----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:54:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.691530435000000 2.691530435000000 5.773331025000000 b 2.691530435000000 -2.691530435000000 5.773331025000000 c 2.691530435000000 2.691530435000000 -5.773331025000000 Atomic positions (fractional): *1 O 0.95009089732575 0.31692994464663 0.09563321724054 15.999 2 O 0.60445768008522 0.20009089732575 0.13316095267913 15.999 3 O 0.06692994464663 0.47129672740609 0.86683904732087 15.999 4 O 0.22129672740609 0.85445768008522 0.90436678275946 15.999 5 O 0.52870327259391 0.39554231991478 0.59563321724054 15.999 6 O 0.68307005535337 0.77870327259391 0.63316095267913 15.999 7 O 0.14554231991478 0.04990910267425 0.36683904732087 15.999 8 O 0.79990910267425 0.93307005535337 0.40436678275946 15.999 *9 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 10 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *11 Re 0.75000000000000 0.25000000000000 0.50000000000000 186.207 12 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.383060870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.383060870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.546662050000000 Atomic positions (fractional): *1 O 0.23123613228070 0.86439708495983 0.08569381236592 15.999 > 1 2 O 0.86439708495983 0.26876386771930 0.33569381236592 15.999 > 2 3 O 0.13560291504017 0.73123613228071 0.33569381236592 15.999 > 3 4 O 0.76876386771929 0.13560291504017 0.08569381236592 15.999 > 4 5 O 0.23123613228070 0.36439708495983 0.16430618763408 15.999 > 5 6 O 0.36439708495983 0.26876386771930 0.41430618763408 15.999 > 6 7 O 0.63560291504017 0.73123613228071 0.41430618763408 15.999 > 7 8 O 0.76876386771929 0.63560291504017 0.16430618763408 15.999 > 8 9 O 0.73123613228071 0.36439708495983 0.58569381236592 15.999 > 1 10 O 0.36439708495983 0.76876386771929 0.83569381236592 15.999 > 2 11 O 0.63560291504017 0.23123613228070 0.83569381236592 15.999 > 3 12 O 0.26876386771930 0.63560291504017 0.58569381236592 15.999 > 4 13 O 0.73123613228071 0.86439708495983 0.66430618763408 15.999 > 5 14 O 0.86439708495983 0.76876386771929 0.91430618763408 15.999 > 6 15 O 0.13560291504017 0.23123613228070 0.91430618763408 15.999 > 7 16 O 0.26876386771930 0.13560291504017 0.66430618763408 15.999 > 8 *17 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 9 18 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 10 19 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 9 20 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 10 *21 Re 0.00000000000000 0.50000000000000 0.25000000000000 186.207 > 11 22 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 12 23 Re 0.50000000000000 0.00000000000000 0.75000000000000 186.207 > 11 24 Re 0.50000000000000 0.50000000000000 0.50000000000000 186.207 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.766121740000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.766121740000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.546662050000000 Atomic positions (fractional): *1 O 0.11561806614035 0.43219854247992 0.08569381236592 15.999 > 1 2 O 0.61561806614035 0.43219854247992 0.08569381236592 15.999 > 1 3 O 0.11561806614035 0.93219854247992 0.08569381236592 15.999 > 1 4 O 0.61561806614035 0.93219854247992 0.08569381236592 15.999 > 1 5 O 0.43219854247992 0.13438193385965 0.33569381236592 15.999 > 2 6 O 0.93219854247992 0.13438193385965 0.33569381236592 15.999 > 2 7 O 0.43219854247992 0.63438193385965 0.33569381236592 15.999 > 2 8 O 