.368 0.000) 18.368 2.860 ( 0.000 -17.011 0.000) 17.011 2.944 ( 0.000 4.286 0.000) 4.286 3.172 ( 0.000 -4.795 0.000) 4.795 3.299 ( 0.000 6.695 0.000) 6.695 3.394 ( 0.000 4.365 0.000) 4.365 3.417 ( 0.000 12.352 0.000) 12.352 3.628 ( 0.000 1.879 0.000) 1.879 3.742 ( 0.000 -2.364 0.000) 2.364 4.084 ( 0.000 16.307 0.000) 16.307 4.143 ( 0.000 -0.814 0.000) 0.814 4.207 ( 0.000 -17.756 0.000) 17.756 4.312 ( 0.000 -0.581 0.000) 0.581 4.645 ( 0.000 -6.778 0.000) 6.778 4.860 ( 0.000 10.816 0.000) 10.816 5.003 ( 0.000 -2.409 0.000) 2.409 5.411 ( 0.000 -7.753 0.000) 7.753 5.524 ( 0.000 14.556 0.000) 14.556 5.870 ( 0.000 -5.888 0.000) 5.888 6.138 ( 0.000 -2.670 0.000) 2.670 6.179 ( 0.000 -0.803 0.000) 0.803 6.556 ( 0.000 -5.529 0.000) 5.529 6.654 ( 0.000 5.249 0.000) 5.249 6.742 ( 0.000 5.221 0.000) 5.221 7.228 ( 0.000 -1.029 0.000) 1.029 7.307 ( 0.000 -2.091 0.000) 2.091 7.464 ( 0.000 -5.810 0.000) 5.810 7.765 ( 0.000 -5.880 0.000) 5.880 8.738 ( 0.000 4.758 0.000) 4.758 9.121 ( 0.000 10.007 0.000) 10.007 9.471 ( 0.000 -2.836 0.000) 2.836 9.806 ( 0.000 3.123 0.000) 3.123 10.185 ( 0.000 3.080 0.000) 3.080 10.752 ( 0.000 7.228 0.000) 7.228 10.967 ( 0.000 -9.838 0.000) 9.838 11.433 ( 0.000 -1.698 0.000) 1.698 11.544 ( 0.000 -2.938 0.000) 2.938 11.749 ( 0.000 -15.211 0.000) 15.211 12.202 ( 0.000 15.795 0.000) 15.795 12.548 ( 0.000 23.435 0.000) 23.435 13.129 ( 0.000 1.805 0.000) 1.805 13.238 ( 0.000 4.951 0.000) 4.951 13.361 ( 0.000 -1.768 0.000) 1.768 13.685 ( 0.000 2.086 0.000) 2.086 13.963 ( 0.000 -6.409 0.000) 6.409 14.049 ( 0.000 -9.563 0.000) 9.563 14.492 ( 0.000 -2.682 0.000) 2.682 14.593 ( 0.000 -5.275 0.000) 5.275 15.039 ( 0.000 1.027 0.000) 1.027 15.165 ( 0.000 -0.908 0.000) 0.908 16.538 ( 0.000 2.843 0.000) 2.843 17.030 ( 0.000 -4.660 0.000) 4.660 18.751 ( 0.000 -1.067 0.000) 1.067 18.816 ( 0.000 -2.436 0.000) 2.436 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 17.295 15.829 0.000) 23.445 0.884 ( 20.259 19.093 0.000) 27.839 1.546 ( 40.787 30.971 0.000) 51.213 2.089 ( -0.224 -13.203 0.000) 13.205 2.207 ( 1.747 -4.108 0.000) 4.464 2.595 ( -6.321 -13.765 0.000) 15.147 2.653 ( -0.347 2.290 0.000) 2.316 2.826 ( -9.526 5.039 0.000) 10.776 2.843 ( -1.034 -13.311 0.000) 13.351 3.097 ( -13.377 17.981 0.000) 22.411 3.134 ( -3.547 -3.034 0.000) 4.668 3.312 ( -4.508 12.412 0.000) 13.205 3.375 ( -0.329 6.953 0.000) 6.961 3.681 ( -9.346 21.059 0.000) 23.040 3.694 ( 5.249 -1.674 0.000) 5.509 3.907 ( 11.902 -3.652 0.000) 12.450 4.005 ( -12.781 -8.109 0.000) 15.137 4.180 ( -2.970 -9.623 0.000) 10.071 4.541 ( 9.128 -0.846 0.000) 9.167 4.779 ( 8.217 -6.052 0.000) 10.205 4.886 ( 2.627 7.099 0.000) 7.569 4.964 ( -4.617 0.974 0.000) 4.719 5.301 ( 0.063 4.149 0.000) 4.150 5.478 ( -4.359 13.180 0.000) 13.882 5.737 ( -5.763 -5.800 0.000) 8.176 5.889 ( 1.552 -5.679 0.000) 5.887 6.266 ( 0.387 1.452 0.000) 1.503 6.409 ( -0.323 12.547 0.000) 12.551 6.444 ( -10.196 -5.808 0.000) 11.734 7.197 ( -2.922 -0.771 0.000) 3.022 7.317 ( 2.779 -8.535 0.000) 8.976 7.416 ( -4.465 -5.288 0.000) 6.921 7.684 ( 9.570 -7.692 0.000) 12.278 8.269 ( 42.824 -30.329 0.000) 52.476 8.694 ( -3.709 4.749 0.000) 6.025 9.154 ( 2.361 6.853 0.000) 7.248 9.405 ( -3.239 2.216 0.000) 3.924 9.956 ( 11.477 1.051 0.000) 11.525 10.007 ( -11.739 13.330 0.000) 17.762 10.659 ( -9.768 4.441 0.000) 10.730 10.776 ( -14.724 1.117 0.000) 14.767 11.340 ( -8.280 -1.448 0.000) 8.406 11.415 ( -11.094 0.238 0.000) 11.096 11.636 ( -5.647 -6.118 0.000) 8.326 12.300 ( 7.962 12.425 0.000) 14.757 12.651 ( 11.228 23.714 0.000) 26.238 12.969 ( -10.321 16.787 0.000) 19.706 13.256 ( 7.692 1.748 0.000) 7.888 13.297 ( 5.186 4.331 0.000) 6.756 13.719 ( 3.354 2.101 0.000) 3.958 13.870 ( 0.995 -3.050 0.000) 3.209 14.056 ( 0.540 -9.579 0.000) 9.595 14.416 ( -4.595 -2.166 0.000) 5.080 14.656 ( 3.428 -5.363 0.000) 6.365 14.970 ( -4.943 -0.234 0.000) 4.948 15.131 ( -3.220 -1.272 0.000) 3.462 17.077 ( 6.060 -5.427 0.000) 8.135 17.368 ( 31.822 -33.373 0.000) 46.113 18.713 ( -3.617 -1.209 0.000) 3.814 18.768 ( -4.718 -2.406 0.000) 5.296 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 17.215 1.640 0.000) 17.293 1.346 ( 22.708 8.054 0.000) 24.094 2.037 ( -5.243 -14.529 0.000) 15.446 2.226 ( -1.508 -2.130 0.000) 2.609 2.349 ( -10.210 -8.698 0.000) 13.413 2.435 ( 33.593 16.506 0.000) 37.429 2.587 ( -5.249 -5.322 0.000) 7.475 2.678 ( -2.495 3.148 0.000) 4.017 2.821 ( 0.740 -8.639 0.000) 8.671 3.009 ( -8.724 -2.077 0.000) 8.968 3.026 ( -1.563 6.220 0.000) 6.414 3.268 ( 6.059 21.718 0.000) 22.547 3.423 ( 3.472 11.259 0.000) 11.782 3.548 ( -15.312 -7.544 0.000) 17.070 3.594 ( -0.125 5.066 0.000) 5.067 3.994 ( 10.803 3.442 0.000) 11.338 4.081 ( -5.469 -2.196 0.000) 5.894 4.200 ( 13.445 -2.186 0.000) 13.621 4.723 ( 8.332 -4.863 0.000) 9.647 4.885 ( 2.063 10.524 0.000) 10.724 4.928 ( 2.423 4.073 0.000) 4.739 4.975 ( 4.566 -8.606 0.000) 9.742 5.280 ( -4.956 -4.386 0.000) 6.618 5.351 ( -7.177 9.894 0.000) 12.223 5.696 ( -1.106 -7.516 0.000) 7.597 5.903 ( -2.137 -4.185 0.000) 4.699 6.177 ( -12.993 -7.650 0.000) 15.077 6.302 ( 1.259 -1.896 0.000) 2.276 6.400 ( 1.792 13.270 0.000) 13.390 7.120 ( -3.815 -0.498 0.000) 3.847 7.284 ( -7.993 -3.942 0.000) 8.912 7.310 ( -3.485 -9.077 0.000) 9.723 7.903 ( 12.854 4.532 0.000) 13.630 8.604 ( -4.652 5.056 0.000) 6.870 8.865 ( 16.219 -21.890 0.000) 27.244 9.169 ( -1.375 -3.413 0.000) 3.680 9.426 ( 5.628 13.163 0.000) 14.316 9.837 ( -3.230 14.239 0.000) 14.601 10.210 ( 11.702 0.294 0.000) 11.706 10.398 ( -10.136 3.542 0.000) 10.737 10.530 ( -10.638 9.054 0.000) 13.969 11.117 ( -13.905 -0.273 0.000) 13.908 11.138 ( -12.503 1.613 0.000) 12.607 11.510 ( -7.587 -6.861 0.000) 10.229 12.481 ( 8.547 9.117 0.000) 12.497 12.840 ( -0.251 10.339 0.000) 10.342 13.013 ( 16.145 12.751 0.000) 20.573 13.425 ( 6.340 2.990 0.000) 7.010 13.491 ( 13.398 0.238 0.000) 13.400 13.831 ( 7.424 1.795 0.000) 7.638 13.945 ( 5.246 -3.393 0.000) 6.247 14.065 ( 0.063 -9.111 0.000) 9.111 14.338 ( -2.701 -1.105 0.000) 2.918 14.704 ( 1.145 -5.248 0.000) 5.371 14.826 ( -8.912 0.342 0.000) 8.918 15.034 ( -5.945 -1.802 0.000) 6.213 17.263 ( 12.110 -3.930 0.000) 12.731 17.775 ( 12.353 -20.169 0.000) 23.651 18.601 ( -7.327 -1.908 0.000) 7.572 18.614 ( -9.884 -2.243 0.000) 10.135 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 10.579 -8.697 0.000) 13.696 1.743 ( 6.374 -1.495 0.000) 6.547 1.911 ( 3.057 -9.834 0.000) 10.298 2.140 ( -4.232 10.411 0.000) 11.239 2.213 ( -1.078 -1.256 0.000) 1.655 2.535 ( -2.616 -13.533 0.000) 13.783 2.613 ( -3.985 5.872 0.000) 7.097 2.655 ( -1.898 -0.190 0.000) 1.908 2.809 ( -6.345 -5.122 0.000) 8.154 2.852 ( -1.293 -11.588 0.000) 11.660 3.174 ( -14.378 -4.219 0.000) 14.984 3.214 ( -9.932 3.363 0.000) 10.486 3.474 ( 33.518 12.033 0.000) 35.613 3.595 ( 7.912 16.732 0.000) 18.508 3.810 ( 15.816 6.942 0.000) 17.273 3.995 ( -0.462 10.017 0.000) 10.028 4.214 ( 7.311 5.461 0.000) 9.125 4.405 ( 4.045 -1.365 0.000) 4.269 4.847 ( 3.796 -0.716 0.000) 3.863 4.872 ( -3.384 6.204 0.000) 7.066 5.002 ( -3.444 -2.335 0.000) 4.161 5.062 ( 2.866 -4.186 0.000) 5.073 5.128 ( -2.213 -4.213 0.000) 4.759 5.262 ( 2.146 5.100 0.000) 5.533 5.616 ( -6.869 -3.197 0.000) 7.577 5.683 ( -16.092 -3.940 0.000) 16.567 6.064 ( 0.965 -8.866 0.000) 8.918 6.233 ( -5.372 -5.136 0.000) 7.433 6.575 ( 12.094 7.648 0.000) 14.309 7.062 ( -3.074 -1.527 0.000) 3.433 7.094 ( -8.268 -1.352 0.000) 8.378 7.204 ( -5.744 -5.327 0.000) 7.834 8.175 ( 11.958 6.380 0.000) 13.554 8.503 ( -5.125 5.538 0.000) 7.546 9.037 ( 2.846 -10.062 0.000) 10.456 9.124 ( -2.444 -5.655 0.000) 6.160 9.600 ( 10.130 15.300 0.000) 18.350 9.865 ( 3.159 9.488 0.000) 10.000 10.288 ( -3.432 7.079 0.000) 7.867 10.351 ( -1.749 5.653 0.000) 5.917 10.374 ( 1.662 2.516 0.000) 3.015 10.790 ( -15.652 2.391 0.000) 15.833 10.973 ( -1.616 -3.326 0.000) 3.698 11.315 ( -10.686 -6.787 0.000) 12.659 12.639 ( 6.441 7.581 0.000) 9.948 12.811 ( -2.109 7.339 0.000) 7.636 13.337 ( 12.778 5.295 0.000) 13.832 13.529 ( 2.877 1.931 0.000) 3.465 13.765 ( 11.811 -1.395 0.000) 11.893 14.016 ( 7.464 -2.370 0.000) 7.831 14.055 ( 0.964 -4.855 0.000) 4.949 14.069 ( 6.224 -3.621 0.000) 7.200 14.301 ( -1.043 0.102 0.000) 1.048 14.604 ( -12.016 1.987 0.000) 12.179 14.716 ( 0.658 -4.139 0.000) 4.191 14.894 ( -7.073 -2.089 0.000) 7.375 17.579 ( 17.707 -3.018 0.000) 17.963 17.998 ( 10.121 -11.381 0.000) 15.230 18.341 ( -15.704 -2.340 0.000) 15.878 18.426 ( -9.591 -3.296 0.000) 10.141 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -6.874 -10.781 0.000) 12.786 1.634 ( 6.874 -10.781 0.000) 12.786 2.092 ( -2.744 8.037 0.000) 8.493 2.092 ( 2.744 8.037 0.000) 8.493 2.337 ( -13.221 -4.511 0.000) 13.969 2.337 ( 13.221 -4.511 0.000) 13.969 2.583 ( -1.760 -0.409 0.000) 1.807 2.583 ( 1.760 -0.409 0.000) 1.807 2.833 ( -1.803 -13.044 0.000) 13.168 2.833 ( 1.803 -13.044 0.000) 13.168 3.026 ( -3.309 -1.404 0.000) 3.594 3.026 ( 3.309 -1.404 0.000) 3.594 3.741 ( -4.690 16.608 0.000) 17.258 3.741 ( 4.690 16.608 0.000) 17.258 4.180 ( -11.063 7.298 0.000) 13.254 4.180 ( 11.063 7.298 0.000) 13.254 4.227 ( -21.424 8.085 0.000) 22.899 4.227 ( 21.424 8.085 0.000) 22.899 4.884 ( -7.346 -5.533 0.000) 9.197 4.884 ( 7.346 -5.533 0.000) 9.197 4.917 ( -2.993 1.277 0.000) 3.254 4.917 ( 2.993 1.277 0.000) 3.254 5.340 ( -9.550 -1.718 0.000) 9.704 5.340 ( 9.550 -1.718 0.000) 9.704 5.443 ( -5.772 -0.977 0.000) 5.855 5.443 ( 5.772 -0.977 0.000) 5.855 6.126 ( -4.422 -7.851 0.000) 9.011 6.126 ( 4.422 -7.851 0.000) 9.011 6.840 ( -12.537 1.805 0.000) 12.667 6.840 ( 12.537 1.805 0.000) 12.667 7.102 ( -3.468 -2.474 0.000) 4.260 7.102 ( 3.468 -2.474 0.000) 4.260 8.377 ( -7.434 5.983 0.000) 9.542 8.377 ( 7.434 5.983 0.000) 9.542 9.076 ( -1.932 -5.749 0.000) 6.065 9.076 ( 1.932 -5.749 0.000) 6.065 9.811 ( -8.568 13.779 0.000) 16.225 9.811 ( 8.568 13.779 0.000) 16.225 10.294 ( -5.497 3.237 0.000) 6.379 10.294 ( 5.497 3.237 0.000) 6.379 10.493 ( -12.044 4.179 0.000) 12.749 10.493 ( 12.044 4.179 0.000) 12.749 11.088 ( -10.129 -6.190 0.000) 11.871 11.088 ( 10.129 -6.190 0.000) 11.871 12.748 ( -4.012 6.989 0.000) 8.059 12.748 ( 4.012 6.989 0.000) 8.059 13.518 ( -4.408 2.037 0.000) 4.856 13.518 ( 4.408 2.037 0.000) 4.856 13.958 ( -6.464 -4.349 0.000) 7.791 13.958 ( 6.464 -4.349 0.000) 7.791 14.169 ( -1.220 -5.139 0.000) 5.282 14.169 ( 1.220 -5.139 0.000) 5.282 14.355 ( -9.695 4.388 0.000) 10.641 14.355 ( 9.695 4.388 0.000) 10.641 14.765 ( -4.525 -2.707 0.000) 5.273 14.765 ( 4.525 -2.707 0.000) 5.273 17.972 ( -19.027 -2.480 0.000) 19.188 17.972 ( 19.027 -2.480 0.000) 19.188 18.214 ( -10.473 -6.302 0.000) 12.223 18.214 ( 10.473 -6.302 0.000) 12.223 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 26.793 0.000) 26.793 1.190 ( 0.000 27.921 0.000) 27.921 1.802 ( 0.000 21.866 0.000) 21.866 1.915 ( 0.000 -4.690 0.000) 4.690 2.028 ( 0.000 -14.693 0.000) 14.693 2.256 ( 0.000 -21.153 0.000) 21.153 2.612 ( 0.000 -0.029 0.000) 0.029 2.795 ( 0.000 8.380 0.000) 8.380 3.076 ( 0.000 -4.358 0.000) 4.358 3.088 ( 0.000 10.354 0.000) 10.354 3.298 ( 0.000 -8.920 0.000) 8.920 3.472 ( 0.000 1.414 0.000) 1.414 3.660 ( 0.000 11.428 0.000) 11.428 3.666 ( 0.000 -4.580 0.000) 4.580 3.671 ( 0.000 -4.561 0.000) 4.561 3.926 ( 0.000 -0.928 0.000) 0.928 4.049 ( 0.000 -7.911 0.000) 7.911 4.401 ( 0.000 14.104 0.000) 14.104 4.421 ( 0.000 10.949 0.000) 10.949 4.447 ( 0.000 -12.792 0.000) 12.792 4.934 ( 0.000 -4.183 0.000) 4.183 5.123 ( 0.000 14.853 0.000) 14.853 5.186 ( 0.000 -13.996 0.000) 13.996 5.695 ( 0.000 -11.454 0.000) 11.454 5.841 ( 0.000 16.092 0.000) 16.092 6.108 ( 0.000 -0.157 0.000) 0.157 6.156 ( 0.000 -1.508 0.000) 1.508 6.394 ( 0.000 -10.538 0.000) 10.538 6.767 ( 0.000 5.633 0.000) 5.633 6.855 ( 0.000 4.298 0.000) 4.298 7.217 ( 0.000 0.312 0.000) 0.312 7.284 ( 0.000 1.274 0.000) 1.274 7.339 ( 0.000 -5.831 0.000) 5.831 7.602 ( 0.000 -9.924 0.000) 9.924 8.866 ( 0.000 7.907 0.000) 7.907 9.205 ( 0.000 -4.974 0.000) 4.974 9.542 ( 0.000 11.812 0.000) 11.812 9.852 ( 0.000 0.239 0.000) 0.239 10.288 ( 0.000 7.398 0.000) 7.398 10.727 ( 0.000 -13.076 0.000) 13.076 10.945 ( 0.000 11.566 0.000) 11.566 11.398 ( 0.000 -1.370 0.000) 1.370 11.466 ( 0.000 -4.361 0.000) 4.361 11.466 ( 0.000 -13.629 0.000) 13.629 12.624 ( 0.000 24.987 0.000) 24.987 13.019 ( 0.000 23.082 0.000) 23.082 13.179 ( 0.000 3.105 0.000) 3.105 13.312 ( 0.000 -3.041 0.000) 3.041 13.339 ( 0.000 2.145 0.000) 2.145 13.724 ( 0.000 1.034 0.000) 1.034 13.770 ( 0.000 -13.015 0.000) 13.015 13.797 ( 0.000 -13.079 0.000) 13.079 14.426 ( 0.000 -3.366 0.000) 3.366 14.467 ( 0.000 -6.318 0.000) 6.318 15.067 ( 0.000 1.711 0.000) 1.711 15.140 ( 0.000 -1.595 0.000) 1.595 16.622 ( 0.000 5.522 0.000) 5.522 16.905 ( 0.000 -7.374 0.000) 7.374 18.729 ( 0.000 -0.896 0.000) 0.896 18.761 ( 0.000 -2.599 0.000) 2.599 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 4.547 21.555 0.000) 22.030 1.303 ( 9.033 21.645 0.000) 23.454 1.858 ( -1.371 -6.332 0.000) 6.478 2.016 ( -0.720 -15.685 0.000) 15.702 2.093 ( 19.880 8.447 0.000) 21.600 2.271 ( -1.769 -16.602 0.000) 16.696 2.651 ( 6.387 7.772 0.000) 10.060 2.718 ( -6.368 5.335 0.000) 8.307 2.937 ( -9.413 2.481 0.000) 9.735 3.111 ( -1.730 3.194 0.000) 3.633 3.331 ( 2.405 -0.236 0.000) 2.417 3.511 ( -7.853 10.273 0.000) 12.931 3.515 ( 3.654 1.037 0.000) 3.799 3.592 ( -6.333 -5.763 0.000) 8.562 3.776 ( 8.288 -5.107 0.000) 9.736 3.951 ( -12.477 -8.063 0.000) 14.856 4.004 ( 9.064 7.930 0.000) 12.043 4.153 ( -7.043 18.247 0.000) 19.560 4.562 ( 9.223 -13.461 0.000) 16.317 4.576 ( 4.264 3.976 0.000) 5.831 4.876 ( -3.490 -6.584 0.000) 7.451 5.138 ( 1.262 15.064 0.000) 15.117 5.177 ( -1.546 -12.827 0.000) 12.920 5.711 ( 0.636 -8.846 0.000) 8.868 5.769 ( -5.991 11.907 0.000) 13.329 5.846 ( -8.275 11.239 0.000) 13.957 6.214 ( 0.138 -5.436 0.000) 5.438 6.279 ( -10.605 -10.402 0.000) 14.855 6.662 ( -1.125 11.574 0.000) 11.628 7.091 ( 2.840 -11.635 0.000) 11.977 7.191 ( -2.539 0.447 0.000) 2.578 7.304 ( -3.382 -5.237 0.000) 6.234 7.621 ( 22.138 1.569 0.000) 22.194 7.911 ( 29.476 -11.722 0.000) 31.721 8.822 ( -3.700 7.830 0.000) 8.660 9.156 ( -4.085 -6.001 0.000) 7.259 9.595 ( 5.149 14.504 0.000) 15.391 9.962 ( 9.302 -1.504 0.000) 9.423 10.200 ( -7.110 8.820 0.000) 11.329 10.597 ( -10.379 -9.121 0.000) 13.818 10.904 ( -4.413 11.439 0.000) 12.261 11.313 ( -7.632 -0.781 0.000) 7.672 11.386 ( -7.688 -2.955 0.000) 8.236 11.428 ( -3.650 -12.770 0.000) 13.282 12.665 ( 3.799 22.973 0.000) 23.285 13.101 ( 6.859 20.298 0.000) 21.426 13.206 ( -2.551 6.554 0.000) 7.033 13.299 ( 4.663 2.330 0.000) 5.213 13.379 ( 3.536 0.739 0.000) 3.612 13.751 ( 1.209 -9.316 0.000) 9.394 13.752 ( 2.594 -0.423 0.000) 2.629 13.814 ( 1.674 -10.995 0.000) 11.121 14.371 ( -2.862 -1.492 0.000) 3.227 14.519 ( 2.757 -7.507 0.000) 7.997 14.985 ( -5.894 1.918 0.000) 6.198 15.094 ( -4.135 -2.439 0.000) 4.801 16.917 ( 17.511 -7.164 0.000) 18.919 17.000 ( 12.030 -8.176 0.000) 14.546 18.688 ( -3.999 -1.092 0.000) 4.145 18.714 ( -4.609 -2.515 0.000) 5.251 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 5.485 11.104 0.000) 12.385 1.531 ( 12.496 9.744 0.000) 15.846 1.802 ( -4.589 -7.640 0.000) 8.912 2.018 ( 1.248 -18.277 0.000) 18.319 2.169 ( -4.605 -8.137 0.000) 9.350 2.363 ( 4.165 -17.938 0.000) 18.415 2.564 ( -7.789 3.965 0.000) 8.741 2.749 ( -7.152 1.356 0.000) 7.280 2.995 ( -9.029 2.439 0.000) 9.352 3.019 ( 19.603 25.481 0.000) 32.149 3.250 ( 0.106 12.244 0.000) 12.245 3.338 ( -13.258 -10.226 0.000) 16.744 3.585 ( -18.714 -3.368 0.000) 19.015 3.644 ( 16.720 8.326 0.000) 18.678 3.708 ( 10.541 12.391 0.000) 16.268 4.003 ( 12.897 -3.123 0.000) 13.270 4.161 ( 4.649 10.038 0.000) 11.062 4.248 ( 12.151 8.380 0.000) 14.760 4.634 ( 2.778 -3.179 0.000) 4.222 4.762 ( 8.587 -12.139 0.000) 14.869 4.856 ( 1.858 -8.840 0.000) 9.033 5.095 ( -6.459 -12.190 0.000) 13.796 5.165 ( 0.924 15.852 0.000) 15.878 5.554 ( -11.418 10.108 0.000) 15.249 5.762 ( -2.556 10.841 0.000) 11.138 5.765 ( 1.803 -9.982 0.000) 10.143 5.978 ( -17.168 -11.107 0.000) 20.448 6.198 ( -2.265 -7.757 0.000) 8.081 6.660 ( 1.383 11.938 0.000) 12.017 7.100 ( -0.871 -11.010 0.000) 11.044 7.117 ( -4.069 0.483 0.000) 4.097 7.202 ( -6.177 -3.778 0.000) 7.241 8.033 ( 17.851 8.346 0.000) 19.705 8.498 ( 22.102 -15.350 0.000) 26.910 8.735 ( -4.323 7.797 0.000) 8.915 9.064 ( -4.191 -6.964 0.000) 8.128 9.747 ( 9.096 17.287 0.000) 19.534 10.065 ( -4.080 10.122 0.000) 10.913 10.193 ( 11.994 -3.031 0.000) 12.371 10.399 ( -6.504 -4.013 0.000) 7.643 10.757 ( -9.317 13.193 0.000) 16.151 11.098 ( -12.600 -0.403 0.000) 12.607 11.159 ( -13.171 -0.756 0.000) 13.193 11.311 ( -7.557 -12.453 0.000) 14.566 12.768 ( 5.611 19.286 0.000) 20.086 13.106 ( -4.284 13.474 0.000) 14.139 13.267 ( 8.182 10.111 0.000) 13.007 13.466 ( 4.218 -2.423 0.000) 4.865 13.508 ( 12.299 2.577 0.000) 12.566 13.819 ( 3.151 -6.342 0.000) 7.081 13.839 ( 6.044 -7.301 0.000) 9.478 13.878 ( 4.893 -3.665 0.000) 6.113 14.329 ( -0.979 1.220 0.000) 1.564 14.565 ( 1.710 -8.068 0.000) 8.247 14.846 ( -7.673 1.938 0.000) 7.914 14.981 ( -6.439 -3.458 0.000) 7.309 17.181 ( 13.813 -3.122 0.000) 14.161 17.388 ( 18.347 -15.772 0.000) 24.194 18.558 ( -8.968 -1.930 0.000) 9.173 18.566 ( -9.196 -2.214 0.000) 9.459 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 4.831 3.431 0.000) 5.925 1.659 ( -7.139 -2.952 0.000) 7.725 1.815 ( 12.735 -3.100 0.000) 13.107 2.059 ( 1.825 -21.415 0.000) 21.493 2.163 ( 4.186 -2.224 0.000) 4.740 2.407 ( 1.619 -17.298 0.000) 17.373 2.422 ( -5.432 6.766 0.000) 8.677 2.637 ( -5.966 -2.835 0.000) 6.605 2.786 ( -7.623 3.692 0.000) 8.471 2.908 ( -10.561 10.404 0.000) 14.825 3.069 ( -10.990 -6.368 0.000) 12.702 3.210 ( -15.915 -3.576 0.000) 16.312 3.814 ( 32.432 19.659 0.000) 37.925 3.936 ( 10.504 15.607 0.000) 18.812 4.048 ( 19.325 13.940 0.000) 23.828 4.239 ( 1.558 13.813 0.000) 13.900 4.289 ( 13.646 -1.679 0.000) 13.749 4.438 ( 4.424 8.038 0.000) 9.174 4.739 ( 7.005 -8.679 0.000) 11.154 4.876 ( 1.852 -8.185 0.000) 8.392 4.915 ( -10.172 -10.594 0.000) 14.687 4.948 ( 6.999 -13.103 0.000) 14.855 5.069 ( -14.239 11.219 0.000) 18.127 5.408 ( 1.681 8.639 0.000) 8.801 5.559 ( -19.374 -8.582 0.000) 21.190 5.681 ( -5.423 9.200 0.000) 10.680 5.840 ( 3.199 -12.390 0.000) 12.796 6.097 ( -7.038 -8.505 0.000) 11.039 6.739 ( 5.980 8.402 0.000) 10.313 7.038 ( -4.634 -0.657 0.000) 4.681 7.063 ( -5.330 -1.534 0.000) 5.547 7.068 ( -1.956 -7.779 0.000) 8.021 8.347 ( 11.881 10.314 0.000) 15.733 8.644 ( -4.501 8.212 0.000) 9.365 8.810 ( 8.787 -12.014 0.000) 14.885 8.988 ( -3.127 -7.840 0.000) 8.441 9.960 ( 10.887 19.151 0.000) 22.029 10.075 ( 4.974 10.832 0.000) 11.920 10.371 ( 3.923 -0.915 0.000) 4.028 10.417 ( 7.070 0.133 0.000) 7.072 10.538 ( -10.852 13.501 0.000) 17.321 10.812 ( -13.715 -0.622 0.000) 13.729 10.891 ( -10.130 -4.175 0.000) 10.957 11.119 ( -10.492 -12.554 0.000) 16.361 12.881 ( 4.917 16.496 0.000) 17.214 13.034 ( -2.960 14.068 0.000) 14.376 13.423 ( 6.380 0.836 0.000) 6.435 13.532 ( 1.596 -5.161 0.000) 5.402 13.745 ( 9.262 0.743 0.000) 9.292 13.872 ( 1.712 -5.469 0.000) 5.731 13.966 ( 5.620 -6.412 0.000) 8.526 14.001 ( 5.587 -3.964 0.000) 6.851 14.340 ( 2.466 4.271 0.000) 4.932 14.603 ( 2.425 -6.829 0.000) 7.247 14.661 ( -9.857 3.693 0.000) 10.526 14.833 ( -7.472 -3.905 0.000) 8.431 17.524 ( 18.584 -1.451 0.000) 18.640 17.743 ( 16.025 -12.365 0.000) 20.241 18.295 ( -15.497 -1.699 0.000) 15.590 18.348 ( -12.115 -3.940 0.000) 12.739 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -6.436 0.168 0.000) 6.438 1.509 ( 6.436 0.168 0.000) 6.438 2.033 ( -6.040 -16.498 0.000) 17.569 2.033 ( 6.040 -16.498 0.000) 17.569 2.298 ( -7.287 3.182 0.000) 7.952 2.298 ( 7.287 3.182 0.000) 7.952 2.476 ( -5.934 -7.187 0.000) 9.320 2.476 ( 5.934 -7.187 0.000) 9.320 2.760 ( -3.082 4.671 0.000) 5.596 2.760 ( 3.082 4.671 0.000) 5.596 2.978 ( -4.322 -3.628 0.000) 5.643 2.978 ( 4.322 -3.628 0.000) 5.643 4.113 ( -4.971 18.667 0.000) 19.317 4.113 ( 4.971 18.667 0.000) 19.317 4.376 ( -9.654 11.703 0.000) 15.171 4.376 ( 9.654 11.703 0.000) 15.171 4.446 ( -11.394 12.269 0.000) 16.744 4.446 ( 11.394 12.269 0.000) 16.744 4.741 ( -2.337 -7.299 0.000) 7.663 4.741 ( 2.337 -7.299 0.000) 7.663 4.861 ( -3.377 -7.128 0.000) 7.887 4.861 ( 3.377 -7.128 0.000) 7.887 5.180 ( -15.220 -13.060 0.000) 20.055 5.180 ( 15.220 -13.060 0.000) 20.055 5.541 ( -7.653 9.042 0.000) 11.846 5.541 ( 7.653 9.042 0.000) 11.846 5.943 ( -6.679 -9.826 0.000) 11.881 5.943 ( 6.679 -9.826 0.000) 11.881 6.887 ( -7.695 2.908 0.000) 8.226 6.887 ( 7.695 2.908 0.000) 8.226 7.035 ( -0.708 -3.934 0.000) 3.997 7.035 ( 0.708 -3.934 0.000) 3.997 8.534 ( -6.548 9.262 0.000) 11.343 8.534 ( 6.548 9.262 0.000) 11.343 8.924 ( -3.441 -9.049 0.000) 9.681 8.924 ( 3.441 -9.049 0.000) 9.681 10.155 ( -4.033 19.010 0.000) 19.433 10.155 ( 4.033 19.010 0.000) 19.433 10.396 ( -2.542 6.653 0.000) 7.122 10.396 ( 2.542 6.653 0.000) 7.122 10.546 ( -11.448 0.185 0.000) 11.450 10.546 ( 11.448 0.185 0.000) 11.450 10.899 ( -9.091 -12.621 0.000) 15.554 10.899 ( 9.091 -12.621 0.000) 15.554 12.969 ( -3.501 14.822 0.000) 15.229 12.969 ( 3.501 14.822 0.000) 15.229 13.521 ( -2.720 -4.486 0.000) 5.246 13.521 ( 2.720 -4.486 0.000) 5.246 13.869 ( -2.611 -2.143 0.000) 3.378 13.869 ( 2.611 -2.143 0.000) 3.378 14.050 ( -1.497 -6.588 0.000) 6.756 14.050 ( 1.497 -6.588 0.000) 6.756 14.457 ( -8.660 5.711 0.000) 10.373 14.457 ( 8.660 5.711 0.000) 10.373 14.688 ( -5.840 -4.914 0.000) 7.632 14.688 ( 5.840 -4.914 0.000) 7.632 17.927 ( -19.159 -1.220 0.000) 19.198 17.927 ( 19.159 -1.220 0.000) 19.198 18.065 ( -14.744 -7.553 0.000) 16.566 18.065 ( 14.744 -7.553 0.000) 16.566 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.000 -23.509 0.000) 23.509 1.633 ( 0.000 23.509 0.000) 23.509 1.709 ( 0.000 -22.684 0.000) 22.684 1.709 ( 0.000 22.684 0.000) 22.684 1.946 ( 0.000 -7.510 0.000) 7.510 1.946 ( 0.000 7.510 0.000) 7.510 2.951 ( 0.000 -23.554 0.000) 23.554 2.951 ( 0.000 23.554 0.000) 23.554 2.961 ( 0.000 -7.517 0.000) 7.517 2.961 ( 0.000 7.517 0.000) 7.517 3.346 ( 0.000 -14.300 0.000) 14.300 3.346 ( 0.000 14.300 0.000) 14.300 3.579 ( 0.000 -3.407 0.000) 3.407 3.579 ( 0.000 3.407 0.000) 3.407 3.870 ( 0.000 -9.721 0.000) 9.721 3.870 ( 0.000 9.721 0.000) 9.721 4.154 ( 0.000 -15.695 0.000) 15.695 4.154 ( 0.000 15.695 0.000) 15.695 4.584 ( 0.000 -0.930 0.000) 0.930 4.584 ( 0.000 0.930 0.000) 0.930 4.926 ( 0.000 -7.986 0.000) 7.986 4.926 ( 0.000 7.986 0.000) 7.986 5.427 ( 0.000 -14.919 0.000) 14.919 5.427 ( 0.000 14.919 0.000) 14.919 6.124 ( 0.000 -1.456 0.000) 1.456 6.124 ( 0.000 1.456 0.000) 1.456 6.145 ( 0.000 -14.122 0.000) 14.122 6.145 ( 0.000 14.122 0.000) 14.122 6.862 ( 0.000 -3.171 0.000) 3.171 6.862 ( 0.000 3.171 0.000) 3.171 7.249 ( 0.000 -3.042 0.000) 3.042 7.249 ( 0.000 3.042 0.000) 3.042 7.398 ( 0.000 -9.404 0.000) 9.404 7.398 ( 0.000 9.404 0.000) 9.404 9.043 ( 0.000 -9.321 0.000) 9.321 9.043 ( 0.000 9.321 0.000) 9.321 9.773 ( 0.000 -8.592 0.000) 8.592 9.773 ( 0.000 8.592 0.000) 8.592 10.478 ( 0.000 -11.343 0.000) 11.343 10.478 ( 0.000 11.343 0.000) 11.343 11.197 ( 0.000 -13.282 0.000) 13.282 11.197 ( 0.000 13.282 0.000) 13.282 11.399 ( 0.000 -1.783 0.000) 1.783 11.399 ( 0.000 1.783 0.000) 1.783 13.124 ( 0.000 -22.388 0.000) 22.388 13.124 ( 0.000 22.388 0.000) 22.388 13.245 ( 0.000 -3.523 0.000) 3.523 13.245 ( 0.000 3.523 0.000) 3.523 13.447 ( 0.000 -19.111 0.000) 19.111 13.447 ( 0.000 19.111 0.000) 19.111 13.705 ( 0.000 -2.121 0.000) 2.121 13.705 ( 0.000 2.121 0.000) 2.121 14.390 ( 0.000 -0.675 0.000) 0.675 14.390 ( 0.000 0.675 0.000) 0.675 15.104 ( 0.000 -1.896 0.000) 1.896 15.104 ( 0.000 1.896 0.000) 1.896 16.754 ( 0.000 -7.414 0.000) 7.414 16.754 ( 0.000 7.414 0.000) 7.414 18.726 ( 0.000 -0.782 0.000) 0.782 18.726 ( 0.000 0.782 0.000) 0.782 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -0.796 -22.161 0.000) 22.175 1.622 ( -0.796 22.161 0.000) 22.175 1.695 ( -0.363 -15.080 0.000) 15.084 1.695 ( -0.363 15.080 0.000) 15.084 2.048 ( 5.483 -2.560 0.000) 6.051 2.048 ( 5.483 2.560 0.000) 6.051 2.859 ( -8.224 -7.525 0.000) 11.147 2.859 ( -8.224 7.525 0.000) 11.147 3.076 ( 13.694 -22.338 0.000) 26.201 3.076 ( 13.694 22.338 0.000) 26.201 3.295 ( -5.098 -12.751 0.000) 13.732 3.295 ( -5.098 12.751 0.000) 13.732 3.672 ( 8.333 -5.734 0.000) 10.115 3.672 ( 8.333 5.734 0.000) 10.115 3.738 ( -11.508 -11.397 0.000) 16.196 3.738 ( -11.508 11.397 0.000) 16.196 4.264 ( 9.525 -15.605 0.000) 18.282 4.264 ( 9.525 15.605 0.000) 18.282 4.499 ( -5.827 -13.628 0.000) 14.821 4.499 ( -5.827 13.628 0.000) 14.821 4.914 ( -1.243 -11.347 0.000) 11.415 4.914 ( -1.243 11.347 0.000) 11.415 5.446 ( 1.724 -15.096 0.000) 15.194 5.446 ( 1.724 15.096 0.000) 15.194 6.041 ( -9.632 -13.124 0.000) 16.279 6.041 ( -9.632 13.124 0.000) 16.279 6.061 ( -3.421 -9.564 0.000) 10.157 6.061 ( -3.421 9.564 0.000) 10.157 6.877 ( 0.467 -10.277 0.000) 10.287 6.877 ( 0.467 10.277 0.000) 10.287 7.222 ( -2.614 -2.803 0.000) 3.833 7.222 ( -2.614 2.803 0.000) 3.833 7.718 ( 25.059 -7.630 0.000) 26.195 7.718 ( 25.059 7.630 0.000) 26.195 8.995 ( -3.973 -9.025 0.000) 9.861 8.995 ( -3.973 9.025 0.000) 9.861 9.854 ( 7.246 -9.774 0.000) 12.167 9.854 ( 7.246 9.774 0.000) 12.167 10.392 ( -6.944 -10.435 0.000) 12.534 10.392 ( -6.944 10.435 0.000) 12.534 11.161 ( -3.676 -13.566 0.000) 14.055 11.161 ( -3.676 13.566 0.000) 14.055 11.326 ( -6.866 -2.211 0.000) 7.213 11.326 ( -6.866 2.211 0.000) 7.213 13.143 ( 1.821 -22.222 0.000) 22.296 13.143 ( 1.821 22.222 0.000) 22.296 13.279 ( 2.083 -1.258 0.000) 2.434 13.279 ( 2.083 1.258 0.000) 2.434 13.496 ( 5.275 -15.705 0.000) 16.567 13.496 ( 5.275 15.705 0.000) 16.567 13.734 ( 2.658 -2.863 0.000) 3.907 13.734 ( 2.658 2.863 0.000) 3.907 14.394 ( 0.415 -4.143 0.000) 4.164 14.394 ( 0.415 4.143 0.000) 4.164 15.038 ( -5.493 -2.996 0.000) 6.258 15.038 ( -5.493 2.996 0.000) 6.258 16.886 ( 11.491 -3.052 0.000) 11.889 16.886 ( 11.491 3.052 0.000) 11.889 18.681 ( -4.372 -0.632 0.000) 4.418 18.681 ( -4.372 0.632 0.000) 4.418 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -0.055 -20.042 0.000) 20.042 1.611 ( -0.055 20.042 0.000) 20.042 1.697 ( 0.505 -5.774 0.000) 5.796 1.697 ( 0.505 5.774 0.000) 5.796 2.105 ( 1.448 -4.772 0.000) 4.987 2.105 ( 1.448 4.772 0.000) 4.987 2.682 ( -7.610 -6.342 0.000) 9.906 2.682 ( -7.610 6.342 0.000) 9.906 3.134 ( -9.993 -9.759 0.000) 13.968 3.134 ( -9.993 9.759 0.000) 13.968 3.415 ( -11.725 -10.268 0.000) 15.586 3.415 ( -11.725 10.268 0.000) 15.586 3.550 ( 22.939 -14.671 0.000) 27.230 3.550 ( 22.939 14.671 0.000) 27.230 3.899 ( 12.761 -7.055 0.000) 14.581 3.899 ( 12.761 7.055 0.000) 14.581 4.447 ( 1.771 -15.894 0.000) 15.992 4.447 ( 1.771 15.894 0.000) 15.992 4.492 ( 10.811 -14.246 0.000) 17.884 4.492 ( 10.811 14.246 0.000) 17.884 4.858 ( -4.315 -9.820 0.000) 10.726 4.858 ( -4.315 9.820 0.000) 10.726 5.490 ( 2.086 -15.726 0.000) 15.864 5.490 ( 2.086 15.726 0.000) 15.864 5.765 ( -15.921 -10.142 0.000) 18.877 5.765 ( -15.921 10.142 0.000) 18.877 6.001 ( -3.284 -11.620 0.000) 12.075 6.001 ( -3.284 11.620 0.000) 12.075 6.884 ( 0.548 -10.799 0.000) 10.813 6.884 ( 0.548 10.799 0.000) 10.813 7.143 ( -4.768 -2.103 0.000) 5.212 7.143 ( -4.768 2.103 0.000) 5.212 8.232 ( 21.378 -11.564 0.000) 24.306 8.232 ( 21.378 11.564 0.000) 24.306 8.903 ( -4.381 -8.694 0.000) 9.735 8.903 ( -4.381 8.694 0.000) 9.735 10.050 ( 10.974 -11.723 0.000) 16.058 10.050 ( 10.974 11.723 0.000) 16.058 10.260 ( -4.071 -9.040 0.000) 9.914 10.260 ( -4.071 9.040 0.000) 9.914 11.038 ( -8.029 -14.383 0.000) 16.472 11.038 ( -8.029 14.383 0.000) 16.472 11.119 ( -12.627 -2.299 0.000) 12.835 11.119 ( -12.627 2.299 0.000) 12.835 13.196 ( 3.018 -21.213 0.000) 21.426 13.196 ( 3.018 21.213 0.000) 21.426 13.304 ( 0.515 -5.474 0.000) 5.498 13.304 ( 0.515 5.474 0.000) 5.498 13.657 ( 8.987 -10.350 0.000) 13.707 13.657 ( 8.987 10.350 0.000) 13.707 13.809 ( 4.330 -4.109 0.000) 5.969 13.809 ( 4.330 4.109 0.000) 5.969 14.410 ( 1.326 -6.637 0.000) 6.768 14.410 ( 1.326 6.637 0.000) 6.768 14.905 ( -6.989 -3.760 0.000) 7.937 14.905 ( -6.989 3.760 0.000) 7.937 17.186 ( 16.529 -4.609 0.000) 17.159 17.186 ( 16.529 4.609 0.000) 17.159 18.539 ( -9.321 -0.235 0.000) 9.324 18.539 ( -9.321 0.235 0.000) 9.324 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 1.580 -18.683 0.000) 18.749 1.626 ( 1.580 18.683 0.000) 18.749 1.705 ( -0.332 -6.503 0.000) 6.512 1.705 ( -0.332 6.503 0.000) 6.512 2.177 ( 6.503 -5.030 0.000) 8.221 2.177 ( 6.503 5.030 0.000) 8.221 2.550 ( -6.044 -5.406 0.000) 8.109 2.550 ( -6.044 5.406 0.000) 8.109 2.920 ( -8.424 -8.120 0.000) 11.700 2.920 ( -8.424 8.120 0.000) 11.700 3.094 ( -14.194 -7.719 0.000) 16.157 3.094 ( -14.194 7.719 0.000) 16.157 4.145 ( 28.476 -9.017 0.000) 29.870 4.145 ( 28.476 9.017 0.000) 29.870 4.179 ( 13.398 -8.658 0.000) 15.952 4.179 ( 13.398 8.658 0.000) 15.952 4.534 ( 3.930 -14.587 0.000) 15.107 4.534 ( 3.930 14.587 0.000) 15.107 4.662 ( 4.408 -12.286 0.000) 13.053 4.662 ( 4.408 12.286 0.000) 13.053 4.750 ( -4.191 -3.335 0.000) 5.356 4.750 ( -4.191 3.335 0.000) 5.356 5.325 ( -20.514 -13.198 0.000) 24.392 5.325 ( -20.514 13.198 0.000) 24.392 5.608 ( 4.104 -10.497 0.000) 11.271 5.608 ( 4.104 10.497 0.000) 11.271 5.898 ( -6.594 -11.113 0.000) 12.922 5.898 ( -6.594 11.113 0.000) 12.922 6.906 ( 1.654 -8.285 0.000) 8.449 6.906 ( 1.654 8.285 0.000) 8.449 7.039 ( -4.768 -0.719 0.000) 4.822 7.039 ( -4.768 0.719 0.000) 4.822 8.570 ( 11.182 -11.812 0.000) 16.265 8.570 ( 11.182 11.812 0.000) 16.265 8.818 ( -3.851 -8.912 0.000) 9.709 8.818 ( -3.851 8.912 0.000) 9.709 10.272 ( 5.687 -8.209 0.000) 9.986 10.272 ( 5.687 8.209 0.000) 9.986 10.297 ( 12.278 -12.770 0.000) 17.715 10.297 ( 12.278 12.770 0.000) 17.715 10.820 ( -15.227 -2.532 0.000) 15.436 10.820 ( -15.227 2.532 0.000) 15.436 10.835 ( -11.066 -15.283 0.000) 18.869 10.835 ( -11.066 15.283 0.000) 18.869 13.257 ( 2.532 -19.181 0.000) 19.347 13.257 ( 2.532 19.181 0.000) 19.347 13.308 ( -0.150 -11.497 0.000) 11.498 13.308 ( -0.150 11.497 0.000) 11.498 13.829 ( 6.783 -6.677 0.000) 9.517 13.829 ( 6.783 6.677 0.000) 9.517 13.897 ( 3.381 -5.356 0.000) 6.334 13.897 ( 3.381 5.356 0.000) 6.334 14.459 ( 3.727 -7.108 0.000) 8.026 14.459 ( 3.727 7.108 0.000) 8.026 14.746 ( -8.222 -4.570 0.000) 9.407 14.746 ( -8.222 4.570 0.000) 9.407 17.558 ( 18.729 -5.449 0.000) 19.506 17.558 ( 18.729 5.449 0.000) 19.506 18.290 ( -14.388 -1.472 0.000) 14.463 18.290 ( -14.388 1.472 0.000) 14.463 ======================= Grid point 35 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -2.443 -15.442 0.000) 15.634 1.672 ( 2.443 -15.442 0.000) 15.634 1.672 ( -2.443 15.442 0.000) 15.634 1.672 ( 2.443 15.442 0.000) 15.634 2.371 ( -10.683 -3.984 0.000) 11.401 2.371 ( -10.683 3.984 0.000) 11.401 2.371 ( 10.683 -3.984 0.000) 11.401 2.371 ( 10.683 3.984 0.000) 11.401 2.880 ( -5.125 -6.004 0.000) 7.894 2.880 ( 5.125 -6.004 0.000) 7.894 2.880 ( -5.125 6.004 0.000) 7.894 2.880 ( 5.126 6.004 0.000) 7.894 4.432 ( -9.497 -12.348 0.000) 15.578 4.432 ( 9.497 -12.348 0.000) 15.578 4.432 ( -9.497 12.348 0.000) 15.578 4.432 ( 9.497 12.348 0.000) 15.578 4.630 ( -9.782 -12.026 0.000) 15.502 4.630 ( 9.782 -12.026 0.000) 15.502 4.630 ( -9.782 12.026 0.000) 15.502 4.630 ( 9.782 12.026 0.000) 15.502 4.874 ( -18.357 -15.481 0.000) 24.013 4.874 ( 18.357 -15.481 0.000) 24.013 4.874 ( -18.357 15.481 0.000) 24.013 4.874 ( 18.357 15.481 0.000) 24.013 5.742 ( -7.724 -10.341 0.000) 12.907 5.742 ( 7.724 -10.341 0.000) 12.907 5.742 ( -7.724 10.341 0.000) 12.907 5.742 ( 7.724 10.341 0.000) 12.907 6.955 ( -3.142 -3.876 0.000) 4.990 6.955 ( 3.142 -3.876 0.000) 4.990 6.955 ( -3.142 3.876 0.000) 4.990 6.955 ( 3.142 3.876 0.000) 4.990 8.730 ( -5.118 -10.068 0.000) 11.294 8.730 ( 5.118 -10.068 0.000) 11.294 8.730 ( -5.118 10.068 0.000) 11.294 8.730 ( 5.118 10.068 0.000) 11.294 10.460 ( -7.523 -7.577 0.000) 10.678 10.460 ( 7.523 -7.577 0.000) 10.678 10.460 ( -7.523 7.577 0.000) 10.678 10.460 ( 7.523 7.577 0.000) 10.678 10.608 ( -6.504 -14.183 0.000) 15.603 10.608 ( 6.504 -14.183 0.000) 15.603 10.608 ( -6.504 14.183 0.000) 15.603 10.608 ( 6.504 14.183 0.000) 15.603 13.295 ( -1.156 -16.064 0.000) 16.106 13.295 ( 1.156 -16.064 0.000) 16.106 13.295 ( -1.156 16.064 0.000) 16.106 13.295 ( 1.156 16.064 0.000) 16.106 13.920 ( -1.613 -5.818 0.000) 6.038 13.920 ( 1.613 -5.818 0.000) 6.038 13.920 ( -1.613 5.818 0.000) 6.038 13.920 ( 1.613 5.818 0.000) 6.038 14.577 ( -7.359 -6.000 0.000) 9.495 14.577 ( 7.359 -6.000 0.000) 9.495 14.577 ( -7.359 6.000 0.000) 9.495 14.577 ( 7.359 6.000 0.000) 9.495 17.948 ( -18.035 -3.605 0.000) 18.392 17.948 ( -18.035 3.605 0.000) 18.392 17.948 ( 18.035 -3.605 0.000) 18.392 17.948 ( 18.035 3.605 0.000) 18.392 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.000 0.000 28.619) 28.619 0.561 ( 0.000 0.000 28.260) 28.260 1.077 ( 0.000 0.000 55.367) 55.367 2.234 ( 0.000 0.000 2.405) 2.405 2.241 ( 0.000 0.000 -3.443) 3.443 2.288 ( 0.000 0.000 3.837) 3.837 2.617 ( 0.000 0.000 -2.801) 2.801 2.901 ( 0.000 0.000 -0.138) 0.138 2.944 ( 0.000 0.000 -10.564) 10.564 2.979 ( 0.000 0.000 -10.495) 10.495 3.155 ( 0.000 0.000 -19.949) 19.949 3.260 ( 0.000 0.000 0.470) 0.470 3.304 ( 0.000 0.000 -1.019) 1.019 3.397 ( 0.000 0.000 3.928) 3.928 3.615 ( 0.000 0.000 3.018) 3.018 4.146 ( 0.000 0.000 0.224) 0.224 4.327 ( 0.000 0.000 -0.764) 0.764 4.413 ( 0.000 0.000 1.437) 1.437 4.494 ( 0.000 0.000 9.160) 9.160 4.526 ( 0.000 0.000 -11.233) 11.233 4.875 ( 0.000 0.000 -1.718) 1.718 4.932 ( 0.000 0.000 -0.179) 0.179 5.314 ( 0.000 0.000 12.708) 12.708 5.368 ( 0.000 0.000 9.235) 9.235 5.900 ( 0.000 0.000 -4.761) 4.761 6.029 ( 0.000 0.000 -12.469) 12.469 6.182 ( 0.000 0.000 -0.598) 0.598 6.400 ( 0.000 0.000 1.519) 1.519 6.632 ( 0.000 0.000 -6.485) 6.485 7.184 ( 0.000 0.000 -11.134) 11.134 7.292 ( 0.000 0.000 2.616) 2.616 7.393 ( 0.000 0.000 -13.462) 13.462 7.476 ( 0.000 0.000 -5.456) 5.456 8.024 ( 0.000 0.000 10.202) 10.202 8.747 ( 0.000 0.000 6.480) 6.480 9.114 ( 0.000 0.000 11.344) 11.344 9.215 ( 0.000 0.000 3.681) 3.681 9.525 ( 0.000 0.000 1.350) 1.350 10.166 ( 0.000 0.000 0.885) 0.885 10.592 ( 0.000 0.000 -8.291) 8.291 10.979 ( 0.000 0.000 -10.211) 10.211 11.314 ( 0.000 0.000 -12.896) 12.896 11.512 ( 0.000 0.000 -6.362) 6.362 11.758 ( 0.000 0.000 -28.457) 28.457 12.104 ( 0.000 0.000 6.397) 6.397 12.708 ( 0.000 0.000 -0.980) 0.980 13.197 ( 0.000 0.000 5.766) 5.766 13.367 ( 0.000 0.000 28.848) 28.848 13.413 ( 0.000 0.000 3.348) 3.348 13.677 ( 0.000 0.000 1.605) 1.605 13.942 ( 0.000 0.000 4.909) 4.909 14.124 ( 0.000 0.000 8.887) 8.887 14.147 ( 0.000 0.000 -0.040) 0.040 14.693 ( 0.000 0.000 4.565) 4.565 14.978 ( 0.000 0.000 -5.315) 5.315 15.135 ( 0.000 0.000 -3.937) 3.937 17.145 ( 0.000 0.000 6.873) 6.873 17.665 ( 0.000 0.000 1.764) 1.764 18.718 ( 0.000 0.000 -4.695) 4.695 18.813 ( 0.000 0.000 -3.220) 3.220 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 21.344 0.000 17.044) 27.314 0.874 ( 20.307 0.000 20.129) 28.593 1.534 ( 38.246 0.000 33.481) 50.831 2.237 ( -0.352 0.000 -2.942) 2.963 2.300 ( -0.699 0.000 -0.275) 0.752 2.428 ( 13.622 0.000 -5.451) 14.673 2.621 ( -1.478 0.000 -1.049) 1.812 2.794 ( -10.155 0.000 -9.083) 13.625 2.830 ( -5.631 0.000 3.430) 6.593 2.857 ( -10.119 0.000 -4.869) 11.230 3.066 ( -3.758 0.000 -11.586) 12.180 3.152 ( -7.767 0.000 -0.487) 7.783 3.302 ( 3.169 0.000 -5.475) 6.326 3.465 ( 3.469 0.000 -0.144) 3.472 3.732 ( 9.087 0.000 4.181) 10.002 3.892 ( -6.112 0.000 0.057) 6.112 4.100 ( -16.646 0.000 -0.824) 16.667 4.541 ( 0.950 0.000 -10.788) 10.830 4.576 ( 2.862 0.000 13.322) 13.626 4.618 ( 6.222 0.000 2.047) 6.550 4.915 ( -0.945 0.000 0.837) 1.262 4.944 ( 7.740 0.000 -0.359) 7.749 5.275 ( -4.380 0.000 2.302) 4.948 5.431 ( 4.251 0.000 12.962) 13.642 5.862 ( -7.119 0.000 -6.867) 9.891 5.957 ( 6.321 0.000 -0.868) 6.381 6.128 ( -6.225 0.000 0.053) 6.225 6.293 ( -0.891 0.000 1.482) 1.729 6.491 ( -8.010 0.000 -3.655) 8.804 7.182 ( -4.282 0.000 0.334) 4.295 7.299 ( 8.890 0.000 -10.747) 13.947 7.435 ( -3.914 0.000 -4.287) 5.806 7.863 ( 2.924 0.000 1.013) 3.094 8.364 ( 28.310 0.000 -35.305) 45.254 8.687 ( -4.915 0.000 3.359) 5.953 9.158 ( 4.102 0.000 10.380) 11.161 9.308 ( 8.613 0.000 3.083) 9.148 9.526 ( -1.168 0.000 2.351) 2.625 10.130 ( 0.278 0.000 3.684) 3.695 10.524 ( -6.194 0.000 -8.029) 10.140 10.882 ( -17.254 0.000 -1.387) 17.310 11.195 ( -5.947 0.000 -12.685) 14.009 11.380 ( -10.986 0.000 -2.964) 11.379 11.629 ( -6.855 0.000 -12.066) 13.877 12.212 ( 8.617 0.000 3.528) 9.311 12.723 ( 1.115 0.000 -1.399) 1.789 12.794 ( -9.952 0.000 32.943) 34.413 13.259 ( 5.690 0.000 2.405) 6.177 13.454 ( 4.797 0.000 20.210) 20.771 13.725 ( 4.651 0.000 3.023) 5.547 13.966 ( 1.760 0.000 6.794) 7.018 14.151 ( 0.186 0.000 -0.498) 0.531 14.382 ( 3.598 0.000 -4.694) 5.914 14.662 ( 0.576 0.000 -0.121) 0.589 14.920 ( -5.404 0.000 -5.792) 7.922 15.107 ( -3.474 0.000 -3.988) 5.289 17.200 ( 5.440 0.000 7.114) 8.955 17.883 ( 9.675 0.000 -4.047) 10.488 18.686 ( -3.115 0.000 -4.305) 5.314 18.768 ( -4.337 0.000 -2.786) 5.155 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 19.733 0.000 12.404) 23.308 1.311 ( 22.711 0.000 5.871) 23.457 2.124 ( -10.928 0.000 -9.719) 14.625 2.237 ( -4.662 0.000 -2.410) 5.248 2.392 ( 33.481 0.000 15.893) 37.061 2.452 ( -17.076 0.000 -6.058) 18.119 2.491 ( -0.825 0.000 -9.836) 9.870 2.656 ( 4.622 0.000 4.295) 6.309 2.717 ( -1.694 0.000 -3.989) 4.334 2.975 ( 2.365 0.000 -1.280) 2.689 3.043 ( 1.420 0.000 -6.571) 6.723 3.046 ( 6.410 0.000 2.828) 7.006 3.344 ( 3.427 0.000 2.305) 4.130 3.531 ( 3.990 0.000 0.773) 4.064 3.707 ( -19.196 0.000 3.594) 19.530 3.891 ( 0.808 0.000 -14.148) 14.171 3.956 ( 11.571 0.000 2.739) 11.891 4.495 ( -3.412 0.000 14.406) 14.804 4.550 ( -0.144 0.000 -11.882) 11.883 4.859 ( 12.018 0.000 4.354) 12.782 4.904 ( -0.535 0.000 -1.140) 1.259 5.096 ( 5.980 0.000 -3.298) 6.829 5.151 ( -6.618 0.000 2.124) 6.950 5.445 ( -3.497 0.000 8.449) 9.144 5.767 ( -4.776 0.000 -8.400) 9.663 5.992 ( -6.437 0.000 -0.069) 6.437 6.156 ( -10.913 0.000 -4.846) 11.941 6.187 ( 14.907 0.000 4.462) 15.560 6.377 ( -3.875 0.000 -0.734) 3.944 7.080 ( -3.585 0.000 -1.497) 3.885 7.314 ( -7.604 0.000 -1.721) 7.796 7.508 ( 6.541 0.000 1.181) 6.647 7.851 ( 0.919 0.000 4.248) 4.346 8.546 ( -5.863 0.000 -0.182) 5.866 8.786 ( 11.917 0.000 -29.365) 31.691 9.281 ( 7.519 0.000 7.728) 10.782 9.443 ( -6.338 0.000 5.018) 8.084 9.547 ( 13.203 0.000 2.512) 13.439 10.210 ( 4.612 0.000 0.387) 4.628 10.357 ( -8.892 0.000 -7.183) 11.431 10.496 ( -13.027 0.000 8.262) 15.426 11.044 ( -8.303 0.000 -8.869) 12.149 11.104 ( -14.851 0.000 0.352) 14.855 11.513 ( -6.247 0.000 -7.198) 9.531 12.406 ( 9.077 0.000 1.208) 9.157 12.742 ( 0.481 0.000 -1.517) 1.591 12.918 ( 14.640 0.000 6.660) 16.084 13.422 ( 9.676 0.000 -5.215) 10.992 13.563 ( 4.563 0.000 15.857) 16.500 13.870 ( 8.903 0.000 5.116) 10.268 14.028 ( 4.404 0.000 5.056) 6.705 14.143 ( -1.347 0.000 -2.034) 2.439 14.368 ( -1.839 0.000 1.323) 2.266 14.690 ( 0.588 0.000 -5.175) 5.209 14.759 ( -9.767 0.000 -6.391) 11.673 14.995 ( -6.872 0.000 -5.580) 8.852 17.377 ( 11.549 0.000 7.221) 13.621 18.024 ( 5.312 0.000 0.521) 5.337 18.590 ( -5.927 0.000 -3.249) 6.759 18.626 ( -9.353 0.000 -1.450) 9.465 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 16.152 0.000 7.031) 17.616 1.684 ( 9.158 0.000 -6.066) 10.985 1.868 ( -11.102 0.000 -10.388) 15.205 2.132 ( -5.594 0.000 0.840) 5.657 2.203 ( -1.135 0.000 2.821) 3.040 2.372 ( -1.272 0.000 -9.301) 9.387 2.621 ( -7.525 0.000 -7.388) 10.545 2.671 ( -7.853 0.000 0.087) 7.853 2.947 ( 4.995 0.000 3.867) 6.317 2.971 ( 9.105 0.000 6.087) 10.953 3.203 ( -0.073 0.000 4.580) 4.580 3.207 ( 15.082 0.000 -6.384) 16.377 3.338 ( -13.723 0.000 6.242) 15.075 3.619 ( 22.141 0.000 10.746) 24.611 3.730 ( 15.241 0.000 -4.158) 15.798 3.787 ( -8.268 0.000 -8.508) 11.864 4.149 ( 3.966 0.000 -0.330) 3.979 4.483 ( -2.074 0.000 6.105) 6.448 4.558 ( 2.475 0.000 -13.413) 13.640 4.844 ( -6.013 0.000 -8.021) 10.024 5.041 ( 5.602 0.000 -3.415) 6.561 5.069 ( 0.258 0.000 9.951) 9.954 5.232 ( 7.241 0.000 -2.179) 7.562 5.312 ( -8.219 0.000 9.047) 12.223 5.586 ( -10.823 0.000 -3.689) 11.435 5.797 ( -12.022 0.000 3.292) 12.465 6.053 ( 1.769 0.000 -8.622) 8.802 6.268 ( -6.306 0.000 -3.996) 7.465 6.526 ( 16.517 0.000 4.761) 17.189 7.081 ( 3.925 0.000 2.686) 4.757 7.119 ( -11.098 0.000 0.953) 11.139 7.442 ( -9.565 0.000 14.686) 17.526 8.018 ( 11.848 0.000 -8.297) 14.464 8.414 ( -6.897 0.000 -3.484) 7.726 8.980 ( 7.718 0.000 -12.701) 14.863 9.292 ( -7.545 0.000 4.842) 8.965 9.466 ( 9.948 0.000 4.292) 10.835 9.772 ( 4.370 0.000 2.264) 4.922 10.215 ( -0.991 0.000 0.332) 1.045 10.232 ( 0.708 0.000 -4.664) 4.717 10.382 ( -3.583 0.000 2.868) 4.589 10.774 ( -16.410 0.000 1.304) 16.461 10.957 ( 2.351 0.000 -4.711) 5.265 11.341 ( -10.034 0.000 -4.585) 11.032 12.573 ( 6.677 0.000 0.441) 6.692 12.734 ( -1.341 0.000 -0.892) 1.611 13.246 ( 14.875 0.000 -2.057) 15.017 13.603 ( -1.306 0.000 7.787) 7.896 13.652 ( 12.001 0.000 -10.559) 15.985 14.072 ( 0.077 0.000 -1.716) 1.718 14.080 ( 4.786 0.000 0.519) 4.814 14.150 ( 6.837 0.000 4.447) 8.156 14.341 ( -1.123 0.000 3.531) 3.705 14.531 ( -11.507 0.000 -4.730) 12.441 14.680 ( -0.717 0.000 -7.225) 7.260 14.840 ( -7.406 0.000 -6.846) 10.085 17.675 ( 16.466 0.000 6.094) 17.557 18.140 ( 6.170 0.000 1.335) 6.313 18.377 ( -14.425 0.000 0.796) 14.447 18.446 ( -7.597 0.000 -1.680) 7.781 ======================= Grid point 67 (25/100) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -1.724 0.000 -10.604) 10.743 1.730 ( 1.724 0.000 -10.604) 10.743 1.962 ( -11.010 0.000 4.468) 11.882 1.962 ( 11.010 0.000 4.468) 11.882 2.408 ( -14.706 0.000 2.896) 14.989 2.408 ( 14.706 0.000 2.896) 14.989 2.445 ( -7.579 0.000 -10.382) 12.854 2.445 ( 7.579 0.000 -10.382) 12.854 3.104 ( -7.607 0.000 5.196) 9.212 3.104 ( 7.607 0.000 5.196) 9.212 3.112 ( -7.724 0.000 8.081) 11.178 3.112 ( 7.724 0.000 8.081) 11.178 3.502 ( -13.458 0.000 -4.670) 14.246 3.502 ( 13.458 0.000 -4.670) 14.246 4.045 ( -12.319 0.000 -6.273) 13.824 4.045 ( 12.319 0.000 -6.273) 13.824 4.211 ( -23.824 0.000 6.072) 24.585 4.211 ( 23.824 0.000 6.072) 24.585 4.687 ( -8.193 0.000 -9.457) 12.512 4.687 ( 8.193 0.000 -9.457) 12.512 5.147 ( -6.551 0.000 10.815) 12.645 5.147 ( 6.551 0.000 10.815) 12.645 5.203 ( -9.524 0.000 -9.499) 13.451 5.203 ( 9.524 0.000 -9.499) 13.451 5.565 ( -9.096 0.000 5.543) 10.652 5.565 ( 9.096 0.000 5.543) 10.652 6.139 ( -5.594 0.000 -7.440) 9.309 6.139 ( 5.594 0.000 -7.440) 9.309 6.852 ( -14.377 0.000 3.206) 14.730 6.852 ( 14.377 0.000 3.206) 14.730 7.228 ( -9.512 0.000 9.852) 13.695 7.228 ( 9.512 0.000 9.852) 13.695 8.246 ( -9.439 0.000 -6.866) 11.672 8.246 ( 9.439 0.000 -6.866) 11.672 9.136 ( -7.442 0.000 -0.654) 7.471 9.136 ( 7.442 0.000 -0.654) 7.471 9.679 ( -9.614 0.000 1.528) 9.735 9.679 ( 9.614 0.000 1.528) 9.735 10.266 ( -5.483 0.000 0.254) 5.489 10.266 ( 5.483 0.000 0.254) 5.489 10.436 ( -15.198 0.000 -0.011) 15.198 10.436 ( 15.198 0.000 -0.011) 15.198 11.116 ( -10.662 0.000 -3.277) 11.154 11.116 ( 10.662 0.000 -3.277) 11.154 12.682 ( -3.806 0.000 -0.123) 3.808 12.682 ( 3.806 0.000 -0.123) 3.808 13.498 ( -8.761 0.000 0.089) 8.761 13.498 ( 8.761 0.000 0.089) 8.761 13.900 ( -10.850 0.000 -10.119) 14.837 13.900 ( 10.850 0.000 -10.119) 14.837 14.282 ( -4.996 0.000 4.217) 6.538 14.282 ( 4.996 0.000 4.217) 6.538 14.297 ( -10.702 0.000 0.250) 10.705 14.297 ( 10.702 0.000 0.250) 10.705 14.711 ( -4.283 0.000 -7.517) 8.651 14.711 ( 4.283 0.000 -7.517) 8.651 18.038 ( -17.492 0.000 3.620) 17.862 18.038 ( 17.492 0.000 3.620) 17.862 18.285 ( -7.561 0.000 0.116) 7.562 18.285 ( 7.561 0.000 0.116) 7.562 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.000 20.646 17.527) 27.082 0.827 ( 0.000 19.028 19.406) 27.178 1.440 ( 0.000 31.647 37.135) 48.791 2.031 ( 0.000 -13.586 -2.862) 13.884 2.327 ( 0.000 -1.426 8.051) 8.176 2.352 ( 0.000 -2.624 -17.627) 17.821 2.643 ( 0.000 0.748 -3.454) 3.534 2.801 ( 0.000 -12.258 -4.790) 13.161 2.952 ( 0.000 2.980 -0.531) 3.027 3.029 ( 0.000 -6.505 -14.765) 16.135 3.113 ( 0.000 9.941 -9.364) 13.657 3.360 ( 0.000 15.422 -4.855) 16.168 3.422 ( 0.000 5.883 -5.303) 7.921 3.569 ( 0.000 12.507 -0.218) 12.509 3.655 ( 0.000 4.051 5.338) 6.701 4.084 ( 0.000 -10.581 -2.002) 10.769 4.085 ( 0.000 -8.818 -3.920) 9.650 4.268 ( 0.000 -8.023 3.677) 8.825 4.405 ( 0.000 -4.647 6.879) 8.302 4.613 ( 0.000 4.522 -9.833) 10.823 4.761 ( 0.000 -6.854 3.302) 7.608 5.251 ( 0.000 6.848 -9.041) 11.342 5.354 ( 0.000 2.454 21.594) 21.733 5.516 ( 0.000 13.852 -0.834) 13.877 5.788 ( 0.000 -0.769 -6.374) 6.420 6.119 ( 0.000 -1.240 -3.126) 3.363 6.174 ( 0.000 -0.795 -0.547) 0.965 6.453 ( 0.000 6.354 -5.587) 8.461 6.679 ( 0.000 4.307 -7.304) 8.479 7.009 ( 0.000 -25.162 7.857) 26.361 7.178 ( 0.000 -0.476 -10.756) 10.767 7.287 ( 0.000 -0.037 4.952) 4.952 7.465 ( 0.000 -3.962 -4.458) 5.964 7.804 ( 0.000 -10.077 11.283) 15.128 8.779 ( 0.000 3.293 4.591) 5.650 9.207 ( 0.000 6.881 8.265) 10.754 9.499 ( 0.000 -1.052 3.099) 3.273 9.538 ( 0.000 16.451 -11.843) 20.270 10.182 ( 0.000 2.288 -0.539) 2.351 10.680 ( 0.000 7.867 -7.140) 10.624 10.910 ( 0.000 -7.795 -10.577) 13.139 11.301 ( 0.000 -1.121 -12.196) 12.248 11.480 ( 0.000 -3.761 -4.790) 6.090 11.591 ( 0.000 -10.825 -15.989) 19.309 12.255 ( 0.000 14.640 5.230) 15.546 12.791 ( 0.000 10.487 9.500) 14.150 13.187 ( 0.000 0.119 6.045) 6.046 13.394 ( 0.000 -1.880 3.202) 3.714 13.462 ( 0.000 6.682 22.829) 23.787 13.690 ( 0.000 0.754 0.904) 1.177 13.916 ( 0.000 -6.106 -8.511) 10.475 14.079 ( 0.000 -4.339 10.218) 11.101 14.295 ( 0.000 8.940 -4.469) 9.995 14.635 ( 0.000 -5.463 4.190) 6.885 14.993 ( 0.000 1.389 -4.734) 4.934 15.131 ( 0.000 -0.550 -3.815) 3.854 17.092 ( 0.000 -5.001 6.506) 8.206 17.123 ( 0.000 -27.713 29.109) 40.191 18.707 ( 0.000 -0.946 -4.597) 4.693 18.789 ( 0.000 -2.447 -3.188) 4.019 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.12 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 16.726 12.848 15.557) 26.208 1.039 ( 15.013 15.756 16.606) 27.375 1.766 ( 28.719 22.005 22.098) 42.395 2.029 ( -0.008 -14.128 -3.137) 14.472 2.289 ( -3.501 -4.818 0.300) 5.963 2.430 ( 4.326 -6.055 -7.754) 10.747 2.660 ( -0.605 1.412 -2.797) 3.191 2.776 ( -2.555 -8.456 -5.529) 10.421 2.825 ( -9.407 2.694 1.410) 9.886 3.021 ( -3.389 2.282 -10.078) 10.874 3.054 ( -2.609 13.833 -4.841) 14.887 3.259 ( -2.903 5.358 -2.709) 6.669 3.316 ( -5.369 11.201 -2.896) 12.755 3.585 ( 1.065 7.291 -6.246) 9.660 3.754 ( 5.056 1.490 6.293) 8.209 3.880 ( -4.183 -0.660 -1.750) 4.582 3.989 ( -9.580 -7.856 -1.346) 12.462 4.345 ( 0.331 -10.806 7.545) 13.184 4.568 ( 10.750 -2.761 0.136) 11.100 4.653 ( 4.215 4.439 -6.050) 8.607 4.835 ( 5.646 -8.823 0.693) 10.498 5.127 ( -6.757 8.324 0.296) 10.725 5.355 ( -4.018 2.313 7.521) 8.835 5.505 ( 0.252 9.252 3.596) 9.930 5.704 ( -6.622 -3.516 -2.704) 7.970 5.955 ( -1.229 -3.571 5.032) 6.292 6.259 ( -0.305 -1.345 -3.730) 3.977 6.339 ( -2.863 11.836 -1.180) 12.234 6.476 ( -7.814 -1.535 -1.912) 8.189 7.160 ( -1.805 -3.150 -1.469) 3.916 7.281 ( 7.465 -1.955 -7.826) 10.990 7.355 ( -1.639 -5.910 -3.329) 6.978 7.809 ( 0.945 -5.933 8.033) 10.031 8.002 ( 38.390 -19.608 -17.356) 46.470 8.726 ( -4.587 3.828 3.021) 6.695 9.225 ( 1.377 3.175 6.803) 7.632 9.425 ( -0.459 6.647 1.810) 6.904 9.686 ( 6.481 12.263 -7.108) 15.586 10.135 ( -1.444 1.414 1.502) 2.518 10.617 ( -5.574 8.286 -6.246) 11.779 10.807 ( -12.262 -7.204 -3.112) 14.559 11.198 ( -7.380 0.089 -12.732) 14.716 11.373 ( -9.358 -1.427 -2.664) 9.834 11.544 ( -3.461 -7.660 -11.030) 13.868 12.335 ( 6.700 12.396 3.722) 14.574 12.845 ( 5.440 12.077 7.127) 15.042 13.013 ( -14.904 14.419 8.936) 22.581 13.278 ( 4.837 1.948 2.588) 5.822 13.507 ( 3.955 5.131 20.691) 21.682 13.722 ( 3.848 -0.742 1.237) 4.110 13.949 ( 2.453 -2.445 4.826) 5.940 14.048 ( -0.351 -8.507 1.607) 8.665 14.389 ( 1.097 0.040 -2.646) 2.865 14.613 ( 0.484 -4.604 -0.243) 4.636 14.922 ( -5.746 0.356 -5.171) 7.738 15.094 ( -3.884 -1.329 -3.964) 5.706 17.149 ( 5.795 -4.888 7.126) 10.404 17.492 ( 21.093 -27.314 9.396) 35.767 18.673 ( -3.301 -1.133 -4.240) 5.492 18.742 ( -4.467 -2.467 -2.846) 5.843 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 12.266 4.741 13.593) 18.913 1.431 ( 20.639 7.352 8.553) 23.520 1.976 ( -6.137 -12.368 -5.772) 14.965 2.180 ( -5.225 -5.294 -4.529) 8.708 2.275 ( 1.041 -1.950 -4.356) 4.885 2.520 ( 10.575 0.587 0.900) 10.629 2.601 ( -1.179 0.232 2.520) 2.792 2.713 ( -3.341 -0.446 -2.810) 4.389 2.730 ( 7.220 7.951 3.688) 11.356 2.932 ( -4.756 -2.697 -5.574) 7.808 3.087 ( -7.181 4.366 0.524) 8.420 3.173 ( 10.659 13.520 -1.223) 17.260 3.437 ( 10.852 8.010 -2.298) 13.683 3.544 ( -5.462 -0.856 -0.011) 5.528 3.661 ( -8.345 -0.433 3.446) 9.039 3.844 ( 0.737 -1.311 -9.786) 9.901 4.044 ( 10.476 5.945 -0.560) 12.058 4.357 ( 2.059 -5.465 6.286) 8.580 4.680 ( 1.479 4.453 -3.562) 5.891 4.806 ( 6.807 -2.302 0.998) 7.255 4.933 ( 2.963 -5.971 -4.239) 7.900 5.066 ( 1.553 4.055 0.808) 4.417 5.220 ( -6.451 1.951 2.104) 7.060 5.480 ( -4.225 4.248 7.129) 9.313 5.622 ( -1.642 -7.635 -4.624) 9.076 5.944 ( -2.719 -3.100 2.175) 4.662 6.104 ( -12.284 -4.095 -3.943) 13.535 6.335 ( -4.160 -4.020 -0.170) 5.788 6.407 ( 6.631 13.647 1.218) 15.221 7.082 ( -3.375 0.017 -1.767) 3.810 7.264 ( -5.762 -4.225 0.216) 7.148 7.447 ( 3.177 -5.752 6.069) 8.945 7.865 ( 6.553 2.092 -0.442) 6.893 8.563 ( 8.010 -4.689 -10.734) 14.190 8.646 ( 5.398 -3.709 -10.536) 12.406 9.252 ( 0.577 -5.683 5.997) 8.282 9.489 ( 5.650 11.932 5.378) 14.255 9.761 ( 2.778 12.456 -2.801) 13.066 10.199 ( 5.847 -0.070 -1.899) 6.148 10.471 ( -8.808 9.410 -5.630) 14.065 10.514 ( -10.328 0.472 6.687) 12.313 11.011 ( -10.426 -1.923 -10.058) 14.614 11.133 ( -12.833 1.189 -0.468) 12.896 11.446 ( -6.367 -6.738 -6.884) 11.546 12.497 ( 8.125 9.549 1.817) 12.669 12.853 ( -2.700 10.963 0.221) 11.293 13.039 ( 12.122 10.479 2.911) 16.285 13.433 ( 9.000 0.813 -4.112) 9.928 13.602 ( 4.232 3.669 15.382) 16.370 13.845 ( 7.722 -2.822 2.177) 8.505 14.021 ( 4.363 -0.783 6.524) 7.887 14.047 ( -0.203 -8.962 -1.807) 9.145 14.360 ( -1.922 -0.807 1.731) 2.710 14.638 ( 0.734 -4.890 -4.974) 7.014 14.762 ( -9.492 0.422 -6.445) 11.481 14.976 ( -7.018 -1.873 -5.642) 9.198 17.335 ( 12.008 -3.834 7.269) 14.551 17.819 ( 11.422 -17.518 3.869) 21.268 18.570 ( -6.449 -1.762 -3.154) 7.391 18.599 ( -9.292 -2.456 -1.646) 9.751 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.38 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 6.091 -5.474 4.485) 9.337 1.745 ( -2.883 -3.918 -1.670) 5.143 1.884 ( 10.262 -0.059 -1.091) 10.320 2.103 ( -2.249 0.990 -2.208) 3.304 2.213 ( 1.512 2.239 -0.076) 2.703 2.487 ( -5.305 6.858 -6.930) 11.099 2.588 ( -4.243 -9.254 2.324) 10.443 2.601 ( -6.695 -1.920 -6.120) 9.271 2.830 ( -0.761 -6.610 1.347) 6.789 2.937 ( 1.827 -5.378 8.521) 10.240 3.117 ( -2.297 -2.773 -1.984) 4.112 3.301 ( -11.980 -2.433 4.976) 13.199 3.385 ( 14.809 10.494 -2.453) 18.315 3.733 ( 9.770 7.972 1.778) 12.734 3.806 ( 21.496 12.447 1.966) 24.918 3.852 ( 3.276 5.912 -10.822) 12.759 4.228 ( 4.746 6.586 0.017) 8.118 4.438 ( 4.816 -1.993 0.789) 5.272 4.667 ( -3.597 6.792 -8.098) 11.165 4.797 ( -6.197 -3.652 -9.181) 11.663 4.975 ( 0.765 -5.056 0.757) 5.169 5.146 ( 2.137 -4.965 -1.586) 5.633 5.171 ( 2.206 5.677 6.207) 8.697 5.372 ( -2.134 3.616 8.205) 9.217 5.550 ( -6.607 -2.537 -0.788) 7.121 5.768 ( -12.154 -2.802 4.573) 13.285 5.963 ( 0.447 -7.225 -8.019) 10.803 6.197 ( -7.723 -6.440 -4.608) 11.061 6.632 ( 12.555 8.267 5.258) 15.926 7.055 ( -1.089 -1.739 1.216) 2.385 7.127 ( -5.127 0.116 3.358) 6.130 7.374 ( -7.985 -6.170 14.206) 17.426 8.084 ( 12.115 6.395 -8.387) 16.063 8.476 ( -6.602 5.940 -3.083) 9.401 8.891 ( 9.892 -7.813 -11.131) 16.817 9.207 ( -4.974 -7.010 4.582) 9.741 9.642 ( 8.826 15.208 3.991) 18.031 9.860 ( 4.568 7.766 0.129) 9.011 10.273 ( -6.088 6.150 -2.011) 8.885 10.295 ( 4.356 4.281 -3.245) 6.916 10.425 ( -3.914 4.320 2.917) 6.518 10.778 ( -13.177 -0.556 -1.677) 13.295 10.932 ( -1.543 -2.209 -3.244) 4.217 11.275 ( -9.825 -6.550 -4.331) 12.577 12.651 ( 6.274 8.103 1.072) 10.304 12.812 ( -1.938 8.083 -0.061) 8.313 13.310 ( 12.556 5.807 -2.121) 13.995 13.601 ( 2.588 -0.404 2.518) 3.633 13.681 ( 7.053 2.586 -4.319) 8.665 14.002 ( -1.292 -6.960 -2.970) 7.676 14.036 ( 6.791 -4.164 0.284) 7.971 14.132 ( 5.480 -2.196 4.801) 7.609 14.335 ( -0.641 -0.326 3.159) 3.240 14.542 ( -10.943 1.306 -5.727) 12.420 14.639 ( 0.096 -3.917 -6.986) 8.009 14.819 ( -7.541 -2.105 -6.892) 10.431 17.641 ( 16.800 -2.967 6.127) 18.126 18.026 ( 9.297 -10.314 2.529) 14.115 18.349 ( -14.385 -2.481 0.654) 14.612 18.413 ( -8.630 -3.067 -1.449) 9.273 ======================= Grid point 76 (30/100) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -4.883 -6.948 -2.577) 8.875 1.616 ( 4.883 -6.948 -2.577) 8.875 2.073 ( -3.258 6.203 -0.803) 7.052 2.073 ( 3.258 6.203 -0.803) 7.052 2.379 ( -12.282 -2.897 3.394) 13.067 2.379 ( 12.282 -2.897 3.394) 13.067 2.461 ( -3.881 1.318 -8.078) 9.058 2.461 ( 3.881 1.318 -8.078) 9.058 2.933 ( -6.496 -12.971 6.144) 15.754 2.933 ( 6.496 -12.971 6.144) 15.754 3.079 ( -6.965 -2.852 5.548) 9.351 3.079 ( 6.965 -2.852 5.548) 9.351 3.653 ( -9.798 12.523 -7.330) 17.509 3.653 ( 9.798 12.523 -7.330) 17.509 4.104 ( -9.726 6.290 -6.557) 13.310 4.104 ( 9.726 6.290 -6.557) 13.310 4.352 ( -18.624 12.530 8.658) 24.059 4.352 ( 18.624 12.530 8.658) 24.059 4.640 ( -6.830 -5.026 -12.673) 15.249 4.640 ( 6.830 -5.026 -12.673) 15.249 5.042 ( -5.863 -6.593 0.333) 8.829 5.042 ( 5.863 -6.593 0.333) 8.829 5.316 ( -8.211 7.043 2.424) 11.086 5.316 ( 8.211 7.043 2.424) 11.086 5.541 ( -8.924 -2.584 6.885) 11.564 5.541 ( 8.924 -2.584 6.885) 11.564 6.044 ( -6.302 -8.341 -7.607) 12.929 6.044 ( 6.302 -8.341 -7.607) 12.929 6.887 ( -11.254 2.973 4.168) 12.364 6.887 ( 11.254 2.973 4.168) 12.364 7.196 ( -7.650 -3.053 9.331) 12.446 7.196 ( 7.650 -3.053 9.331) 12.446 8.312 ( -9.323 6.376 -6.504) 13.034 8.312 ( 9.323 6.376 -6.504) 13.034 9.070 ( -7.659 -6.135 -1.011) 9.865 9.070 ( 7.659 -6.135 -1.011) 9.865 9.826 ( -7.371 13.506 