0.93219854247992 0.63438193385965 0.33569381236592 15.999 > 2 9 O 0.06780145752008 0.36561806614035 0.33569381236592 15.999 > 3 10 O 0.56780145752008 0.36561806614035 0.33569381236592 15.999 > 3 11 O 0.06780145752008 0.86561806614035 0.33569381236592 15.999 > 3 12 O 0.56780145752008 0.86561806614035 0.33569381236592 15.999 > 3 13 O 0.38438193385965 0.06780145752008 0.08569381236592 15.999 > 4 14 O 0.88438193385965 0.06780145752008 0.08569381236592 15.999 > 4 15 O 0.38438193385965 0.56780145752008 0.08569381236592 15.999 > 4 16 O 0.88438193385965 0.56780145752008 0.08569381236592 15.999 > 4 17 O 0.11561806614035 0.18219854247992 0.16430618763408 15.999 > 5 18 O 0.61561806614035 0.18219854247992 0.16430618763408 15.999 > 5 19 O 0.11561806614035 0.68219854247992 0.16430618763408 15.999 > 5 20 O 0.61561806614035 0.68219854247992 0.16430618763408 15.999 > 5 21 O 0.18219854247992 0.13438193385965 0.41430618763408 15.999 > 6 22 O 0.68219854247992 0.13438193385965 0.41430618763408 15.999 > 6 23 O 0.18219854247992 0.63438193385965 0.41430618763408 15.999 > 6 24 O 0.68219854247992 0.63438193385965 0.41430618763408 15.999 > 6 25 O 0.31780145752008 0.36561806614035 0.41430618763408 15.999 > 7 26 O 0.81780145752008 0.36561806614035 0.41430618763408 15.999 > 7 27 O 0.31780145752008 0.86561806614035 0.41430618763408 15.999 > 7 28 O 0.81780145752008 0.86561806614035 0.41430618763408 15.999 > 7 29 O 0.38438193385965 0.31780145752008 0.16430618763408 15.999 > 8 30 O 0.88438193385965 0.31780145752008 0.16430618763408 15.999 > 8 31 O 0.38438193385965 0.81780145752008 0.16430618763408 15.999 > 8 32 O 0.88438193385965 0.81780145752008 0.16430618763408 15.999 > 8 33 O 0.36561806614035 0.18219854247992 0.58569381236592 15.999 > 1 34 O 0.86561806614035 0.18219854247992 0.58569381236592 15.999 > 1 35 O 0.36561806614035 0.68219854247992 0.58569381236592 15.999 > 1 36 O 0.86561806614035 0.68219854247992 0.58569381236592 15.999 > 1 37 O 0.18219854247992 0.38438193385965 0.83569381236592 15.999 > 2 38 O 0.68219854247992 0.38438193385965 0.83569381236592 15.999 > 2 39 O 0.18219854247992 0.88438193385965 0.83569381236592 15.999 > 2 40 O 0.68219854247992 0.88438193385965 0.83569381236592 15.999 > 2 41 O 0.31780145752008 0.11561806614035 0.83569381236592 15.999 > 3 42 O 0.81780145752008 0.11561806614035 0.83569381236592 15.999 > 3 43 O 0.31780145752008 0.61561806614035 0.83569381236592 15.999 > 3 44 O 0.81780145752008 0.61561806614035 0.83569381236592 15.999 > 3 45 O 0.13438193385965 0.31780145752008 0.58569381236592 15.999 > 4 46 O 0.63438193385965 0.31780145752008 0.58569381236592 15.999 > 4 47 O 0.13438193385965 0.81780145752008 0.58569381236592 15.999 > 4 48 O 0.63438193385965 0.81780145752008 0.58569381236592 15.999 > 4 49 O 0.36561806614035 0.43219854247992 0.66430618763408 15.999 > 5 50 O 0.86561806614035 0.43219854247992 0.66430618763408 15.999 > 5 51 O 0.36561806614035 0.93219854247992 0.66430618763408 15.999 > 5 52 O 0.86561806614035 0.93219854247992 0.66430618763408 15.999 > 5 53 O 0.43219854247992 0.38438193385965 0.91430618763408 15.999 > 6 54 O 0.93219854247992 0.38438193385965 0.91430618763408 15.999 > 6 55 O 0.43219854247992 0.88438193385965 0.91430618763408 15.999 > 6 56 O 0.93219854247992 0.88438193385965 0.91430618763408 15.999 > 6 57 O 0.06780145752008 0.11561806614035 0.91430618763408 15.999 > 7 58 O 0.56780145752008 0.11561806614035 0.91430618763408 15.999 > 7 59 O 0.06780145752008 0.61561806614035 0.91430618763408 15.999 > 7 60 O 0.56780145752008 