1.349) 15.445 9.826 ( 7.371 13.506 1.349) 15.445 10.282 ( -6.511 2.389 -1.027) 7.011 10.282 ( 6.511 2.389 -1.027) 7.011 10.489 ( -12.818 3.747 -0.196) 13.356 10.489 ( 12.818 3.747 -0.196) 13.356 11.057 ( -10.101 -5.891 -3.008) 12.074 11.057 ( 10.101 -5.891 -3.008) 12.074 12.755 ( -3.744 7.592 0.549) 8.483 12.755 ( 3.744 7.592 0.549) 8.483 13.527 ( -7.631 2.544 0.450) 8.056 13.527 ( 7.631 2.544 0.450) 8.056 13.876 ( -8.755 -2.570 -8.433) 12.424 13.876 ( 8.755 -2.570 -8.433) 12.424 14.185 ( -3.273 -6.495 1.188) 7.370 14.185 ( 3.273 -6.495 1.188) 7.370 14.353 ( -5.026 2.782 0.495) 5.766 14.353 ( 5.026 2.782 0.495) 5.766 14.685 ( -4.706 -2.571 -7.355) 9.102 14.685 ( 4.706 -2.571 -7.355) 9.102 18.008 ( -17.589 -2.550 3.539) 18.122 18.008 ( 17.589 -2.550 3.539) 18.122 18.222 ( -9.375 -5.780 0.678) 11.035 18.222 ( 9.375 -5.780 0.678) 11.035 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.000 20.731 8.881) 22.553 1.268 ( 0.000 23.978 7.564) 25.143 1.799 ( 0.000 -8.275 -4.594) 9.465 1.988 ( 0.000 10.643 13.936) 17.535 2.156 ( 0.000 -14.249 -7.351) 16.034 2.174 ( 0.000 -12.898 5.305) 13.946 2.501 ( 0.000 2.458 -3.719) 4.458 2.828 ( 0.000 9.342 1.784) 9.511 2.944 ( 0.000 -3.544 -9.257) 9.913 3.079 ( 0.000 10.078 -1.378) 10.172 3.250 ( 0.000 0.077 -1.609) 1.611 3.485 ( 0.000 1.741 -4.361) 4.696 3.630 ( 0.000 6.679 0.128) 6.680 3.666 ( 0.000 -10.119 -0.344) 10.125 3.771 ( 0.000 6.550 6.898) 9.513 3.908 ( 0.000 2.292 0.313) 2.313 4.023 ( 0.000 4.872 -22.398) 22.922 4.149 ( 0.000 -8.100 8.482) 11.729 4.377 ( 0.000 3.099 -5.066) 5.938 4.582 ( 0.000 -10.317 2.369) 10.585 4.703 ( 0.000 5.147 -8.462) 9.905 5.142 ( 0.000 -12.330 -4.605) 13.162 5.451 ( 0.000 7.957 18.844) 20.455 5.816 ( 0.000 14.521 -2.084) 14.669 5.863 ( 0.000 1.264 7.367) 7.475 5.985 ( 0.000 -7.104 -5.123) 8.759 6.156 ( 0.000 -0.480 0.109) 0.493 6.514 ( 0.000 -10.431 5.289) 11.695 6.670 ( 0.000 -0.380 -8.779) 8.787 6.762 ( 0.000 2.511 -9.964) 10.276 7.183 ( 0.000 1.714 -8.334) 8.508 7.316 ( 0.000 3.450 9.003) 9.641 7.360 ( 0.000 -5.719 -2.251) 6.146 7.621 ( 0.000 -9.284 7.674) 12.045 8.881 ( 0.000 6.849 1.793) 7.080 9.216 ( 0.000 -6.467 1.082) 6.557 9.602 ( 0.000 10.304 5.741) 11.795 9.756 ( 0.000 5.909 -7.006) 9.165 10.281 ( 0.000 7.699 -1.085) 7.775 10.700 ( 0.000 -11.801 -7.111) 13.778 10.868 ( 0.000 10.411 -7.827) 13.024 11.286 ( 0.000 0.209 -9.536) 9.539 11.325 ( 0.000 -11.275 -8.430) 14.078 11.430 ( 0.000 -5.851 -5.198) 7.826 12.650 ( 0.000 23.485 2.771) 23.648 13.077 ( 0.000 15.680 4.656) 16.357 13.206 ( 0.000 1.564 3.547) 3.876 13.344 ( 0.000 -2.938 3.138) 4.299 13.560 ( 0.000 -2.573 14.886) 15.107 13.665 ( 0.000 -4.737 -1.081) 4.859 13.760 ( 0.000 -3.045 1.373) 3.340 13.972 ( 0.000 -5.511 14.307) 15.332 14.386 ( 0.000 1.176 -2.583) 2.838 14.502 ( 0.000 -6.838 3.395) 7.634 15.028 ( 0.000 2.047 -3.921) 4.423 15.109 ( 0.000 -1.613 -3.363) 3.730 16.824 ( 0.000 -4.930 17.117) 17.812 16.964 ( 0.000 -7.229 6.145) 9.488 18.688 ( 0.000 -0.677 -4.313) 4.366 18.731 ( 0.000 -2.835 -3.422) 4.444 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.12 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 6.910 14.618 9.263) 18.634 1.420 ( 9.047 20.703 10.772) 25.030 1.785 ( -0.691 -9.030 -2.907) 9.511 2.095 ( 0.508 -8.466 -1.074) 8.549 2.140 ( 7.456 -1.849 2.274) 8.012 2.240 ( 2.320 -12.457 2.462) 12.909 2.535 ( 2.639 1.926 -4.298) 5.398 2.793 ( 0.370 9.297 1.506) 9.425 2.914 ( -5.775 0.310 -1.437) 5.960 3.044 ( -0.993 7.545 -3.700) 8.462 3.276 ( 3.594 3.210 -5.179) 7.075 3.469 ( -5.345 9.669 -0.061) 11.048 3.538 ( -9.621 -0.559 -4.649) 10.700 3.558 ( -3.434 1.251 1.326) 3.888 3.746 ( 0.741 -3.098 -0.027) 3.186 3.926 ( -5.478 3.498 -11.886) 13.547 3.989 ( 6.227 8.161 -0.585) 10.282 4.180 ( 4.037 -3.526 9.599) 10.994 4.533 ( 9.147 -1.387 -4.760) 10.404 4.622 ( 4.190 -11.880 2.241) 12.795 4.728 ( 2.627 3.598 -6.061) 7.522 5.089 ( -3.854 -9.349 -5.205) 11.373 5.394 ( -4.904 5.211 13.887) 15.622 5.704 ( -9.214 2.760 -4.813) 10.755 5.791 ( -8.134 8.616 3.203) 12.274 5.895 ( 1.718 3.169 6.159) 7.136 6.183 ( -2.333 -5.292 -0.762) 5.834 6.345 ( -9.426 -8.900 2.246) 13.157 6.607 ( 1.007 11.083 -5.768) 12.535 7.010 ( 5.304 -10.103 -6.467) 13.115 7.251 ( 0.051 0.416 2.727) 2.759 7.303 ( 2.060 -0.629 -0.839) 2.312 7.662 ( 14.679 -5.146 7.212) 17.146 7.772 ( 24.350 -7.327 -11.607) 27.952 8.837 ( -3.688 7.277 1.563) 8.306 9.175 ( -3.141 -6.888 1.858) 7.795 9.642 ( 4.410 12.817 3.782) 14.072 9.862 ( 8.020 4.411 -5.812) 10.843 10.219 ( -4.371 7.340 0.264) 8.546 10.618 ( -7.275 -10.355 -1.868) 12.792 10.820 ( -4.454 10.867 -8.103) 14.268 11.205 ( -7.079 1.045 -9.647) 12.011 11.279 ( -5.280 -9.156 -7.083) 12.723 11.379 ( -4.221 -6.975 -5.639) 9.913 12.691 ( 3.662 22.043 2.739) 22.512 13.132 ( 4.895 14.257 2.890) 15.349 13.213 ( -2.611 6.059 0.638) 6.629 13.322 ( 2.201 1.546 2.857) 3.924 13.586 ( 2.629 -4.051 11.748) 12.701 13.685 ( 1.536 -1.959 4.130) 4.822 13.793 ( 2.644 -7.196 0.002) 7.666 13.948 ( -0.279 -2.761 12.453) 12.758 14.379 ( -1.186 -0.498 -0.018) 1.286 14.499 ( 0.402 -6.065 -0.226) 6.082 14.943 ( -6.536 1.908 -4.453) 8.136 15.055 ( -4.944 -2.582 -4.012) 6.871 17.027 ( 9.459 -6.377 8.762) 14.384 17.090 ( 16.819 -11.622 10.076) 22.793 18.650 ( -3.723 -0.905 -4.008) 5.545 18.685 ( -4.396 -2.740 -3.169) 6.073 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 5.674 7.231 14.259) 16.964 1.599 ( 10.071 10.435 6.815) 16.024 1.751 ( -3.297 -8.254 -1.884) 9.086 2.043 ( -1.862 -6.923 -1.347) 7.294 2.236 ( -0.804 -9.606 6.758) 11.772 2.309 ( 4.706 -15.245 -5.375) 16.836 2.515 ( -4.683 0.370 -3.308) 5.745 2.734 ( -5.904 -1.221 -2.587) 6.561 2.954 ( -7.846 4.888 -3.277) 9.808 3.038 ( 11.767 19.285 2.758) 22.759 3.238 ( -8.436 7.032 -3.954) 11.672 3.334 ( -6.441 -4.179 0.085) 7.679 3.445 ( 3.780 4.240 -7.187) 9.161 3.612 ( 3.607 -1.390 0.864) 3.961 3.757 ( 9.780 9.687 0.353) 13.770 3.904 ( 4.259 6.421 -8.450) 11.436 4.178 ( 10.085 8.021 -3.306) 13.303 4.318 ( 7.598 1.507 6.446) 10.077 4.643 ( 1.949 -5.644 0.659) 6.008 4.742 ( 5.801 -8.616 -2.884) 10.779 4.829 ( 5.996 -2.249 -0.164) 6.405 5.016 ( -2.808 -6.808 -6.136) 9.586 5.294 ( -3.312 6.545 9.214) 11.777 5.583 ( -3.835 0.354 -7.393) 8.336 5.608 ( -8.526 7.714 3.427) 11.998 5.898 ( -2.137 -0.036 4.732) 5.193 5.987 ( -14.636 -7.049 1.758) 16.339 6.204 ( -5.975 -8.493 -1.487) 10.490 6.660 ( 4.618 11.441 0.484) 12.348 7.038 ( -0.770 -5.931 -3.251) 6.807 7.203 ( -3.481 -0.256 6.681) 7.538 7.324 ( -1.669 -5.411 10.395) 11.837 7.950 ( 15.316 6.395 -6.890) 17.971 8.334 ( 22.677 -12.111 -14.386) 29.460 8.748 ( -4.630 8.109 0.535) 9.353 9.111 ( -2.890 -8.312 3.649) 9.527 9.786 ( 9.076 15.295 2.393) 17.946 9.982 ( 1.710 9.113 -2.987) 9.741 10.211 ( 5.572 1.137 -1.352) 5.845 10.463 ( -5.471 -5.637 4.191) 8.903 10.689 ( -7.721 11.605 -6.296) 15.295 11.003 ( -11.910 1.794 -8.936) 14.997 11.103 ( -10.919 -5.133 -4.035) 12.722 11.266 ( -6.846 -10.061 -5.027) 13.166 12.790 ( 5.477 19.145 2.312) 20.046 13.119 ( -4.089 13.219 0.903) 13.866 13.270 ( 7.526 10.821 0.094) 13.181 13.439 ( 6.904 -0.649 -2.296) 7.305 13.653 ( 3.000 -4.461 11.111) 12.343 13.747 ( 4.830 -4.941 -1.967) 7.184 13.851 ( 2.958 -6.078 1.504) 6.925 13.990 ( 3.461 -2.762 7.835) 9.000 14.348 ( -1.157 0.337 1.436) 1.875 14.515 ( 0.781 -6.764 -3.963) 7.878 14.784 ( -8.674 1.992 -6.294) 10.901 14.921 ( -7.428 -3.563 -5.811) 10.081 17.257 ( 13.615 -2.889 7.514) 15.817 17.466 ( 16.862 -15.103 7.319) 23.791 18.532 ( -7.672 -1.733 -2.845) 8.364 18.545 ( -8.982 -2.462 -2.117) 9.551 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 1.496 5.123 10.586) 11.855 1.655 ( -5.081 -1.903 0.288) 5.434 1.853 ( 12.455 -3.000 3.828) 13.370 2.046 ( 2.072 -7.165 0.129) 7.460 2.254 ( 2.631 -9.186 6.187) 11.383 2.363 ( 0.243 -10.114 -3.342) 10.655 2.425 ( -2.342 0.245 -0.026) 2.354 2.615 ( -7.568 -1.586 -2.713) 8.194 2.791 ( -4.189 3.341 1.322) 5.519 2.921 ( -9.910 5.777 1.200) 11.534 3.058 ( -8.690 -4.149 -1.410) 9.732 3.220 ( -12.723 -5.317 1.249) 13.845 3.647 ( 18.526 14.460 -7.542) 24.682 3.933 ( 18.916 6.479 -9.165) 21.996 3.972 ( 4.791 10.399 -11.063) 15.921 4.137 ( 19.395 15.178 2.074) 24.715 4.352 ( 6.271 3.474 -1.871) 7.409 4.436 ( 3.229 2.816 -1.723) 4.618 4.626 ( -5.321 -5.609 -11.870) 14.166 4.827 ( 1.845 -2.371 4.520) 5.428 4.877 ( 0.954 -2.755 0.962) 3.070 5.007 ( -2.602 -4.741 -1.196) 5.539 5.269 ( -0.454 0.905 13.508) 13.546 5.418 ( -2.000 4.938 1.012) 5.423 5.570 ( -3.609 2.596 -0.927) 4.541 5.675 ( -11.559 -7.785 2.986) 14.252 5.824 ( -3.369 -3.973 -1.007) 5.306 6.042 ( -9.176 -8.357 -5.534) 13.589 6.798 ( 7.880 7.854 5.561) 12.438 7.019 ( -0.928 -2.321 0.678) 2.590 7.124 ( -3.400 0.037 6.331) 7.186 7.236 ( -6.051 -6.519 13.332) 16.026 8.255 ( 13.020 10.183 -8.655) 18.658 8.629 ( -4.174 7.998 -2.115) 9.266 8.704 ( 10.874 -9.413 -8.912) 16.920 9.039 ( -4.598 -9.553 3.100) 11.046 9.997 ( 9.577 18.375 3.438) 21.004 10.042 ( 6.879 9.753 -2.591) 12.213 10.342 ( 5.432 -0.151 -2.728) 6.081 10.420 ( -2.719 5.755 -1.383) 6.514 10.545 ( -4.010 7.094 1.765) 8.338 10.742 ( -11.140 -0.922 -6.993) 13.185 10.862 ( -10.031 -5.642 -1.836) 11.654 11.091 ( -9.690 -11.189 -3.181) 15.140 12.902 ( 4.895 16.723 2.001) 17.539 13.050 ( -2.790 14.675 1.298) 14.994 13.429 ( 7.100 3.435 0.059) 7.887 13.558 ( 3.111 -5.221 0.048) 6.078 13.716 ( 3.980 -1.899 -0.868) 4.494 13.846 ( 2.347 -4.090 -3.348) 5.783 13.928 ( 5.127 -5.771 -1.361) 7.838 14.055 ( 2.012 -5.309 3.524) 6.682 14.347 ( 1.280 1.969 0.694) 2.449 14.536 ( 1.729 -5.990 -6.114) 8.732 14.589 ( -9.470 3.408 -6.661) 12.069 14.758 ( -7.839 -3.906 -6.941) 11.175 17.587 ( 17.532 -1.420 6.176) 18.642 17.792 ( 14.654 -11.467 4.644) 19.178 18.299 ( -14.126 -1.939 0.259) 14.261 18.341 ( -10.946 -3.618 -0.890) 11.563 ======================= Grid point 85 (35/100) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -3.654 2.809 4.662) 6.556 1.558 ( 3.654 2.809 4.662) 6.556 2.052 ( -4.596 -11.196 1.563) 12.203 2.052 ( 4.596 -11.196 1.563) 12.203 2.323 ( -3.215 -0.189 2.536) 4.099 2.323 ( 3.215 -0.189 2.536) 4.099 2.448 ( -5.169 -3.780 -2.163) 6.759 2.448 ( 5.169 -3.780 -2.163) 6.759 2.789 ( -2.325 1.577 2.468) 3.740 2.789 ( 2.325 1.577 2.468) 3.740 3.007 ( -5.439 -4.523 2.965) 7.670 3.007 ( 5.439 -4.523 2.965) 7.670 3.930 ( -8.265 14.222 -13.160) 21.066 3.930 ( 8.265 14.222 -13.160) 21.066 4.292 ( -11.441 11.008 -8.021) 17.788 4.292 ( 11.441 11.008 -8.021) 17.788 4.463 ( -3.515 -7.992 -10.754) 13.852 4.463 ( 3.515 -7.992 -10.754) 13.852 4.675 ( -20.745 13.442 5.403) 25.303 4.675 ( 20.745 13.442 5.403) 25.303 4.893 ( -2.794 -6.541 1.855) 7.350 4.893 ( 2.794 -6.541 1.855) 7.350 5.365 ( -9.603 -8.028 14.525) 19.174 5.365 ( 9.603 -8.028 14.525) 19.174 5.529 ( -7.768 6.250 -0.767) 9.999 5.529 ( 7.768 6.250 -0.767) 9.999 5.860 ( -6.864 -9.073 -7.310) 13.523 5.860 ( 6.864 -9.073 -7.310) 13.523 6.954 ( -6.089 3.673 5.963) 9.281 6.954 ( 6.089 3.673 5.963) 9.281 7.119 ( -3.674 -4.323 8.346) 10.092 7.119 ( 3.674 -4.323 8.346) 10.092 8.482 ( -8.855 10.120 -5.282) 14.447 8.482 ( 8.855 10.120 -5.282) 14.447 8.908 ( -7.911 -9.716 -1.885) 12.670 8.908 ( 7.911 -9.716 -1.885) 12.670 10.154 ( -4.308 17.527 -0.175) 18.050 10.154 ( 4.308 17.527 -0.175) 18.050 10.375 ( -7.779 6.745 -2.340) 10.559 10.375 ( 7.779 6.745 -2.340) 10.559 10.529 ( -10.408 -0.426 -1.102) 10.475 10.529 ( 10.408 -0.426 -1.102) 10.475 10.881 ( -9.288 -11.687 -1.801) 15.036 10.881 ( 9.288 -11.687 -1.801) 15.036 12.988 ( -3.376 15.336 1.748) 15.800 12.988 ( 3.376 15.336 1.748) 15.800 13.546 ( -3.677 -3.788 2.066) 5.668 13.546 ( 3.677 -3.788 2.066) 5.668 13.816 ( -4.284 -0.991 -5.578) 7.102 13.816 ( 4.284 -0.991 -5.578) 7.102 14.039 ( -3.883 -7.741 -1.651) 8.817 14.039 ( 3.883 -7.741 -1.651) 8.817 14.419 ( -6.025 4.019 -2.929) 7.813 14.419 ( 6.025 4.019 -2.929) 7.813 14.612 ( -5.669 -4.546 -6.810) 9.959 14.612 ( 5.669 -4.546 -6.810) 9.959 17.962 ( -17.524 -1.367 3.309) 17.886 17.962 ( 17.524 -1.367 3.309) 17.886 18.085 ( -13.210 -6.964 1.853) 15.048 18.085 ( 13.210 -6.964 1.853) 15.048 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.000 -8.950 -1.645) 9.100 1.584 ( 0.000 8.950 -1.645) 9.100 1.786 ( 0.000 -18.194 3.872) 18.602 1.786 ( 0.000 18.194 3.872) 18.602 1.970 ( 0.000 -1.900 0.599) 1.992 1.970 ( 0.000 1.900 0.599) 1.992 2.792 ( 0.000 -13.266 -5.021) 14.185 2.792 ( 0.000 13.266 -5.021) 14.185 3.078 ( 0.000 -14.427 5.961) 15.610 3.078 ( 0.000 14.427 5.961) 15.610 3.338 ( 0.000 -14.957 -1.563) 15.039 3.338 ( 0.000 14.957 -1.563) 15.039 3.593 ( 0.000 -5.046 -0.730) 5.099 3.593 ( 0.000 5.046 -0.730) 5.099 3.954 ( 0.000 -10.337 8.132) 13.152 3.954 ( 0.000 10.337 8.132) 13.152 4.062 ( 0.000 -5.757 -10.345) 11.839 4.062 ( 0.000 5.757 -10.345) 11.839 4.432 ( 0.000 -2.902 -8.663) 9.136 4.432 ( 0.000 2.902 -8.663) 9.136 4.877 ( 0.000 -12.452 -2.850) 12.774 4.877 ( 0.000 12.452 -2.850) 12.774 5.669 ( 0.000 -12.990 15.714) 20.388 5.669 ( 0.000 12.990 15.714) 20.388 5.990 ( 0.000 -0.502 -6.735) 6.754 5.990 ( 0.000 0.502 -6.735) 6.754 6.242 ( 0.000 -11.458 4.017) 12.142 6.242 ( 0.000 11.458 4.017) 12.142 6.748 ( 0.000 -3.500 -11.636) 12.151 6.748 ( 0.000 3.500 -11.636) 12.151 7.253 ( 0.000 -4.807 -4.301) 6.450 7.253 ( 0.000 4.807 -4.301) 6.450 7.437 ( 0.000 -8.430 9.284) 12.540 7.437 ( 0.000 8.430 9.284) 12.540 9.045 ( 0.000 -9.185 0.461) 9.196 9.045 ( 0.000 9.185 0.461) 9.196 9.770 ( 0.000 -4.590 -0.249) 4.597 9.770 ( 0.000 4.590 -0.249) 4.597 10.472 ( 0.000 -10.803 -2.480) 11.084 10.472 ( 0.000 10.803 -2.480) 11.084 11.088 ( 0.000 -11.645 -9.657) 15.128 11.088 ( 0.000 11.645 -9.657) 15.128 11.328 ( 0.000 -4.029 -5.375) 6.718 11.328 ( 0.000 4.029 -5.375) 6.718 13.105 ( 0.000 -17.777 -0.019) 17.777 13.105 ( 0.000 17.777 -0.019) 17.777 13.285 ( 0.000 -2.945 3.241) 4.379 13.285 ( 0.000 2.945 3.241) 4.379 13.495 ( 0.000 -8.885 1.995) 9.106 13.495 ( 0.000 8.885 1.995) 9.106 13.858 ( 0.000 -6.717 15.691) 17.068 13.858 ( 0.000 6.717 15.691) 17.068 14.405 ( 0.000 -2.270 1.245) 2.589 14.405 ( 0.000 2.270 1.245) 2.589 15.071 ( 0.000 -2.138 -3.407) 4.022 15.071 ( 0.000 2.138 -3.407) 4.022 16.836 ( 0.000 -4.652 8.293) 9.508 16.836 ( 0.000 4.652 8.293) 9.508 18.690 ( 0.000 -1.052 -3.885) 4.025 18.690 ( 0.000 1.052 -3.885) 4.025 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 0.177 -11.229 -0.229) 11.233 1.570 ( 0.177 11.229 -0.229) 11.233 1.874 ( 3.211 -19.739 11.643) 23.141 1.874 ( 3.211 19.739 11.643) 23.141 2.000 ( 3.656 -2.829 -4.787) 6.655 2.000 ( 3.656 2.829 -4.787) 6.655 2.742 ( -4.450 -10.427 -8.298) 14.049 2.742 ( -4.450 10.427 -8.298) 14.049 3.130 ( 6.789 -12.925 5.542) 15.616 3.130 ( 6.789 12.925 5.542) 15.616 3.286 ( -4.543 -11.437 -1.582) 12.408 3.286 ( -4.543 11.437 -1.582) 12.408 3.630 ( -1.115 -6.200 -0.948) 6.370 3.630 ( -1.115 6.200 -0.948) 6.370 3.802 ( -5.048 -11.420 -1.032) 12.529 3.802 ( -5.048 11.420 -1.032) 12.529 4.191 ( 8.226 -6.521 -3.421) 11.040 4.191 ( 8.226 6.521 -3.421) 11.040 4.464 ( 2.537 -1.716 -2.524) 3.969 4.464 ( 2.537 1.716 -2.524) 3.969 4.874 ( -0.025 -10.557 -3.079) 10.997 4.874 ( -0.025 10.557 -3.079) 10.997 5.563 ( -6.637 -10.273 7.226) 14.206 5.563 ( -6.637 10.273 7.226) 14.206 5.982 ( -3.049 -5.395 -0.790) 6.247 5.982 ( -3.049 5.395 -0.790) 6.247 6.140 ( -7.012 -7.963 2.967) 11.017 6.140 ( -7.012 7.963 2.967) 11.017 6.813 ( 3.384 -9.768 -6.441) 12.180 6.813 ( 3.384 9.768 -6.441) 12.180 7.281 ( -0.084 -1.810 4.475) 4.828 7.281 ( -0.084 1.810 4.475) 4.828 7.654 ( 20.161 -3.795 -3.908) 20.884 7.654 ( 20.161 3.795 -3.908) 20.884 9.006 ( -3.282 -9.147 1.090) 9.779 9.006 ( -3.282 9.147 1.090) 9.779 9.845 ( 6.651 -6.161 -0.996) 9.121 9.845 ( 6.651 6.161 -0.996) 9.121 10.407 ( -5.367 -10.527 -0.025) 11.817 10.407 ( -5.367 10.527 -0.025) 11.817 11.048 ( -3.860 -11.935 -9.790) 15.912 11.048 ( -3.860 11.935 -9.790) 15.912 11.265 ( -5.848 -4.647 -5.201) 9.102 11.265 ( -5.848 4.647 -5.201) 9.102 13.128 ( 2.111 -17.296 0.134) 17.425 13.128 ( 2.111 17.296 0.134) 17.425 13.325 ( 3.057 -1.119 2.781) 4.281 13.325 ( 3.057 1.119 2.781) 4.281 13.518 ( 2.385 -9.341 1.132) 9.707 13.518 ( 2.385 9.341 1.132) 9.707 13.864 ( 0.857 -6.064 13.281) 14.625 13.864 ( 0.857 6.064 13.281) 14.625 14.401 ( -0.354 -3.161 0.548) 3.227 14.401 ( -0.354 3.161 0.548) 3.227 14.996 ( -6.244 -3.084 -4.221) 8.143 14.996 ( -6.244 3.084 -4.221) 8.143 16.969 ( 11.558 -1.600 8.323) 14.333 16.969 ( 11.558 1.600 8.323) 14.333 18.647 ( -4.136 -0.874 -3.622) 5.567 18.647 ( -4.136 0.874 -3.622) 5.567 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 2.586 -7.074 2.277) 7.868 1.601 ( 2.586 7.074 2.277) 7.868 1.871 ( -2.133 -13.706 13.235) 19.172 1.871 ( -2.133 13.706 13.235) 19.172 2.079 ( 3.433 -3.471 -2.257) 5.378 2.079 ( 3.433 3.471 -2.257) 5.378 2.632 ( -5.216 -7.469 -5.402) 10.591 2.632 ( -5.216 7.469 -5.402) 10.591 3.115 ( -9.392 -9.902 -1.620) 13.744 3.115 ( -9.392 9.902 -1.620) 13.744 3.341 ( -4.763 -8.282 -8.450) 12.755 3.341 ( -4.763 8.282 -8.450) 12.755 3.518 ( 10.081 -7.819 3.102) 13.130 3.518 ( 10.081 7.819 3.102) 13.130 3.919 ( 11.562 -6.067 -2.928) 13.382 3.919 ( 11.562 6.067 -2.928) 13.382 4.359 ( 6.605 -6.145 -5.744) 10.695 4.359 ( 6.605 6.145 -5.744) 10.695 4.553 ( 6.442 -5.659 4.139) 9.522 4.553 ( 6.442 5.659 4.139) 9.522 4.870 ( -0.550 -6.804 0.110) 6.827 4.870 ( -0.550 6.804 0.110) 6.827 5.475 ( -1.350 -9.632 -1.252) 9.807 5.475 ( -1.350 9.632 -1.252) 9.807 5.791 ( -13.963 -9.602 3.720) 17.349 5.791 ( -13.963 9.602 3.720) 17.349 6.025 ( -5.226 -8.581 0.635) 10.067 6.025 ( -5.226 8.581 0.635) 10.067 6.871 ( 2.678 -9.769 -1.140) 10.194 6.871 ( 2.678 9.769 -1.140) 10.194 7.240 ( -3.509 -3.200 9.711) 10.810 7.240 ( -3.509 3.200 9.711) 10.810 8.114 ( 20.832 -9.820 -10.801) 25.438 8.114 ( 20.832 9.820 -10.801) 25.438 8.928 ( -3.929 -9.558 1.892) 10.506 8.928 ( -3.929 9.558 1.892) 10.506 10.020 ( 9.416 -6.627 -2.640) 11.813 10.020 ( 9.416 6.627 -2.640) 11.813 10.307 ( -2.351 -8.686 3.663) 9.715 10.307 ( -2.351 8.686 3.663) 9.715 10.922 ( -8.386 -11.404 -9.132) 16.845 10.922 ( -8.386 11.404 -9.132) 16.845 11.095 ( -10.083 -6.846 -3.557) 12.696 11.095 ( -10.083 6.846 -3.557) 12.696 13.187 ( 3.418 -15.796 0.359) 16.165 13.187 ( 3.418 15.796 0.359) 16.165 13.368 ( 0.591 -4.570 3.977) 6.087 13.368 ( 0.591 4.570 3.977) 6.087 13.607 ( 6.129 -7.855 -3.478) 10.553 13.607 ( 6.129 7.855 -3.478) 10.553 13.901 ( 2.483 -5.734 8.266) 10.362 13.901 ( 2.483 5.734 8.266) 10.362 14.396 ( 0.148 -4.530 -1.242) 4.699 14.396 ( 0.148 4.530 -1.242) 4.699 14.844 ( -7.953 -3.818 -6.044) 10.694 14.844 ( -7.953 3.818 -6.044) 10.694 17.266 ( 16.035 -4.784 7.830) 18.475 17.266 ( 16.035 4.784 7.830) 18.475 18.515 ( -8.555 -0.330 -2.518) 8.924 18.515 ( -8.555 0.330 -2.518) 8.924 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 3.682 -3.575 4.972) 7.145 1.669 ( 3.682 3.575 4.972) 7.145 1.815 ( -3.019 -7.633 9.638) 12.660 1.815 ( -3.019 7.633 9.638) 12.660 2.178 ( 6.827 -3.761 0.171) 7.796 2.178 ( 6.827 3.761 0.171) 7.796 2.534 ( -5.148 -5.457 -1.721) 7.697 2.534 ( -5.148 5.457 -1.721) 7.697 2.914 ( -7.478 -7.080 -0.557) 10.313 2.914 ( -7.478 7.080 -0.557) 10.313 3.092 ( -12.168 -7.156 -0.283) 14.119 3.092 ( -12.168 7.156 -0.283) 14.119 3.894 ( 17.764 -8.460 -13.037) 23.603 3.894 ( 17.764 8.460 -13.037) 23.603 4.219 ( 15.247 -9.294 -5.200) 18.598 4.219 ( 15.247 9.294 -5.200) 18.598 4.408 ( -1.538 -5.449 -10.898) 12.281 4.408 ( -1.538 5.449 -10.898) 12.281 4.699 ( 4.106 -10.437 2.845) 11.570 4.699 ( 4.106 10.437 2.845) 11.570 4.875 ( 3.403 -8.783 9.314) 13.247 4.875 ( 3.403 8.783 9.314) 13.247 5.424 ( -13.855 -13.304 7.360) 20.571 5.424 ( -13.855 13.304 7.360) 20.571 5.545 ( 1.652 -5.565 -3.064) 6.564 5.545 ( 1.652 5.565 -3.064) 6.564 5.881 ( -8.467 -7.259 -1.909) 11.315 5.881 ( -8.467 7.259 -1.909) 11.315 6.938 ( 3.861 -5.897 3.158) 7.724 6.938 ( 3.861 5.897 3.158) 7.724 7.145 ( -5.285 -2.455 10.127) 11.684 7.145 ( -5.285 2.455 10.127) 11.684 8.474 ( 13.570 -11.379 -8.817) 19.783 8.474 ( 13.570 11.379 -8.817) 19.783 8.836 ( -5.231 -10.385 0.759) 11.653 8.836 ( -5.231 10.385 0.759) 11.653 10.206 ( 8.562 -4.126 -3.372) 10.084 10.206 ( 8.562 4.126 -3.372) 10.084 10.375 ( 8.734 -8.648 3.895) 12.893 10.375 ( 8.734 8.648 3.895) 12.893 10.699 ( -12.488 -9.131 -7.294) 17.103 10.699 ( -12.488 9.131 -7.294) 17.103 10.862 ( -11.831 -10.779 -1.044) 16.039 10.862 ( -11.831 10.779 -1.044) 16.039 13.261 ( 3.375 -13.273 1.022) 13.734 13.261 ( 3.375 13.273 1.022) 13.734 13.359 ( -1.195 -8.228 3.900) 9.184 13.359 ( -1.195 8.228 3.900) 9.184 13.754 ( 7.391 -6.683 -6.203) 11.737 13.754 ( 7.391 6.683 -6.203) 11.737 13.939 ( 0.299 -5.565 2.580) 6.141 13.939 ( 0.299 5.565 2.580) 6.141 14.420 ( 2.493 -5.122 -3.447) 6.658 14.420 ( 2.493 5.122 -3.447) 6.658 14.671 ( -8.338 -4.529 -6.934) 11.752 14.671 ( -8.338 4.529 -6.934) 11.752 17.619 ( 17.437 -5.161 5.890) 19.115 17.619 ( 17.437 5.161 5.890) 19.115 18.289 ( -13.059 -1.176 -0.276) 13.114 18.289 ( -13.059 1.176 -0.276) 13.114 ======================= Grid point 98 (40/100) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -0.974 -14.862 7.022) 16.466 1.746 ( 0.146 -14.854 7.022) 16.431 1.746 ( -0.146 14.854 7.022) 16.431 1.746 ( 0.974 14.862 7.022) 16.466 2.366 ( -9.847 -3.310 -0.506) 10.401 2.366 ( -7.435 0.733 -0.506) 7.488 2.366 ( 7.435 -0.733 -0.506) 7.488 2.366 ( 9.847 3.310 -0.506) 10.401 2.896 ( -5.060 -6.360 1.540) 8.272 2.896 ( 3.013 -6.026 1.540) 6.911 2.896 ( -3.013 6.026 1.540) 6.911 2.896 ( 5.060 6.360 1.540) 8.272 4.203 ( -9.561 -12.426 -16.638) 22.861 4.203 ( 3.099 -11.573 -16.638) 20.503 4.203 ( -3.099 11.573 -16.638) 20.503 4.203 ( 9.561 12.426 -16.638) 22.861 4.592 ( -11.714 -13.202 -4.081) 18.116 4.592 ( 8.478 -12.568 -4.081) 15.700 4.592 ( -8.478 12.568 -4.081) 15.700 4.592 ( 11.714 13.202 -4.081) 18.116 5.090 ( -12.845 -16.550 15.106) 25.828 5.090 ( 5.940 -15.540 15.106) 22.471 5.090 ( -5.940 15.540 15.106) 22.471 5.090 ( 12.845 16.550 15.106) 25.828 5.690 ( -8.233 -8.106 -4.038) 12.239 5.690 ( 2.984 -7.141 -4.038) 8.729 5.690 ( -2.984 7.141 -4.038) 8.729 5.690 ( 8.233 8.106 -4.038) 12.239 7.033 ( -3.677 -3.762 7.332) 9.024 7.033 ( -1.480 -3.364 7.332) 8.202 7.033 ( 1.480 3.364 7.332) 8.202 7.033 ( 3.677 3.762 7.332) 9.024 8.697 ( -8.314 -11.033 -3.465) 14.242 8.697 ( 8.241 -11.019 -3.465) 14.189 8.697 ( -8.241 11.019 -3.465) 14.189 8.697 ( 8.314 11.033 -3.465) 14.242 10.423 ( -12.127 -7.330 -3.553) 14.609 10.423 ( 11.915 -7.242 -3.553) 14.389 10.423 ( -11.915 7.242 -3.553) 14.389 10.423 ( 12.127 7.330 -3.553) 14.609 10.611 ( -11.793 -13.618 0.310) 18.017 10.611 ( 11.792 -13.617 0.310) 18.016 10.611 ( -11.792 13.617 0.310) 18.016 10.611 ( 11.793 13.618 0.310) 18.017 13.322 ( -1.662 -16.268 2.437) 16.533 13.322 ( 1.461 -16.263 2.437) 16.509 13.322 ( -1.461 16.263 2.437) 16.509 13.322 ( 1.662 16.268 2.437) 16.533 13.890 ( -4.711 -6.691 -3.532) 8.913 13.890 ( 3.947 -6.566 -3.532) 8.437 13.890 ( -3.947 6.566 -3.532) 8.437 13.890 ( 4.711 6.691 -3.532) 8.913 14.512 ( -6.367 -5.132 -5.561) 9.890 14.512 ( 6.364 -5.131 -5.561) 9.887 14.512 ( -6.364 5.131 -5.561) 9.887 14.512 ( 6.367 5.132 -5.561) 9.890 17.978 ( -16.427 -3.245 2.813) 16.979 17.978 ( -16.379 3.184 2.813) 16.921 17.978 ( 16.379 -3.184 2.813) 16.921 17.978 ( 16.427 3.245 2.813) 16.979 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 0.000 24.317) 24.317 1.085 ( 0.000 0.000 25.676) 25.676 2.094 ( 0.000 0.000 48.426) 48.426 2.141 ( 0.000 0.000 -6.488) 6.488 2.164 ( 0.000 0.000 -10.708) 10.708 2.388 ( 0.000 0.000 5.169) 5.169 2.527 ( 0.000 0.000 -7.427) 7.427 2.706 ( 0.000 0.000 -10.647) 10.647 2.751 ( 0.000 0.000 -18.535) 18.535 2.859 ( 0.000 0.000 -2.797) 2.797 2.905 ( 0.000 0.000 0.562) 0.562 3.182 ( 0.000 0.000 -8.918) 8.918 3.281 ( 0.000 0.000 1.769) 1.769 3.511 ( 0.000 0.000 7.927) 7.927 3.742 ( 0.000 0.000 9.662) 9.662 4.142 ( 0.000 0.000 -0.769) 0.769 4.284 ( 0.000 0.000 -3.635) 3.635 4.378 ( 0.000 0.000 -4.611) 4.611 4.396 ( 0.000 0.000 -2.945) 2.945 4.694 ( 0.000 0.000 10.278) 10.278 4.797 ( 0.000 0.000 -7.298) 7.298 4.919 ( 0.000 0.000 -1.520) 1.520 5.337 ( 0.000 0.000 -0.347) 0.347 5.762 ( 0.000 0.000 -14.090) 14.090 5.770 ( 0.000 0.000 -8.557) 8.557 5.773 ( 0.000 0.000 22.346) 22.346 6.152 ( 0.000 0.000 -3.947) 3.947 6.382 ( 0.000 0.000 -19.399) 19.399 6.383 ( 0.000 0.000 -3.015) 3.015 6.973 ( 0.000 0.000 -7.610) 7.610 7.182 ( 0.000 0.000 -8.492) 8.492 7.331 ( 0.000 0.000 -9.447) 9.447 7.385 ( 0.000 0.000 6.428) 6.428 8.107 ( 0.000 0.000 -1.220) 1.220 8.971 ( 0.000 0.000 16.083) 16.083 9.310 ( 0.000 0.000 6.105) 6.105 9.413 ( 0.000 0.000 18.905) 18.905 9.554 ( 0.000 0.000 1.496) 1.496 10.181 ( 0.000 0.000 0.256) 0.256 10.387 ( 0.000 0.000 -12.318) 12.318 10.667 ( 0.000 0.000 -21.506) 21.506 11.032 ( 0.000 0.000 -14.774) 14.774 11.292 ( 0.000 0.000 -18.550) 18.550 11.335 ( 0.000 0.000 -11.942) 11.942 12.255 ( 0.000 0.000 8.587) 8.587 12.683 ( 0.000 0.000 -1.656) 1.656 13.361 ( 0.000 0.000 11.220) 11.220 13.506 ( 0.000 0.000 6.420) 6.420 13.724 ( 0.000 0.000 3.332) 3.332 13.868 ( 0.000 0.000 20.322) 20.322 14.078 ( 0.000 0.000 9.714) 9.714 14.139 ( 0.000 0.000 -0.994) 0.994 14.300 ( 0.000 0.000 7.879) 7.879 14.823 ( 0.000 0.000 8.659) 8.659 14.827 ( 0.000 0.000 -10.301) 10.301 15.041 ( 0.000 0.000 -5.050) 5.050 17.337 ( 0.000 0.000 12.869) 12.869 17.717 ( 0.000 0.000 3.676) 3.676 18.586 ( 0.000 0.000 -8.909) 8.909 18.715 ( 0.000 0.000 -7.061) 7.061 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 10.447 0.000 20.016) 22.578 1.270 ( 15.202 0.000 20.373) 25.419 2.082 ( -5.856 0.000 -12.096) 13.439 2.240 ( 9.333 0.000 27.000) 28.568 2.257 ( 5.585 0.000 -11.713) 12.976 2.350 ( -0.092 0.000 9.746) 9.747 2.555 ( 1.282 0.000 -5.447) 5.596 2.666 ( -2.862 0.000 -5.096) 5.844 2.797 ( 3.648 0.000 -9.347) 10.033 2.831 ( -2.309 0.000 1.023) 2.526 2.902 ( 1.318 0.000 3.207) 3.468 3.150 ( -4.815 0.000 -0.910) 4.900 3.194 ( -2.031 0.000 -4.244) 4.705 3.424 ( -1.062 0.000 -0.740) 1.295 3.879 ( 8.803 0.000 9.924) 13.265 3.942 ( -12.768 0.000 4.453) 13.522 4.081 ( -13.830 0.000 -1.336) 13.894 4.383 ( -0.375 0.000 -5.901) 5.912 4.587 ( 10.638 0.000 -5.314) 11.892 4.780 ( 4.098 0.000 5.981) 7.250 4.869 ( 5.793 0.000 -5.637) 8.083 4.886 ( -2.618 0.000 -2.899) 3.906 5.306 ( -3.068 0.000 1.205) 3.296 5.636 ( -3.984 0.000 3.463) 5.278 5.695 ( -4.604 0.000 -9.802) 10.829 6.014 ( 13.709 0.000 10.007) 16.973 6.075 ( -6.211 0.000 -3.994) 7.384 6.297 ( -8.090 0.000 -12.318) 14.737 6.345 ( -0.643 0.000 -3.330) 3.391 7.073 ( 8.010 0.000 -9.003) 12.051 7.252 ( -3.096 0.000 6.159) 6.893 7.317 ( -1.472 0.000 -7.880) 8.016 7.611 ( 25.023 0.000 -17.307) 30.425 8.137 ( 2.078 0.000 -2.995) 3.645 8.862 ( -9.923 0.000 14.339) 17.438 9.373 ( 4.786 0.000 6.180) 7.817 9.451 ( 4.769 0.000 16.839) 17.502 9.566 ( 0.031 0.000 1.671) 1.671 10.159 ( 0.011 0.000 -0.301) 0.301 10.328 ( -5.355 0.000 -11.652) 12.824 10.685 ( -1.796 0.000 -15.770) 15.872 10.930 ( -6.552 0.000 -13.661) 15.151 11.266 ( -6.385 0.000 -9.146) 11.154 11.321 ( 1.554 0.000 -15.839) 15.915 12.310 ( 4.918 0.000 6.310) 8.000 12.688 ( 0.487 0.000 -2.044) 2.101 13.233 ( -15.644 0.000 15.430) 21.973 13.338 ( -1.273 0.000 5.975) 6.109 13.807 ( 6.908 0.000 5.395) 8.765 13.897 ( 1.189 0.000 20.518) 20.552 14.120 ( 1.383 0.000 8.373) 8.486 14.128 ( -1.245 0.000 -2.088) 2.431 14.345 ( 2.835 0.000 1.240) 3.095 14.724 ( -5.780 0.000 5.298) 7.841 14.762 ( -5.922 0.000 -10.416) 11.981 15.014 ( -4.076 0.000 -4.477) 6.055 17.395 ( 5.598 0.000 12.854) 14.020 17.856 ( 9.873 0.000 0.879) 9.912 18.565 ( -2.045 0.000 -8.095) 8.349 18.683 ( -3.171 0.000 -6.234) 6.994 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 9.664 0.000 5.843) 11.293 1.584 ( 14.129 0.000 16.179) 21.480 1.883 ( -12.510 0.000 -14.772) 19.358 2.138 ( -7.684 0.000 -4.873) 9.099 2.266 ( -4.091 0.000 -9.043) 9.925 2.457 ( -3.883 0.000 3.254) 5.067 2.579 ( -2.486 0.000 -6.882) 7.317 2.771 ( 16.782 0.000 9.798) 19.433 2.790 ( -0.814 0.000 6.702) 6.751 2.954 ( 12.282 0.000 6.752) 14.016 2.965 ( 0.254 0.000 0.806) 0.845 3.127 ( 7.898 0.000 4.870) 9.279 3.299 ( 11.723 0.000 -6.908) 13.607 3.475 ( 3.999 0.000 -6.039) 7.243 3.723 ( -8.942 0.000 -0.394) 8.951 3.763 ( -13.971 0.000 1.508) 14.053 4.073 ( 9.565 0.000 9.039) 13.160 4.330 ( -4.659 0.000 -11.310) 12.232 4.694 ( -1.422 0.000 4.272) 4.502 4.823 ( -3.543 0.000 -4.551) 5.768 4.926 ( 10.576 0.000 0.181) 10.578 4.966 ( 3.307 0.000 -7.228) 7.948 5.240 ( -2.169 0.000 4.974) 5.426 5.562 ( -4.098 0.000 3.038) 5.101 5.626 ( -2.366 0.000 -5.981) 6.432 5.937 ( -6.473 0.000 -4.602) 7.942 6.086 ( -11.067 0.000 -5.052) 12.165 6.306 ( -4.737 0.000 -5.429) 7.205 6.328 ( 15.790 0.000 10.128) 18.759 7.095 ( -0.739 0.000 2.655) 2.756 7.260 ( -4.188 0.000 -4.021) 5.806 7.414 ( 15.063 0.000 -5.486) 16.031 7.993 ( 1.829 0.000 4.184) 4.567 8.277 ( 17.892 0.000 -22.110) 28.442 8.600 ( -13.653 0.000 7.498) 15.576 9.459 ( 4.141 0.000 8.693) 9.629 9.511 ( -5.508 0.000 1.663) 5.753 9.648 ( 12.599 0.000 9.746) 15.928 10.186 ( -7.361 0.000 -10.033) 12.444 10.201 ( 2.373 0.000 -1.793) 2.975 10.568 ( -6.483 0.000 1.285) 6.610 10.825 ( -3.516 0.000 -14.063) 14.496 11.076 ( -11.627 0.000 -3.950) 12.280 11.321 ( -2.196 0.000 -11.176) 11.389 12.438 ( 6.806 0.000 2.151) 7.138 12.700 ( 0.501 0.000 -2.711) 2.756 13.075 ( 0.992 0.000 9.161) 9.215 13.344 ( 2.366 0.000 -2.146) 3.194 13.877 ( -4.087 0.000 13.195) 13.814 13.975 ( 8.636 0.000 5.654) 10.322 14.069 ( -4.987 0.000 -6.052) 7.842 14.152 ( 2.822 0.000 6.755) 7.321 14.384 ( 1.464 0.000 0.529) 1.557 14.604 ( -8.417 0.000 -8.903) 12.252 14.630 ( -4.066 0.000 -0.449) 4.091 14.879 ( -7.834 0.000 -4.769) 9.172 17.567 ( 10.663 0.000 12.017) 16.066 18.036 ( 6.994 0.000 0.850) 7.046 18.500 ( -4.152 0.000 -5.993) 7.291 18.578 ( -7.033 0.000 -3.818) 8.003 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -3.323 0.000 -12.692) 13.120 1.614 ( -11.690 0.000 -15.789) 19.646 1.852 ( 11.275 0.000 10.249) 15.237 2.067 ( 1.148 0.000 -5.345) 5.467 2.275 ( 7.362 0.000 5.806) 9.376 2.333 ( -6.775 0.000 2.609) 7.260 2.460 ( -7.848 0.000 -5.784) 9.749 2.709 ( -7.838 0.000 4.136) 8.863 3.028 ( 7.019 0.000 3.465) 7.828 3.082 ( 13.485 0.000 -5.178) 14.444 3.154 ( 5.680 0.000 6.406) 8.561 3.278 ( 1.463 0.000 2.508) 2.904 3.449 ( -10.949 0.000 5.450) 12.230 3.597 ( -6.420 0.000 -7.639) 9.979 3.612 ( 10.618 0.000 -7.795) 13.172 3.765 ( 26.996 0.000 5.399) 27.530 4.109 ( -8.767 0.000 -6.808) 11.100 4.360 ( 10.036 0.000 -3.681) 10.690 4.621 ( -6.213 0.000 6.375) 8.902 4.727 ( -5.829 0.000 -3.758) 6.935 4.977 ( 0.339 0.000 -4.262) 4.275 5.124 ( 3.446 0.000 -6.868) 7.684 5.239 ( 2.083 0.000 7.399) 7.687 5.451 ( -6.338 0.000 5.075) 8.120 5.568 ( -1.327 0.000 0.458) 1.404 5.816 ( -6.817 0.000 -2.805) 7.371 5.910 ( -2.524 0.000 -4.267) 4.958 6.146 ( -9.354 0.000 -7.044) 11.710 6.652 ( 14.790 0.000 7.995) 16.813 7.136 ( -7.840 0.000 0.505) 7.856 7.193 ( 9.839 0.000 8.210) 12.814 7.687 ( 3.687 0.000 4.687) 5.964 7.880 ( -2.202 0.000 -0.951) 2.399 8.322 ( -11.821 0.000 -4.440) 12.627 8.715 ( 19.714 0.000 -14.234) 24.316 9.345 ( -10.260 0.000 -0.333) 10.266 9.566 ( 6.169 0.000 5.410) 8.205 9.838 ( -0.321 0.000 4.281) 4.293 10.137 ( 8.333 0.000 -3.876) 9.191 10.219 ( 0.655 0.000 -0.024) 0.655 10.433 ( -7.500 0.000 2.238) 7.827 10.790 ( -15.503 0.000 -0.133) 15.504 10.851 ( 6.614 0.000 -5.880) 8.850 11.220 ( -7.219 0.000 -6.995) 10.053 12.574 ( 5.754 0.000 -0.644) 5.790 12.701 ( -0.559 0.000 -2.612) 2.671 13.218 ( 10.946 0.000 -0.700) 10.968 13.448 ( 7.710 0.000 -9.350) 12.119 13.723 ( -10.134 0.000 2.929) 10.549 13.903 ( -10.671 0.000 -12.175) 16.190 14.152 ( 7.953 0.000 3.506) 8.692 14.243 ( 5.368 0.000 3.682) 6.510 14.430 ( 2.306 0.000 5.262) 5.745 14.441 ( -6.920 0.000 -3.985) 7.985 14.528 ( -4.568 0.000 -6.986) 8.347 14.720 ( -7.146 0.000 -3.639) 8.020 17.827 ( 13.821 0.000 9.220) 16.614 18.162 ( 5.538 0.000 0.823) 5.598 18.387 ( -11.114 0.000 0.009) 11.114 18.397 ( -5.492 0.000 -3.378) 6.448 ======================= Grid point 130 (45/100) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -2.046 0.000 -16.922) 17.046 1.459 ( 2.046 0.000 -16.922) 17.046 2.049 ( -6.871 0.000 1.910) 7.132 2.049 ( 6.871 0.000 1.910) 7.132 2.296 ( -5.920 0.000 -1.978) 6.241 2.296 ( 5.920 0.000 -1.977) 6.241 2.497 ( -11.638 0.000 6.472) 13.316 2.497 ( 11.638 0.000 6.472) 13.316 3.195 ( -7.484 0.000 3.173) 8.129 3.195 ( 7.484 0.000 3.173) 8.129 3.249 ( -5.263 0.000 2.813) 5.968 3.249 ( 5.263 0.000 2.813) 5.968 3.392 ( -11.479 0.000 -3.555) 12.017 3.392 ( 11.479 0.000 -3.555) 12.017 3.873 ( -12.750 0.000 -10.961) 16.814 3.873 ( 12.750 0.000 -10.961) 16.814 4.324 ( -22.704 0.000 4.784) 23.203 4.324 ( 22.704 0.000 4.784) 23.203 4.572 ( -9.092 0.000 -2.429) 9.411 4.572 ( 9.092 0.000 -2.429) 9.411 5.050 ( -6.431 0.000 -6.025) 8.812 5.050 ( 6.431 0.000 -6.025) 8.812 5.320 ( -5.516 0.000 7.173) 9.049 5.320 ( 5.516 0.000 7.173) 9.049 5.655 ( -7.553 0.000 3.617) 8.374 5.655 ( 7.553 0.000 3.617) 8.374 5.969 ( -6.579 0.000 -8.666) 10.881 5.969 ( 6.579 0.000 -8.666) 10.881 6.931 ( -11.707 0.000 4.652) 12.597 6.931 ( 11.707 0.000 4.652) 12.597 7.463 ( -14.830 0.000 13.294) 19.917 7.463 ( 14.830 0.000 13.294) 19.917 8.076 ( -12.164 0.000 -9.656) 15.530 8.076 ( 12.164 0.000 -9.656) 15.530 9.081 ( -15.111 0.000 -5.841) 16.200 9.081 ( 15.111 0.000 -5.841) 16.200 9.714 ( -7.723 0.000 1.899) 7.953 9.714 ( 7.723 0.000 1.899) 7.953 10.283 ( -5.690 0.000 1.461) 5.875 10.283 ( 5.690 0.000 1.461) 5.875 10.444 ( -17.041 0.000 1.104) 17.077 10.444 ( 17.041 0.000 1.104) 17.077 11.037 ( -9.722 0.000 -4.318) 10.638 11.037 ( 9.722 0.000 -4.318) 10.638 12.666 ( -2.984 0.000 -1.820) 3.495 12.666 ( 2.984 0.000 -1.820) 3.495 13.476 ( -12.859 0.000 -2.794) 13.159 13.476 ( 12.859 0.000 -2.794) 13.159 13.657 ( -11.759 0.000 -13.704) 18.058 13.657 ( 11.759 0.000 -13.704) 18.058 14.304 ( -6.654 0.000 0.369) 6.664 14.304 ( 6.654 0.000 0.369) 6.664 14.362 ( -5.932 0.000 2.287) 6.358 14.362 ( 5.932 0.000 2.287) 6.358 14.577 ( -6.374 0.000 -3.733) 7.387 14.577 ( 6.374 0.000 -3.733) 7.387 18.122 ( -13.880 0.000 4.747) 14.669 18.122 ( 13.880 0.000 4.747) 14.669 18.279 ( -5.682 0.000 -0.853) 5.746 18.279 ( 5.682 0.000 -0.853) 5.746 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.000 10.430 19.513) 22.126 1.239 ( 0.000 10.877 22.480) 24.973 1.986 ( 0.000 -12.444 -3.022) 12.805 2.032 ( 0.000 -3.058 -0.098) 3.060 2.296 ( 0.000 11.358 29.736) 31.831 2.372 ( 0.000 -6.718 -4.286) 7.968 2.509 ( 0.000 -4.228 -10.136) 10.982 2.708 ( 0.000 1.911 -3.526) 4.010 2.746 ( 0.000 2.831 -11.463) 11.807 2.953 ( 0.000 3.396 1.795) 3.841 2.976 ( 0.000 9.220 -6.503) 11.283 3.259 ( 0.000 5.875 -8.277) 10.150 3.302 ( 0.000 8.418 -1.604) 8.570 3.656 ( 0.000 10.606 7.638) 13.070 3.807 ( 0.000 4.798 10.083) 11.167 4.029 ( 0.000 -10.591 -1.822) 10.747 4.034 ( 0.000 -16.329 -2.433) 16.509 4.291 ( 0.000 -6.631 -2.043) 6.938 4.412 ( 0.000 2.188 -2.706) 3.480 4.647 ( 0.000 -3.662 8.803) 9.535 4.732 ( 0.000 -5.777 -6.113) 8.411 5.090 ( 0.000 5.174 -8.342) 9.816 5.493 ( 0.000 12.190 -1.428) 12.274 5.640 ( 0.000 0.138 -8.711) 8.712 5.747 ( 0.000 -1.134 18.584) 18.619 5.997 ( 0.000 10.960 -9.645) 14.600 6.150 ( 0.000 -0.240 -3.483) 3.491 6.339 ( 0.000 -3.678 -5.516) 6.630 6.420 ( 0.000 3.154 -18.486) 18.753 6.985 ( 0.000 1.375 -6.899) 7.035 6.998 ( 0.000 -16.007 -4.178) 16.543 7.313 ( 0.000 -2.288 -9.282) 9.560 7.424 ( 0.000 3.893 8.726) 9.555 8.030 ( 0.000 -6.255 7.247) 9.573 8.944 ( 0.000 -1.441 12.969) 13.049 9.377 ( 0.000 -4.191 7.281) 8.401 9.441 ( 0.000 10.555 -0.177) 10.557 9.617 ( 0.000 5.657 10.084) 11.563 10.153 ( 0.000 0.477 -2.599) 2.643 10.504 ( 0.000 8.476 -10.494) 13.489 10.581 ( 0.000 -7.541 -21.399) 22.689 11.046 ( 0.000 1.823 -12.434) 12.567 11.258 ( 0.000 -2.739 -16.445) 16.671 11.370 ( 0.000 1.382 -7.440) 7.567 12.383 ( 0.000 12.520 7.507) 14.599 12.841 ( 0.000 13.845 -1.304) 13.907 13.353 ( 0.000 -0.732 11.194) 11.218 13.485 ( 0.000 -1.961 6.455) 6.746 13.727 ( 0.000 -0.284 2.947) 2.961 13.839 ( 0.000 -9.819 3.942) 10.580 13.951 ( 0.000 2.391 19.171) 19.319 14.272 ( 0.000 -2.492 8.200) 8.570 14.276 ( 0.000 5.610 0.748) 5.660 14.723 ( 0.000 -6.388 1.309) 6.521 14.890 ( 0.000 2.841 -2.427) 3.736 15.038 ( 0.000 -0.355 -4.996) 5.009 17.277 ( 0.000 -5.602 12.542) 13.736 17.484 ( 0.000 -18.528 12.389) 22.288 18.576 ( 0.000 -0.856 -8.968) 9.009 18.686 ( 0.000 -2.753 -7.521) 8.009 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.12 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 11.276 9.333 18.148) 23.315 1.382 ( 13.447 10.340 17.532) 24.395 1.956 ( -2.648 -10.040 -4.825) 11.450 2.108 ( 4.383 -6.050 -6.349) 9.804 2.248 ( -4.430 -1.525 7.756) 9.061 2.414 ( 2.377 -3.151 3.375) 5.193 2.588 ( 6.888 4.740 -0.661) 8.388 2.674 ( -0.901 -0.470 -2.861) 3.036 2.783 ( -0.006 3.202 -10.390) 10.873 2.927 ( -0.325 1.145 6.621) 6.727 2.988 ( 1.592 10.014 -0.658) 10.161 3.190 ( -3.213 6.908 -4.246) 8.722 3.297 ( -1.262 11.886 -2.039) 12.126 3.507 ( -5.147 5.630 0.996) 7.693 3.864 ( -6.710 -6.890 1.151) 9.686 3.908 ( 0.416 -1.699 8.366) 8.547 3.966 ( -5.215 -5.618 -0.489) 7.681 4.382 ( -2.110 -0.673 -2.130) 3.073 4.497 ( 12.960 -4.419 -3.339) 14.094 4.704 ( 5.824 -2.758 5.270) 8.324 4.776 ( 2.471 -7.032 -7.155) 10.332 5.034 ( -4.448 2.579 -7.035) 8.714 5.413 ( -7.129 8.435 -1.410) 11.134 5.604 ( -0.539 1.234 0.291) 1.378 5.688 ( -5.431 -0.542 3.841) 6.673 6.055 ( -2.831 -0.706 3.168) 4.307 6.147 ( 5.079 7.568 -4.808) 10.305 6.321 ( -5.876 0.848 -13.121) 14.401 6.324 ( 0.364 0.069 -2.359) 2.388 7.086 ( 5.902 0.779 -7.854) 9.855 7.129 ( 5.424 -9.798 -4.066) 11.914 7.358 ( -1.499 2.900 3.784) 4.997 7.586 ( 22.726 -2.001 -14.775) 27.180 8.062 ( 2.120 -6.624 6.024) 9.201 8.848 ( -8.553 -0.150 10.806) 13.782 9.361 ( -0.221 -5.829 5.701) 8.156 9.474 ( 2.960 8.703 3.593) 9.870 9.710 ( 6.660 9.257 7.888) 13.867 10.116 ( -1.955 -0.490 -2.879) 3.514 10.441 ( -4.614 7.228 -11.656) 14.470 10.617 ( 0.705 -5.602 -14.230) 15.310 10.941 ( -8.056 1.905 -12.059) 14.627 11.266 ( -2.407 -1.351 -13.657) 13.933 11.315 ( -3.160 -1.003 -6.354) 7.166 12.431 ( 4.320 11.929 5.966) 14.020 12.846 ( 0.133 14.106 -2.613) 14.347 13.241 ( -11.628 0.942 11.630) 16.473 13.363 ( -2.121 2.173 6.322) 7.013 13.773 ( 5.416 -3.654 4.582) 7.980 13.943 ( 1.568 2.934 17.535) 17.848 13.965 ( 3.419 -8.725 1.742) 9.531 14.178 ( -3.690 0.622 7.856) 8.702 14.355 ( 2.341 0.485 -0.400) 2.424 14.654 ( -4.860 -5.460 1.146) 7.399 14.793 ( -7.296 1.862 -5.756) 9.477 15.000 ( -4.655 -1.362 -4.572) 6.665 17.341 ( 6.098 -4.988 12.678) 14.926 17.655 ( 12.625 -16.868 7.490) 22.361 18.553 ( -2.251 -1.065 -8.136) 8.509 18.652 ( -3.311 -2.865 -6.626) 7.942 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 6.594 9.535 9.726) 15.133 1.664 ( 13.083 6.168 14.009) 20.136 1.843 ( -8.159 -3.570 -6.821) 11.218 2.093 ( -3.490 -4.001 -3.606) 6.418 2.173 ( -1.965 -4.392 -6.891) 8.405 2.443 ( -0.660 -4.315 -3.554) 5.629 2.593 ( -2.403 0.569 -4.799) 5.397 2.707 ( -3.932 -2.951 0.470) 4.939 2.840 ( 7.726 3.720 2.688) 8.987 2.978 ( 3.713 5.704 12.290) 14.049 3.032 ( 2.390 -0.231 -3.151) 3.961 3.234 ( 6.336 7.690 2.819) 10.355 3.357 ( 11.490 6.075 -2.500) 13.236 3.523 ( 4.709 7.016 -2.488) 8.808 3.694 ( -10.911 -3.441 0.982) 11.482 3.726 ( -6.074 -1.879 -1.717) 6.586 4.081 ( 8.515 0.535 4.626) 9.705 4.332 ( -2.281 0.998 -6.492) 6.953 4.688 ( -0.121 -1.338 -1.191) 1.795 4.757 ( -0.053 -3.888 -3.053) 4.944 4.895 ( 10.524 -3.124 -2.412) 11.240 4.972 ( -0.435 -1.993 -5.495) 5.861 5.283 ( -4.286 4.708 1.522) 6.547 5.573 ( -3.020 1.904 2.382) 4.292 5.607 ( -1.482 -2.168 3.034) 4.013 5.939 ( -6.839 0.274 -3.746) 7.803 6.062 ( -10.314 -1.038 -2.096) 10.576 6.239 ( -5.470 -5.182 -7.058) 10.324 6.483 ( 12.982 10.820 5.882) 17.895 7.069 ( -0.556 -2.625 0.081) 2.684 7.277 ( -2.647 2.159 0.473) 3.449 7.432 ( 14.937 1.863 -3.460) 15.446 7.962 ( 0.950 -3.011 5.566) 6.399 8.204 ( 19.698 -6.966 -17.826) 27.464 8.627 ( -11.472 3.561 3.988) 12.657 9.356 ( -1.518 -8.646 4.015) 9.653 9.576 ( 6.519 8.751 3.105) 11.345 9.820 ( 3.916 11.733 8.863) 15.216 10.130 ( 3.203 -1.197 -5.242) 6.258 10.328 ( -5.835 7.324 -8.364) 12.555 10.585 ( -2.937 0.861 1.240) 3.302 10.772 ( -6.874 -2.872 -13.940) 15.806 11.103 ( -10.766 1.335 -3.770) 11.485 11.275 ( -3.139 -5.056 -9.176) 10.937 12.545 ( 6.171 10.662 2.935) 12.664 12.826 ( -1.804 12.094 -2.698) 12.522 13.129 ( 2.037 5.112 6.278) 8.348 13.366 ( 2.301 2.025 -1.820) 3.565 13.901 ( -3.147 0.354 10.865) 11.317 13.916 ( 5.541 -4.195 6.103) 9.249 13.993 ( -2.072 -6.922 -3.853) 8.188 14.157 ( 2.032 0.086 6.619) 6.924 14.378 ( 0.724 -0.823 0.062) 1.097 14.553 ( -5.918 -4.485 -6.642) 9.962 14.629 ( -7.175 -0.091 -3.157) 7.839 14.857 ( -8.072 -2.116 -5.062) 9.760 17.524 ( 11.182 -3.800 11.974) 16.819 17.898 ( 9.930 -12.288 4.139) 16.332 18.482 ( -4.515 -1.601 -5.962) 7.649 18.545 ( -7.015 -2.928 -4.131) 8.652 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.38 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -4.638 5.069 -3.314) 7.628 1.632 ( -9.002 1.710 -7.989) 12.156 1.947 ( 11.179 6.036 7.145) 14.576 2.054 ( -0.218 -0.054 -3.555) 3.562 2.249 ( 9.050 -1.650 4.151) 10.092 2.367 ( -4.594 2.136 -4.100) 6.517 2.481 ( -7.678 2.302 -3.318) 8.675 2.684 ( -3.592 -5.711 6.360) 9.272 2.861 ( 3.084 -5.711 1.500) 6.662 3.085 ( 2.707 -8.388 3.736) 9.573 3.106 ( 3.374 -2.055 0.682) 4.009 3.342 ( -2.047 3.671 -0.395) 4.222 3.409 ( -2.574 -1.220 3.088) 4.201 3.626 ( -2.693 3.266 -7.615) 8.713 3.663 ( 9.958 4.793 -6.551) 12.847 3.869 ( 22.071 9.812 1.269) 24.187 4.203 ( -1.317 8.819 -4.115) 9.821 4.328 ( 5.199 -2.402 -7.683) 9.583 4.563 ( -5.469 -9.755 -4.971) 12.239 4.754 ( -5.215 7.814 2.702) 9.775 4.985 ( 1.229 -1.878 -1.369) 2.629 5.061 ( 2.329 -4.965 -2.438) 6.001 5.257 ( 2.779 3.512 2.526) 5.142 5.499 ( -2.999 4.115 3.835) 6.375 5.607 ( 0.516 0.536 5.082) 5.136 5.799 ( -5.698 -1.660 -4.692) 7.565 5.860 ( -6.652 -2.772 0.668) 7.237 6.074 ( -9.476 -6.503 -6.302) 13.107 6.755 ( 12.200 8.534 7.190) 16.533 7.107 ( -0.076 -2.097 3.213) 3.838 7.219 ( 1.978 1.962 6.386) 6.967 7.651 ( -2.519 -4.167 11.346) 12.346 7.914 ( 5.421 4.300 -6.573) 9.544 8.391 ( -10.997 6.722 -4.884) 13.783 8.651 ( 19.826 -6.064 -13.190) 24.572 9.256 ( -8.344 -7.621 -0.125) 11.301 9.718 ( 6.760 13.127 2.896) 15.047 9.898 ( 2.021 5.685 3.906) 7.187 10.201 ( 0.561 6.361 -3.738) 7.399 10.262 ( 5.148 2.810 -0.980) 5.947 10.457 ( -9.410 3.260 0.017) 9.959 10.728 ( -1.640 -5.618 -2.586) 6.399 10.877 ( -6.019 1.330 -2.882) 6.805 11.164 ( -7.303 -5.686 -6.210) 11.146 12.670 ( 5.332 9.577 0.528) 10.974 12.796 ( -1.264 9.481 -1.953) 9.762 13.269 ( 10.017 4.838 -1.956) 11.295 13.465 ( 7.236 1.418 -8.635) 11.355 13.746 ( -9.884 2.172 2.519) 10.429 13.874 ( -8.567 -3.338 -9.849) 13.474 14.068 ( 6.775 -7.545 2.291) 10.396 14.225 ( 3.254 -3.180 3.721) 5.878 14.383 ( -4.074 -3.038 -1.850) 5.408 14.439 ( 0.572 -0.633 -1.560) 1.778 14.508 ( -4.775 -1.926 -4.292) 6.703 14.696 ( -7.156 -2.400 -4.003) 8.543 17.793 ( 14.084 -2.987 9.163) 17.066 18.077 ( 7.582 -7.851 2.394) 11.174 18.355 ( -10.622 -2.865 -0.390) 11.009 18.370 ( -6.595 -2.547 -2.925) 7.651 ======================= Grid point 139 (50/100) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -1.634 4.791 -8.408) 9.814 1.510 ( 1.634 4.791 -8.408) 9.814 2.078 ( -0.990 1.985 -0.208) 2.228 2.078 ( 0.990 1.985 -0.208) 2.228 2.321 ( -4.116 2.582 -1.983) 5.247 2.321 ( 4.116 2.582 -1.983) 5.247 2.505 ( -10.898 0.143 7.413) 13.181 2.505 ( 10.898 0.143 7.413) 13.181 3.017 ( -8.359 -12.524 2.732) 15.303 3.017 ( 8.359 -12.524 2.732) 15.303 3.191 ( -6.702 -5.464 3.788) 9.440 3.191 ( 6.702 -5.464 3.788) 9.440 3.515 ( -7.118 8.695 -5.707) 12.603 3.515 ( 7.118 8.695 -5.707) 12.603 3.929 ( -11.942 5.825 -11.174) 17.361 3.929 ( 11.942 5.825 -11.174) 17.361 4.401 ( -8.625 -1.103 -6.049) 10.592 4.401 ( 8.625 -1.103 -6.049) 10.592 4.520 ( -7.763 3.231 1.841) 8.608 4.520 ( 7.763 3.231 1.841) 8.608 5.025 ( -2.681 -2.486 1.077) 3.811 5.025 ( 2.681 -2.486 1.077) 3.811 5.388 ( -7.802 5.869 2.528) 10.085 5.388 ( 7.802 5.869 2.528) 10.085 5.670 ( -5.852 0.795 5.961) 8.391 5.670 ( 5.852 0.795 5.961) 8.391 5.887 ( -7.158 -7.424 -7.007) 12.468 5.887 ( 7.158 -7.424 -7.007) 12.468 6.979 ( -9.124 4.299 5.141) 11.321 6.979 ( 9.124 4.299 5.141) 11.321 7.423 ( -13.286 -3.857 13.003) 18.986 7.423 ( 13.286 -3.857 13.003) 18.986 8.149 ( -12.326 7.159 -9.413) 17.082 8.149 ( 12.326 7.159 -9.413) 17.082 9.013 ( -14.660 -6.399 -5.581) 16.941 9.013 ( 14.660 -6.399 -5.581) 16.941 9.851 ( -5.447 12.481 0.988) 13.653 9.851 ( 5.447 12.481 0.988) 13.653 10.267 ( -7.176 -0.022 -0.319) 7.183 10.267 ( 7.176 -0.022 -0.319) 7.183 10.497 ( -13.995 3.317 1.286) 14.440 10.497 ( 13.995 3.317 1.286) 14.440 10.985 ( -9.141 -5.115 -3.996) 11.211 10.985 ( 9.141 -5.115 -3.996) 11.211 12.756 ( -2.849 9.029 -0.863) 9.507 12.756 ( 2.849 9.029 -0.863) 9.507 13.507 ( -11.940 2.915 -3.193) 12.699 13.507 ( 11.940 2.915 -3.193) 12.699 13.661 ( -10.542 0.125 -12.576) 16.411 13.661 ( 10.542 0.125 -12.576) 16.411 14.199 ( -5.459 -8.844 0.240) 10.396 14.199 ( 5.459 -8.844 0.240) 10.396 14.378 ( -4.432 0.301 0.672) 4.493 14.378 ( 4.432 0.301 0.672) 4.493 14.556 ( -6.151 -2.122 -3.546) 7.411 14.556 ( 6.151 -2.122 -3.546) 7.411 18.091 ( -13.760 -2.794 4.563) 14.764 18.091 ( 13.760 -2.794 4.563) 14.764 18.230 ( -6.868 -4.538 -0.062) 8.232 18.230 ( 6.868 -4.538 -0.062) 8.232 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 9.649 13.346) 16.469 1.441 ( 0.000 14.047 9.107) 16.741 1.784 ( 0.000 -5.883 2.948) 6.581 1.913 ( 0.000 -7.814 -6.561) 10.203 2.152 ( 0.000 -12.580 -4.622) 13.402 2.297 ( 0.000 -15.145 2.148) 15.296 2.550 ( 0.000 10.877 8.652) 13.899 2.811 ( 0.000 0.645 -5.756) 5.793 2.869 ( 0.000 14.507 -0.108) 14.507 3.104 ( 0.000 12.275 9.526) 15.538 3.143 ( 0.000 6.932 -14.603) 16.165 3.373 ( 0.000 3.690 -3.446) 5.049 3.570 ( 0.000 10.431 -18.465) 21.207 3.678 ( 0.000 -15.120 4.906) 15.896 3.719 ( 0.000 -5.425 3.783) 6.614 3.923 ( 0.000 10.037 8.506) 13.156 3.963 ( 0.000 2.036 3.577) 4.115 4.211 ( 0.000 -1.083 -2.632) 2.846 4.388 ( 0.000 -6.307 7.966) 10.161 4.568 ( 0.000 -10.407 -3.801) 11.079 4.636 ( 0.000 5.035 -0.456) 5.056 5.018 ( 0.000 -9.130 -7.635) 11.902 5.650 ( 0.000 3.002 -0.923) 3.141 5.725 ( 0.000 4.270 -11.594) 12.355 5.858 ( 0.000 12.128 8.940) 15.067 6.092 ( 0.000 -2.892 6.023) 6.681 6.150 ( 0.000 1.055 -2.388) 2.611 6.335 ( 0.000 5.127 -17.794) 18.518 6.471 ( 0.000 1.019 -17.926) 17.955 6.635 ( 0.000 -18.688 0.797) 18.705 7.036 ( 0.000 3.917 -5.838) 7.031 7.241 ( 0.000 -4.711 -7.728) 9.051 7.539 ( 0.000 7.465 13.426) 15.362 7.887 ( 0.000 -8.115 15.280) 17.301 8.954 ( 0.000 3.089 6.338) 7.051 9.245 ( 0.000 -8.492 2.015) 8.728 9.651 ( 0.000 9.109 -3.667) 9.819 9.725 ( 0.000 4.217 5.715) 7.102 10.230 ( 0.000 5.331 -4.743) 7.136 10.418 ( 0.000 -7.619 -19.284) 20.735 10.682 ( 0.000 10.379 -9.489) 14.063 11.118 ( 0.000 5.232 -6.771) 8.557 11.167 ( 0.000 -7.458 -9.817) 12.329 11.339 ( 0.000 -4.274 -3.215) 5.349 12.727 ( 0.000 20.681 4.973) 21.270 13.149 ( 0.000 15.393 1.682) 15.485 13.331 ( 0.000 -2.144 9.602) 9.838 13.436 ( 0.000 -2.689 6.725) 7.243 13.599 ( 0.000 -12.162 -0.859) 12.192 13.679 ( 0.000 -5.353 2.192) 5.785 14.068 ( 0.000 7.051 19.202) 20.455 14.221 ( 0.000 -2.081 9.465) 9.691 14.349 ( 0.000 2.501 -1.596) 2.967 14.574 ( 0.000 -8.133 2.626) 8.547 14.944 ( 0.000 2.558 -3.090) 4.011 15.024 ( 0.000 -1.161 -4.591) 4.736 17.142 ( 0.000 -6.834 12.333) 14.100 17.159 ( 0.000 -11.512 16.714) 20.295 18.560 ( 0.000 -0.430 -9.026) 9.036 18.620 ( 0.000 -3.358 -8.237) 8.895 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.12 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 7.629 6.686 12.608) 16.183 1.608 ( 9.972 9.122 7.602) 15.506 1.801 ( 2.316 -1.275 4.359) 5.098 1.968 ( 3.689 -7.408 -5.587) 9.985 2.124 ( -0.890 -10.681 -2.655) 11.042 2.432 ( 2.473 -2.644 -7.645) 8.459 2.443 ( -1.240 -6.311 13.047) 14.546 2.719 ( -5.925 0.518 -5.980) 8.434 2.913 ( 0.405 10.367 -6.590) 12.291 3.097 ( 1.152 13.375 7.909) 15.581 3.159 ( 1.034 7.063 -3.279) 7.855 3.377 ( -4.500 4.614 -8.256) 10.474 3.541 ( -1.529 8.537 -6.486) 10.830 3.567 ( -3.296 0.113 6.249) 7.066 3.704 ( -0.884 -5.952 -2.222) 6.414 3.777 ( -6.156 -2.581 2.778) 7.230 4.023 ( 2.405 6.596 3.231) 7.729 4.358 ( 0.107 -2.701 6.742) 7.264 4.449 ( 14.013 -1.521 -1.454) 14.170 4.595 ( 1.868 -10.200 -3.733) 11.021 4.691 ( 5.266 2.052 -0.466) 5.670 4.955 ( -4.917 -7.578 -8.111) 12.141 5.559 ( -9.881 4.326 -1.771) 10.931 5.602 ( -4.685 -0.512 -1.754) 5.029 5.819 ( -4.935 11.629 1.534) 12.725 6.035 ( -2.570 -0.376 4.837) 5.490 6.175 ( -1.435 -3.472 -1.879) 4.201 6.267 ( -10.043 -5.079 -9.387) 14.655 6.458 ( 9.711 9.631 -8.238) 15.966 6.878 ( 9.370 -12.413 -6.630) 16.907 7.160 ( 11.239 5.124 -6.012) 13.737 7.380 ( 8.199 -2.412 0.434) 8.557 7.588 ( 10.014 3.972 -0.596) 10.789 7.904 ( 1.119 -8.721 13.862) 16.416 8.893 ( -5.388 4.933 4.745) 8.711 9.219 ( -2.022 -8.546 2.459) 9.120 9.669 ( 2.752 9.549 -1.066) 9.995 9.836 ( 8.711 2.653 1.873) 9.296 10.193 ( -2.995 6.562 -3.195) 7.889 10.434 ( 1.100 -6.787 -14.898) 16.408 10.643 ( -3.478 9.219 -9.389) 13.610 11.026 ( -7.544 6.135 -7.377) 12.205 11.167 ( -1.159 -9.326 -7.347) 11.929 11.265 ( -6.610 -3.782 -3.440) 8.357 12.764 ( 3.292 20.224 4.585) 20.997 13.164 ( 0.954 15.765 -0.837) 15.816 13.266 ( -4.776 0.942 6.295) 7.958 13.409 ( -1.215 2.285 6.136) 6.660 13.621 ( 3.094 -12.236 0.749) 12.643 13.755 ( 4.327 -10.030 1.574) 11.037 14.052 ( -1.894 5.732 17.270) 18.294 14.176 ( -2.903 -0.543 9.447) 9.898 14.359 ( 0.235 0.438 -1.750) 1.820 14.526 ( -3.763 -6.892 1.044) 7.922 14.836 ( -8.374 2.617 -4.949) 10.073 14.960 ( -6.158 -2.681 -4.672) 8.181 17.228 ( 7.885 -5.247 12.645) 15.799 17.331 ( 13.721 -12.963 13.272) 23.075 18.532 ( -2.686 -0.679 -8.182) 8.638 18.585 ( -3.338 -3.307 -7.356) 8.728 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -0.382 -0.979 4.560) 4.679 1.715 ( 11.192 0.770 9.091) 14.440 1.871 ( -0.651 10.643 14.346) 17.875 2.005 ( 1.906 -3.788 -0.032) 4.240 2.157 ( 3.564 -3.752 -9.552) 10.864 2.314 ( -1.042 -1.409 -0.483) 1.818 2.528 ( -3.360 -9.906 4.028) 11.209 2.637 ( -0.688 -6.174 -5.721) 8.446 2.875 ( -3.103 5.474 -5.908) 8.631 3.082 ( -4.086 6.836 -2.428) 8.326 3.155 ( -5.171 5.137 -1.007) 7.358 3.314 ( 0.556 -3.880 2.049) 4.423 3.466 ( 5.713 11.683 5.668) 14.187 3.610 ( -5.265 -2.838 -4.320) 7.378 3.705 ( 1.129 0.310 -7.000) 7.097 3.793 ( 12.980 12.084 2.981) 17.983 4.101 ( 6.182 2.423 -3.222) 7.381 4.373 ( 0.970 1.186 -0.512) 1.615 4.571 ( -5.629 -5.856 -8.213) 11.552 4.741 ( 12.399 -2.688 2.734) 12.979 4.841 ( 8.160 -1.608 0.176) 8.319 4.884 ( -0.238 -3.915 -6.799) 7.849 5.396 ( -5.061 5.045 -1.323) 7.268 5.504 ( -3.440 -4.187 1.465) 5.614 5.700 ( -6.029 7.567 5.362) 11.061 5.949 ( -6.575 1.290 -2.054) 7.008 6.037 ( -10.101 -3.244 3.466) 11.161 6.103 ( -6.764 -7.099 -6.749) 11.904 6.685 ( 11.517 8.814 1.754) 14.609 6.982 ( 3.020 -6.039 -2.605) 7.237 7.362 ( -1.711 6.058 8.418) 10.511 7.482 ( 11.288 2.395 3.664) 12.107 7.890 ( 2.687 -3.243 3.101) 5.230 8.035 ( 21.853 -8.851 -14.611) 27.737 8.753 ( -7.582 8.721 0.605) 11.572 9.170 ( -2.980 -10.129 2.091) 10.764 9.779 ( 7.795 10.447 -1.867) 13.167 10.021 ( 6.453 4.323 4.086) 8.776 10.151 ( 1.531 5.225 -4.130) 6.834 10.444 ( -0.732 0.490 -5.356) 5.428 10.560 ( -3.276 2.248 -8.061) 8.987 10.830 ( -10.823 7.871 -6.658) 14.947 11.067 ( -9.454 -8.291 0.651) 12.591 11.128 ( -4.964 -6.642 -8.525) 11.893 12.850 ( 4.717 19.014 3.638) 19.925 13.121 ( -3.803 14.517 -1.174) 15.053 13.264 ( 4.150 8.146 0.095) 9.142 13.412 ( 1.696 2.451 0.018) 2.980 13.700 ( 3.715 -14.627 0.179) 15.093 13.814 ( 1.090 -10.425 2.296) 10.730 13.982 ( -4.588 4.385 9.495) 11.421 14.139 ( -0.873 -2.151 6.411) 6.818 14.353 ( -0.346 -1.106 -1.286) 1.732 14.445 ( -3.921 -5.594 -4.633) 8.254 14.646 ( -8.959 2.163 -5.185) 10.575 14.797 ( -8.531 -3.853 -5.440) 10.827 17.448 ( 12.686 -2.744 11.890) 17.602 17.631 ( 13.796 -12.413 9.095) 20.667 18.448 ( -5.405 -1.410 -5.826) 8.071 18.480 ( -6.816 -3.079 -4.834) 8.905 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -1.666 4.915 2.437) 5.733 1.749 ( -6.806 10.927 9.103) 15.767 1.946 ( 9.170 -3.902 5.761) 11.511 2.088 ( 4.062 -0.604 4.493) 6.087 2.231 ( 3.037 -1.139 -5.633) 6.500 2.369 ( 4.672 -3.553 1.015) 5.957 2.461 ( -1.920 -7.900 3.097) 8.700 2.551 ( -6.769 -0.472 -1.871) 7.038 2.842 ( -0.160 -1.876 3.441) 3.922 2.948 ( -7.691 2.419 1.635) 8.226 3.029 ( -3.381 -5.476 -1.863) 6.700 3.250 ( -8.817 -7.188 1.841) 11.524 3.565 ( 7.295 9.764 -3.034) 12.560 3.679 ( 4.719 2.081 -11.038) 12.184 3.826 ( 9.976 10.454 -8.299) 16.664 4.076 ( 11.699 8.968 -5.677) 15.796 4.266 ( 5.271 -6.220 -7.730) 11.235 4.344 ( -4.574 -6.646 -7.024) 10.697 4.428 ( -0.795 11.160 -5.764) 12.586 4.863 ( -2.459 -7.837 -7.404) 11.058 4.966 ( 5.585 2.541 7.477) 9.672 4.982 ( 4.424 5.288 3.155) 7.582 5.364 ( 2.681 5.263 -3.335) 6.783 5.499 ( 3.402 -7.144 4.103) 8.913 5.595 ( -2.965 3.050 7.907) 8.979 5.766 ( -8.963 -3.242 -2.790) 9.931 5.836 ( -9.495 -0.317 6.894) 11.738 5.933 ( -9.205 -5.585 -2.933) 11.159 6.920 ( 10.214 6.794 6.346) 13.812 7.063 ( 5.131 -2.249 3.820) 6.780 7.275 ( -4.391 4.015 8.789) 10.613 7.530 ( -7.237 -7.222 15.924) 18.924 8.056 ( 13.688 9.444 -10.900) 19.884 8.487 ( 19.528 -9.956 -12.355) 25.162 8.576 ( -9.549 11.257 -4.079) 15.315 9.065 ( -7.716 -11.238 -0.868) 13.659 9.983 ( 10.988 10.407 -2.633) 15.361 10.079 ( 2.702 12.588 3.243) 13.277 10.282 ( 6.028 -0.737 -3.141) 6.837 10.371 ( -3.561 10.346 -2.003) 11.123 10.572 ( -3.980 -3.574 -9.414) 10.828 10.597 ( -3.938 4.087 2.452) 6.183 10.852 ( -9.487 -5.122 0.606) 10.798 11.002 ( -7.284 -9.648 -5.200) 13.160 12.948 ( 4.271 17.585 2.375) 18.251 13.063 ( -1.960 16.002 -0.510) 16.129 13.390 ( 7.770 6.347 -4.776) 11.111 13.483 ( 5.016 -0.289 -4.836) 6.974 13.731 ( -2.051 -10.990 -2.148) 11.384 13.791 ( -5.004 -1.291 -0.058) 5.168 13.900 ( -0.057 -5.581 -2.098) 5.963 14.098 ( -4.218 -8.184 -0.720) 9.236 14.346 ( -0.614 -0.780 -2.295) 2.500 14.404 ( 2.173 -2.998 -5.174) 6.363 14.489 ( -6.093 1.174 -1.510) 6.387 14.630 ( -7.200 -4.007 -4.476) 9.377 17.738 ( 14.573 -1.664 8.878) 17.145 17.895 ( 11.579 -9.062 5.515) 15.703 18.295 ( -10.406 -2.530 -0.921) 10.749 18.310 ( -8.201 -2.915 -2.322) 9.008 ======================= Grid point 148 (55/100) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -1.911 10.165 4.451) 11.260 1.655 ( 1.911 10.165 4.451) 11.260 2.085 ( -4.359 -2.788 1.781) 5.472 2.085 ( 4.359 -2.788 1.781) 5.472 2.342 ( -7.661 -1.318 -1.056) 7.845 2.342 ( 7.661 -1.318 -1.056) 7.845 2.471 ( -3.461 -4.955 5.706) 8.312 2.471 ( 3.461 -4.955 5.706) 8.312 2.838 ( -1.737 -1.349 2.373) 3.236 2.838 ( 1.737 -1.349 2.373) 3.236 3.071 ( -6.765 -6.462 2.710) 9.740 3.071 ( 6.765 -6.462 2.710) 9.740 3.697 ( -3.530 9.536 -10.565) 14.664 3.697 ( 3.530 9.536 -10.565) 14.664 4.050 ( -11.240 0.346 -15.255) 18.951 4.050 ( 11.240 0.346 -15.255) 18.951 4.290 ( -5.866 1.038 -6.541) 8.847 4.290 ( 5.866 1.038 -6.541) 8.847 4.662 ( -15.112 0.313 -4.681) 15.824 4.662 ( 15.112 0.313 -4.681) 15.824 5.021 ( -0.590 6.899 8.296) 10.806 5.021 ( 0.590 6.899 8.296) 10.806 5.499 ( -8.042 1.311 -3.854) 9.013 5.499 ( 8.042 1.311 -3.854) 9.013 5.624 ( -7.604 -4.673 10.746) 13.969 5.624 ( 7.604 -4.673 10.746) 13.969 5.751 ( -6.249 -3.826 -0.632) 7.354 5.751 ( 6.249 -3.826 -0.632) 7.354 7.083 ( -5.228 5.781 7.030) 10.496 7.083 ( 5.228 5.781 7.030) 10.496 7.323 ( -9.905 -5.753 11.887) 16.508 7.323 ( 9.905 -5.753 11.887) 16.508 8.344 ( -12.724 11.770 -8.543) 19.324 8.344 ( 12.724 11.770 -8.543) 19.324 8.838 ( -13.932 -10.856 -5.829) 18.599 8.838 ( 13.932 -10.856 -5.829) 18.599 10.143 ( -2.703 14.588 -1.127) 14.879 10.143 ( 2.703 14.588 -1.127) 14.879 10.312 ( -8.405 4.395 -3.485) 10.105 10.312 ( 8.405 4.395 -3.485) 10.105 10.530 ( -8.946 0.285 1.522) 9.079 10.530 ( 8.946 0.285 1.522) 9.079 10.838 ( -7.353 -9.549 -2.448) 12.298 10.838 ( 7.353 -9.549 -2.448) 12.298 13.020 ( -2.576 16.689 0.995) 16.916 13.020 ( 2.576 16.689 0.995) 16.916 13.556 ( -4.457 -1.213 -2.701) 5.351 13.556 ( 4.457 -1.213 -2.701) 5.351 13.661 ( -2.139 1.636 -9.485) 9.860 13.661 ( 2.139 1.636 -9.485) 9.860 13.979 ( -5.816 -12.142 -3.726) 13.969 13.979 ( 5.816 -12.142 -3.726) 13.969 14.383 ( -3.912 0.802 -1.041) 4.126 14.383 ( 3.912 0.802 -1.041) 4.126 14.496 ( -5.678 -3.686 -3.320) 7.540 14.496 ( 5.678 -3.686 -3.320) 7.540 18.037 ( -13.294 -1.855 4.066) 14.025 18.037 ( 13.294 -1.855 4.066) 14.025 18.122 ( -9.558 -5.502 1.626) 11.148 18.122 ( 9.558 -5.502 1.626) 11.148 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 0.000 -2.157 2.329) 3.175 1.590 ( 0.000 2.157 2.329) 3.175 1.795 ( 0.000 -3.854 -0.846) 3.946 1.795 ( 0.000 3.854 -0.846) 3.946 2.026 ( 0.000 -6.263 6.418) 8.968 2.026 ( 0.000 6.263 6.418) 8.968 2.732 ( 0.000 -7.524 -3.811) 8.434 2.732 ( 0.000 7.524 -3.811) 8.434 3.159 ( 0.000 -10.588 -3.539) 11.164 3.159 ( 0.000 10.588 -3.539) 11.164 3.356 ( 0.000 -7.103 -2.470) 7.520 3.356 ( 0.000 7.103 -2.470) 7.520 3.474 ( 0.000 -1.699 -1.532) 2.287 3.474 ( 0.000 1.699 -1.532) 2.287 3.897 ( 0.000 -9.419 -1.841) 9.597 3.897 ( 0.000 9.419 -1.841) 9.597 4.143 ( 0.000 -10.170 10.200) 14.404 4.143 ( 0.000 10.170 10.200) 14.404 4.355 ( 0.000 -8.561 -0.858) 8.604 4.355 ( 0.000 8.561 -0.858) 8.604 4.810 ( 0.000 -10.679 -4.256) 11.496 4.810 ( 0.000 10.679 -4.256) 11.496 5.723 ( 0.000 -3.821 -8.294) 9.132 5.723 ( 0.000 3.821 -8.294) 9.132 6.023 ( 0.000 -3.173 6.676) 7.392 6.023 ( 0.000 3.173 6.676) 7.392 6.291 ( 0.000 -14.178 1.182) 14.227 6.291 ( 0.000 14.178 1.182) 14.227 6.443 ( 0.000 -3.714 -17.926) 18.306 6.443 ( 0.000 3.714 -17.926) 18.306 7.135 ( 0.000 -5.569 -6.254) 8.375 7.135 ( 0.000 5.569 -6.254) 8.375 7.710 ( 0.000 -9.215 16.638) 19.019 7.710 ( 0.000 9.215 16.638) 19.019 9.070 ( 0.000 -8.098 2.372) 8.439 9.070 ( 0.000 8.098 2.372) 8.439 9.761 ( 0.000 -1.400 -0.836) 1.631 9.761 ( 0.000 1.400 -0.836) 1.631 10.309 ( 0.000 -3.462 -14.116) 14.534 10.309 ( 0.000 3.462 -14.116) 14.534 10.941 ( 0.000 -14.120 -4.896) 14.944 10.941 ( 0.000 14.120 -4.896) 14.944 11.234 ( 0.000 -5.831 -3.827) 6.975 11.234 ( 0.000 5.831 -3.827) 6.975 13.139 ( 0.000 -18.259 3.221) 18.541 13.139 ( 0.000 18.259 3.221) 18.541 13.374 ( 0.000 -4.894 5.931) 7.689 13.374 ( 0.000 4.894 5.931) 7.689 13.524 ( 0.000 -7.343 2.436) 7.736 13.524 ( 0.000 7.343 2.436) 7.736 14.179 ( 0.000 -3.234 13.793) 14.167 14.179 ( 0.000 3.234 13.793) 14.167 14.424 ( 0.000 -5.964 0.635) 5.997 14.424 ( 0.000 5.964 0.635) 5.997 14.991 ( 0.000 -2.072 -3.800) 4.328 14.991 ( 0.000 2.072 -3.800) 4.328 17.055 ( 0.000 -0.602 13.996) 14.009 17.055 ( 0.000 0.602 13.996) 14.009 18.569 ( 0.000 -1.507 -8.817) 8.945 18.569 ( 0.000 1.507 -8.817) 8.945 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 2.863 -4.061 5.057) 7.089 1.621 ( 2.863 4.061 5.057) 7.089 1.882 ( 6.300 -2.689 -3.733) 7.801 1.882 ( 6.300 2.689 -3.733) 7.801 2.099 ( 5.914 -14.365 9.801) 18.368 2.099 ( 5.914 14.365 9.801) 18.368 2.619 ( -8.326 -8.816 -4.905) 13.080 2.619 ( -8.326 8.816 -4.905) 13.080 3.142 ( -2.509 -9.609 -7.860) 12.665 3.142 ( -2.509 9.609 -7.860) 12.665 3.320 ( -2.699 -5.475 1.464) 6.277 3.320 ( -2.699 5.475 1.464) 6.277 3.574 ( 8.827 -3.326 -2.339) 9.718 3.574 ( 8.827 3.326 -2.339) 9.718 3.736 ( -10.247 -3.766 1.235) 10.987 3.736 ( -10.247 3.766 1.235) 10.987 4.227 ( 3.125 -10.944 3.936) 12.043 4.227 ( 3.125 10.944 3.936) 12.043 4.439 ( 8.182 -2.557 1.199) 8.656 4.439 ( 8.182 2.557 1.199) 8.656 4.798 ( -0.384 -7.511 -5.015) 9.040 4.798 ( -0.384 7.511 -5.015) 9.040 5.597 ( -8.447 -1.320 -3.278) 9.156 5.597 ( -8.447 1.320 -3.278) 9.156 6.028 ( -2.017 -5.281 2.015) 6.001 6.028 ( -2.017 5.281 2.015) 6.001 6.132 ( -8.168 -4.194 -2.792) 9.597 6.132 ( -8.168 4.194 -2.792) 9.597 6.655 ( 11.073 -10.137 -8.631) 17.316 6.655 ( 11.073 10.137 -8.631) 17.316 7.280 ( 12.765 -6.306 -4.671) 14.984 7.280 ( 12.765 6.306 -4.671) 14.984 7.727 ( 2.057 -8.661 11.699) 14.701 7.727 ( 2.057 8.661 11.699) 14.701 9.037 ( -2.964 -8.912 2.178) 9.642 9.037 ( -2.964 8.912 2.178) 9.642 9.817 ( 5.164 -4.564 -1.797) 7.122 9.817 ( 5.164 4.564 -1.797) 7.122 10.309 ( -0.020 -5.462 -10.948) 12.235 10.309 ( -0.020 5.462 -10.948) 12.235 10.901 ( -3.709 -14.953 -4.323) 16.002 10.901 ( -3.709 14.953 -4.323) 16.002 11.164 ( -6.119 -6.205 -4.229) 9.686 11.164 ( -6.119 6.205 -4.229) 9.686 13.161 ( 1.973 -15.926 3.028) 16.331 13.161 ( 1.973 15.926 3.028) 16.331 13.380 ( 0.608 -6.006 3.231) 6.847 13.380 ( 0.608 6.006 3.231) 6.847 13.542 ( 1.483 -10.529 2.341) 10.887 13.542 ( 1.483 10.529 2.341) 10.887 14.145 ( -2.907 -3.077 12.647) 13.336 14.145 ( -2.907 3.077 12.647) 13.336 14.404 ( -1.759 -4.556 -0.543) 4.914 14.404 ( -1.759 4.556 -0.543) 4.914 14.898 ( -7.863 -3.353 -4.728) 9.768 14.898 ( -7.863 3.353 -4.728) 9.768 17.183 ( 11.015 -1.891 13.324) 17.391 17.183 ( 11.015 1.891 13.324) 17.391 18.537 ( -3.104 -1.324 -7.959) 8.645 18.537 ( -3.104 1.324 -7.959) 8.645 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 4.356 -1.298 7.106) 8.435 1.698 ( 4.356 1.298 7.106) 8.435 2.007 ( 5.212 -5.099 -1.018) 7.362 2.007 ( 5.212 5.099 -1.018) 7.362 2.167 ( -1.107 -16.113 13.351) 20.955 2.167 ( -1.107 16.113 13.351) 20.955 2.497 ( -1.658 -7.855 -7.623) 11.071 2.497 ( -1.658 7.855 -7.623) 11.071 3.034 ( -7.339 -8.671 -7.878) 13.825 3.034 ( -7.339 8.671 -7.878) 13.825 3.257 ( -5.241 -4.479 -0.192) 6.897 3.257 ( -5.241 4.479 -0.192) 6.897 3.583 ( -0.844 -0.488 0.737) 1.223 3.583 ( -0.844 0.488 0.737) 1.223 3.818 ( 13.297 -8.198 -2.457) 15.813 3.818 ( 13.297 8.198 -2.457) 15.813 4.252 ( -0.706 -10.873 -5.633) 12.266 4.252 ( -0.706 10.873 -5.633) 12.266 4.612 ( 6.273 -7.584 1.180) 9.913 4.612 ( 6.273 7.584 1.180) 9.913 4.842 ( 5.802 -1.829 -2.365) 6.527 4.842 ( 5.802 1.829 -2.365) 6.527 5.455 ( -4.423 -1.532 -1.026) 4.792 5.455 ( -4.423 1.532 -1.026) 4.792 5.874 ( -10.662 -9.584 0.994) 14.371 5.874 ( -10.662 9.584 0.994) 14.371 6.012 ( -5.352 -3.691 1.018) 6.581 6.012 ( -5.352 3.691 1.018) 6.581 6.844 ( 7.918 -7.471 -1.627) 11.007 6.844 ( 7.918 7.471 -1.627) 11.007 7.476 ( 1.182 -3.823 12.702) 13.317 7.476 ( 1.182 3.823 12.702) 13.317 7.892 ( 15.815 -4.325 -9.948) 19.177 7.892 ( 15.815 4.325 -9.948) 19.177 8.955 ( -4.852 -10.973 0.759) 12.022 8.955 ( -4.852 10.973 0.759) 12.022 9.963 ( 8.345 -7.336 -3.048) 11.522 9.963 ( 8.345 7.336 -3.048) 11.522 10.315 ( 1.222 -8.804 -4.851) 10.126 10.315 ( 1.222 8.804 -4.851) 10.126 10.789 ( -6.959 -15.268 -3.029) 17.051 10.789 ( -6.959 15.268 -3.029) 17.051 11.005 ( -8.622 -7.475 -4.375) 12.221 11.005 ( -8.622 7.475 -4.375) 12.221 13.215 ( 3.097 -11.071 2.186) 11.702 13.215 ( 3.097 11.071 2.186) 11.702 13.399 ( 1.114 -7.000 -0.524) 7.107 13.399 ( 1.114 7.000 -0.524) 7.107 13.574 ( 1.613 -12.301 0.589) 12.420 13.574 ( 1.613 12.301 0.589) 12.420 14.072 ( -4.160 -4.313 7.414) 9.533 14.072 ( -4.160 4.313 7.414) 9.533 14.361 ( -1.947 -2.339 -3.046) 4.306 14.361 ( -1.947 2.339 -3.046) 4.306 14.713 ( -8.913 -4.186 -5.579) 11.317 14.713 ( -8.913 4.186 -5.579) 11.317 17.457 ( 14.298 -4.414 11.394) 18.809 17.457 ( 14.298 4.414 11.394) 18.809 18.439 ( -6.283 -0.774 -5.471) 8.367 18.439 ( -6.283 0.774 -5.471) 8.367 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 5.163 -8.432 7.769) 12.574 1.800 ( 5.163 8.432 7.769) 12.574 2.013 ( -4.794 -10.635 9.387) 14.974 2.013 ( -4.794 10.635 9.387) 14.974 2.194 ( 6.134 -3.924 2.125) 7.586 2.194 ( 6.134 3.924 2.125) 7.586 2.487 ( -2.231 -4.769 -2.630) 5.886 2.487 ( -2.231 4.769 -2.630) 5.886 2.893 ( -3.800 -6.397 -2.124) 7.738 2.893 ( -3.800 6.397 -2.124) 7.738 3.094 ( -8.674 -8.213 1.121) 11.998 3.094 ( -8.674 8.213 1.121) 11.998 3.691 ( 8.878 -2.075 -9.242) 12.983 3.691 ( 8.878 2.075 -9.242) 12.983 4.037 ( 1.197 -10.898 -10.591) 15.243 4.037 ( 1.197 10.898 -10.591) 15.243 4.255 ( 6.799 -7.388 -5.302) 11.355 4.255 ( 6.799 7.388 -5.302) 11.355 4.651 ( -2.962 -11.664 -5.777) 13.349 4.651 ( -2.962 11.664 -5.777) 13.349 5.037 ( 11.614 -4.959 4.858) 13.530 5.037 ( 11.614 4.959 4.858) 13.530 5.421 ( -0.202 -2.672 -2.466) 3.642 5.421 ( -0.202 2.672 -2.466) 3.642 5.655 ( -8.177 -4.789 7.186) 11.892 5.655 ( -8.177 4.789 7.186) 11.892 5.865 ( -8.583 -2.698 2.556) 9.353 5.865 ( -8.583 2.698 2.556) 9.353 7.013 ( 8.604 -3.013 4.421) 10.132 7.013 ( 8.604 3.013 4.421) 10.132 7.386 ( -7.624 -6.820 13.941) 17.291 7.386 ( -7.624 6.820 13.941) 17.291 8.269 ( 17.783 -11.335 -11.832) 24.181 8.269 ( 17.783 11.335 -11.832) 24.181 8.821 ( -8.372 -12.726 -2.501) 15.437 8.821 ( -8.372 12.726 -2.501) 15.437 10.148 ( 9.133 -6.090 -2.815) 11.333 10.148 ( 9.133 6.090 -2.815) 11.333 10.383 ( 4.786 -10.423 -3.938) 12.126 10.383 ( 4.786 10.423 -3.938) 12.126 10.620 ( -8.184 -12.896 -0.038) 15.274 10.620 ( -8.184 12.896 -0.038) 15.274 10.816 ( -9.385 -8.826 -2.500) 13.124 10.816 ( -9.385 8.826 -2.500) 13.124 13.288 ( 3.860 -7.206 1.159) 8.257 13.288 ( 3.860 7.206 1.159) 8.257 13.410 ( -0.598 -3.003 0.473) 3.099 13.410 ( -0.598 3.003 0.473) 3.099 13.630 ( 4.481 -8.135 -5.127) 10.608 13.630 ( 4.481 8.135 -5.127) 10.608 13.950 ( -7.778 -6.150 -2.972) 10.351 13.950 ( -7.778 6.150 -2.972) 10.351 14.352 ( 1.581 -1.605 -3.140) 3.865 14.352 ( 1.581 1.605 -3.140) 3.865 14.546 ( -6.901 -3.987 -3.923) 8.883 14.546 ( -6.901 3.987 -3.923) 8.883 17.757 ( 14.157 -4.047 7.862) 16.691 17.757 ( 14.157 4.047 7.862) 16.691 18.273 ( -9.672 -0.486 -1.611) 9.817 18.273 ( -9.672 0.486 -1.611) 9.817 ======================= Grid point 161 (60/100) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -4.666 -13.454 8.675) 16.674 1.906 ( 4.283 -13.422 8.675) 16.545 1.906 ( -4.283 13.422 8.675) 16.545 1.906 ( 4.666 13.454 8.675) 16.674 2.358 ( -7.445 -3.528 0.044) 8.239 2.358 ( -4.563 -1.947 0.044) 4.961 2.358 ( 4.563 1.947 0.044) 4.961 2.358 ( 7.445 3.528 0.044) 8.239 2.931 ( -5.999 -7.278 1.758) 9.594 2.931 ( 5.037 -7.094 1.758) 8.876 2.931 ( -5.037 7.094 1.758) 8.876 2.931 ( 5.999 7.278 1.758) 9.595 3.897 ( -6.528 -9.700 -14.648) 18.742 3.897 ( -1.507 -9.165 -14.648) 17.345 3.897 ( 1.507 9.165 -14.648) 17.345 3.897 ( 6.528 9.700 -14.648) 18.742 4.494 ( -10.279 -12.805 -5.315) 17.259 4.494 ( 6.259 -12.139 -5.315) 14.655 4.494 ( -6.259 12.139 -5.315) 14.655 4.494 ( 10.279 12.805 -5.315) 17.259 5.287 ( -8.297 -15.075 3.066) 17.479 5.287 ( 2.107 -14.531 3.066) 15.000 5.287 ( -2.107 14.531 3.066) 15.000 5.287 ( 8.297 15.075 3.066) 17.479 5.678 ( -7.656 -4.420 4.922) 10.118 5.678 ( -0.892 -2.254 4.922) 5.487 5.678 ( 0.892 2.254 4.922) 5.487 5.678 ( 7.656 4.420 4.922) 10.118 7.203 ( -8.277 -5.768 9.688) 13.987 7.203 ( -1.007 -4.049 9.688) 10.548 7.203 ( 1.007 4.049 9.688) 10.548 7.203 ( 8.277 5.768 9.688) 13.987 8.596 ( -13.271 -12.912 -7.063) 19.817 8.596 ( 13.262 -12.909 -7.063) 19.809 8.596 ( -13.262 12.909 -7.063) 19.809 8.596 ( 13.271 12.912 -7.063) 19.817 10.343 ( -8.802 -4.534 -4.316) 10.801 10.343 ( -0.760 -1.154 -4.316) 4.532 10.343 ( 0.760 1.154 -4.316) 4.532 10.343 ( 8.802 4.534 -4.316) 10.801 10.622 ( -7.039 -10.313 0.837) 12.514 10.622 ( 3.455 -9.846 0.837) 10.469 10.622 ( -3.455 9.846 0.837) 10.469 10.622 ( 7.039 10.313 0.837) 12.514 13.367 ( -1.271 -15.857 1.481) 15.976 13.367 ( 0.646 -15.847 1.481) 15.929 13.367 ( -0.646 15.847 1.481) 15.929 13.367 ( 1.271 15.857 1.481) 15.976 13.770 ( -7.782 -7.911 -8.563) 14.017 13.770 ( 3.826 -7.149 -8.563) 11.793 13.770 ( -3.826 7.149 -8.563) 11.793 13.770 ( 7.782 7.911 -8.563) 14.017 14.423 ( -4.865 -3.142 -2.631) 6.361 14.423 ( 4.031 -2.832 -2.631) 5.585 14.423 ( -4.031 2.832 -2.631) 5.585 14.423 ( 4.865 3.142 -2.631) 6.361 18.039 ( -12.512 -2.242 3.138) 13.093 18.039 ( -12.384 2.058 3.138) 12.940 18.039 ( 12.384 -2.058 3.138) 12.940 18.039 ( 12.512 2.242 3.138) 13.093 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 0.000 19.287) 19.287 1.500 ( 0.000 0.000 15.327) 15.327 1.902 ( 0.000 0.000 -13.996) 13.996 2.050 ( 0.000 0.000 -0.004) 0.004 2.304 ( 0.000 0.000 -13.867) 13.867 2.309 ( 0.000 0.000 -10.568) 10.568 2.431 ( 0.000 0.000 -6.390) 6.390 2.680 ( 0.000 0.000 9.207) 9.207 2.755 ( 0.000 0.000 -9.613) 9.613 2.920 ( 0.000 0.000 0.971) 0.971 2.995 ( 0.000 0.000 22.762) 22.762 3.049 ( 0.000 0.000 -4.401) 4.401 3.405 ( 0.000 0.000 19.737) 19.737 3.691 ( 0.000 0.000 10.376) 10.376 3.955 ( 0.000 0.000 10.602) 10.602 4.121 ( 0.000 0.000 -0.984) 0.984 4.216 ( 0.000 0.000 -1.901) 1.901 4.288 ( 0.000 0.000 -8.048) 8.048 4.333 ( 0.000 0.000 0.376) 0.376 4.579 ( 0.000 0.000 -14.631) 14.631 4.858 ( 0.000 0.000 -5.245) 5.245 4.889 ( 0.000 0.000 10.204) 10.204 5.333 ( 0.000 0.000 0.186) 0.186 5.522 ( 0.000 0.000 -10.817) 10.817 5.590 ( 0.000 0.000 -9.467) 9.467 5.779 ( 0.000 0.000 -31.991) 31.991 6.184 ( 0.000 0.000 20.349) 20.349 6.188 ( 0.000 0.000 -1.576) 1.576 6.306 ( 0.000 0.000 -4.408) 4.408 6.903 ( 0.000 0.000 -0.725) 0.725 7.055 ( 0.000 0.000 -5.210) 5.210 7.121 ( 0.000 0.000 -12.293) 12.293 7.529 ( 0.000 0.000 8.355) 8.355 8.022 ( 0.000 0.000 -6.694) 6.694 9.308 ( 0.000 0.000 17.697) 17.697 9.445 ( 0.000 0.000 7.877) 7.877 9.583 ( 0.000 0.000 1.815) 1.815 9.789 ( 0.000 0.000 17.264) 17.264 10.155 ( 0.000 0.000 -3.616) 3.616 10.163 ( 0.000 0.000 -8.314) 8.314 10.246 ( 0.000 0.000 -20.003) 20.003 10.802 ( 0.000 0.000 -8.060) 8.060 11.017 ( 0.000 0.000 -11.324) 11.324 11.061 ( 0.000 0.000 -16.413) 16.413 12.411 ( 0.000 0.000 7.269) 7.269 12.646 ( 0.000 0.000 -2.122) 2.122 13.620 ( 0.000 0.000 15.464) 15.464 13.663 ( 0.000 0.000 9.869) 9.869 13.805 ( 0.000 0.000 5.086) 5.086 14.087 ( 0.000 0.000 4.403) 4.403 14.102 ( 0.000 0.000 -2.927) 2.927 14.287 ( 0.000 0.000 8.195) 8.195 14.401 ( 0.000 0.000 2.770) 2.770 14.588 ( 0.000 0.000 -14.461) 14.461 14.990 ( 0.000 0.000 1.022) 1.022 14.992 ( 0.000 0.000 7.888) 7.888 17.625 ( 0.000 0.000 16.739) 16.739 17.810 ( 0.000 0.000 6.161) 6.161 18.386 ( 0.000 0.000 -11.558) 11.558 18.538 ( 0.000 0.000 -11.440) 11.440 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.218 0.000 9.037) 9.039 1.636 ( 11.903 0.000 17.424) 21.102 1.815 ( -7.952 0.000 -14.135) 16.218 2.116 ( 5.079 0.000 0.797) 5.141 2.241 ( -5.459 0.000 -7.363) 9.167 2.389 ( 2.425 0.000 -11.448) 11.703 2.447 ( 4.894 0.000 -6.431) 8.082 2.675 ( 0.221 0.000 7.962) 7.965 2.781 ( 2.750 0.000 -6.793) 7.328 2.950 ( 2.518 0.000 1.480) 2.921 3.049 ( 3.111 0.000 5.009) 5.896 3.093 ( 3.785 0.000 -3.937) 5.462 3.288 ( -4.360 0.000 28.515) 28.847 3.524 ( -10.381 0.000 10.258) 14.594 4.047 ( 4.826 0.000 4.059) 6.306 4.049 ( -8.767 0.000 2.491) 9.114 4.059 ( -11.881 0.000 3.757) 12.461 4.325 ( -1.307 0.000 2.120) 2.491 4.444 ( 13.442 0.000 -7.822) 15.552 4.588 ( 0.762 0.000 -16.320) 16.338 4.815 ( -3.251 0.000 -4.723) 5.734 4.970 ( 5.643 0.000 8.236) 9.983 5.329 ( -0.536 0.000 1.385) 1.485 5.512 ( -0.474 0.000 -9.244) 9.257 5.580 ( -0.610 0.000 -6.400) 6.429 5.778 ( -1.158 0.000 -28.977) 29.000 6.112 ( -4.961 0.000 -1.033) 5.068 6.287 ( -2.356 0.000 -4.212) 4.827 6.303 ( 10.167 0.000 17.211) 19.990 6.999 ( 8.458 0.000 0.279) 8.463 7.138 ( 1.303 0.000 -10.741) 10.820 7.311 ( 20.590 0.000 -7.924) 22.062 7.446 ( -4.896 0.000 7.158) 8.672 8.033 ( 0.297 0.000 -7.680) 7.686 9.181 ( -11.824 0.000 17.290) 20.946 9.489 ( 3.903 0.000 6.635) 7.698 9.586 ( -1.040 0.000 0.449) 1.133 9.810 ( 2.462 0.000 16.709) 16.890 10.105 ( -0.617 0.000 -5.514) 5.548 10.118 ( -4.055 0.000 -7.306) 8.356 10.364 ( 7.367 0.000 -16.076) 17.683 10.739 ( -5.144 0.000 -4.878) 7.089 11.032 ( -2.863 0.000 -15.070) 15.340 11.063 ( 3.523 0.000 -11.355) 11.889 12.435 ( 2.129 0.000 6.246) 6.599 12.648 ( 0.092 0.000 -2.133) 2.135 13.489 ( -8.110 0.000 9.694) 12.639 13.493 ( -12.591 0.000 12.971) 18.077 13.930 ( 7.807 0.000 7.348) 10.721 14.060 ( -4.349 0.000 -5.191) 6.772 14.097 ( -1.676 0.000 0.619) 1.786 14.284 ( -0.544 0.000 7.181) 7.202 14.390 ( -0.811 0.000 2.043) 2.198 14.536 ( -4.278 0.000 -12.630) 13.335 14.835 ( -8.330 0.000 6.457) 10.540 14.988 ( -4.570 0.000 1.854) 4.932 17.678 ( 4.894 0.000 16.101) 16.829 17.906 ( 7.634 0.000 4.267) 8.745 18.386 ( -0.192 0.000 -10.227) 10.228 18.525 ( -1.370 0.000 -10.292) 10.383 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -7.752 0.000 -5.715) 9.630 1.582 ( -13.722 0.000 -15.461) 20.672 1.885 ( 10.582 0.000 14.263) 17.760 2.082 ( -8.147 0.000 -1.538) 8.291 2.246 ( 7.803 0.000 7.796) 11.030 2.366 ( -2.971 0.000 -8.706) 9.199 2.591 ( 2.479 0.000 4.105) 4.796 2.729 ( 7.512 0.000 -3.799) 8.418 2.858 ( 3.280 0.000 -0.090) 3.282 2.981 ( -0.133 0.000 0.119) 0.179 3.046 ( 0.305 0.000 -7.990) 7.996 3.197 ( 5.973 0.000 -0.769) 6.022 3.394 ( -0.828 0.000 2.337) 2.479 3.456 ( 17.605 0.000 23.522) 29.380 3.781 ( -13.223 0.000 2.640) 13.484 3.834 ( -10.611 0.000 8.811) 13.792 4.074 ( -4.350 0.000 -12.438) 13.176 4.303 ( 1.957 0.000 11.248) 11.417 4.597 ( 1.783 0.000 -12.842) 12.965 4.752 ( -2.755 0.000 -3.275) 4.280 4.767 ( 14.472 0.000 -6.220) 15.752 5.037 ( -0.843 0.000 6.226) 6.283 5.323 ( 0.483 0.000 3.919) 3.948 5.514 ( 0.848 0.000 -6.555) 6.610 5.561 ( -1.600 0.000 -2.655) 3.100 5.722 ( -3.256 0.000 -20.295) 20.554 6.004 ( -5.707 0.000 -0.041) 5.707 6.216 ( -4.755 0.000 -4.020) 6.226 6.555 ( 12.999 0.000 12.860) 18.285 7.158 ( 0.167 0.000 -6.672) 6.674 7.179 ( 6.919 0.000 6.217) 9.302 7.407 ( 6.653 0.000 4.988) 8.316 7.853 ( 27.073 0.000 -15.785) 31.339 8.004 ( -3.516 0.000 -8.420) 9.125 8.845 ( -19.322 0.000 16.024) 25.102 9.494 ( -7.982 0.000 -3.496) 8.714 9.579 ( 3.980 0.000 4.909) 6.319 9.922 ( 8.787 0.000 12.404) 15.201 10.006 ( -6.292 0.000 -3.680) 7.289 10.145 ( 3.337 0.000 -3.242) 4.653 10.515 ( 4.950 0.000 -16.192) 16.931 10.630 ( -2.502 0.000 5.048) 5.634 10.936 ( -6.499 0.000 -10.788) 12.594 11.125 ( 1.567 0.000 -9.275) 9.407 12.487 ( 2.526 0.000 2.870) 3.823 12.648 ( -0.064 0.000 -2.493) 2.494 13.266 ( -7.193 0.000 10.912) 13.069 13.354 ( -4.188 0.000 3.203) 5.272 13.899 ( -10.612 0.000 -11.220) 15.444 13.959 ( -11.301 0.000 -5.180) 12.431 14.088 ( 6.767 0.000 5.945) 9.008 14.265 ( -0.434 0.000 5.410) 5.428 14.387 ( 0.500 0.000 -0.568) 0.757 14.446 ( -3.756 0.000 -7.243) 8.159 14.688 ( -5.957 0.000 6.316) 8.682 14.851 ( -7.305 0.000 1.015) 7.375 17.819 ( 8.291 0.000 13.748) 16.054 18.063 ( 6.538 0.000 2.177) 6.891 18.369 ( -1.518 0.000 -7.281) 7.437 18.474 ( -3.675 0.000 -7.085) 7.982 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -10.836 0.000 -15.203) 18.670 1.284 ( -13.386 0.000 -17.492) 22.026 1.957 ( -1.964 0.000 -0.706) 2.087 2.049 ( 2.255 0.000 0.934) 2.441 2.308 ( 0.020 0.000 2.526) 2.526 2.443 ( 10.424 0.000 11.370) 15.426 2.539 ( -5.190 0.000 8.936) 10.334 2.821 ( -6.200 0.000 7.197) 9.500 2.946 ( 10.660 0.000 -8.655) 13.731 3.047 ( 6.708 0.000 -2.092) 7.027 3.096 ( 2.922 0.000 -10.625) 11.019 3.276 ( 0.049 0.000 -3.885) 3.885 3.477 ( 7.665 0.000 -3.887) 8.594 3.548 ( -8.050 0.000 5.200) 9.584 3.625 ( -8.604 0.000 6.281) 10.652 3.890 ( -11.043 0.000 -13.123) 17.151 3.914 ( 23.798 0.000 12.445) 26.856 4.420 ( 7.541 0.000 6.805) 10.158 4.640 ( -0.009 0.000 -4.838) 4.838 4.684 ( -4.117 0.000 -1.466) 4.370 4.922 ( -7.047 0.000 -1.229) 7.153 4.985 ( 3.624 0.000 -7.225) 8.084 5.356 ( 2.523 0.000 4.984) 5.586 5.505 ( -3.602 0.000 0.778) 3.685 5.569 ( 5.369 0.000 -1.079) 5.477 5.685 ( 0.155 0.000 -9.094) 9.096 5.887 ( -4.715 0.000 1.533) 4.958 6.065 ( -9.561 0.000 -1.758) 9.721 6.815 ( 11.374 0.000 8.601) 14.260 7.128 ( -3.254 0.000 -1.440) 3.558 7.359 ( 11.825 0.000 7.797) 14.164 7.655 ( 14.564 0.000 0.402) 14.569 7.876 ( -8.821 0.000 -6.683) 11.067 8.341 ( 0.418 0.000 0.006) 0.418 8.478 ( 3.710 0.000 -2.819) 4.659 9.259 ( -14.341 0.000 -8.547) 16.695 9.653 ( 3.599 0.000 3.701) 5.163 9.867 ( -6.533 0.000 -2.579) 7.023 10.173 ( 14.248 0.000 8.714) 16.701 10.216 ( 3.599 0.000 0.013) 3.599 10.440 ( -6.632 0.000 -3.141) 7.338 10.753 ( -11.069 0.000 -4.134) 11.815 10.773 ( 10.380 0.000 0.041) 10.381 11.105 ( -3.699 0.000 -5.075) 6.280 12.541 ( 2.819 0.000 -2.403) 3.704 12.641 ( -0.882 0.000 -3.492) 3.602 13.228 ( 3.460 0.000 2.043) 4.018 13.327 ( 1.717 0.000 -3.060) 3.509 13.646 ( -12.355 0.000 -13.290) 18.146 13.673 ( -14.714 0.000 -7.865) 16.684 14.215 ( 5.340 0.000 3.181) 6.215 14.285 ( 2.328 0.000 1.857) 2.978 14.379 ( -2.938 0.000 -2.684) 3.980 14.396 ( -0.303 0.000 -3.626) 3.638 14.585 ( -3.019 0.000 7.051) 7.670 14.710 ( -6.166 0.000 1.253) 6.292 18.009 ( 9.576 0.000 9.319) 13.362 18.174 ( 4.322 0.000 0.620) 4.366 18.322 ( -2.893 0.000 -4.189) 5.091 18.367 ( -6.546 0.000 -2.276) 6.931 ======================= Grid point 193 (65/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -1.604 0.000 -18.706) 18.775 1.108 ( 1.604 0.000 -18.706) 18.775 1.991 ( -4.417 0.000 -5.338) 6.928 1.991 ( 4.417 0.000 -5.338) 6.928 2.407 ( -6.936 0.000 10.467) 12.557 2.407 ( 6.936 0.000 10.467) 12.557 2.654 ( -9.377 0.000 9.689) 13.484 2.654 ( 9.377 0.000 9.689) 13.484 3.107 ( -3.342 0.000 -12.013) 12.470 3.107 ( 3.342 0.000 -12.013) 12.470 3.200 ( -6.615 0.000 -2.963) 7.249 3.200 ( 6.615 0.000 -2.963) 7.249 3.486 ( -2.875 0.000 7.973) 8.475 3.486 ( 2.875 0.000 7.973) 8.475 3.665 ( -9.998 0.000 -9.554) 13.829 3.665 ( 9.998 0.000 -9.554) 13.829 4.400 ( -20.765 0.000 4.069) 21.160 4.400 ( 20.765 0.000 4.069) 21.160 4.573 ( -6.540 0.000 1.684) 6.753 4.573 ( 6.540 0.000 1.684) 6.753 4.934 ( -5.854 0.000 -7.691) 9.666 4.934 ( 5.854 0.000 -7.691) 9.666 5.424 ( -3.849 0.000 3.721) 5.354 5.424 ( 3.849 0.000 3.721) 5.354 5.693 ( -2.163 0.000 0.930) 2.355 5.693 ( 2.163 0.000 0.930) 2.355 5.869 ( -5.963 0.000 -1.392) 6.124 5.869 ( 5.963 0.000 -1.392) 6.124 7.016 ( -7.584 0.000 3.827) 8.495 7.016 ( 7.584 0.000 3.827) 8.495 7.639 ( -13.454 0.000 0.777) 13.477 7.639 ( 13.454 0.000 0.777) 13.477 7.988 ( -17.596 0.000 5.520) 18.441 7.988 ( 17.596 0.000 5.520) 18.441 8.898 ( -20.093 0.000 -13.052) 23.960 8.898 ( 20.093 0.000 -13.052) 23.960 9.743 ( -5.135 0.000 0.999) 5.231 9.743 ( 5.135 0.000 0.999) 5.231 10.309 ( -5.493 0.000 0.923) 5.570 10.309 ( 5.493 0.000 0.923) 5.570 10.481 ( -14.511 0.000 2.586) 14.739 10.481 ( 14.511 0.000 2.586) 14.739 10.976 ( -8.387 0.000 -1.710) 8.560 10.976 ( 8.387 0.000 -1.710) 8.560 12.603 ( -2.745 0.000 -4.690) 5.434 12.603 ( 2.745 0.000 -4.690) 5.434 13.391 ( -11.458 0.000 -5.552) 12.733 13.391 ( 11.458 0.000 -5.552) 12.733 13.427 ( -7.909 0.000 -9.254) 12.173 13.427 ( 7.909 0.000 -9.254) 12.173 14.311 ( -3.835 0.000 0.342) 3.850 14.311 ( 3.835 0.000 0.342) 3.850 14.351 ( -3.465 0.000 -1.430) 3.749 14.351 ( 3.465 0.000 -1.430) 3.749 14.599 ( -3.916 0.000 3.568) 5.297 14.599 ( 3.916 0.000 3.568) 5.297 18.205 ( -8.832 0.000 3.537) 9.514 18.205 ( 8.832 0.000 3.537) 9.514 18.254 ( -3.522 0.000 -1.490) 3.824 18.254 ( 3.522 0.000 -1.490) 3.824 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 2.894 14.825) 15.105 1.626 ( 0.000 9.818 14.359) 17.395 1.894 ( 0.000 -0.830 -5.677) 5.737 1.957 ( 0.000 -7.372 0.917) 7.429 2.231 ( 0.000 -6.376 -7.071) 9.521 2.261 ( 0.000 -3.932 -13.220) 13.792 2.529 ( 0.000 9.185 -6.660) 11.345 2.657 ( 0.000 0.187 0.344) 0.391 2.801 ( 0.000 1.614 -9.773) 9.905 2.890 ( 0.000 -7.052 9.712) 12.003 3.052 ( 0.000 8.866 3.785) 9.640 3.155 ( 0.000 9.171 -3.855) 9.949 3.391 ( 0.000 0.003 18.864) 18.864 3.845 ( 0.000 12.266 11.582) 16.870 3.990 ( 0.000 -2.108 1.088) 2.372 4.025 ( 0.000 -6.705 5.353) 8.580 4.033 ( 0.000 -11.964 4.799) 12.891 4.232 ( 0.000 -1.173 -0.670) 1.351 4.365 ( 0.000 3.226 -2.298) 3.961 4.532 ( 0.000 -3.813 -13.663) 14.186 4.832 ( 0.000 -4.651 10.261) 11.266 4.930 ( 0.000 2.099 -8.609) 8.861 5.464 ( 0.000 -0.587 -9.560) 9.578 5.470 ( 0.000 9.905 -0.785) 9.936 5.784 ( 0.000 12.911 -11.320) 17.171 5.796 ( 0.000 1.551 -30.092) 30.132 6.029 ( 0.000 -6.404 8.781) 10.869 6.249 ( 0.000 -5.271 -4.016) 6.627 6.304 ( 0.000 3.852 7.040) 8.024 6.904 ( 0.000 -12.217 -5.771) 13.511 6.915 ( 0.000 1.345 -1.153) 1.772 7.133 ( 0.000 -0.565 -9.124) 9.141 7.608 ( 0.000 7.485 10.099) 12.570 8.064 ( 0.000 3.323 -2.622) 4.233 9.243 ( 0.000 -5.911 16.559) 17.582 9.471 ( 0.000 -8.303 3.458) 8.995 9.487 ( 0.000 4.378 4.527) 6.298 9.814 ( 0.000 -1.204 5.161) 5.300 10.118 ( 0.000 1.358 1.423) 1.967 10.181 ( 0.000 -5.577 -18.428) 19.253 10.307 ( 0.000 9.649 -8.479) 12.845 10.876 ( 0.000 7.064 -4.535) 8.394 10.961 ( 0.000 -0.843 -14.748) 14.773 11.203 ( 0.000 7.419 -9.697) 12.209 12.524 ( 0.000 11.128 6.886) 13.086 12.794 ( 0.000 13.783 -3.165) 14.142 13.610 ( 0.000 -0.982 15.282) 15.314 13.645 ( 0.000 -1.662 10.137) 10.272 13.800 ( 0.000 -0.999 4.504) 4.613 13.903 ( 0.000 -12.697 3.062) 13.061 14.175 ( 0.000 4.258 1.470) 4.505 14.325 ( 0.000 1.626 3.902) 4.228 14.369 ( 0.000 -2.862 2.190) 3.604 14.569 ( 0.000 -2.024 -13.369) 13.521 14.988 ( 0.000 -0.303 7.618) 7.624 14.991 ( 0.000 0.047 1.336) 1.336 17.561 ( 0.000 -5.917 16.621) 17.643 17.687 ( 0.000 -10.837 9.876) 14.662 18.372 ( 0.000 -1.263 -11.985) 12.052 18.500 ( 0.000 -3.560 -11.932) 12.452 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.12 