0.61561806614035 0.91430618763408 15.999 > 7 61 O 0.13438193385965 0.06780145752008 0.66430618763408 15.999 > 8 62 O 0.63438193385965 0.06780145752008 0.66430618763408 15.999 > 8 63 O 0.13438193385965 0.56780145752008 0.66430618763408 15.999 > 8 64 O 0.63438193385965 0.56780145752008 0.66430618763408 15.999 > 8 *65 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 9 66 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 9 67 Na 0.25000000000000 0.50000000000000 0.25000000000000 22.990 > 9 68 Na 0.75000000000000 0.50000000000000 0.25000000000000 22.990 > 9 69 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 10 70 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 10 71 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 10 72 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 10 73 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 9 74 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 9 75 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 9 76 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 9 77 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 10 78 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 10 79 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 10 80 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 10 *81 Re 0.00000000000000 0.25000000000000 0.25000000000000 186.207 > 11 82 Re 0.50000000000000 0.25000000000000 0.25000000000000 186.207 > 11 83 Re 0.00000000000000 0.75000000000000 0.25000000000000 186.207 > 11 84 Re 0.50000000000000 0.75000000000000 0.25000000000000 186.207 > 11 85 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 12 86 Re 0.50000000000000 0.00000000000000 0.00000000000000 186.207 > 12 87 Re 0.00000000000000 0.50000000000000 0.00000000000000 186.207 > 12 88 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 > 12 89 Re 0.25000000000000 0.00000000000000 0.75000000000000 186.207 > 11 90 Re 0.75000000000000 0.00000000000000 0.75000000000000 186.207 > 11 91 Re 0.25000000000000 0.50000000000000 0.75000000000000 186.207 > 11 92 Re 0.75000000000000 0.50000000000000 0.75000000000000 186.207 > 11 93 Re 0.25000000000000 0.25000000000000 0.50000000000000 186.207 > 12 94 Re 0.75000000000000 0.25000000000000 0.50000000000000 186.207 > 12 95 Re 0.25000000000000 0.75000000000000 0.50000000000000 186.207 > 12 96 Re 0.75000000000000 0.75000000000000 0.50000000000000 186.207 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 282.1843531 0.1165673 0.0000000 -0.1165673 282.1843531 0.0000000 0.0000000 0.0000000 76.0182177 -------------------------- Born effective charges -------------------------- 1 O -6.5115201 1.1461069 -3.4484927 10.4380251 -7.2760223 10.2786568 0.2019967 0.8506548 -1.1967562 2 O -7.2760223 -10.4380251 10.2786568 -1.1461069 -6.5115201 3.4484927 0.8506548 -0.2019967 -1.1967562 3 O -7.2760223 -10.4380251 -10.2786568 -1.1461069 -6.5115201 -3.4484927 -0.8506548 0.2019967 -1.1967562 4 O -6.5115201 1.1461069 3.4484927 10.4380251 -7.2760223 -10.2786568 -0.2019967 -0.8506548 -1.1967562 5 O -6.5115201 1.1461069 3.4484927 10.4380251 -7.2760223 -10.2786568 -0.2019967 -0.8506548 -1.1967562 6 O -7.2760223 -10.4380251 -10.2786568 -1.1461069 -6.5115201 -3.4484927 -0.8506548 0.2019967 -1.1967562 7 O -7.2760223 -10.4380251 10.2786568 -1.1461069 -6.5115201 3.4484927 0.8506548 -0.2019967 -1.1967562 8 O -6.5115201 1.1461069 -3.4484927 10.4380251 -7.2760223 10.2786568 0.2019967 0.8506548 -1.1967562 9 Na 0.4054161 -1.4124403 0.0000000 1.4124403 0.4054161 0.0000000 -0.0000000 0.0000000 1.2842765 10 Na 0.4054161 -1.4124403 0.0000000 1.4124403 0.4054161 0.0000000 -0.0000000 0.0000000 1.2842765 11 Re 27.1696688 19.9962768 0.0000000 -19.9962768 27.1696688 0.0000000 -0.0000000 0.0000000 3.5027482 12 Re 27.1696688 19.9962768 0.0000000 -19.9962768 27.1696688 0.0000000 -0.0000000 0.0000000 3.5027482 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.552 Solver_block: 200 / 240 - Time: 0.550 Solver_block: 240 / 240 - Time: 0.290 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.532 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:54:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:54:34]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.691530435000000 2.691530435000000 5.773331025000000 b 2.691530435000000 -2.691530435000000 5.773331025000000 c 2.691530435000000 2.691530435000000 -5.773331025000000 Atomic positions (fractional): 1 O 0.95009089732575 0.31692994464663 0.09563321724054 15.999 2 O 0.60445768008522 0.20009089732575 0.13316095267913 15.999 3 O 0.06692994464663 0.47129672740609 0.86683904732087 15.999 4 O 0.22129672740609 0.85445768008522 0.90436678275946 15.999 5 O 0.52870327259391 0.39554231991478 0.59563321724054 15.999 6 O 0.68307005535337 0.77870327259391 0.63316095267913 15.999 7 O 0.14554231991478 0.04990910267425 0.36683904732087 15.999 8 O 0.79990910267425 0.93307005535337 0.40436678275946 15.999 9 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 10 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 11 Re 0.75000000000000 0.25000000000000 0.50000000000000 186.207 12 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.766121740000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.766121740000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.546662050000000 Atomic positions (fractional): 1 O 0.11561806614035 0.43219854247992 0.08569381236592 15.999 > 1 2 O 0.61561806614035 0.43219854247992 0.08569381236592 15.999 > 1 3 O 0.11561806614035 0.93219854247992 0.08569381236592 15.999 > 1 4 O 0.61561806614035 0.93219854247992 0.08569381236592 15.999 > 1 5 O 0.43219854247992 0.13438193385965 0.33569381236592 15.999 > 5 6 O 0.93219854247992 0.13438193385965 0.33569381236592 15.999 > 5 7 O 0.43219854247992 0.63438193385965 0.33569381236592 15.999 > 5 8 O 0.93219854247992 0.63438193385965 0.33569381236592 15.999 > 5 9 O 0.06780145752008 0.36561806614035 0.33569381236592 15.999 > 9 10 O 0.56780145752008 0.36561806614035 0.33569381236592 15.999 > 9 11 O 0.06780145752008 0.86561806614035 0.33569381236592 15.999 > 9 12 O 0.56780145752008 0.86561806614035 0.33569381236592 15.999 > 9 13 O 0.38438193385965 0.06780145752008 0.08569381236592 15.999 > 13 14 O 0.88438193385965 0.06780145752008 0.08569381236592 15.999 > 13 15 O 0.38438193385965 0.56780145752008 0.08569381236592 15.999 > 13 16 O 0.88438193385965 0.56780145752008 0.08569381236592 15.999 > 13 17 O 0.11561806614035 0.18219854247992 0.16430618763408 15.999 > 17 18 O 0.61561806614035 0.18219854247992 0.16430618763408 15.999 > 17 19 O 0.11561806614035 0.68219854247992 0.16430618763408 15.999 > 17 20 O 0.61561806614035 0.68219854247992 0.16430618763408 15.999 > 17 21 O 0.18219854247992 0.13438193385965 0.41430618763408 15.999 > 21 22 O 0.68219854247992 0.13438193385965 0.41430618763408 15.999 > 21 23 O 0.18219854247992 0.63438193385965 0.41430618763408 15.999 > 21 24 O 0.68219854247992 0.63438193385965 0.41430618763408 15.999 > 21 25 O 0.31780145752008 0.36561806614035 0.41430618763408 15.999 > 25 26 O 0.81780145752008 