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 6.071 4.658 10.693) 13.149 1.662 ( 5.976 8.603 7.750) 13.030 1.851 ( -2.866 2.699 -3.779) 5.457 1.999 ( 2.825 -8.286 1.625) 8.903 2.211 ( -2.129 -3.361 -4.006) 5.646 2.327 ( 3.966 -5.310 -9.588) 11.655 2.506 ( -0.546 5.604 -6.864) 8.878 2.648 ( -0.516 -0.482 -0.147) 0.721 2.834 ( 2.507 1.252 -2.470) 3.735 2.904 ( 2.369 -6.578 1.786) 7.216 3.076 ( 0.735 6.570 -4.162) 7.812 3.189 ( 2.478 8.393 -0.395) 8.760 3.360 ( 1.843 6.092 21.509) 22.431 3.629 ( -12.957 7.834 9.829) 18.052 3.928 ( -8.182 -9.728 -1.684) 12.822 3.950 ( -5.606 -8.523 7.924) 12.917 4.073 ( 3.061 1.180 5.217) 6.163 4.330 ( -3.135 1.834 -2.338) 4.319 4.457 ( 14.250 1.665 0.765) 14.368 4.556 ( 2.234 -2.791 -13.744) 14.201 4.788 ( -3.215 -2.368 0.326) 4.006 4.936 ( 0.875 -4.186 -0.224) 4.283 5.348 ( -4.606 2.197 -5.019) 7.158 5.561 ( 3.171 5.660 -2.652) 7.009 5.713 ( -3.962 6.665 -3.397) 8.465 5.791 ( -1.836 1.516 -26.647) 26.753 6.073 ( 0.064 0.321 -2.211) 2.235 6.222 ( -2.055 -5.017 -2.488) 5.966 6.366 ( 8.245 3.236 10.370) 13.637 6.991 ( 4.005 -7.170 -5.771) 10.037 7.032 ( 10.154 -1.552 -2.502) 10.572 7.314 ( 18.618 -0.916 -9.256) 20.812 7.542 ( -4.867 8.716 9.506) 13.785 8.074 ( 0.200 3.169 -3.909) 5.036 9.121 ( -11.167 -5.249 15.922) 20.144 9.437 ( -0.967 -7.498 2.809) 8.065 9.551 ( 2.947 2.747 4.260) 5.863 9.872 ( 5.767 -0.256 2.682) 6.366 10.087 ( -2.662 2.480 3.361) 4.953 10.198 ( 0.191 3.500 -11.373) 11.900 10.337 ( 3.854 0.007 -13.368) 13.912 10.791 ( -6.336 5.209 -3.582) 8.950 10.994 ( 1.091 0.326 -13.347) 13.395 11.183 ( -1.771 5.837 -8.107) 10.145 12.549 ( 2.211 11.184 5.987) 12.877 12.789 ( -0.539 13.363 -3.107) 13.730 13.461 ( -9.822 -1.387 11.624) 15.281 13.523 ( -9.094 1.588 10.325) 13.851 13.885 ( 6.211 -5.495 6.821) 10.738 13.954 ( 0.926 -7.805 -0.919) 7.913 14.138 ( -3.806 3.249 -0.667) 5.048 14.294 ( -2.981 -0.005 3.921) 4.925 14.368 ( -0.146 -1.911 0.902) 2.118 14.510 ( -4.900 -2.609 -11.789) 13.031 14.835 ( -8.703 0.126 6.439) 10.827 14.974 ( -5.176 -1.390 2.005) 5.723 17.621 ( 5.490 -5.194 16.005) 17.700 17.795 ( 8.675 -9.953 7.558) 15.213 18.370 ( -0.345 -1.432 -10.625) 10.727 18.486 ( -1.388 -3.578 -10.701) 11.368 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -7.971 10.166 -5.981) 14.236 1.688 ( -7.147 11.291 -8.196) 15.676 1.942 ( 8.888 5.063 10.612) 14.739 2.025 ( -1.787 -4.348 0.204) 4.706 2.197 ( 5.078 -3.875 9.511) 11.457 2.341 ( -1.759 -2.748 -6.913) 7.644 2.563 ( 3.036 -2.217 1.120) 3.923 2.651 ( 2.322 -4.678 -2.918) 5.982 2.909 ( 4.309 -0.550 -0.675) 4.396 2.959 ( 1.596 -2.913 -5.122) 6.104 3.067 ( -0.557 5.206 -0.499) 5.260 3.278 ( 4.551 8.175 -1.237) 9.437 3.405 ( -1.326 1.952 6.104) 6.544 3.565 ( 10.196 5.021 9.053) 14.530 3.721 ( -9.631 -3.991 1.533) 10.538 3.802 ( -7.123 -1.335 11.027) 13.195 4.123 ( -0.201 1.911 -7.355) 7.601 4.242 ( -2.593 -1.573 3.744) 4.819 4.537 ( -2.083 -6.589 -10.519) 12.586 4.718 ( -1.457 -1.452 -8.541) 8.785 4.795 ( 14.011 1.814 1.438) 14.201 4.998 ( 4.084 -4.299 4.911) 7.700 5.282 ( -1.897 0.061 -1.399) 2.359 5.586 ( -1.525 3.496 -0.460) 3.842 5.668 ( 0.020 6.846 0.532) 6.867 5.710 ( -4.751 -1.070 -18.576) 19.204 6.017 ( -4.877 3.010 -0.955) 5.810 6.152 ( -4.526 -5.441 -3.022) 7.695 6.625 ( 14.198 5.481 8.799) 17.580 7.060 ( 3.890 -5.771 -2.230) 7.308 7.267 ( 8.901 5.131 0.834) 10.308 7.473 ( 2.416 6.416 7.262) 9.987 7.821 ( 26.403 -3.145 -14.784) 30.424 8.039 ( -4.073 2.569 -5.115) 7.025 8.809 ( -17.740 -2.662 13.853) 22.665 9.380 ( -5.727 -8.955 -1.684) 10.763 9.632 ( 5.399 4.957 3.339) 8.054 10.003 ( -0.142 0.440 -7.161) 7.176 10.052 ( 5.639 7.311 12.690) 15.693 10.187 ( -0.311 5.759 -4.744) 7.468 10.453 ( 5.360 -5.556 -14.630) 16.542 10.654 ( -5.046 3.182 2.554) 6.490 10.961 ( -4.837 1.878 -9.581) 10.895 11.142 ( -2.184 0.427 -5.745) 6.162 12.604 ( 2.740 11.452 3.127) 12.183 12.769 ( -1.317 11.758 -2.918) 12.186 13.278 ( -5.846 1.300 9.305) 11.066 13.379 ( -4.230 2.359 3.267) 5.842 13.869 ( -8.285 -3.365 -8.457) 12.308 13.979 ( -10.802 1.552 -5.258) 12.114 14.018 ( 4.642 -6.487 5.225) 9.536 14.244 ( -0.718 -2.458 2.358) 3.481 14.361 ( -1.009 -2.437 -2.717) 3.787 14.408 ( -3.431 -3.265 -4.465) 6.509 14.678 ( -6.281 -0.870 6.173) 8.850 14.825 ( -7.754 -2.401 1.064) 8.186 17.775 ( 8.826 -3.937 13.661) 16.734 17.978 ( 7.930 -7.720 4.439) 11.924 18.350 ( -1.699 -1.758 -7.528) 7.915 18.436 ( -3.567 -3.475 -7.356) 8.883 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.38 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -8.531 14.734 -9.379) 19.438 1.470 ( -11.115 16.237 -9.708) 21.942 1.984 ( -0.473 2.231 -2.707) 3.540 2.063 ( 1.123 1.914 0.298) 2.239 2.307 ( 2.217 -0.359 5.753) 6.176 2.422 ( 11.960 -1.349 9.509) 15.339 2.526 ( -4.476 -1.535 6.283) 7.865 2.782 ( 5.496 -9.365 1.343) 10.942 2.902 ( -2.733 3.014 4.273) 5.901 3.025 ( 4.267 -5.400 -8.410) 10.867 3.079 ( 1.942 -1.532 -4.587) 5.211 3.302 ( -3.306 3.338 -4.493) 6.500 3.451 ( 1.834 -3.280 1.211) 3.948 3.563 ( -0.195 1.902 -0.638) 2.016 3.610 ( -5.619 -0.867 2.524) 6.220 3.879 ( 2.371 3.213 -2.113) 4.517 4.045 ( 4.383 5.999 -5.033) 8.973 4.308 ( 5.226 -5.176 2.400) 7.737 4.485 ( -1.619 -11.819 -3.101) 12.326 4.697 ( -2.629 2.134 -7.153) 7.914 5.022 ( 6.286 1.996 2.039) 6.904 5.048 ( 0.571 5.570 2.248) 6.034 5.290 ( 3.184 -2.674 1.277) 4.350 5.501 ( -5.603 1.437 -5.264) 7.821 5.658 ( 1.254 -0.239 -5.339) 5.490 5.703 ( 2.620 4.754 3.536) 6.478 5.899 ( -5.596 2.519 2.513) 6.631 6.017 ( -8.430 -4.068 -0.548) 9.376 6.895 ( 10.858 6.859 7.130) 14.689 7.144 ( 1.191 1.136 0.165) 1.654 7.366 ( 7.250 1.237 8.305) 11.093 7.699 ( 14.823 4.240 -0.070) 15.418 7.891 ( -10.037 0.708 -3.021) 10.506 8.328 ( 10.192 -1.544 -7.438) 12.711 8.453 ( -4.429 -1.407 1.111) 4.778 9.183 ( -13.088 -7.109 -7.643) 16.741 9.756 ( 5.770 8.968 1.695) 10.798 9.939 ( -3.568 6.295 -1.624) 7.416 10.187 ( 2.606 3.315 2.201) 4.756 10.270 ( 11.066 3.355 3.513) 12.085 10.413 ( -6.950 -1.525 -4.819) 8.594 10.722 ( 8.476 -4.393 1.826) 9.719 10.798 ( -9.728 3.067 -4.560) 11.173 11.071 ( -5.085 -3.603 -3.672) 7.233 12.659 ( 2.554 11.507 -1.606) 11.896 12.743 ( -1.145 10.152 -3.121) 10.682 13.251 ( 3.291 2.257 0.728) 4.057 13.352 ( 1.658 2.362 -2.909) 4.097 13.643 ( -11.983 -0.168 -11.764) 16.793 13.696 ( -14.198 1.748 -8.735) 16.761 14.120 ( 4.481 -8.900 3.006) 10.408 14.252 ( 0.288 -6.611 -0.544) 6.639 14.316 ( -1.262 -2.220 -1.258) 2.846 14.395 ( 0.189 -1.048 -2.546) 2.760 14.568 ( -3.587 -1.651 6.161) 7.318 14.679 ( -6.135 -2.891 1.092) 6.869 17.973 ( 9.788 -3.193 9.199) 13.807 18.117 ( 5.456 -5.290 1.921) 7.839 18.297 ( -3.258 -2.277 -4.093) 5.706 18.332 ( -6.362 -3.176 -2.481) 7.531 ======================= Grid point 202 (70/100) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -1.709 18.057 -10.175) 20.796 1.321 ( 1.709 18.057 -10.175) 20.796 2.017 ( -3.268 2.601 -4.891) 6.432 2.017 ( 3.268 2.601 -4.891) 6.432 2.409 ( -6.120 0.084 9.220) 11.067 2.409 ( 6.120 0.084 9.220) 11.067 2.669 ( -10.484 0.371 9.174) 13.936 2.669 ( 10.484 0.371 9.174) 13.936 3.014 ( -6.118 -8.674 -4.169) 11.404 3.014 ( 6.118 -8.674 -4.169) 11.404 3.169 ( -6.899 -2.581 -4.591) 8.680 3.169 ( 6.899 -2.581 -4.591) 8.680 3.488 ( -3.753 0.420 2.222) 4.381 3.488 ( 3.753 0.420 2.222) 4.381 3.716 ( -9.629 4.640 -9.742) 14.462 3.716 ( 9.629 4.640 -9.742) 14.462 4.292 ( -8.839 -10.143 -4.481) 14.180 4.292 ( 8.839 -10.143 -4.481) 14.180 4.554 ( -8.575 2.950 1.890) 9.263 4.554 ( 8.575 2.950 1.890) 9.263 5.068 ( -0.893 6.967 1.249) 7.134 5.068 ( 0.893 6.967 1.249) 7.134 5.380 ( -5.314 -1.973 -2.332) 6.129 5.380 ( 5.314 -1.973 -2.332) 6.129 5.746 ( -2.232 3.162 2.709) 4.725 5.746 ( 2.232 3.162 2.709) 4.725 5.841 ( -4.590 -1.712 1.576) 5.146 5.841 ( 4.590 -1.712 1.576) 5.146 7.075 ( -6.420 5.542 4.587) 9.642 7.075 ( 6.420 5.542 4.587) 9.642 7.621 ( -14.285 -2.289 4.453) 15.137 7.621 ( 14.285 -2.289 4.453) 15.137 8.034 ( -16.477 4.960 1.183) 17.248 8.034 ( 16.477 4.960 1.183) 17.248 8.841 ( -19.462 -5.716 -12.399) 23.774 8.841 ( 19.462 -5.716 -12.399) 23.774 9.860 ( -4.213 10.771 0.040) 11.566 9.860 ( 4.213 10.771 0.040) 11.566 10.269 ( -5.684 -2.077 0.264) 6.058 10.269 ( 5.684 -2.077 0.264) 6.058 10.538 ( -13.254 3.543 2.757) 13.994 10.538 ( 13.254 3.543 2.757) 13.994 10.924 ( -8.721 -4.861 -2.007) 10.183 10.924 ( 8.721 -4.861 -2.007) 10.183 12.710 ( -2.160 10.611 -3.871) 11.500 12.710 ( 2.160 10.611 -3.871) 11.500 13.402 ( -10.377 1.096 -6.803) 12.457 13.402 ( 10.377 1.096 -6.803) 12.457 13.452 ( -8.064 2.203 -8.342) 11.809 13.452 ( 8.064 2.203 -8.342) 11.809 14.205 ( -3.693 -9.643 0.615) 10.344 14.205 ( 3.693 -9.643 0.615) 10.344 14.356 ( -3.440 0.018 -1.463) 3.738 14.356 ( 3.440 0.018 -1.463) 3.738 14.572 ( -3.644 -2.658 3.075) 5.458 14.572 ( 3.644 -2.658 3.075) 5.459 18.168 ( -8.186 -3.171 3.276) 9.371 18.168 ( 8.186 -3.171 3.276) 9.371 18.220 ( -3.665 -3.229 -0.792) 4.948 18.220 ( 3.665 -3.229 -0.792) 4.948 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.000 4.583 7.395) 8.700 1.743 ( 0.000 -0.545 17.294) 17.303 1.856 ( 0.000 -1.528 -0.249) 1.548 1.873 ( 0.000 -1.538 4.138) 4.414 2.128 ( 0.000 -2.022 3.895) 4.389 2.194 ( 0.000 -1.423 -9.305) 9.414 2.691 ( 0.000 -5.056 3.099) 5.930 2.698 ( 0.000 1.581 -5.840) 6.050 2.777 ( 0.000 9.450 -5.798) 11.087 2.796 ( 0.000 0.389 -17.701) 17.705 3.191 ( 0.000 -3.897 -17.537) 17.965 3.282 ( 0.000 -1.248 -6.523) 6.641 3.421 ( 0.000 9.536 16.502) 19.059 3.796 ( 0.000 -6.239 3.013) 6.929 3.932 ( 0.000 1.787 13.854) 13.969 3.988 ( 0.000 -2.818 -1.217) 3.069 4.114 ( 0.000 13.737 14.072) 19.665 4.261 ( 0.000 1.605 9.473) 9.608 4.437 ( 0.000 -5.320 -8.525) 10.049 4.470 ( 0.000 6.214 -0.575) 6.240 4.721 ( 0.000 -5.724 10.017) 11.537 4.884 ( 0.000 -5.761 -6.064) 8.364 5.490 ( 0.000 2.128 -12.844) 13.019 5.576 ( 0.000 -0.672 -5.120) 5.164 5.833 ( 0.000 2.390 -23.390) 23.512 5.985 ( 0.000 2.441 -17.186) 17.358 6.046 ( 0.000 9.317 4.232) 10.233 6.159 ( 0.000 0.758 1.269) 1.478 6.335 ( 0.000 -0.845 3.229) 3.338 6.620 ( 0.000 -15.378 -2.184) 15.532 6.960 ( 0.000 3.096 -2.371) 3.899 7.098 ( 0.000 -2.711 -6.873) 7.388 7.801 ( 0.000 11.028 13.166) 17.174 8.105 ( 0.000 -0.573 6.559) 6.584 9.125 ( 0.000 -3.984 10.788) 11.500 9.292 ( 0.000 -9.160 2.800) 9.579 9.611 ( 0.000 7.345 -0.587) 7.369 9.772 ( 0.000 -1.715 -1.402) 2.215 10.065 ( 0.000 -5.049 -15.678) 16.471 10.096 ( 0.000 -3.886 -8.543) 9.385 10.577 ( 0.000 15.818 -1.007) 15.850 10.954 ( 0.000 -1.354 -11.418) 11.498 11.045 ( 0.000 8.697 -0.645) 8.721 11.280 ( 0.000 -0.435 -3.706) 3.732 12.832 ( 0.000 18.614 5.777) 19.489 13.128 ( 0.000 17.501 -3.342) 17.817 13.552 ( 0.000 -8.582 11.946) 14.709 13.600 ( 0.000 -2.978 9.775) 10.219 13.660 ( 0.000 -6.954 7.588) 10.293 13.743 ( 0.000 -5.076 4.519) 6.796 14.280 ( 0.000 5.947 -0.996) 6.030 14.311 ( 0.000 -2.329 0.716) 2.437 14.323 ( 0.000 -1.471 0.797) 1.673 14.504 ( 0.000 -4.353 -10.093) 10.991 14.986 ( 0.000 0.085 6.293) 6.294 14.991 ( 0.000 -0.024 2.399) 2.399 17.425 ( 0.000 -6.516 16.592) 17.826 17.461 ( 0.000 -9.738 15.039) 17.916 18.348 ( 0.000 -0.770 -12.849) 12.872 18.416 ( 0.000 -4.134 -12.836) 13.486 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 6.798 2.387 5.979) 9.363 1.804 ( 4.770 -1.405 14.738) 15.555 1.890 ( 2.914 2.849 0.970) 4.189 1.907 ( 4.069 -0.744 0.868) 4.226 2.152 ( 2.778 -0.719 6.195) 6.828 2.265 ( 3.059 1.118 -8.821) 9.403 2.585 ( -6.391 -2.182 -3.819) 7.758 2.666 ( -4.146 -6.738 2.448) 8.281 2.707 ( -0.048 5.136 -9.282) 10.608 2.919 ( 5.015 3.000 -12.271) 13.591 3.152 ( -2.074 -2.711 -10.725) 11.255 3.347 ( 4.119 -1.987 -9.234) 10.305 3.453 ( 2.996 9.731 14.013) 17.322 3.736 ( -7.084 2.977 7.969) 11.070 3.822 ( -9.089 1.431 1.977) 9.411 3.847 ( -3.204 -1.566 11.165) 11.721 4.110 ( -0.527 4.013 7.724) 8.720 4.379 ( -3.174 -0.767 -3.792) 5.004 4.461 ( 4.612 -0.136 -4.317) 6.319 4.549 ( 10.283 3.449 5.221) 12.037 4.733 ( 0.919 -2.964 4.993) 5.879 4.811 ( -3.827 -7.463 -5.002) 9.765 5.411 ( -5.103 3.554 -9.732) 11.549 5.580 ( -1.171 -4.255 -3.194) 5.448 5.792 ( -3.024 2.600 -13.596) 14.169 5.868 ( -4.232 4.927 -11.732) 13.410 6.101 ( -0.997 -1.580 -1.474) 2.380 6.200 ( -1.960 5.475 -1.568) 6.023 6.406 ( 12.351 1.760 3.955) 13.088 6.762 ( 9.151 -12.389 -5.692) 16.421 7.087 ( 11.651 4.360 -1.723) 12.558 7.269 ( 16.310 -3.448 -7.299) 18.199 7.756 ( -3.942 11.895 12.415) 17.640 8.104 ( -0.693 -1.621 5.724) 5.990 9.032 ( -8.390 -1.739 9.479) 12.778 9.263 ( -2.565 -9.375 2.020) 9.928 9.654 ( 3.442 6.668 0.201) 7.507 9.836 ( 6.544 -1.739 -2.569) 7.242 10.070 ( -0.307 -2.976 -9.447) 9.909 10.159 ( 6.016 -5.556 -12.409) 14.868 10.538 ( -3.426 15.976 -0.469) 16.346 10.902 ( -5.080 3.138 -7.695) 9.740 11.030 ( -1.269 3.422 -3.191) 4.848 11.228 ( -4.783 -1.750 -2.119) 5.517 12.859 ( 2.400 18.733 5.173) 19.582 13.120 ( -0.994 17.577 -3.319) 17.916 13.433 ( -6.879 -1.851 10.522) 12.706 13.550 ( -6.412 0.833 8.181) 10.427 13.682 ( 3.234 -12.330 5.732) 13.977 13.810 ( 3.254 -8.085 3.853) 9.529 14.216 ( -5.781 4.115 -2.796) 7.627 14.275 ( -3.693 -1.268 1.597) 4.218 14.325 ( -0.115 -1.974 -1.388) 2.416 14.437 ( -5.688 -4.492 -9.712) 12.118 14.847 ( -9.222 1.281 5.650) 10.891 14.936 ( -6.751 -2.317 2.634) 7.608 17.505 ( 7.185 -5.191 15.844) 18.155 17.580 ( 9.877 -9.690 12.781) 18.837 18.341 ( -0.682 -0.986 -11.442) 11.505 18.403 ( -1.303 -4.046 -11.484) 12.245 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -1.392 5.695 3.390) 6.773 1.895 ( 2.609 1.251 5.875) 6.549 1.985 ( 3.076 4.940 -6.245) 8.536 2.036 ( 8.807 1.134 6.012) 10.724 2.177 ( -3.060 5.099 11.255) 12.729 2.273 ( 3.478 -1.311 -0.835) 3.809 2.507 ( -1.622 -4.497 -3.062) 5.677 2.595 ( -2.444 -3.424 -3.883) 5.725 2.769 ( 5.332 -4.394 -2.802) 7.456 2.963 ( -0.357 -3.165 -8.299) 8.889 3.142 ( -0.973 2.158 -0.934) 2.545 3.359 ( -2.712 -7.898 -5.166) 9.820 3.484 ( -3.709 9.003 1.974) 9.935 3.622 ( 2.781 7.560 7.582) 11.063 3.680 ( -6.379 -1.127 2.147) 6.824 3.885 ( 4.583 7.668 6.351) 10.961 4.077 ( 1.201 -2.774 0.071) 3.024 4.341 ( -1.041 -2.747 -2.397) 3.792 4.382 ( -9.297 2.423 -9.728) 13.673 4.684 ( 0.606 -3.312 -9.977) 10.530 4.831 ( 12.576 1.547 4.485) 13.441 4.901 ( 7.718 -4.295 5.236) 10.268 5.320 ( -3.296 3.188 -5.420) 7.099 5.542 ( -1.198 -6.408 0.429) 6.533 5.732 ( -5.016 2.096 -14.997) 15.952 5.783 ( -2.242 3.854 1.247) 4.630 6.057 ( -3.398 -1.502 0.843) 3.810 6.110 ( -5.557 3.637 2.518) 7.103 6.725 ( 16.197 4.283 2.824) 16.990 6.936 ( 8.222 -6.521 -2.427) 10.771 7.394 ( 15.063 7.725 -1.810) 17.025 7.631 ( 1.177 6.451 10.423) 12.315 7.745 ( 19.406 -2.100 -11.146) 22.477 8.042 ( -5.906 -3.819 5.062) 8.665 8.803 ( -12.894 3.627 5.381) 14.435 9.179 ( -5.988 -10.989 -1.394) 12.592 9.760 ( 7.102 7.502 0.273) 10.334 10.024 ( 9.782 -0.087 -4.417) 10.733 10.068 ( 1.102 -1.113 -3.705) 4.022 10.304 ( 7.159 -7.178 -11.024) 14.977 10.452 ( -4.383 15.565 1.237) 16.218 10.758 ( -7.877 5.859 -2.626) 10.162 10.981 ( -4.048 -0.404 -4.863) 6.340 11.096 ( -7.210 -5.143 1.017) 8.915 12.920 ( 3.107 19.142 3.467) 19.700 13.077 ( -2.976 17.044 -2.680) 17.508 13.317 ( -3.496 2.292 5.673) 7.047 13.439 ( -3.460 3.762 2.930) 5.892 13.716 ( -0.575 -12.739 0.510) 12.762 13.852 ( 0.837 -9.768 2.157) 10.039 14.022 ( -12.475 2.403 -6.681) 14.354 14.161 ( -7.134 -5.063 -5.888) 10.544 14.311 ( -1.613 -1.976 -3.093) 4.009 14.339 ( -1.176 -3.182 -1.263) 3.620 14.666 ( -7.506 0.201 5.395) 9.246 14.764 ( -8.515 -3.512 1.587) 9.347 17.694 ( 10.155 -3.185 13.263) 17.006 17.803 ( 10.314 -8.494 8.799) 15.998 18.313 ( -2.177 -1.475 -8.032) 8.452 18.357 ( -3.257 -3.738 -7.928) 9.351 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -1.831 13.808 2.629) 14.175 1.824 ( -7.219 17.616 -0.509) 19.044 2.033 ( 2.995 2.234 0.902) 3.844 2.121 ( -0.345 3.040 -3.062) 4.329 2.266 ( 7.598 -4.631 11.577) 14.602 2.402 ( 8.554 -0.234 3.620) 9.291 2.473 ( -2.458 -4.874 1.509) 5.663 2.583 ( 2.389 -7.504 1.826) 8.084 2.890 ( 4.602 -7.166 -0.857) 8.559 2.931 ( -2.175 -4.379 -4.362) 6.553 3.027 ( -7.170 1.475 4.170) 8.425 3.269 ( -7.913 -7.447 -1.924) 11.035 3.455 ( 2.797 3.902 -5.226) 7.097 3.572 ( -2.329 -1.220 -1.912) 3.251 3.677 ( 0.766 7.391 -6.431) 9.827 3.993 ( -1.439 5.114 -5.682) 7.779 4.059 ( -2.232 -2.427 -7.944) 8.601 4.245 ( 1.778 -0.877 -3.623) 4.130 4.410 ( 6.822 4.166 2.433) 8.355 4.698 ( -1.223 -4.132 -8.167) 9.234 5.049 ( 6.226 -1.713 2.998) 7.119 5.063 ( 8.372 2.772 3.253) 9.400 5.280 ( 0.001 0.328 -4.161) 4.174 5.531 ( -4.676 -6.670 -9.636) 12.618 5.623 ( 1.247 5.783 4.518) 7.444 5.783 ( 1.457 0.817 4.997) 5.269 5.951 ( -6.770 -0.786 3.300) 7.573 5.975 ( -7.117 3.267 5.550) 9.598 7.026 ( 11.325 5.086 4.803) 13.311 7.148 ( 12.273 -1.245 3.936) 12.949 7.450 ( -5.151 7.872 9.397) 13.297 7.778 ( 2.059 -0.416 7.259) 7.556 7.894 ( 2.381 2.909 -3.876) 5.399 8.233 ( 22.603 -8.013 -13.404) 27.473 8.516 ( -14.072 8.395 -0.842) 16.407 8.993 ( -12.086 -11.558 -6.735) 18.029 9.945 ( 9.991 8.900 -0.928) 13.412 10.085 ( 2.067 7.332 -2.537) 8.030 10.231 ( 5.462 -0.965 -1.868) 5.852 10.375 ( -1.059 1.524 -1.819) 2.599 10.413 ( 1.124 6.985 -2.426) 7.479 10.646 ( 0.563 -1.280 1.881) 2.344 10.833 ( -9.608 -0.063 -2.135) 9.843 10.954 ( -6.737 -8.020 0.236) 10.477 12.976 ( 2.123 19.386 0.123) 19.503 13.025 ( -1.438 16.589 -2.661) 16.863 13.303 ( 2.430 2.218 -2.409) 4.077 13.418 ( 1.386 4.579 -1.994) 5.183 13.620 ( -8.507 -3.743 -8.329) 12.480 13.730 ( -13.302 1.285 -8.550) 15.865 13.882 ( 1.854 -13.598 1.108) 13.768 14.024 ( -5.077 -14.060 -4.310) 15.558 14.306 ( 1.620 0.298 0.026) 1.648 14.361 ( 2.097 -2.032 -1.106) 3.122 14.532 ( -5.314 -1.326 4.299) 6.962 14.606 ( -6.470 -4.022 0.978) 7.680 17.909 ( 10.152 -2.381 8.668) 13.559 17.993 ( 7.925 -6.121 4.746) 11.082 18.247 ( -4.243 -2.308 -3.815) 6.155 18.262 ( -5.909 -3.218 -3.001) 7.367 ======================= Grid point 211 (75/100) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -2.882 19.304 1.489) 19.575 1.710 ( 2.882 19.304 1.489) 19.575 2.090 ( -2.252 4.082 -1.890) 5.031 2.090 ( 2.252 4.082 -1.890) 5.031 2.380 ( -4.385 -3.525 6.159) 8.341 2.380 ( 4.385 -3.525 6.159) 8.341 2.603 ( -4.940 -9.158 6.816) 12.439 2.603 ( 4.940 -9.158 6.816) 12.439 2.869 ( -1.522 -1.565 0.232) 2.196 2.869 ( 1.522 -1.565 0.232) 2.196 3.085 ( -8.391 -5.978 -1.045) 10.355 3.085 ( 8.391 -5.978 -1.045) 10.355 3.530 ( -2.864 4.046 -6.928) 8.519 3.530 ( 2.864 4.046 -6.928) 8.519 3.766 ( -9.236 -2.933 -13.574) 16.678 3.766 ( 9.236 -2.933 -13.574) 16.678 4.201 ( -6.106 5.201 -2.666) 8.453 4.201 ( 6.106 5.201 -2.666) 8.453 4.595 ( -8.312 -2.380 -1.456) 8.768 4.595 ( 8.312 -2.380 -1.456) 8.768 5.134 ( -1.399 2.914 3.451) 4.728 5.134 ( 1.399 2.914 3.451) 4.728 5.368 ( -7.874 -2.105 -8.026) 11.439 5.368 ( 7.874 -2.105 -8.026) 11.439 5.771 ( -9.340 1.464 6.644) 11.555 5.771 ( 9.340 1.464 6.644) 11.555 5.848 ( -4.621 0.802 6.260) 7.822 5.848 ( 4.621 0.802 6.260) 7.822 7.217 ( -7.007 8.268 6.853) 12.823 7.217 ( 7.007 8.268 6.853) 12.823 7.536 ( -13.877 -6.132 9.007) 17.644 7.536 ( 13.877 -6.132 9.007) 17.644 8.193 ( -15.740 10.668 -5.520) 19.799 8.193 ( 15.740 10.668 -5.520) 19.799 8.675 ( -18.174 -10.629 -11.102) 23.802 8.675 ( 18.174 -10.629 -11.102) 23.802 10.111 ( -2.816 12.352 -1.894) 12.810 10.111 ( 2.816 12.352 -1.894) 12.810 10.264 ( -4.986 1.468 -1.475) 5.403 10.264 ( 4.986 1.468 -1.475) 5.403 10.580 ( -11.184 0.997 3.298) 11.702 10.580 ( 11.184 0.997 3.298) 11.702 10.797 ( -7.818 -7.563 -1.684) 11.007 10.797 ( 7.818 -7.563 -1.684) 11.007 13.007 ( -0.900 18.123 -2.515) 18.319 13.007 ( 0.900 18.123 -2.515) 18.319 13.423 ( -8.573 0.232 -8.307) 11.940 13.423 ( 8.573 0.232 -8.307) 11.940 13.506 ( -7.280 3.263 -7.023) 10.629 13.506 ( 7.280 3.263 -7.023) 10.629 13.940 ( -3.370 -16.325 -0.319) 16.672 13.940 ( 3.370 -16.325 -0.319) 16.672 14.364 ( -2.876 1.155 -0.490) 3.138 14.364 ( 2.876 1.155 -0.490) 3.138 14.498 ( -3.195 -4.462 2.032) 5.852 14.498 ( 3.195 -4.462 2.032) 5.852 18.104 ( -7.360 -2.537 2.784) 8.267 18.104 ( 7.360 -2.537 2.784) 8.267 18.143 ( -4.858 -3.913 0.557) 6.263 18.143 ( 4.858 -3.913 0.557) 6.263 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.000 -4.225 7.706) 8.788 1.687 ( 0.000 4.225 7.706) 8.788 1.837 ( 0.000 -0.668 4.926) 4.971 1.837 ( 0.000 0.668 4.926) 4.971 2.163 ( 0.000 -3.274 6.552) 7.325 2.163 ( 0.000 3.274 6.552) 7.325 2.642 ( 0.000 -2.878 -4.166) 5.064 2.642 ( 0.000 2.878 -4.166) 5.064 2.912 ( 0.000 -5.653 -20.569) 21.332 2.912 ( 0.000 5.653 -20.569) 21.332 3.118 ( 0.000 -8.292 -9.468) 12.585 3.118 ( 0.000 8.292 -9.468) 12.585 3.670 ( 0.000 -10.565 7.891) 13.187 3.670 ( 0.000 10.565 7.891) 13.187 3.972 ( 0.000 -0.107 5.308) 5.309 3.972 ( 0.000 0.107 5.308) 5.309 4.280 ( 0.000 -0.285 4.446) 4.455 4.280 ( 0.000 0.285 4.446) 4.455 4.436 ( 0.000 -8.345 11.648) 14.329 4.436 ( 0.000 8.345 11.648) 14.329 4.741 ( 0.000 -7.324 -1.890) 7.564 4.741 ( 0.000 7.324 -1.890) 7.564 5.531 ( 0.000 -2.179 -11.131) 11.342 5.531 ( 0.000 2.179 -11.131) 11.342 5.908 ( 0.000 -5.142 -18.652) 19.348 5.908 ( 0.000 5.142 -18.652) 19.348 6.266 ( 0.000 -4.341 1.458) 4.580 6.266 ( 0.000 4.341 1.458) 4.580 6.313 ( 0.000 -13.982 0.448) 13.989 6.313 ( 0.000 13.982 0.448) 13.989 7.031 ( 0.000 -3.767 -4.454) 5.833 7.031 ( 0.000 3.767 -4.454) 5.833 8.009 ( 0.000 -8.680 13.348) 15.922 8.009 ( 0.000 8.680 13.348) 15.922 9.137 ( 0.000 -5.168 4.341) 6.749 9.137 ( 0.000 5.168 4.341) 6.749 9.733 ( 0.000 -3.625 -2.150) 4.214 9.733 ( 0.000 3.625 -2.150) 4.214 10.021 ( 0.000 -1.556 -13.652) 13.741 10.021 ( 0.000 1.556 -13.652) 13.741 10.851 ( 0.000 -9.886 -4.956) 11.059 10.851 ( 0.000 9.886 -4.956) 11.059 11.200 ( 0.000 -6.572 0.066) 6.573 11.200 ( 0.000 6.572 0.066) 6.573 13.207 ( 0.000 -16.641 3.283) 16.962 13.207 ( 0.000 16.641 3.283) 16.962 13.480 ( 0.000 -9.935 4.565) 10.934 13.480 ( 0.000 9.935 4.565) 10.934 13.643 ( 0.000 -2.642 10.415) 10.745 13.643 ( 0.000 2.642 10.415) 10.745 14.294 ( 0.000 -0.718 -0.381) 0.813 14.294 ( 0.000 0.718 -0.381) 0.813 14.400 ( 0.000 -5.863 -5.439) 7.997 14.400 ( 0.000 5.863 -5.439) 7.997 14.989 ( 0.000 -0.193 4.223) 4.227 14.989 ( 0.000 0.193 4.223) 4.227 17.354 ( 0.000 -0.515 16.703) 16.711 17.354 ( 0.000 0.515 16.703) 16.711 18.355 ( 0.000 -1.737 -13.279) 13.392 18.355 ( 0.000 1.737 -13.279) 13.392 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 4.800 -2.945 8.412) 10.123 1.751 ( 4.800 2.945 8.412) 10.123 1.893 ( 4.968 -0.707 4.203) 6.546 1.893 ( 4.968 0.707 4.203) 6.546 2.244 ( 6.959 -6.689 4.337) 10.583 2.244 ( 6.959 6.689 4.337) 10.583 2.548 ( -7.758 -4.650 -1.608) 9.187 2.548 ( -7.758 4.650 -1.608) 9.187 2.882 ( -2.163 -8.829 -17.471) 19.694 2.882 ( -2.163 8.829 -17.471) 19.694 3.168 ( 3.090 -8.745 -9.683) 13.409 3.168 ( 3.090 8.745 -9.683) 13.409 3.705 ( 4.265 -10.327 7.017) 13.194 3.705 ( 4.265 10.327 7.017) 13.194 3.838 ( -10.133 -2.257 8.048) 13.136 3.838 ( -10.133 2.257 8.048) 13.136 4.250 ( -3.273 -8.528 -0.119) 9.135 4.250 ( -3.273 8.528 -0.119) 9.135 4.553 ( 6.907 -5.485 8.357) 12.150 4.553 ( 6.907 5.485 8.357) 12.150 4.702 ( -0.851 -2.244 -2.499) 3.465 4.702 ( -0.851 2.244 -2.499) 3.465 5.486 ( -3.640 -4.243 -7.847) 9.634 5.486 ( -3.640 4.243 -7.847) 9.634 5.855 ( -3.751 -3.766 -15.260) 16.160 5.855 ( -3.751 3.766 -15.260) 16.160 6.185 ( -3.236 -6.428 4.770) 8.634 6.185 ( -3.236 6.428 4.770) 8.634 6.530 ( 13.429 -10.191 -4.192) 17.371 6.530 ( 13.429 10.191 -4.192) 17.371 7.183 ( 14.000 -4.900 -4.394) 15.470 7.183 ( 14.000 4.900 -4.394) 15.470 7.984 ( -2.722 -9.864 12.719) 16.324 7.984 ( -2.722 9.864 12.719) 16.324 9.089 ( -4.459 -6.942 3.128) 8.824 9.089 ( -4.459 6.942 3.128) 8.824 9.780 ( 4.507 -4.888 -1.904) 6.916 9.780 ( 4.507 4.888 -1.904) 6.916 10.058 ( 3.352 -2.995 -12.849) 13.612 10.058 ( 3.352 2.995 -12.849) 13.612 10.824 ( -2.556 -10.553 -4.606) 11.795 10.824 ( -2.556 10.553 -4.606) 11.795 11.138 ( -5.572 -6.105 1.163) 8.347 11.138 ( -5.572 6.105 1.163) 8.347 13.227 ( 1.784 -14.944 3.367) 15.422 13.227 ( 1.784 14.944 3.367) 15.422 13.451 ( -2.650 -8.216 4.113) 9.562 13.451 ( -2.650 8.216 4.113) 9.562 13.634 ( -0.744 -6.868 7.471) 10.175 13.634 ( -0.744 6.868 7.471) 10.175 14.260 ( -4.171 -0.639 -0.985) 4.333 14.260 ( -4.171 0.639 -0.985) 4.333 14.344 ( -4.161 -4.200 -6.188) 8.558 14.344 ( -4.161 4.200 -6.188) 8.558 14.886 ( -8.532 -2.458 4.004) 9.740 14.886 ( -8.532 2.458 4.004) 9.740 17.461 ( 9.201 -1.662 15.314) 17.943 17.461 ( 9.201 1.662 15.314) 17.943 18.345 ( -1.042 -1.557 -11.862) 12.009 18.345 ( -1.042 1.557 -11.862) 12.009 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 4.320 -4.008 8.148) 10.056 1.847 ( 4.320 4.008 8.148) 10.056 2.024 ( 7.008 -1.685 3.137) 7.861 2.024 ( 7.008 1.685 3.137) 7.861 2.356 ( -5.015 -9.431 -4.676) 11.660 2.356 ( -5.015 9.431 -4.676) 11.660 2.410 ( 3.078 -11.914 8.455) 14.930 2.410 ( 3.078 11.914 8.455) 14.930 2.839 ( -1.727 -7.565 -10.992) 13.455 2.839 ( -1.727 7.565 -10.992) 13.455 3.206 ( -0.142 -5.572 -6.430) 8.509 3.206 ( -0.142 5.572 -6.430) 8.509 3.606 ( -9.410 -4.337 4.912) 11.466 3.606 ( -9.410 4.337 4.912) 11.466 3.869 ( 8.891 -10.347 4.154) 14.261 3.869 ( 8.891 10.347 4.154) 14.261 4.151 ( -5.701 -9.645 -4.097) 11.929 4.151 ( -5.701 9.645 -4.097) 11.929 4.562 ( -1.296 -8.579 -6.776) 11.009 4.562 ( -1.296 8.579 -6.776) 11.009 4.851 ( 10.705 -1.147 4.892) 11.825 4.851 ( 10.705 1.147 4.892) 11.825 5.412 ( -2.919 -5.957 -4.325) 7.918 5.412 ( -2.919 5.957 -4.325) 7.918 5.776 ( -3.480 -2.465 -7.419) 8.557 5.776 ( -3.480 2.465 -7.419) 8.557 6.109 ( -4.518 -3.573 5.985) 8.306 6.109 ( -4.518 3.573 5.985) 8.306 6.815 ( 13.645 -5.242 -1.157) 14.663 6.815 ( 13.645 5.242 -1.157) 14.663 7.558 ( 19.464 -7.978 -4.761) 21.567 7.558 ( 19.464 7.978 -4.761) 21.567 7.889 ( -5.712 -10.196 9.628) 15.142 7.889 ( -5.712 10.196 9.628) 15.142 8.956 ( -8.232 -10.570 -0.630) 13.412 8.956 ( -8.232 10.570 -0.630) 13.412 9.916 ( 8.150 -7.631 -1.560) 11.273 9.916 ( 8.150 7.631 -1.560) 11.273 10.153 ( 5.582 -6.925 -9.801) 13.235 10.153 ( 5.582 6.925 -9.801) 13.235 10.743 ( -5.244 -10.446 -3.491) 12.199 10.743 ( -5.244 10.446 -3.491) 12.199 10.990 ( -7.972 -3.765 2.877) 9.274 10.990 ( -7.972 3.765 2.877) 9.274 13.264 ( 1.040 -7.049 2.904) 7.695 13.264 ( 1.040 7.049 2.904) 7.695 13.394 ( -1.691 -11.690 0.775) 11.837 13.394 ( -1.691 11.690 0.775) 11.837 13.613 ( -1.245 -12.030 3.002) 12.461 13.613 ( -1.245 12.030 3.002) 12.461 14.077 ( -12.361 -3.260 -8.451) 15.325 14.077 ( -12.361 3.260 -8.451) 15.325 14.297 ( -0.361 -0.784 -1.585) 1.805 14.297 ( -0.361 0.784 -1.585) 1.805 14.697 ( -8.581 -2.795 3.283) 9.603 14.697 ( -8.581 2.795 3.283) 9.603 17.684 ( 11.141 -2.773 11.937) 16.562 17.684 ( 11.141 2.773 11.937) 16.562 18.307 ( -2.763 -1.088 -8.254) 8.772 18.307 ( -2.763 1.088 -8.254) 8.772 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 4.804 -9.018 6.644) 12.188 1.941 ( 4.804 9.018 6.644) 12.188 2.125 ( -0.523 -6.332 2.653) 6.886 2.125 ( -0.523 6.332 2.653) 6.886 2.268 ( 1.896 -10.997 4.126) 11.897 2.268 ( 1.896 10.997 