0.36561806614035 0.41430618763408 15.999 > 25 27 O 0.31780145752008 0.86561806614035 0.41430618763408 15.999 > 25 28 O 0.81780145752008 0.86561806614035 0.41430618763408 15.999 > 25 29 O 0.38438193385965 0.31780145752008 0.16430618763408 15.999 > 29 30 O 0.88438193385965 0.31780145752008 0.16430618763408 15.999 > 29 31 O 0.38438193385965 0.81780145752008 0.16430618763408 15.999 > 29 32 O 0.88438193385965 0.81780145752008 0.16430618763408 15.999 > 29 33 O 0.36561806614035 0.18219854247992 0.58569381236592 15.999 > 1 34 O 0.86561806614035 0.18219854247992 0.58569381236592 15.999 > 1 35 O 0.36561806614035 0.68219854247992 0.58569381236592 15.999 > 1 36 O 0.86561806614035 0.68219854247992 0.58569381236592 15.999 > 1 37 O 0.18219854247992 0.38438193385965 0.83569381236592 15.999 > 5 38 O 0.68219854247992 0.38438193385965 0.83569381236592 15.999 > 5 39 O 0.18219854247992 0.88438193385965 0.83569381236592 15.999 > 5 40 O 0.68219854247992 0.88438193385965 0.83569381236592 15.999 > 5 41 O 0.31780145752008 0.11561806614035 0.83569381236592 15.999 > 9 42 O 0.81780145752008 0.11561806614035 0.83569381236592 15.999 > 9 43 O 0.31780145752008 0.61561806614035 0.83569381236592 15.999 > 9 44 O 0.81780145752008 0.61561806614035 0.83569381236592 15.999 > 9 45 O 0.13438193385965 0.31780145752008 0.58569381236592 15.999 > 13 46 O 0.63438193385965 0.31780145752008 0.58569381236592 15.999 > 13 47 O 0.13438193385965 0.81780145752008 0.58569381236592 15.999 > 13 48 O 0.63438193385965 0.81780145752008 0.58569381236592 15.999 > 13 49 O 0.36561806614035 0.43219854247992 0.66430618763408 15.999 > 17 50 O 0.86561806614035 0.43219854247992 0.66430618763408 15.999 > 17 51 O 0.36561806614035 0.93219854247992 0.66430618763408 15.999 > 17 52 O 0.86561806614035 0.93219854247992 0.66430618763408 15.999 > 17 53 O 0.43219854247992 0.38438193385965 0.91430618763408 15.999 > 21 54 O 0.93219854247992 0.38438193385965 0.91430618763408 15.999 > 21 55 O 0.43219854247992 0.88438193385965 0.91430618763408 15.999 > 21 56 O 0.93219854247992 0.88438193385965 0.91430618763408 15.999 > 21 57 O 0.06780145752008 0.11561806614035 0.91430618763408 15.999 > 25 58 O 0.56780145752008 0.11561806614035 0.91430618763408 15.999 > 25 59 O 0.06780145752008 0.61561806614035 0.91430618763408 15.999 > 25 60 O 0.56780145752008 0.61561806614035 0.91430618763408 15.999 > 25 61 O 0.13438193385965 0.06780145752008 0.66430618763408 15.999 > 29 62 O 0.63438193385965 0.06780145752008 0.66430618763408 15.999 > 29 63 O 0.13438193385965 0.56780145752008 0.66430618763408 15.999 > 29 64 O 0.63438193385965 0.56780145752008 0.66430618763408 15.999 > 29 65 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 65 67 Na 0.25000000000000 0.50000000000000 0.25000000000000 22.990 > 65 68 Na 0.75000000000000 0.50000000000000 0.25000000000000 22.990 > 65 69 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 69 70 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 69 71 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 69 72 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 69 73 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 65 74 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 65 75 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 65 76 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 65 77 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 69 78 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 69 79 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 69 80 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 69 81 Re 0.00000000000000 0.25000000000000 0.25000000000000 186.207 > 81 82 Re 0.50000000000000 0.25000000000000 0.25000000000000 186.207 > 81 83 Re 0.00000000000000 0.75000000000000 0.25000000000000 186.207 > 81 84 Re 0.50000000000000 0.75000000000000 0.25000000000000 186.207 > 81 85 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 85 86 Re 0.50000000000000 0.00000000000000 0.00000000000000 186.207 > 85 87 Re 0.00000000000000 0.50000000000000 0.00000000000000 186.207 > 85 88 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 > 85 89 Re 0.25000000000000 0.00000000000000 0.75000000000000 186.207 > 81 90 Re 0.75000000000000 0.00000000000000 0.75000000000000 186.207 > 81 91 Re 0.25000000000000 0.50000000000000 0.75000000000000 186.207 > 81 92 Re 0.75000000000000 0.50000000000000 0.75000000000000 186.207 > 81 93 Re 0.25000000000000 0.25000000000000 0.50000000000000 186.207 > 85 94 Re 0.75000000000000 0.25000000000000 0.50000000000000 186.207 > 85 95 Re 0.25000000000000 0.75000000000000 0.50000000000000 186.207 > 85 96 Re 0.75000000000000 0.75000000000000 0.50000000000000 186.207 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 282.1843531 0.1165673 0.0000000 -0.1165673 282.1843531 0.0000000 0.0000000 0.0000000 76.0182177 -------------------------- Born effective charges -------------------------- 1 O -6.5115201 1.1461069 -3.4484927 10.4380251 -7.2760223 10.2786568 0.2019967 0.8506548 -1.1967562 2 O -7.2760223 -10.4380251 10.2786568 -1.1461069 -6.5115201 3.4484927 0.8506548 -0.2019967 -1.1967562 3 O -7.2760223 -10.4380251 -10.2786568 -1.1461069 -6.5115201 -3.4484927 -0.8506548 0.2019967 -1.1967562 4 O -6.5115201 1.1461069 3.4484927 10.4380251 -7.2760223 -10.2786568 -0.2019967 -0.8506548 -1.1967562 5 O -6.5115201 1.1461069 3.4484927 10.4380251 -7.2760223 -10.2786568 -0.2019967 -0.8506548 -1.1967562 6 O -7.2760223 -10.4380251 -10.2786568 -1.1461069 -6.5115201 -3.4484927 -0.8506548 0.2019967 -1.1967562 7 O -7.2760223 -10.4380251 10.2786568 -1.1461069 -6.5115201 3.4484927 0.8506548 -0.2019967 -1.1967562 8 O -6.5115201 1.1461069 -3.4484927 10.4380251 -7.2760223 10.2786568 0.2019967 0.8506548 -1.1967562 9 Na 0.4054161 -1.4124403 0.0000000 1.4124403 0.4054161 0.0000000 -0.0000000 0.0000000 1.2842765 10 Na 0.4054161 -1.4124403 0.0000000 1.4124403 0.4054161 0.0000000 -0.0000000 0.0000000 1.2842765 11 Re 27.1696688 19.9962768 0.0000000 -19.9962768 27.1696688 0.0000000 -0.0000000 0.0000000 3.5027482 12 Re 27.1696688 19.9962768 0.0000000 -19.9962768 27.1696688 0.0000000 -0.0000000 0.0000000 3.5027482 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000003 (xzy) -0.00000003 (xzy) -0.00000003 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000007 (yx) 0.00000007 (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 2026-01-07 20:54:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:54:43]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.691530435000000 2.691530435000000 5.773331025000000 b 2.691530435000000 -2.691530435000000 5.773331025000000 c 2.691530435000000 2.691530435000000 -5.773331025000000 Atomic positions (fractional): 1 O 0.95009089732575 0.31692994464663 0.09563321724054 15.999 2 O 0.60445768008522 0.20009089732575 0.13316095267913 15.999 3 O 0.06692994464663 0.47129672740609 0.86683904732087 15.999 4 O 0.22129672740609 0.85445768008522 0.90436678275946 15.999 5 O 0.52870327259391 0.39554231991478 0.59563321724054 15.999 6 O 0.68307005535337 0.77870327259391 