4.126) 11.897 2.473 ( -0.316 -5.656 1.822) 5.951 2.473 ( -0.316 5.656 1.822) 5.951 2.831 ( 2.176 -2.827 -3.632) 5.091 2.831 ( 2.176 2.827 -3.632) 5.091 3.120 ( -7.570 -6.630 -0.058) 10.063 3.120 ( -7.570 6.630 -0.058) 10.063 3.525 ( 1.865 -3.176 -6.350) 7.341 3.525 ( 1.865 3.176 -6.350) 7.341 3.854 ( -9.929 -9.784 -9.347) 16.783 3.854 ( -9.929 9.784 -9.347) 16.783 4.207 ( 10.720 -7.782 0.272) 13.250 4.207 ( 10.720 7.782 0.272) 13.250 4.539 ( -2.425 -9.463 -4.895) 10.926 4.539 ( -2.425 9.463 -4.895) 10.926 5.069 ( 9.961 -2.688 0.433) 10.326 5.069 ( 9.961 2.688 0.433) 10.326 5.361 ( -2.878 -8.172 -4.910) 9.958 5.361 ( -2.878 8.172 -4.910) 9.958 5.736 ( 0.735 -4.385 3.142) 5.444 5.736 ( 0.735 4.385 3.142) 5.444 5.986 ( -7.210 -2.033 7.301) 10.461 5.986 ( -7.210 2.033 7.301) 10.461 7.101 ( 13.800 -3.003 4.622) 14.861 7.101 ( 13.800 3.003 4.622) 14.861 7.644 ( -10.315 -9.969 12.004) 18.705 7.644 ( -10.315 9.969 12.004) 18.705 8.047 ( 19.419 -9.698 -10.355) 24.049 8.047 ( 19.419 9.698 -10.355) 24.049 8.742 ( -12.448 -12.914 -5.535) 18.771 8.742 ( -12.448 12.914 -5.535) 18.771 10.099 ( 8.951 -6.045 -1.981) 10.981 10.099 ( 8.951 6.045 -1.981) 10.981 10.282 ( 5.606 -6.689 -5.188) 10.153 10.282 ( 5.606 6.689 -5.188) 10.153 10.620 ( -5.143 -6.972 -1.258) 8.755 10.620 ( -5.143 6.972 -1.258) 8.755 10.819 ( -8.449 -1.559 2.858) 9.055 10.819 ( -8.449 1.559 2.858) 9.055 13.275 ( 1.322 -4.580 -2.192) 5.246 13.275 ( 1.322 4.580 -2.192) 5.246 13.391 ( 0.026 -17.694 -1.321) 17.744 13.391 ( 0.026 17.694 -1.321) 17.744 13.588 ( -0.641 -12.927 -0.287) 12.946 13.588 ( -0.641 12.927 -0.287) 12.946 13.807 ( -11.973 -5.242 -10.066) 16.497 13.807 ( -11.973 5.242 -10.066) 16.497 14.324 ( 2.915 -1.475 0.049) 3.267 14.324 ( 2.915 1.475 0.049) 3.267 14.539 ( -6.728 -2.192 1.984) 7.349 14.539 ( -6.728 2.192 1.984) 7.349 17.904 ( 9.770 -2.237 7.266) 12.379 17.904 ( 9.770 2.237 7.266) 12.379 18.224 ( -5.236 -0.354 -3.475) 6.294 18.224 ( -5.236 0.354 -3.475) 6.294 ======================= Grid point 224 (80/100) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -4.646 -11.992 5.169) 13.860 2.045 ( 4.301 -11.960 5.169) 13.720 2.045 ( -4.301 11.960 5.169) 13.720 2.045 ( 4.646 11.992 5.169) 13.860 2.387 ( -6.171 -7.938 3.290) 10.579 2.387 ( 4.690 -7.680 3.290) 9.582 2.387 ( -4.690 7.680 3.290) 9.582 2.387 ( 6.171 7.938 3.290) 10.579 2.948 ( -7.827 -6.851 -0.247) 10.405 2.948 ( 6.116 -6.401 -0.247) 8.856 2.948 ( -6.116 6.401 -0.247) 8.856 2.948 ( 7.827 6.851 -0.247) 10.405 3.642 ( -7.266 -6.469 -11.841) 15.325 3.642 ( -0.391 -5.356 -11.841) 13.002 3.642 ( 0.391 5.356 -11.841) 13.002 3.642 ( 7.266 6.469 -11.841) 15.325 4.424 ( -6.961 -12.586 -1.493) 14.460 4.424 ( 3.608 -12.229 -1.493) 12.837 4.424 ( -3.608 12.229 -1.493) 12.837 4.424 ( 6.961 12.586 -1.493) 14.460 5.255 ( -6.581 -7.616 -3.897) 10.793 5.255 ( 3.253 -7.058 -3.897) 8.694 5.255 ( -3.253 7.058 -3.897) 8.694 5.255 ( 6.581 7.616 -3.897) 10.793 5.827 ( -7.118 -2.784 8.005) 11.068 5.827 ( -5.777 1.851 8.005) 10.044 5.827 ( 5.777 -1.851 8.005) 10.044 5.827 ( 7.118 2.784 8.005) 11.068 7.387 ( -12.615 -8.057 9.194) 17.567 7.387 ( 0.452 -5.018 9.194) 10.484 7.387 ( -0.452 5.018 9.194) 10.484 7.387 ( 12.615 8.057 9.194) 17.567 8.435 ( -16.829 -12.776 -9.221) 23.054 8.435 ( 15.728 -12.420 -9.221) 22.060 8.435 ( -15.728 12.420 -9.221) 22.060 8.435 ( 16.829 12.776 -9.221) 23.054 10.272 ( -6.522 -2.873 -2.831) 7.668 10.272 ( -3.198 0.418 -2.831) 4.292 10.272 ( 3.198 -0.418 -2.831) 4.292 10.272 ( 6.522 2.873 -2.831) 7.669 10.644 ( -6.321 -6.288 1.382) 9.023 10.644 ( 1.512 -5.488 1.382) 5.858 10.644 ( -1.512 5.488 1.382) 5.858 10.644 ( 6.321 6.288 1.382) 9.023 13.342 ( -3.881 -11.208 -4.611) 12.726 13.342 ( 3.479 -11.175 -4.611) 12.579 13.342 ( -3.479 11.175 -4.611) 12.579 13.342 ( 3.881 11.208 -4.611) 12.726 13.626 ( -3.824 -11.318 -4.564) 12.789 13.626 ( 2.613 -11.232 -4.564) 12.402 13.626 ( -2.613 11.232 -4.564) 12.402 13.626 ( 3.824 11.318 -4.564) 12.789 14.412 ( -4.399 -3.347 0.839) 5.591 14.412 ( -1.220 -2.596 0.839) 2.988 14.412 ( 1.220 2.596 0.839) 2.988 14.412 ( 4.399 3.347 0.839) 5.591 18.088 ( -7.654 -0.979 1.880) 7.942 18.088 ( -7.553 0.759 1.880) 7.820 18.088 ( 7.553 -0.759 1.880) 7.820 18.088 ( 7.654 0.979 1.880) 7.942 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.000 0.000 1.352) 1.352 1.692 ( 0.000 0.000 -7.046) 7.046 1.809 ( 0.000 0.000 14.317) 14.317 2.054 ( 0.000 0.000 -12.175) 12.175 2.199 ( 0.000 0.000 0.043) 0.043 2.219 ( 0.000 0.000 15.045) 15.045 2.285 ( 0.000 0.000 -7.445) 7.445 2.516 ( 0.000 0.000 -14.597) 14.597 2.892 ( 0.000 0.000 11.087) 11.087 2.944 ( 0.000 0.000 1.627) 1.627 2.985 ( 0.000 0.000 -2.682) 2.682 3.064 ( 0.000 0.000 -5.893) 5.893 3.889 ( 0.000 0.000 9.610) 9.610 3.929 ( 0.000 0.000 17.350) 17.350 4.028 ( 0.000 0.000 -3.586) 3.586 4.116 ( 0.000 0.000 -6.177) 6.177 4.140 ( 0.000 0.000 1.235) 1.235 4.273 ( 0.000 0.000 -7.052) 7.052 4.406 ( 0.000 0.000 20.698) 20.698 4.459 ( 0.000 0.000 12.291) 12.291 4.702 ( 0.000 0.000 -11.155) 11.155 5.001 ( 0.000 0.000 -16.986) 16.986 5.192 ( 0.000 0.000 -9.683) 9.683 5.328 ( 0.000 0.000 -9.928) 9.928 5.355 ( 0.000 0.000 2.346) 2.346 5.435 ( 0.000 0.000 -6.231) 6.231 6.189 ( 0.000 0.000 1.247) 1.247 6.231 ( 0.000 0.000 -3.166) 3.166 6.549 ( 0.000 0.000 17.632) 17.632 6.861 ( 0.000 0.000 -14.888) 14.888 6.918 ( 0.000 0.000 1.983) 1.983 6.972 ( 0.000 0.000 -3.549) 3.549 7.698 ( 0.000 0.000 9.128) 9.128 7.871 ( 0.000 0.000 -8.680) 8.680 9.596 ( 0.000 0.000 9.987) 9.987 9.614 ( 0.000 0.000 9.778) 9.778 9.630 ( 0.000 0.000 2.825) 2.825 9.812 ( 0.000 0.000 -9.948) 9.948 9.970 ( 0.000 0.000 -6.558) 6.558 10.031 ( 0.000 0.000 -8.387) 8.387 10.323 ( 0.000 0.000 19.896) 19.896 10.713 ( 0.000 0.000 -19.668) 19.668 10.743 ( 0.000 0.000 1.634) 1.634 10.837 ( 0.000 0.000 -7.465) 7.465 12.526 ( 0.000 0.000 4.774) 4.774 12.599 ( 0.000 0.000 -2.956) 2.956 13.872 ( 0.000 0.000 11.341) 11.341 13.913 ( 0.000 0.000 5.856) 5.856 13.936 ( 0.000 0.000 15.975) 15.975 14.030 ( 0.000 0.000 -3.423) 3.423 14.061 ( 0.000 0.000 -6.913) 6.913 14.282 ( 0.000 0.000 -17.049) 17.049 14.375 ( 0.000 0.000 2.886) 2.886 14.416 ( 0.000 0.000 -0.991) 0.991 15.061 ( 0.000 0.000 4.216) 4.216 15.090 ( 0.000 0.000 1.793) 1.793 17.957 ( 0.000 0.000 9.229) 9.229 17.959 ( 0.000 0.000 17.539) 17.539 18.160 ( 0.000 0.000 -11.581) 11.581 18.279 ( 0.000 0.000 -15.401) 15.401 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -7.164 0.000 -0.648) 7.193 1.603 ( -8.473 0.000 -6.942) 10.954 1.927 ( 9.238 0.000 12.560) 15.591 2.112 ( 2.085 0.000 -6.957) 7.262 2.232 ( 3.275 0.000 -2.291) 3.997 2.299 ( 7.044 0.000 14.761) 16.355 2.306 ( 4.111 0.000 -7.452) 8.510 2.581 ( 5.976 0.000 -13.385) 14.659 2.854 ( -3.100 0.000 9.287) 9.791 2.977 ( 2.630 0.000 1.832) 3.205 3.000 ( -5.214 0.000 -5.637) 7.679 3.025 ( 3.590 0.000 -3.073) 4.725 3.754 ( -10.054 0.000 12.469) 16.017 3.820 ( -4.829 0.000 18.977) 19.581 3.971 ( -5.751 0.000 -9.332) 10.962 4.025 ( -8.151 0.000 -3.320) 8.801 4.160 ( -2.651 0.000 0.452) 2.689 4.283 ( -0.442 0.000 -13.222) 13.229 4.490 ( 1.859 0.000 11.610) 11.758 4.521 ( 12.598 0.000 23.542) 26.701 4.691 ( -0.848 0.000 -8.568) 8.610 5.090 ( 8.015 0.000 -13.837) 15.991 5.195 ( -0.810 0.000 -11.749) 11.777 5.333 ( 0.569 0.000 -9.472) 9.489 5.368 ( 1.143 0.000 3.033) 3.242 5.454 ( 1.593 0.000 -5.895) 6.107 6.136 ( -3.807 0.000 2.689) 4.661 6.203 ( -2.571 0.000 -4.172) 4.900 6.625 ( 6.735 0.000 15.909) 17.275 6.906 ( 4.003 0.000 -13.382) 13.968 7.047 ( 11.302 0.000 4.230) 12.068 7.154 ( 15.915 0.000 -6.979) 17.378 7.644 ( -4.245 0.000 11.334) 12.103 7.856 ( -1.561 0.000 -10.453) 10.569 9.471 ( -11.418 0.000 11.440) 16.163 9.583 ( -5.629 0.000 -1.362) 5.791 9.634 ( 1.802 0.000 8.538) 8.726 9.812 ( 0.059 0.000 -9.462) 9.463 10.005 ( 3.875 0.000 -1.972) 4.348 10.099 ( 5.950 0.000 -10.876) 12.397 10.313 ( -0.655 0.000 20.293) 20.304 10.700 ( -1.133 0.000 -19.180) 19.214 10.744 ( 0.309 0.000 4.377) 4.388 10.873 ( 3.148 0.000 -8.552) 9.113 12.538 ( 0.855 0.000 4.308) 4.392 12.603 ( 0.271 0.000 -2.687) 2.701 13.699 ( -11.766 0.000 11.699) 16.592 13.747 ( -10.553 0.000 13.407) 17.062 13.911 ( -9.437 0.000 -9.619) 13.475 13.987 ( -7.500 0.000 -10.564) 12.955 14.097 ( 6.168 0.000 9.349) 11.200 14.299 ( 1.180 0.000 -11.644) 11.704 14.372 ( -0.490 0.000 2.873) 2.914 14.405 ( -1.188 0.000 -0.462) 1.275 14.964 ( -7.363 0.000 5.748) 9.341 15.021 ( -6.425 0.000 -0.027) 6.425 17.994 ( 3.158 0.000 16.384) 16.686 18.019 ( 5.057 0.000 7.482) 9.031 18.189 ( 2.326 0.000 -9.908) 10.178 18.290 ( 0.870 0.000 -14.094) 14.121 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -14.681 0.000 -4.243) 15.282 1.349 ( -15.257 0.000 -7.444) 16.976 2.047 ( -1.259 0.000 1.903) 2.282 2.076 ( -3.709 0.000 -0.323) 3.723 2.323 ( 7.365 0.000 6.761) 9.998 2.483 ( 9.924 0.000 14.584) 17.640 2.510 ( 12.268 0.000 -9.638) 15.601 2.744 ( 9.020 0.000 -11.254) 14.423 2.786 ( -3.261 0.000 6.348) 7.136 2.905 ( -2.720 0.000 -6.305) 6.866 3.014 ( 0.069 0.000 3.795) 3.796 3.108 ( 3.297 0.000 -5.631) 6.525 3.566 ( -6.372 0.000 12.334) 13.883 3.768 ( -1.922 0.000 7.773) 8.008 3.819 ( -7.953 0.000 -13.401) 15.583 3.819 ( -10.223 0.000 0.762) 10.252 4.090 ( -0.262 0.000 14.279) 14.282 4.332 ( 5.310 0.000 -13.011) 14.053 4.517 ( 1.120 0.000 10.060) 10.122 4.671 ( -1.082 0.000 -5.858) 5.957 4.790 ( 10.348 0.000 11.513) 15.480 5.108 ( -7.810 0.000 -7.050) 10.521 5.306 ( 11.693 0.000 -11.723) 16.558 5.371 ( 3.887 0.000 -7.978) 8.875 5.399 ( 1.737 0.000 4.169) 4.516 5.485 ( 1.059 0.000 -4.641) 4.760 6.054 ( -4.123 0.000 4.060) 5.787 6.137 ( -3.779 0.000 -4.335) 5.751 6.797 ( 8.916 0.000 11.923) 14.888 7.003 ( 4.620 0.000 -9.449) 10.518 7.334 ( 14.178 0.000 9.873) 17.277 7.533 ( 10.805 0.000 -3.843) 11.468 7.608 ( 10.296 0.000 1.703) 10.436 7.811 ( -1.761 0.000 -11.558) 11.692 9.149 ( -18.700 0.000 14.604) 23.727 9.377 ( -13.705 0.000 -8.872) 16.326 9.679 ( 2.177 0.000 5.880) 6.270 9.811 ( -0.352 0.000 -7.941) 7.949 10.120 ( 6.198 0.000 1.701) 6.427 10.240 ( 6.358 0.000 -10.960) 12.671 10.317 ( 1.710 0.000 19.487) 19.562 10.669 ( -1.770 0.000 -16.617) 16.711 10.772 ( 2.768 0.000 8.903) 9.324 10.950 ( 3.649 0.000 -9.282) 9.973 12.546 ( -0.497 0.000 3.141) 3.180 12.601 ( -0.651 0.000 -2.582) 2.663 13.466 ( -9.636 0.000 8.413) 12.792 13.497 ( -11.818 0.000 13.147) 17.678 13.667 ( -12.674 0.000 -12.048) 17.487 13.759 ( -13.393 0.000 -13.405) 18.950 14.204 ( 4.152 0.000 6.084) 7.366 14.321 ( 0.806 0.000 -6.115) 6.168 14.346 ( -1.740 0.000 2.730) 3.238 14.375 ( -1.325 0.000 -0.688) 1.493 14.810 ( -6.756 0.000 5.142) 8.491 14.865 ( -7.548 0.000 -0.572) 7.569 18.078 ( 4.595 0.000 12.963) 13.754 18.126 ( 4.441 0.000 4.462) 6.295 18.233 ( 1.531 0.000 -6.593) 6.769 18.305 ( 0.357 0.000 -10.456) 10.462 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -15.233 0.000 -7.207) 16.851 1.008 ( -15.681 0.000 -9.254) 18.208 1.945 ( -4.718 0.000 0.322) 4.729 1.987 ( -5.185 0.000 -4.060) 6.585 2.493 ( 7.589 0.000 13.033) 15.081 2.689 ( 9.194 0.000 13.573) 16.394 2.713 ( -3.626 0.000 8.391) 9.141 2.745 ( 9.174 0.000 -11.763) 14.918 2.889 ( 0.307 0.000 -9.775) 9.780 2.928 ( 6.301 0.000 -9.902) 11.737 2.974 ( -1.845 0.000 8.062) 8.270 3.137 ( -0.413 0.000 -8.607) 8.617 3.503 ( -0.324 0.000 5.467) 5.476 3.645 ( -5.492 0.000 4.303) 6.977 3.659 ( -7.150 0.000 -10.415) 12.633 3.688 ( -4.969 0.000 0.286) 4.977 4.224 ( 11.934 0.000 17.084) 20.839 4.492 ( 9.305 0.000 -10.376) 13.938 4.554 ( 2.442 0.000 6.289) 6.747 4.645 ( -1.424 0.000 -3.138) 3.447 4.850 ( -8.218 0.000 -2.013) 8.461 4.898 ( -8.165 0.000 -4.758) 9.451 5.436 ( 1.706 0.000 3.518) 3.910 5.490 ( -0.530 0.000 -2.035) 2.103 5.523 ( 10.885 0.000 -1.240) 10.956 5.559 ( 11.486 0.000 -4.009) 12.166 5.953 ( -5.695 0.000 4.425) 7.212 6.027 ( -7.163 0.000 -2.886) 7.722 6.967 ( 6.833 0.000 6.948) 9.745 7.075 ( 1.815 0.000 -4.206) 4.581 7.487 ( 3.000 0.000 7.234) 7.831 7.662 ( -2.440 0.000 -9.681) 9.984 7.820 ( 16.855 0.000 11.597) 20.460 8.101 ( 23.369 0.000 -15.796) 28.207 8.720 ( -21.707 0.000 16.974) 27.555 9.031 ( -18.966 0.000 -14.698) 23.995 9.718 ( 1.657 0.000 3.374) 3.758 9.791 ( -1.572 0.000 -4.225) 4.508 10.238 ( 4.833 0.000 2.683) 5.528 10.327 ( 1.669 0.000 -6.442) 6.654 10.398 ( 5.728 0.000 12.854) 14.073 10.621 ( -3.161 0.000 -9.643) 10.148 10.862 ( 5.428 0.000 7.339) 9.129 11.000 ( 0.645 0.000 -6.376) 6.408 12.518 ( -1.466 0.000 0.783) 1.662 12.569 ( -2.497 0.000 -3.820) 4.564 13.309 ( -5.232 0.000 6.668) 8.476 13.326 ( -3.535 0.000 2.744) 4.475 13.432 ( -8.822 0.000 -8.470) 12.230 13.480 ( -12.014 0.000 -10.609) 16.027 14.275 ( 2.648 0.000 2.999) 4.001 14.325 ( 0.024 0.000 1.955) 1.955 14.329 ( -0.059 0.000 -2.683) 2.684 14.354 ( -0.645 0.000 -1.320) 1.470 14.691 ( -4.328 0.000 3.704) 5.696 14.727 ( -5.477 0.000 -0.151) 5.479 18.174 ( 4.307 0.000 7.637) 8.768 18.195 ( 2.325 0.000 1.808) 2.945 18.246 ( -0.198 0.000 -3.464) 3.469 18.297 ( -1.262 0.000 -5.091) 5.245 ======================= Grid point 256 (85/100) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -0.644 0.000 -10.084) 10.105 0.807 ( 0.644 0.000 -10.084) 10.105 1.907 ( -1.420 0.000 -2.620) 2.981 1.907 ( 1.420 0.000 -2.620) 2.981 2.624 ( -5.024 0.000 11.217) 12.290 2.624 ( 5.024 0.000 11.217) 12.290 2.852 ( -6.401 0.000 9.965) 11.843 2.852 ( 6.401 0.000 9.965) 11.843 2.873 ( -2.876 0.000 -11.573) 11.925 2.873 ( 2.876 0.000 -11.573) 11.925 3.086 ( -4.879 0.000 -7.932) 9.312 3.086 ( 4.879 0.000 -7.932) 9.312 3.538 ( -3.866 0.000 -3.350) 5.115 3.538 ( 3.866 0.000 -3.350) 5.115 3.607 ( -1.731 0.000 3.644) 4.034 3.607 ( 1.731 0.000 3.644) 4.034 4.518 ( -13.951 0.000 8.584) 16.381 4.518 ( 13.951 0.000 8.584) 16.381 4.607 ( -2.298 0.000 1.212) 2.597 4.607 ( 2.298 0.000 1.212) 2.597 4.738 ( -8.077 0.000 -11.566) 14.107 4.738 ( 8.077 0.000 -11.566) 14.107 5.469 ( -1.395 0.000 1.098) 1.775 5.469 ( 1.395 0.000 1.098) 1.775 5.723 ( -2.617 0.000 1.667) 3.103 5.723 ( 2.617 0.000 1.667) 3.103 5.866 ( -3.763 0.000 0.020) 3.763 5.866 ( 3.763 0.000 0.020) 3.763 7.068 ( -2.614 0.000 1.445) 2.987 7.068 ( 2.614 0.000 1.445) 2.987 7.567 ( -4.737 0.000 -3.631) 5.968 7.567 ( 4.737 0.000 -3.631) 5.968 8.243 ( -21.176 0.000 16.882) 27.082 8.243 ( 21.176 0.000 16.882) 27.082 8.600 ( -21.579 0.000 -17.054) 27.504 8.600 ( 21.579 0.000 -17.054) 27.504 9.753 ( -1.799 0.000 0.185) 1.808 9.753 ( 1.799 0.000 0.185) 1.808 10.316 ( -2.436 0.000 -0.049) 2.437 10.316 ( 2.436 0.000 -0.049) 2.437 10.527 ( -5.812 0.000 1.582) 6.023 10.527 ( 5.812 0.000 1.582) 6.023 10.966 ( -3.776 0.000 0.185) 3.780 10.966 ( 3.776 0.000 0.185) 3.780 12.517 ( -1.636 0.000 -3.046) 3.457 12.517 ( 1.636 0.000 -3.046) 3.457 13.300 ( -4.445 0.000 -2.903) 5.309 13.300 ( 4.445 0.000 -2.903) 5.309 13.315 ( -2.454 0.000 -2.672) 3.628 13.315 ( 2.454 0.000 -2.672) 3.628 14.316 ( -1.285 0.000 0.141) 1.293 14.316 ( 1.285 0.000 0.141) 1.293 14.340 ( -0.930 0.000 0.010) 0.930 14.340 ( 0.930 0.000 0.010) 0.930 14.653 ( -1.045 0.000 1.537) 1.859 14.653 ( 1.045 0.000 1.537) 1.859 18.231 ( -1.202 0.000 -0.734) 1.408 18.231 ( 1.202 0.000 -0.734) 1.408 18.251 ( -3.024 0.000 1.259) 3.276 18.251 ( 3.024 0.000 1.259) 3.276 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.000 1.350 1.514) 2.029 1.699 ( 0.000 6.806 -1.270) 6.923 1.858 ( 0.000 2.640 5.205) 5.837 2.027 ( 0.000 -2.699 -10.796) 11.128 2.180 ( 0.000 -3.473 17.041) 17.391 2.208 ( 0.000 1.983 4.980) 5.360 2.363 ( 0.000 7.289 -9.525) 11.994 2.492 ( 0.000 -2.402 -14.766) 14.960 2.823 ( 0.000 -5.832 7.624) 9.599 2.963 ( 0.000 -8.860 -4.260) 9.831 3.006 ( 0.000 4.701 0.917) 4.790 3.076 ( 0.000 6.991 -4.324) 8.220 3.769 ( 0.000 -9.818 13.428) 16.635 3.957 ( 0.000 -12.734 -6.738) 14.407 3.990 ( 0.000 3.519 3.367) 4.870 4.002 ( 0.000 -1.660 -0.505) 1.735 4.247 ( 0.000 8.325 -2.383) 8.660 4.281 ( 0.000 0.925 -7.213) 7.272 4.425 ( 0.000 5.119 31.537) 31.950 4.473 ( 0.000 1.516 13.920) 14.002 4.735 ( 0.000 2.104 -12.126) 12.307 5.001 ( 0.000 -0.394 -2.453) 2.485 5.171 ( 0.000 0.168 -22.184) 22.185 5.273 ( 0.000 -2.875 -10.376) 10.767 5.501 ( 0.000 9.815 2.431) 10.112 5.597 ( 0.000 10.811 -7.593) 13.210 6.124 ( 0.000 -4.794 3.044) 5.679 6.181 ( 0.000 -4.129 -3.185) 5.215 6.524 ( 0.000 -2.576 13.128) 13.378 6.755 ( 0.000 -8.681 -10.203) 13.396 6.923 ( 0.000 0.583 1.836) 1.926 6.989 ( 0.000 0.631 -5.341) 5.379 7.799 ( 0.000 9.286 9.567) 13.332 7.964 ( 0.000 8.213 -7.276) 10.972 9.499 ( 0.000 -7.786 7.793) 11.016 9.530 ( 0.000 -8.346 2.503) 8.713 9.615 ( 0.000 -0.953 8.321) 8.375 9.758 ( 0.000 -4.109 -7.002) 8.119 9.940 ( 0.000 -2.754 -4.496) 5.272 10.033 ( 0.000 -2.672 -10.042) 10.392 10.396 ( 0.000 8.991 14.347) 16.931 10.682 ( 0.000 1.500 -14.689) 14.766 10.877 ( 0.000 10.825 4.235) 11.624 11.015 ( 0.000 11.353 -9.313) 14.684 12.640 ( 0.000 11.117 5.184) 12.266 12.726 ( 0.000 12.277 -3.913) 12.886 13.851 ( 0.000 -2.881 9.398) 9.830 13.896 ( 0.000 -1.025 6.362) 6.444 13.918 ( 0.000 -1.479 13.871) 13.949 13.930 ( 0.000 -8.555 0.715) 8.585 14.101 ( 0.000 2.760 -6.705) 7.251 14.272 ( 0.000 -0.981 -16.168) 16.197 14.361 ( 0.000 -1.734 0.822) 1.918 14.381 ( 0.000 -3.270 -1.118) 3.456 15.064 ( 0.000 0.333 4.110) 4.123 15.089 ( 0.000 -0.113 2.106) 2.109 17.885 ( 0.000 -6.595 10.759) 12.620 17.890 ( 0.000 -6.309 16.420) 17.591 18.137 ( 0.000 -2.115 -11.418) 11.612 18.235 ( 0.000 -4.040 -15.251) 15.778 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.12 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -4.264 8.927 -2.406) 10.182 1.663 ( -4.030 5.753 -3.509) 7.852 1.943 ( 7.405 0.800 8.543) 11.334 2.095 ( 1.934 -0.718 -4.667) 5.103 2.184 ( 3.951 -4.355 3.956) 7.087 2.300 ( 6.757 0.556 13.060) 14.715 2.346 ( 0.732 3.327 -9.302) 9.906 2.570 ( 5.929 -1.285 -12.018) 13.463 2.801 ( -1.507 -4.197 4.910) 6.633 2.908 ( -4.429 -7.821 -4.451) 10.030 3.045 ( 3.297 4.886 2.522) 6.412 3.120 ( 3.665 7.429 -4.499) 9.426 3.731 ( -2.907 -7.360 12.599) 14.878 3.826 ( -11.255 5.148 8.446) 14.984 3.890 ( -6.228 -10.202 -1.925) 12.107 3.992 ( -1.662 -2.157 -5.299) 5.958 4.169 ( -5.142 5.818 2.203) 8.071 4.280 ( 0.046 0.104 -11.355) 11.355 4.425 ( -0.657 -2.624 16.515) 16.735 4.647 ( 9.805 7.090 16.273) 20.278 4.687 ( -2.418 -0.286 -7.002) 7.414 5.032 ( 3.052 -4.614 4.662) 7.235 5.202 ( 2.786 2.657 -28.088) 28.350 5.222 ( -1.917 -3.453 -8.010) 8.931 5.554 ( 3.057 9.294 1.108) 9.847 5.619 ( 1.369 10.614 -5.268) 11.928 6.090 ( -2.408 -2.769 2.675) 4.541 6.153 ( -2.423 -3.801 -3.724) 5.847 6.602 ( 7.333 -2.438 12.493) 14.690 6.823 ( 5.667 -7.233 -10.396) 13.875 7.058 ( 11.780 1.011 3.618) 12.365 7.158 ( 15.107 0.059 -6.750) 16.546 7.750 ( -4.144 9.655 11.065) 15.259 7.945 ( -1.897 8.010 -8.898) 12.122 9.386 ( -10.489 -7.658 9.769) 16.251 9.469 ( -5.140 -8.472 -0.083) 9.910 9.656 ( 2.365 0.823 7.063) 7.493 9.796 ( 3.195 -2.186 -6.692) 7.731 9.996 ( 4.179 -2.102 -4.127) 6.239 10.063 ( 4.410 -3.639 -9.657) 11.223 10.380 ( -1.300 8.077 14.884) 16.984 10.663 ( -1.779 1.039 -13.191) 13.351 10.878 ( 0.144 9.670 3.799) 10.391 11.015 ( 0.032 9.712 -8.831) 13.127 12.652 ( 0.911 11.160 4.593) 12.103 12.727 ( -0.020 12.060 -3.446) 12.543 13.684 ( -10.694 -1.405 10.987) 15.396 13.740 ( -10.410 -0.974 10.532) 14.841 13.895 ( -6.577 -1.946 -4.260) 8.075 14.000 ( -5.050 0.421 -7.440) 9.002 14.049 ( 2.239 -3.819 5.815) 7.308 14.233 ( -2.110 -4.913 -10.362) 11.660 14.369 ( 0.353 -1.591 -0.427) 1.685 14.376 ( -0.833 -2.541 -0.447) 2.711 14.963 ( -7.845 -0.074 5.507) 9.585 15.013 ( -6.963 -0.747 0.392) 7.014 17.933 ( 3.922 -5.531 15.484) 16.904 17.955 ( 5.656 -5.907 9.268) 12.360 18.162 ( 2.110 -2.373 -10.214) 10.696 18.246 ( 0.918 -3.990 -14.004) 14.591 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -10.180 14.719 -2.890) 18.128 1.527 ( -9.321 15.772 -6.121) 19.316 2.022 ( -1.769 -2.053 2.172) 3.473 2.076 ( -2.703 0.391 -1.498) 3.115 2.314 ( 9.124 -1.306 6.692) 11.390 2.456 ( 7.556 -1.557 11.042) 13.470 2.485 ( 11.046 -2.681 -3.909) 12.020 2.670 ( 1.856 -6.043 -0.725) 6.363 2.813 ( 3.777 1.020 -7.037) 8.051 2.833 ( -1.714 -5.615 -4.809) 7.589 3.100 ( 0.648 6.301 3.922) 7.450 3.196 ( 2.457 7.087 -5.517) 9.311 3.579 ( -8.162 -0.353 10.289) 13.138 3.684 ( -5.396 -4.843 1.186) 7.347 3.761 ( -4.610 -2.888 3.460) 6.447 3.902 ( -6.798 3.330 -10.575) 13.005 4.104 ( -0.387 2.208 13.179) 13.368 4.301 ( 1.453 -3.546 -7.057) 8.030 4.400 ( 0.560 -6.401 5.630) 8.543 4.565 ( -4.458 -6.169 -8.090) 11.108 4.905 ( 10.487 6.140 11.784) 16.928 5.113 ( 3.077 -3.983 5.986) 7.821 5.224 ( 1.726 -2.137 -5.616) 6.252 5.269 ( 3.518 0.543 -21.378) 21.672 5.598 ( 1.625 7.812 1.623) 8.143 5.651 ( 2.124 10.928 -3.088) 11.553 6.035 ( -3.052 -0.012 2.482) 3.934 6.093 ( -3.317 -3.245 -3.165) 5.617 6.804 ( 11.002 0.295 9.302) 14.410 6.965 ( 7.418 -3.476 -7.164) 10.883 7.358 ( 15.389 1.941 8.001) 17.453 7.551 ( 19.357 0.064 -11.169) 22.348 7.669 ( -0.756 7.238 10.389) 12.685 7.883 ( -3.695 6.848 -10.490) 13.061 9.086 ( -17.557 -5.850 13.514) 22.915 9.292 ( -12.139 -7.535 -7.613) 16.189 9.716 ( 3.678 3.215 5.643) 7.464 9.849 ( 1.560 2.522 -7.970) 8.504 10.111 ( 6.765 -1.405 0.709) 6.945 10.206 ( 7.273 -3.074 -9.186) 12.114 10.362 ( 0.279 5.216 14.761) 15.659 10.620 ( -1.541 -0.922 -10.080) 10.239 10.878 ( -0.452 6.826 4.354) 8.109 11.014 ( -0.283 4.823 -7.633) 9.033 12.664 ( -0.194 11.539 3.005) 11.925 12.717 ( -1.097 11.412 -2.608) 11.757 13.466 ( -9.321 -0.055 8.963) 12.932 13.504 ( -10.856 0.851 9.895) 14.714 13.680 ( -12.173 1.005 -9.489) 15.467 13.776 ( -13.640 1.580 -13.139) 19.005 14.122 ( 3.009 -7.868 5.314) 9.959 14.215 ( 0.041 -8.272 -4.162) 9.261 14.349 ( -1.357 -1.476 1.078) 2.277 14.368 ( -0.360 -1.201 -1.091) 1.663 14.796 ( -7.454 -1.325 4.840) 8.986 14.844 ( -8.184 -1.922 -0.235) 8.409 18.032 ( 5.159 -4.161 12.741) 14.361 18.076 ( 5.150 -4.606 5.841) 9.048 18.205 ( 1.564 -2.553 -7.210) 7.807 18.264 ( 0.522 -3.772 -10.479) 11.149 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.38 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -9.647 23.440 -3.272) 25.558 1.302 ( -10.568 24.181 -6.202) 27.108 1.958 ( -2.701 1.541 0.171) 3.114 1.997 ( -3.944 1.351 -3.863) 5.684 2.508 ( 7.300 1.340 11.928) 14.049 2.625 ( 8.863 -5.010 8.420) 13.212 2.662 ( -1.259 -4.467 7.117) 8.497 2.728 ( 10.576 -4.373 -4.527) 12.307 2.837 ( 1.285 -3.707 -7.984) 8.896 2.911 ( 4.601 -2.915 -10.200) 11.563 3.050 ( -4.567 6.456 6.806) 10.434 3.185 ( -3.364 4.439 -6.831) 8.814 3.497 ( -0.485 -2.151 4.285) 4.819 3.571 ( -4.035 -4.331 -1.178) 6.035 3.658 ( -5.587 -1.104 2.216) 6.111 3.739 ( -8.158 3.611 -7.429) 11.609 4.143 ( 3.715 -7.851 9.838) 13.123 4.302 ( -1.901 -12.310 -5.091) 13.456 4.475 ( 5.888 -2.753 3.088) 7.196 4.567 ( 3.864 0.326 -5.885) 7.048 5.030 ( 1.137 8.904 2.709) 9.376 5.106 ( -2.827 10.374 -1.427) 10.846 5.301 ( 4.507 -6.864 -0.017) 8.211 5.337 ( 2.374 -7.356 -6.018) 9.796 5.662 ( 5.360 6.330 3.231) 8.901 5.722 ( 4.836 9.115 -1.832) 10.480 5.953 ( -4.841 1.294 3.025) 5.853 6.001 ( -5.869 -1.800 -1.658) 6.359 7.019 ( 8.741 4.526 5.645) 11.347 7.109 ( 5.415 3.062 -3.544) 7.160 7.528 ( 0.986 3.978 9.112) 9.991 7.718 ( -2.756 5.152 -8.982) 10.715 7.824 ( 14.478 0.650 9.145) 17.137 8.075 ( 22.512 -2.620 -14.651) 26.987 8.679 ( -20.749 -3.789 15.755) 26.327 8.972 ( -18.043 -5.763 -13.840) 23.458 9.799 ( 3.782 7.166 2.954) 8.625 9.869 ( 0.369 6.887 -4.254) 8.103 10.223 ( 3.099 -0.346 2.302) 3.875 10.297 ( 0.772 -1.722 -5.327) 5.651 10.431 ( 6.677 2.141 10.452) 12.586 10.628 ( 1.558 -0.373 -9.165) 9.304 10.859 ( -0.572 0.122 7.290) 7.314 10.989 ( -2.549 -1.252 -5.537) 6.223 12.640 ( -1.441 11.882 0.510) 11.980 12.681 ( -2.326 11.055 -3.197) 11.741 13.312 ( -4.729 0.373 5.520) 7.278 13.349 ( -3.547 2.135 2.365) 4.768 13.448 ( -9.021 1.273 -7.560) 11.839 13.495 ( -11.839 1.509 -10.368) 15.809 14.176 ( 2.326 -9.223 2.768) 9.906 14.223 ( 0.487 -9.056 -2.085) 9.306 14.331 ( -0.203 -0.353 1.663) 1.712 14.360 ( -0.411 -0.342 -1.392) 1.491 14.664 ( -4.810 -2.562 3.395) 6.420 14.695 ( -5.750 -2.903 -0.056) 6.442 18.136 ( 4.512 -3.427 7.528) 9.422 18.158 ( 2.835 -3.406 2.650) 5.164 18.220 ( -0.149 -2.439 -3.766) 4.489 18.259 ( -1.087 -3.418 -5.158) 6.283 ======================= Grid point 265 (90/100) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -0.850 28.278 -4.764) 28.689 1.167 ( 0.850 28.278 -4.764) 28.689 1.939 ( -1.124 3.363 -2.417) 4.291 1.939 ( 1.124 3.363 -2.417) 4.291 2.611 ( -3.298 -1.631 10.999) 11.598 2.611 ( 3.298 -1.631 10.999) 11.598 2.788 ( -4.854 -2.871 -3.168) 6.468 2.788 ( 4.854 -2.871 -3.168) 6.468 2.920 ( -5.586 -2.409 1.699) 6.316 2.920 ( 5.586 -2.409 1.699) 6.316 3.066 ( -7.427 0.991 -6.337) 9.813 3.066 ( 7.427 0.991 -6.337) 9.813 3.516 ( -2.062 -3.275 -0.527) 3.906 3.516 ( 2.062 -3.275 -0.527) 3.906 3.607 ( -2.868 -0.090 -1.084) 3.067 3.607 ( 2.868 -0.090 -1.084) 3.067 4.234 ( -4.247 -13.834 -1.559) 14.555 4.234 ( 4.247 -13.834 -1.559) 14.555 4.593 ( -3.219 1.302 1.574) 3.813 4.593 ( 3.219 1.302 1.574) 3.813 5.043 ( -2.196 14.393 -2.344) 14.747 5.043 ( 2.196 14.393 -2.344) 14.747 5.356 ( -0.676 -8.341 -0.144) 8.370 5.356 ( 0.676 -8.341 -0.144) 8.370 5.806 ( -4.659 5.301 2.850) 7.611 5.806 ( 4.659 5.301 2.850) 7.611 5.865 ( -3.785 0.867 0.145) 3.886 5.865 ( 3.785 0.867 0.145) 3.886 7.143 ( -2.580 7.194 2.145) 7.938 7.143 ( 2.580 7.194 2.145) 7.938 7.593 ( -5.756 2.159 -3.128) 6.897 7.593 ( 5.756 2.159 -3.128) 6.897 8.226 ( -20.351 -1.521 15.213) 25.454 8.226 ( 20.351 -1.521 15.213) 25.454 8.557 ( -21.020 -4.376 -16.285) 26.948 8.557 ( 21.020 -4.376 -16.285) 26.948 9.858 ( -1.666 9.661 -0.125) 9.804 9.858 ( 1.666 9.661 -0.125) 9.804 10.271 ( -2.139 -2.647 -0.003) 3.403 10.271 ( 2.139 -2.647 -0.003) 3.403 10.585 ( -6.187 3.915 1.562) 7.486 10.585 ( 6.187 3.915 1.562) 7.486 10.907 ( -4.585 -5.540 -0.182) 7.194 10.907 ( 4.585 -5.540 -0.182) 7.194 12.636 ( -1.327 11.543 -2.730) 11.936 12.636 ( 1.327 11.543 -2.730) 11.936 13.303 ( -3.844 0.327 -2.836) 4.788 13.303 ( 3.844 0.327 -2.836) 4.788 13.343 ( -2.510 2.523 -2.881) 4.578 13.343 ( 2.510 2.523 -2.881) 4.579 14.217 ( -1.321 -9.604 0.401) 9.703 14.217 ( 1.321 -9.604 0.401) 9.703 14.344 ( -1.151 0.385 -0.096) 1.218 14.344 ( 1.151 0.385 -0.096) 1.218 14.620 ( -0.988 -3.227 1.376) 3.645 14.620 ( 0.988 -3.227 1.376) 3.645 18.201 ( -1.111 -2.761 -0.142) 2.980 18.201 ( 1.111 -2.761 -0.142) 2.980 18.217 ( -2.680 -3.121 0.820) 4.195 18.217 ( 2.680 -3.121 0.820) 4.195 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.000 3.709 8.516) 9.289 1.857 ( 0.000 7.187 -0.855) 7.238 1.903 ( 0.000 2.645 0.057) 2.646 1.951 ( 0.000 -5.147 -4.583) 6.892 2.137 ( 0.000 1.769 13.196) 13.314 2.288 ( 0.000 4.392 11.062) 11.902 2.445 ( 0.000 -0.422 -16.141) 16.147 2.531 ( 0.000 7.799 -12.875) 15.053 2.685 ( 0.000 -7.194 1.944) 7.452 2.762 ( 0.000 -10.095 -3.662) 10.739 3.012 ( 0.000 -5.875 1.502) 6.064 3.135 ( 0.000 -4.357 -8.310) 9.383 3.653 ( 0.000 1.794 8.456) 8.644 3.772 ( 0.000 -2.263 -4.185) 4.757 3.965 ( 0.000 -2.319 0.484) 2.369 4.022 ( 0.000 -1.095 -3.288) 3.466 4.324 ( 0.000 3.228 1.550) 3.581 4.383 ( 0.000 3.222 -2.453) 4.049 4.547 ( 0.000 6.699 12.427) 14.118 4.608 ( 0.000 11.268 30.663) 32.668 4.757 ( 0.000 -0.336 -8.309) 8.316 4.956 ( 0.000 -4.339 13.332) 14.021 5.222 ( 0.000 3.937 -30.519) 30.772 5.231 ( 0.000 -0.873 -14.085) 14.112 5.597 ( 0.000 -1.137 1.002) 1.515 5.712 ( 0.000 -1.857 -10.578) 10.740 6.118 ( 0.000 6.326 2.760) 6.902 6.157 ( 0.000 4.055 -1.263) 4.247 6.442 ( 0.000 -5.638 6.476) 8.586 6.554 ( 0.000 -11.069 -4.766) 12.052 6.943 ( 0.000 1.329 0.685) 1.495 6.989 ( 0.000 -0.517 -4.187) 4.219 8.021 ( 0.000 11.482 9.268) 14.756 8.139 ( 0.000 7.544 -2.613) 7.983 9.308 ( 0.000 -9.433 6.310) 11.349 9.341 ( 0.000 -9.541 1.657) 9.684 9.630 ( 0.000 2.716 2.456) 3.662 9.700 ( 0.000 -1.133 -4.639) 4.776 9.871 ( 0.000 -3.645 -3.320) 4.931 9.932 ( 0.000 -6.170 -7.629) 9.811 10.621 ( 0.000 11.079 4.893) 12.111 10.755 ( 0.000 3.909 -8.953) 9.770 11.088 ( 0.000 9.012 4.559) 10.100 11.191 ( 0.000 5.220 -5.448) 7.545 12.942 ( 0.000 17.820 5.616) 18.684 13.045 ( 0.000 17.713 -5.017) 18.409 13.711 ( 0.000 -12.576 4.787) 13.456 13.737 ( 0.000 -8.525 2.581) 8.907 13.885 ( 0.000 -0.284 10.394) 10.398 13.892 ( 0.000 -0.984 13.629) 13.665 14.160 ( 0.000 2.993 -8.384) 8.902 14.246 ( 0.000 -1.515 -13.495) 13.580 14.303 ( 0.000 -3.834 -2.003) 4.326 14.305 ( 0.000 -3.368 -1.624) 3.739 15.073 ( 0.000 0.519 3.829) 3.864 15.087 ( 0.000 -0.127 2.755) 2.758 17.740 ( 0.000 -6.535 13.425) 14.931 17.748 ( 0.000 -6.659 15.336) 16.719 18.091 ( 0.000 -1.887 -12.299) 12.443 18.143 ( 0.000 -4.448 -14.728) 15.385 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.12 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 3.133 6.919 4.606) 8.883 1.858 ( 0.060 10.052 -2.145) 10.278 1.950 ( 4.543 0.799 3.793) 5.972 2.055 ( 7.305 -6.197 -0.460) 9.591 2.140 ( 0.181 3.556 7.143) 7.981 2.330 ( 3.442 0.902 7.555) 8.351 2.407 ( -1.076 3.663 -10.078) 10.777 2.538 ( -0.451 -2.248 -6.795) 7.171 2.722 ( 2.817 -3.162 -4.638) 6.281 2.738 ( -0.850 -7.416 -1.584) 7.630 3.053 ( 3.684 -5.614 2.385) 7.126 3.178 ( 3.110 -5.132 -8.447) 10.361 3.654 ( 0.169 3.671 7.355) 8.223 3.754 ( -1.687 0.956 -3.228) 3.766 3.915 ( -7.007 0.742 4.349) 8.280 3.955 ( -2.621 -0.973 0.750) 2.894 4.276 ( -2.572 1.410 -1.452) 3.273 4.338 ( -3.420 4.403 -5.056) 7.526 4.396 ( -9.159 2.306 14.673) 17.450 4.635 ( -10.068 -3.714 -9.103) 14.072 4.804 ( 10.153 6.896 19.771) 23.271 4.957 ( 1.938 -2.742 12.453) 12.898 5.199 ( -1.503 1.232 -12.242) 12.396 5.273 ( 3.511 3.244 -26.200) 26.632 5.621 ( 1.447 -2.596 1.509) 3.333 5.716 ( 0.668 -2.337 -7.460) 7.846 6.117 ( -0.268 5.835 2.306) 6.280 6.163 ( -0.446 6.687 -2.245) 7.068 6.525 ( 9.037 -5.028 6.931) 12.449 6.651 ( 8.494 -9.533 -6.103) 14.152 7.087 ( 12.519 1.856 1.686) 12.768 7.150 ( 14.240 -0.821 -4.862) 15.069 7.980 ( -3.812 11.970 10.070) 16.100 8.118 ( -2.197 7.411 -3.818) 8.621 9.210 ( -8.900 -8.184 7.400) 14.176 9.283 ( -5.506 -9.583 -0.586) 11.068 9.687 ( 4.301 2.854 3.223) 6.085 9.763 ( 5.937 -0.309 -4.222) 7.292 9.921 ( 3.914 -4.600 -3.772) 7.120 9.964 ( 4.173 -5.773 -7.455) 10.311 10.593 ( -2.433 11.041 5.351) 12.508 10.731 ( -2.326 3.945 -8.727) 9.856 11.062 ( -2.381 7.657 4.739) 9.314 11.161 ( -2.768 3.950 -4.785) 6.795 12.957 ( 1.250 18.151 4.943) 18.853 13.046 ( -0.049 18.094 -4.316) 18.601 13.634 ( -6.992 -4.762 8.391) 11.915 13.678 ( -5.406 -6.384 3.517) 9.075 13.835 ( -4.349 -2.737 9.473) 10.777 13.908 ( 0.547 -6.610 7.236) 9.816 14.055 ( -8.976 2.106 -10.585) 14.037 14.146 ( -7.832 -3.320 -12.910) 15.460 14.305 ( 0.194 -3.309 -0.358) 3.334 14.320 ( 0.176 -3.317 -2.015) 3.885 14.964 ( -8.800 0.248 4.675) 9.968 14.994 ( -8.181 -1.055 1.530) 8.390 17.810 ( 5.582 -5.599 14.485) 16.502 17.822 ( 6.649 -6.156 12.190) 15.189 18.112 ( 1.757 -2.112 -11.363) 11.691 18.156 ( 1.114 -4.300 -13.598) 14.305 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -1.719 15.202 2.633) 15.524 1.861 ( -0.866 15.311 -3.001) 15.627 2.000 ( 0.500 0.642 3.842) 3.927 2.105 ( -3.356 3.103 -5.036) 6.801 2.240 ( 10.468 -5.815 9.065) 15.019 2.422 ( 6.239 -3.585 -6.408) 9.636 2.452 ( 3.723 0.731 7.093) 8.044 2.529 ( 0.184 -7.519 0.114) 7.522 2.720 ( 0.959 -3.666 -0.975) 3.913 2.817 ( 3.907 -0.927 -7.379) 8.401 3.136 ( 3.056 -4.716 1.503) 5.817 3.214 ( -0.345 -7.971 -6.448) 10.258 3.598 ( -8.252 6.746 6.209) 12.335 3.678 ( -5.773 4.828 -2.167) 7.832 3.776 ( -3.007 3.688 8.652) 9.874 3.943 ( -0.895 0.810 -6.073) 6.192 4.126 ( -10.695 -0.767 7.244) 12.940 4.227 ( -6.468 -4.682 -4.347) 9.091 4.340 ( 4.121 1.472 2.219) 4.906 4.480 ( -0.121 -3.204 -10.612) 11.086 4.980 ( 6.876 1.453 11.585) 13.550 5.051 ( 5.503 -0.931 9.897) 11.362 5.189 ( 0.332 0.589 -8.418) 8.445 5.324 ( 0.895 0.835 -17.971) 18.012 5.657 ( 2.530 -0.889 4.048) 4.856 5.749 ( 2.486 -1.763 -4.389) 5.344 6.093 ( -2.305 5.237 2.309) 6.170 6.125 ( -3.043 6.602 -0.724) 7.306 6.798 ( 15.635 -0.742 4.432) 16.268 6.879 ( 12.778 -4.727 -3.690) 14.116 7.405 ( 16.623 2.823 3.461) 17.213 7.525 ( 20.289 -2.310 -8.726) 22.206 7.871 ( -6.152 11.430 10.967) 16.993 8.036 ( -5.758 6.532 -5.369) 10.230 8.954 ( -15.119 -5.688 9.195) 18.587 9.108 ( -11.321 -10.117 -6.106) 16.364 9.797 ( 6.553 5.007 3.739) 9.055 9.901 ( 5.909 3.280 -6.711) 9.524 10.041 ( 8.592 -5.472 0.911) 10.227 10.116 ( 9.039 -5.797 -7.188) 12.922 10.530 ( -3.287 10.060 5.823) 12.080 10.660 ( -4.093 3.617 -7.105) 8.962 10.992 ( -4.429 4.117 4.485) 7.529 11.077 ( -5.288 0.642 -3.192) 6.210 12.981 ( 0.663 19.145 2.899) 19.375 13.030 ( -1.708 18.532 -2.303) 18.752 13.462 ( -8.370 -0.607 8.289) 11.796 13.525 ( -7.981 0.516 4.610) 9.231 13.684 ( -10.025 -1.392 -2.317) 10.383 13.809 ( -13.860 1.241 -12.234) 18.529 13.912 ( 0.004 -12.003 3.801) 12.591 14.009 ( -3.828 -11.417 -6.729) 13.794 14.306 ( 0.187 -2.226 0.747) 2.356 14.323 ( 0.418 -2.781 -0.934) 2.963 14.769 ( -8.971 -1.046 3.985) 9.872 14.799 ( -9.402 -2.268 0.748) 9.701 17.942 ( 6.407 -3.942 12.150) 14.290 17.970 ( 6.564 -5.074 8.586) 11.940 18.150 ( 1.539 -2.381 -8.554) 9.012 18.180 ( 0.904 -3.916 -10.321) 11.076 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.38 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -3.121 22.198 2.491) 22.554 1.794 ( -4.494 22.687 -1.736) 23.193 2.022 ( 1.409 5.066 -0.337) 5.269 2.053 ( -1.016 4.339 -3.333) 5.565 2.476 ( 9.541 -9.544 6.619) 15.031 2.513 ( 1.955 -3.486 6.307) 7.466 2.548 ( 4.602 -7.982 4.456) 10.235 2.590 ( 7.481 -5.630 0.997) 9.415 2.776 ( 4.256 -2.055 -5.067) 6.929 2.852 ( -0.838 -1.375 -7.269) 7.445 3.117 ( -4.917 -2.234 3.781) 6.592 3.181 ( -3.130 -7.784 -4.331) 9.442 3.435 ( -4.169 1.109 3.320) 5.443 3.551 ( -5.476 1.689 -6.706) 8.821 3.617 ( -10.648 -2.326 5.505) 12.210 3.776 ( -12.876 -2.138 -10.889) 16.998 4.088 ( 4.789 5.015 4.800) 8.434 4.177 ( 1.522 1.903 -3.988) 4.673 4.479 ( 7.506 0.066 4.191) 8.597 4.569 ( 4.820 -2.088 -5.413) 7.543 5.105 ( 5.048 -2.297 3.984) 6.829 5.142 ( 3.391 0.055 4.977) 6.023 5.203 ( 0.652 -2.436 -3.805) 4.565 5.308 ( -2.329 -0.174 -10.848) 11.097 5.741 ( 5.623 2.359 5.856) 8.454 5.818 ( 4.096 0.025 -1.514) 4.367 6.016 ( -5.065 4.181 2.755) 7.122 6.037 ( -5.335 5.229 0.894) 7.523 7.112 ( 13.303 4.199 4.197) 14.568 7.173 ( 14.755 2.452 -1.498) 15.032 7.637 ( -2.404 6.747 10.248) 12.503 7.824 ( -1.467 3.742 -6.296) 7.470 7.858 ( 7.942 2.538 4.009) 9.251 8.006 ( 17.521 -3.598 -9.733) 20.363 8.600 ( -18.212 -2.586 9.432) 20.672 8.815 ( -16.534 -9.435 -11.284) 22.130 9.956 ( 8.111 7.647 2.000) 11.326 10.015 ( 5.340 6.801 -3.901) 9.486 10.220 ( 5.526 -1.206 0.965) 5.738 10.272 ( 3.325 -1.867 -4.475) 5.879 10.492 ( 1.866 5.005 5.898) 7.958 10.607 ( 1.307 -0.537 -5.390) 5.572 10.866 ( -7.743 0.156 4.717) 9.068 10.943 ( -7.538 -3.451 -2.323) 8.610 12.963 ( -2.105 19.106 -0.079) 19.222 12.986 ( -2.101 18.273 -1.832) 18.485 13.319 ( -4.484 -0.117 3.909) 5.950 13.404 ( -3.521 2.983 -1.087) 4.741 13.469 ( -8.974 0.854 -4.603) 10.122 13.537 ( -10.401 2.643 -8.875) 13.926 13.921 ( 0.901 -15.793 2.399) 15.999 13.966 ( -1.110 -16.155 -2.371) 16.365 14.325 ( 1.785 -0.085 1.275) 2.195 14.345 ( 1.679 -0.882 -0.779) 2.050 14.604 ( -6.492 -2.778 2.657) 7.545 14.626 ( -6.909 -3.534 0.334) 7.768 18.062 ( 4.916 -3.167 7.132) 9.223 18.080 ( 3.990 -3.749 4.446) 7.053 18.166 ( -0.160 -2.443 -4.426) 5.058 18.183 ( -0.726 -3.482 -5.192) 6.294 ======================= Grid point 274 (95/100) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -0.995 25.690 0.579) 25.716 1.728 ( 0.995 25.690 0.579) 25.716 2.043 ( -0.514 6.681 -1.897) 6.964 2.043 ( 0.514 6.681 -1.897) 6.964 2.531 ( -0.174 -6.327 7.343) 9.694 2.531 ( 0.174 -6.327 7.343) 9.694 2.699 ( -1.004 -10.828 2.200) 11.095 2.699 ( 1.004 -10.828 2.200) 11.095 2.826 ( -1.471 0.591 -3.454) 3.801 2.826 ( 1.471 0.591 -3.454) 3.801 3.072 ( -4.525 -4.271 0.083) 6.223 3.072 ( 4.525 -4.271 0.083) 6.223 3.435 ( -3.498 -1.937 -2.601) 4.770 3.435 ( 3.498 -1.937 -2.601) 4.770 3.562 ( -5.363 -4.601 -6.530) 9.621 3.562 ( 5.363 -4.601 -6.530) 9.621 4.179 ( -2.416 8.181 -0.123) 8.532 4.179 ( 2.416 8.181 -0.123) 8.532 4.596 ( -2.680 -3.057 0.689) 4.123 4.596 ( 2.680 -3.057 0.689) 4.123 5.177 ( -1.555 -1.298 1.872) 2.758 5.177 ( 1.555 -1.298 1.872) 2.758 5.238 ( -3.766 -1.371 -5.000) 6.409 5.238 ( 3.766 -1.371 -5.000) 6.409 5.881 ( -6.721 3.387 4.016) 8.530 5.881 ( 6.721 3.387 4.016) 8.530 5.921 ( -4.911 2.820 1.208) 5.790 5.921 ( 4.911 2.820 1.208) 5.790 7.331 ( -5.100 10.807 4.144) 12.648 7.331 ( 5.100 10.807 4.144) 12.648 7.620 ( -8.457 -0.647 0.171) 8.483 7.620 ( 8.457 -0.647 0.171) 8.483 8.208 ( -18.196 0.707 7.588) 19.728 8.208 ( 18.196 0.707 7.588) 19.728 8.432 ( -19.511 -7.674 -13.282) 24.819 8.432 ( 19.511 -7.674 -13.282) 24.819 10.084 ( -1.549 11.175 -0.782) 11.309 10.084 ( 1.549 11.175 -0.782) 11.309 10.248 ( -1.516 0.241 -0.367) 1.578 10.248 ( 1.516 0.241 -0.367) 1.578 10.638 ( -7.922 1.213 2.056) 8.274 10.638 ( 7.922 1.213 2.056) 8.274 10.774 ( -6.705 -6.907 -0.730) 9.654 10.774 ( 6.705 -6.907 -0.730) 9.654 12.947 ( -0.955 18.139 -2.493) 18.334 12.947 ( 0.955 18.139 -2.493) 18.334 13.306 ( -3.491 -0.455 -3.387) 4.886 13.306 ( 3.491 -0.455 -3.387) 4.886 13.411 ( -2.137 4.613 -2.345) 5.599 13.411 ( 2.137 4.613 -2.345) 5.599 13.944 ( -1.155 -17.160 0.279) 17.201 13.944 ( 1.155 -17.160 0.279) 17.201 14.365 ( -0.920 2.059 0.285) 2.273 14.365 ( 0.920 2.059 0.285) 2.273 14.532 ( -0.892 -5.169 1.058) 5.351 14.532 ( 0.892 -5.169 1.058) 5.351 18.139 ( -0.250 -2.790 0.758) 2.903 18.139 ( 0.250 -2.790 0.758) 2.903 18.148 ( -1.159 -3.157 0.217) 3.370 18.148 ( 1.159 -3.157 0.217) 3.370 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 0.000 -5.337 5.449) 7.628 1.834 ( 0.000 5.337 5.449) 7.628 1.935 ( 0.000 -0.598 3.641) 3.690 1.935 ( 0.000 0.598 3.641) 3.690 2.262 ( 0.000 -7.152 4.761) 8.592 2.262 ( 0.000 7.152 4.761) 8.592 2.540 ( 0.000 -7.161 -14.694) 16.346 2.540 ( 0.000 7.161 -14.694) 16.346 2.623 ( 0.000 -2.802 1.165) 3.034 2.623 ( 0.000 2.802 1.165) 3.034 2.973 ( 0.000 -6.610 -5.246) 8.439 2.973 ( 0.000 6.610 -5.246) 8.439 3.757 ( 0.000 -4.345 2.300) 4.917 3.757 ( 0.000 4.345 2.300) 4.917 3.959 ( 0.000 -3.367 -3.370) 4.764 3.959 ( 0.000 3.367 -3.370) 4.764 4.385 ( 0.000 -2.121 3.778) 4.333 4.385 ( 0.000 2.121 3.778) 4.333 4.687 ( 0.000 -5.417 4.607) 7.111 4.687 ( 0.000 5.417 4.607) 7.111 4.829 ( 0.000 -8.441 18.406) 20.249 4.829 ( 0.000 8.441 18.406) 20.249 5.250 ( 0.000 -1.752 -19.797) 19.875 5.250 ( 0.000 1.752 -19.797) 19.875 5.604 ( 0.000 -4.842 -8.596) 9.866 5.604 ( 0.000 4.842 -8.596) 9.866 6.289 ( 0.000 -2.656 0.264) 2.669 6.289 ( 0.000 2.656 0.264) 2.669 6.333 ( 0.000 -6.373 1.058) 6.460 6.333 ( 0.000 6.373 1.058) 6.460 6.971 ( 0.000 -1.286 -1.689) 2.123 6.971 ( 0.000 1.286 -1.689) 2.123 8.190 ( 0.000 -3.619 4.970) 6.148 8.190 ( 0.000 3.619 4.970) 6.148 9.213 ( 0.000 -1.422 2.693) 3.045 9.213 ( 0.000 1.422 2.693) 3.045 9.689 ( 0.000 -1.592 -1.786) 2.393 9.689 ( 0.000 1.592 -1.786) 2.393 9.836 ( 0.000 -1.754 -5.041) 5.337 9.836 ( 0.000 1.754 -5.041) 5.337 10.772 ( 0.000 -3.224 -2.510) 4.086 10.772 ( 0.000 3.224 -2.510) 4.086 11.211 ( 0.000 -2.941 0.548) 2.992 11.211 ( 0.000 2.941 0.548) 2.992 13.250 ( 0.000 -6.585 1.123) 6.680 13.250 ( 0.000 6.585 1.123) 6.680 13.551 ( 0.000 -4.748 2.407) 5.323 13.551 ( 0.000 4.748 2.407) 5.323 13.882 ( 0.000 -0.074 12.749) 12.749 13.882 ( 0.000 0.074 12.749) 12.749 14.213 ( 0.000 -2.116 -11.750) 11.939 14.213 ( 0.000 2.116 -11.750) 11.939 14.259 ( 0.000 -0.268 -1.743) 1.763 14.259 ( 0.000 0.268 -1.743) 1.763 15.082 ( 0.000 -0.351 3.373) 3.391 15.082 ( 0.000 0.351 3.373) 3.391 17.670 ( 0.000 -0.275 14.830) 14.833 17.670 ( 0.000 0.275 14.830) 14.833 18.082 ( 0.000 -1.286 -13.702) 13.762 18.082 ( 0.000 1.286 -13.702) 13.762 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 5.781 -5.655 7.588) 11.089 1.921 ( 5.781 5.655 7.588) 11.089 1.975 ( 4.152 -1.241 2.463) 4.984 1.975 ( 4.152 1.241 2.463) 4.984 2.267 ( 0.442 -7.244 0.369) 7.267 2.267 ( 0.442 7.244 0.369) 7.267 2.490 ( -3.467 -2.120 -8.957) 9.835 2.490 ( -3.467 2.120 -8.957) 9.835 2.665 ( 3.545 -3.486 0.219) 4.976 2.665 ( 3.545 3.486 0.219) 4.976 3.015 ( 3.187 -6.006 -5.525) 8.761 3.015 ( 3.187 6.006 -5.525) 8.761 3.788 ( 3.274 -4.861 2.395) 6.331 3.788 ( 3.274 4.861 2.395) 6.331 3.908 ( -4.991 -3.458 -0.741) 6.117 3.908 ( -4.991 3.458 -0.741) 6.117 4.316 ( -5.254 -2.547 5.980) 8.358 4.316 ( -5.254 2.547 5.980) 8.358 4.532 ( -11.910 -6.696 -5.255) 14.639 4.532 ( -11.910 6.696 -5.255) 14.639 4.906 ( 5.670 -3.212 17.876) 19.027 4.906 ( 5.670 3.212 17.876) 19.027 5.266 ( 0.713 -4.071 -15.970) 16.496 5.266 ( 0.713 4.071 -15.970) 16.496 5.614 ( 1.421 -4.270 -6.779) 8.136 5.614 ( 1.421 4.270 -6.779) 8.136 6.252 ( -2.359 -3.246 1.873) 4.429 6.252 ( -2.359 3.246 1.873) 4.429 6.481 ( 12.391 -4.781 -1.169) 13.333 6.481 ( 12.391 4.781 -1.169) 13.333 7.125 ( 13.389 -1.713 -1.606) 13.593 7.125 ( 13.389 1.713 -1.606) 13.593 8.161 ( -2.942 -4.288 5.001) 7.215 8.161 ( -2.942 4.288 5.001) 7.215 9.142 ( -6.770 -2.634 1.793) 7.482 9.142 ( -6.770 2.634 1.793) 7.482 9.756 ( 6.117 -2.556 -0.369) 6.640 9.756 ( 6.117 2.556 -0.369) 6.640 9.870 ( 3.443 -1.800 -5.816) 6.995 9.870 ( 3.443 1.800 -5.816) 6.995 10.748 ( -2.234 -3.392 -2.452) 4.744 10.748 ( -2.234 3.392 -2.452) 4.744 11.168 ( -4.003 -2.844 1.139) 5.041 11.168 ( -4.003 2.844 1.139) 5.041 13.272 ( 1.959 -6.233 1.167) 6.637 13.272 ( 1.959 6.233 1.167) 6.637 13.524 ( -2.748 -4.160 2.646) 5.644 13.524 ( -2.748 4.160 2.645) 5.644 13.821 ( -5.464 -1.451 11.311) 12.645 13.821 ( -5.464 1.451 11.311) 12.645 14.096 ( -9.595 -2.037 -12.438) 15.841 14.096 ( -9.595 2.037 -12.438) 15.841 14.273 ( 0.394 -0.581 -1.517) 1.672 14.273 ( 0.394 0.581 -1.517) 1.672 14.974 ( -9.079 -0.831 3.166) 9.651 14.974 ( -9.079 0.831 3.166) 9.651 17.751 ( 6.788 -0.315 13.820) 15.400 17.751 ( 6.788 0.315 13.820) 15.400 18.098 ( 1.425 -1.093 -12.700) 12.827 18.098 ( 1.425 1.093 -12.700) 12.827 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 2.241 -2.455 5.978) 6.840 1.997 ( 2.241 2.455 5.978) 6.840 2.093 ( 5.196 -6.902 2.819) 9.087 2.093 ( 5.196 6.902 2.819) 9.087 2.278 ( 0.853 -10.724 -1.607) 10.877 2.278 ( 0.853 10.724 -1.607) 10.877 2.447 ( 0.205 -1.020 -5.763) 5.856 2.447 ( 0.205 1.020 -5.763) 5.856 2.750 ( 3.754 -5.590 2.965) 7.357 2.750 ( 3.754 5.590 2.965) 7.357 3.068 ( 1.333 -2.872 -6.044) 6.824 3.068 ( 1.333 2.872 -6.044) 6.824 3.724 ( -10.754 -3.067 5.151) 12.312 3.724 ( -10.754 3.067 5.151) 12.312 3.893 ( 1.381 -6.365 -1.421) 6.666 3.893 ( 1.381 6.365 -1.421) 6.666 4.138 ( -8.502 -2.813 2.383) 9.267 4.138 ( -8.502 2.813 2.383) 9.267 4.406 ( 2.037 -4.033 -7.193) 8.495 4.406 ( 2.037 4.033 -7.193) 8.495 5.018 ( 4.629 -2.617 11.115) 12.322 5.018 ( 4.629 2.617 11.115) 12.322 5.265 ( -0.640 -5.500 -10.468) 11.842 5.265 ( -0.640 5.500 -10.468) 11.842 5.674 ( 4.225 -3.346 -2.601) 5.984 5.674 ( 4.225 3.346 -2.601) 5.984 6.191 ( -3.746 -1.615 2.196) 4.632 6.191 ( -3.746 1.615 2.196) 4.632 6.803 ( 17.427 -2.101 -0.174) 17.554 6.803 ( 17.427 2.101 -0.174) 17.554 7.467 ( 18.199 -3.222 -2.898) 18.708 7.467 ( 18.199 3.222 -2.898) 18.708 8.058 ( -7.034 -5.323 5.445) 10.367 8.058 ( -7.034 5.323 5.445) 10.367 8.939 ( -12.394 -5.019 -0.823) 13.396 8.939 ( -12.394 5.019 -0.823) 13.396 9.915 ( 7.980 -6.491 1.659) 10.420 9.915 ( 7.980 6.491 1.659) 10.420 9.994 ( 8.889 -5.800 -6.137) 12.260 9.994 ( 8.889 5.800 -6.137) 12.260 10.681 ( -4.125 -3.327 -2.060) 5.686 10.681 ( -4.125 3.327 -2.060) 5.686 11.051 ( -7.080 -2.351 2.102) 7.751 11.051 ( -7.080 2.351 2.102) 7.751 13.314 ( 1.104 -3.271 1.648) 3.826 13.314 ( 1.104 3.271 1.648) 3.826 13.431 ( -5.680 -5.248 2.396) 8.096 13.431 ( -5.680 5.248 2.396) 8.096 13.688 ( -6.354 -6.530 5.354) 10.568 13.688 ( -6.354 6.530 5.354) 10.568 13.855 ( -12.101 -3.108 -11.691) 17.111 13.855 ( -12.101 3.108 -11.691) 17.111 14.285 ( 1.082 -0.519 -0.286) 1.234 14.285 ( 1.082 0.519 -0.286) 1.234 14.765 ( -9.877 -0.857 2.405) 10.202 14.765 ( -9.877 0.857 2.405) 10.202 17.906 ( 7.180 -0.774 10.867) 13.047 17.906 ( 7.180 0.774 10.867) 13.047 18.130 ( 1.306 -0.719 -9.708) 9.822 18.130 ( 1.306 0.719 -9.708) 9.822 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 2.464 -3.946 3.183) 5.637 2.041 ( 2.464 3.946 3.183) 5.637 2.144 ( -0.430 -4.447 -0.094) 4.469 2.144 ( -0.430 4.447 -0.094) 4.469 2.345 ( 5.765 -6.099 4.487) 9.517 2.345 ( 5.765 6.099 4.487) 9.517 2.485 ( 2.079 -4.008 -2.681) 5.251 2.485 ( 2.079 4.008 -2.681) 5.251 2.812 ( 3.038 -4.277 2.456) 5.793 2.812 ( 3.038 4.277 2.456) 5.793 3.054 ( -3.311 -1.843 -5.265) 6.487 3.054 ( -3.311 1.843 -5.265) 6.487 3.509 ( -7.826 -4.538 3.809) 9.816 3.509 ( -7.826 4.538 3.809) 9.816 3.676 ( -14.168 -6.040 -8.326) 17.508 3.676 ( -14.168 6.040 -8.326) 17.508 4.233 ( 10.438 -3.664 1.404) 11.151 4.233 ( 10.438 3.664 1.404) 11.151 4.476 ( 1.824 -3.833 -1.718) 4.580 4.476 ( 1.824 3.833 -1.718) 4.580 5.105 ( 4.107 -2.477 3.464) 5.916 5.105 ( 4.107 2.477 3.464) 5.916 5.243 ( -1.571 -4.666 -6.169) 7.893 5.243 ( -1.571 4.666 -6.169) 7.893 5.786 ( 6.431 -2.195 1.524) 6.964 5.786 ( 6.431 2.195 1.524) 6.964 6.087 ( -6.282 -1.004 2.726) 6.921 6.087 ( -6.282 1.004 2.726) 6.921 7.177 ( 17.874 -1.993 2.618) 18.174 7.177 ( 17.874 1.993 2.618) 18.174 7.780 ( -0.454 -6.556 0.682) 6.607 7.780 ( -0.454 6.556 0.682) 6.607 7.938 ( 7.396 -4.198 0.304) 8.510 7.938 ( 7.396 4.198 0.304) 8.510 8.638 ( -16.039 -6.643 -3.915) 17.796 8.638 ( -16.039 6.643 -3.915) 17.796 10.080 ( 8.104 -3.190 -0.172) 8.711 10.080 ( 8.104 3.190 -0.172) 8.711 10.205 ( 8.852 -2.989 -2.421) 9.652 10.205 ( 8.852 2.989 -2.421) 9.652 10.594 ( -2.805 -2.867 -0.878) 4.106 10.594 ( -2.805 2.867 -0.878) 4.106 10.876 ( -9.554 -1.926 1.997) 9.949 10.876 ( -9.554 1.926 1.997) 9.949 13.264 ( -4.076 -7.560 1.962) 8.810 13.264 ( -4.076 7.560 1.962) 8.810 13.339 ( -4.548 -12.857 -4.494) 14.359 13.339 ( -4.548 12.857 -4.494) 14.359 13.580 ( -2.607 -7.654 -0.748) 8.120 13.580 ( -2.607 7.654 -0.748) 8.120 13.666 ( -5.419 -5.113 -3.141) 8.085 13.666 ( -5.419 5.113 -3.141) 8.085 14.330 ( 3.486 -0.563 0.292) 3.543 14.330 ( 3.486 0.563 0.292) 3.543 14.579 ( -7.986 -0.645 1.416) 8.137 14.579 ( -7.986 0.645 1.416) 8.137 18.033 ( 4.874 -0.548 6.118) 7.841 18.033 ( 4.874 0.548 6.118) 7.841 18.142 ( -0.378 -0.396 -4.966) 4.996 18.142 ( -0.378 0.396 -4.966) 4.996 ======================= Grid point 287 (100/100) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -2.003 -7.360 1.209) 7.723 2.102 ( 1.161 -7.315 1.209) 7.505 2.102 ( -1.161 7.315 1.209) 7.505 2.102 ( 2.003 7.360 1.209) 7.723 2.466 ( -4.340 -5.881 3.537) 8.119 2.466 ( 4.333 -5.880 3.537) 8.115 2.466 ( -4.333 5.880 3.537) 8.115 2.466 ( 4.340 5.881 3.537) 8.119 2.925 ( -5.799 -7.260 -1.439) 9.402 2.925 ( 0.239 -6.657 -1.439) 6.814 2.925 ( -0.239 6.657 -1.439) 6.814 2.925 ( 5.799 7.260 -1.439) 9.402 3.468 ( -4.385 -3.991 -5.293) 7.948 3.468 ( 3.681 -3.809 -5.293) 7.489 3.468 ( -3.681 3.809 -5.293) 7.489 3.468 ( 4.385 3.991 -5.293) 7.948 4.425 ( -3.394 -12.641 0.737) 13.110 4.425 ( 0.360 -12.528 0.737) 12.555 4.425 ( -0.360 12.528 0.737) 12.555 4.425 ( 3.394 12.641 0.737) 13.110 5.190 ( -3.608 -3.054 -2.127) 5.183 5.190 ( 3.534 -3.032 -2.127) 5.119 5.190 ( -3.534 3.032 -2.127) 5.119 5.190 ( 3.608 3.054 -2.127) 5.183 5.936 ( -7.546 -1.193 3.008) 8.211 5.936 ( -7.306 0.728 3.008) 7.934 5.936 ( 7.306 -0.728 3.008) 7.934 5.936 ( 7.546 1.193 3.008) 8.211 7.532 ( -13.795 -7.207 4.809) 16.290 7.532 ( -6.870 -4.020 4.809) 9.300 7.532 ( 6.870 4.020 4.809) 9.300 7.532 ( 13.795 7.207 4.809) 16.290 8.281 ( -17.841 -6.418 -5.309) 19.690 8.281 ( -16.470 5.424 -5.309) 18.134 8.281 ( 16.470 -5.424 -5.309) 18.134 8.281 ( 17.841 6.418 -5.309) 19.690 10.236 ( -4.394 -2.787 -0.910) 5.282 10.236 ( -2.530 -2.132 -0.910) 3.431 10.236 ( 2.530 2.132 -0.910) 3.431 10.236 ( 4.394 2.787 -0.910) 5.282 10.667 ( -9.072 -2.939 0.775) 9.568 10.667 ( -7.276 1.140 0.775) 7.405 10.667 ( 7.276 -1.140 0.775) 7.405 10.667 ( 9.072 2.939 0.775) 9.568 13.243 ( -2.589 -8.124 -3.612) 9.260 13.243 ( 2.570 -8.123 -3.612) 9.254 13.243 ( -2.570 8.123 -3.612) 9.254 13.243 ( 2.589 8.124 -3.612) 9.260 13.590 ( -0.858 -15.283 -0.396) 15.312 13.590 ( 0.515 -15.279 -0.396) 15.293 13.590 ( -0.515 15.279 -0.396) 15.293 13.590 ( 0.858 15.283 -0.396) 15.312 14.431 ( -3.847 -3.815 0.712) 5.465 14.431 ( -2.911 -3.602 0.712) 4.685 14.431 ( 2.911 3.602 0.712) 4.685 14.431 ( 3.847 3.815 0.712) 5.465 18.111 ( -2.549 -0.082 0.561) 2.612 18.111 ( -2.545 -0.021 0.561) 2.606 18.111 ( 2.545 0.021 0.561) 2.606 18.111 ( 2.549 0.082 0.561) 2.612 =================== 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 3/25920 10.0 810.759 856.559 1293.060 0.000 0.000 0.000 3/25920 20.0 104.928 105.120 125.963 0.000 0.000 -0.000 3/25920 30.0 39.351 38.450 45.055 0.000 0.000 -0.000 3/25920 40.0 22.033 21.176 24.842 0.000 0.000 -0.000 3/25920 50.0 14.992 14.213 16.748 0.000 0.000 -0.000 3/25920 60.0 11.371 10.651 12.608 0.000 0.000 -0.000 3/25920 70.0 9.212 8.538 10.145 0.000 0.000 -0.000 3/25920 80.0 7.789 7.154 8.522 0.000 0.000 -0.000 3/25920 90.0 6.779 6.181 7.372 0.000 0.000 -0.000 3/25920 100.0 6.023 5.460 6.512 0.000 0.000 -0.000 3/25920 110.0 5.431 4.903 5.843 0.000 0.000 -0.000 3/25920 120.0 4.955 4.458 5.306 0.000 0.000 -0.000 3/25920 130.0 4.560 4.094 4.865 0.000 0.000 -0.000 3/25920 140.0 4.228 3.790 4.495 0.000 0.000 -0.000 3/25920 150.0 3.943 3.531 4.179 0.000 0.000 -0.000 3/25920 160.0 3.695 3.307 3.907 0.000 0.000 -0.000 3/25920 170.0 3.478 3.112 3.670 0.000 0.000 -0.000 3/25920 180.0 3.286 2.940 3.460 0.000 0.000 -0.000 3/25920 190.0 3.115 2.787 3.274 0.000 0.000 -0.000 3/25920 200.0 2.961 2.649 3.108 0.000 0.000 -0.000 3/25920 210.0 2.822 2.525 2.958 0.000 0.000 -0.000 3/25920 220.0 2.695 2.412 2.822 0.000 0.000 -0.000 3/25920 230.0 2.580 2.310 2.698 0.000 0.000 -0.000 3/25920 240.0 2.474 2.215 2.585 0.000 0.000 -0.000 3/25920 250.0 2.377 2.129 2.482 0.000 0.000 -0.000 3/25920 260.0 2.287 2.049 2.386 0.000 0.000 -0.000 3/25920 270.0 2.204 1.974 2.298 0.000 0.000 -0.000 3/25920 280.0 2.126 1.905 2.215 0.000 0.000 -0.000 3/25920 290.0 2.054 1.841 2.139 0.000 0.000 -0.000 3/25920 300.0 1.987 1.781 2.068 0.000 0.000 -0.000 3/25920 310.0 1.924 1.725 2.001 0.000 0.000 -0.000 3/25920 320.0 1.865 1.672 1.939 0.000 0.000 -0.000 3/25920 330.0 1.809 1.622 1.881 0.000 0.000 -0.000 3/25920 340.0 1.757 1.576 1.825 0.000 0.000 -0.000 3/25920 350.0 1.707 1.532 1.773 0.000 0.000 -0.000 3/25920 360.0 1.660 1.490 1.724 0.000 0.000 -0.000 3/25920 370.0 1.616 1.450 1.678 0.000 0.000 -0.000 3/25920 380.0 1.574 1.413 1.634 0.000 0.000 -0.000 3/25920 390.0 1.534 1.377 1.592 0.000 0.000 -0.000 3/25920 400.0 1.497 1.343 1.553 0.000 0.000 -0.000 3/25920 410.0 1.461 1.311 1.515 0.000 0.000 -0.000 3/25920 420.0 1.426 1.280 1.479 0.000 0.000 -0.000 3/25920 430.0 1.393 1.251 1.445 0.000 0.000 -0.000 3/25920 440.0 1.362 1.223 1.412 0.000 0.000 -0.000 3/25920 450.0 1.332 1.196 1.381 0.000 0.000 -0.000 3/25920 460.0 1.304 1.171 1.351 0.000 0.000 -0.000 3/25920 470.0 1.276 1.146 1.322 0.000 0.000 -0.000 3/25920 480.0 1.250 1.122 1.295 0.000 0.000 -0.000 3/25920 490.0 1.225 1.100 1.269 0.000 0.000 -0.000 3/25920 500.0 1.200 1.078 1.243 0.000 0.000 -0.000 3/25920 510.0 1.177 1.057 1.219 0.000 0.000 -0.000 3/25920 520.0 1.155 1.037 1.196 0.000 0.000 -0.000 3/25920 530.0 1.133 1.018 1.173 0.000 0.000 -0.000 3/25920 540.0 1.112 0.999 1.152 0.000 0.000 -0.000 3/25920 550.0 1.092 0.981 1.131 0.000 0.000 -0.000 3/25920 560.0 1.073 0.964 1.111 0.000 0.000 -0.000 3/25920 570.0 1.054 0.947 1.091 0.000 0.000 -0.000 3/25920 580.0 1.036 0.931 1.073 0.000 0.000 -0.000 3/25920 590.0 1.019 0.915 1.054 0.000 0.000 -0.000 3/25920 600.0 1.002 0.900 1.037 0.000 0.000 -0.000 3/25920 610.0 0.986 0.886 1.020 0.000 0.000 -0.000 3/25920 620.0 0.970 0.871 1.004 0.000 0.000 -0.000 3/25920 630.0 0.955 0.858 0.988 0.000 0.000 -0.000 3/25920 640.0 0.940 0.844 0.972 0.000 0.000 -0.000 3/25920 650.0 0.925 0.832 0.957 0.000 0.000 -0.000 3/25920 660.0 0.911 0.819 0.943 0.000 0.000 -0.000 3/25920 670.0 0.898 0.807 0.929 0.000 0.000 -0.000 3/25920 680.0 0.885 0.795 0.915 0.000 0.000 -0.000 3/25920 690.0 0.872 0.784 0.902 0.000 0.000 -0.000 3/25920 700.0 0.860 0.773 0.889 0.000 0.000 -0.000 3/25920 710.0 0.848 0.762 0.877 0.000 0.000 -0.000 3/25920 720.0 0.836 0.751 0.865 0.000 0.000 -0.000 3/25920 730.0 0.825 0.741 0.853 0.000 0.000 -0.000 3/25920 740.0 0.813 0.731 0.841 0.000 0.000 -0.000 3/25920 750.0 0.803 0.721 0.830 0.000 0.000 -0.000 3/25920 760.0 0.792 0.712 0.819 0.000 0.000 -0.000 3/25920 770.0 0.782 0.703 0.809 0.000 0.000 -0.000 3/25920 780.0 0.772 0.694 0.798 0.000 0.000 -0.000 3/25920 790.0 0.762 0.685 0.788 0.000 0.000 -0.000 3/25920 800.0 0.753 0.677 0.778 0.000 0.000 -0.000 3/25920 810.0 0.744 0.668 0.769 0.000 0.000 -0.000 3/25920 820.0 0.734 0.660 0.759 0.000 0.000 -0.000 3/25920 830.0 0.726 0.652 0.750 0.000 0.000 -0.000 3/25920 840.0 0.717 0.645 0.741 0.000 0.000 -0.000 3/25920 850.0 0.709 0.637 0.733 0.000 0.000 -0.000 3/25920 860.0 0.700 0.630 0.724 0.000 0.000 -0.000 3/25920 870.0 0.692 0.622 0.716 0.000 0.000 -0.000 3/25920 880.0 0.685 0.615 0.708 0.000 0.000 -0.000 3/25920 890.0 0.677 0.608 0.700 0.000 0.000 -0.000 3/25920 900.0 0.669 0.602 0.692 0.000 0.000 -0.000 3/25920 910.0 0.662 0.595 0.684 0.000 0.000 -0.000 3/25920 920.0 0.655 0.589 0.677 0.000 0.000 -0.000 3/25920 930.0 0.648 0.582 0.670 0.000 0.000 -0.000 3/25920 940.0 0.641 0.576 0.663 0.000 0.000 -0.000 3/25920 950.0 0.634 0.570 0.656 0.000 0.000 -0.000 3/25920 960.0 0.628 0.564 0.649 0.000 0.000 -0.000 3/25920 970.0 0.621 0.559 0.642 0.000 0.000 -0.000 3/25920 980.0 0.615 0.553 0.636 0.000 0.000 -0.000 3/25920 990.0 0.609 0.547 0.629 0.000 0.000 -0.000 3/25920 1000.0 0.603 0.542 0.623 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m869.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:17:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|