0.63316095267913 15.999 7 O 0.14554231991478 0.04990910267425 0.36683904732087 15.999 8 O 0.79990910267425 0.93307005535337 0.40436678275946 15.999 9 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 10 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 11 Re 0.75000000000000 0.25000000000000 0.50000000000000 186.207 12 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.766121740000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.766121740000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.546662050000000 Atomic positions (fractional): 1 O 0.11561806614035 0.43219854247992 0.08569381236592 15.999 > 1 2 O 0.61561806614035 0.43219854247992 0.08569381236592 15.999 > 1 3 O 0.11561806614035 0.93219854247992 0.08569381236592 15.999 > 1 4 O 0.61561806614035 0.93219854247992 0.08569381236592 15.999 > 1 5 O 0.43219854247992 0.13438193385965 0.33569381236592 15.999 > 5 6 O 0.93219854247992 0.13438193385965 0.33569381236592 15.999 > 5 7 O 0.43219854247992 0.63438193385965 0.33569381236592 15.999 > 5 8 O 0.93219854247992 0.63438193385965 0.33569381236592 15.999 > 5 9 O 0.06780145752008 0.36561806614035 0.33569381236592 15.999 > 9 10 O 0.56780145752008 0.36561806614035 0.33569381236592 15.999 > 9 11 O 0.06780145752008 0.86561806614035 0.33569381236592 15.999 > 9 12 O 0.56780145752008 0.86561806614035 0.33569381236592 15.999 > 9 13 O 0.38438193385965 0.06780145752008 0.08569381236592 15.999 > 13 14 O 0.88438193385965 0.06780145752008 0.08569381236592 15.999 > 13 15 O 0.38438193385965 0.56780145752008 0.08569381236592 15.999 > 13 16 O 0.88438193385965 0.56780145752008 0.08569381236592 15.999 > 13 17 O 0.11561806614035 0.18219854247992 0.16430618763408 15.999 > 17 18 O 0.61561806614035 0.18219854247992 0.16430618763408 15.999 > 17 19 O 0.11561806614035 0.68219854247992 0.16430618763408 15.999 > 17 20 O 0.61561806614035 0.68219854247992 0.16430618763408 15.999 > 17 21 O 0.18219854247992 0.13438193385965 0.41430618763408 15.999 > 21 22 O 0.68219854247992 0.13438193385965 0.41430618763408 15.999 > 21 23 O 0.18219854247992 0.63438193385965 0.41430618763408 15.999 > 21 24 O 0.68219854247992 0.63438193385965 0.41430618763408 15.999 > 21 25 O 0.31780145752008 0.36561806614035 0.41430618763408 15.999 > 25 26 O 0.81780145752008 0.36561806614035 0.41430618763408 15.999 > 25 27 O 0.31780145752008 0.86561806614035 0.41430618763408 15.999 > 25 28 O 0.81780145752008 0.86561806614035 0.41430618763408 15.999 > 25 29 O 0.38438193385965 0.31780145752008 0.16430618763408 15.999 > 29 30 O 0.88438193385965 0.31780145752008 0.16430618763408 15.999 > 29 31 O 0.38438193385965 0.81780145752008 0.16430618763408 15.999 > 29 32 O 0.88438193385965 0.81780145752008 0.16430618763408 15.999 > 29 33 O 0.36561806614035 0.18219854247992 0.58569381236592 15.999 > 1 34 O 0.86561806614035 0.18219854247992 0.58569381236592 15.999 > 1 35 O 0.36561806614035 0.68219854247992 0.58569381236592 15.999 > 1 36 O 0.86561806614035 0.68219854247992 0.58569381236592 15.999 > 1 37 O 0.18219854247992 0.38438193385965 0.83569381236592 15.999 > 5 38 O 0.68219854247992 0.38438193385965 0.83569381236592 15.999 > 5 39 O 0.18219854247992 0.88438193385965 0.83569381236592 15.999 > 5 40 O 0.68219854247992 0.88438193385965 0.83569381236592 15.999 > 5 41 O 0.31780145752008 0.11561806614035 0.83569381236592 15.999 > 9 42 O 0.81780145752008 0.11561806614035 0.83569381236592 15.999 > 9 43 O 0.31780145752008 0.61561806614035 0.83569381236592 15.999 > 9 44 O 0.81780145752008 0.61561806614035 0.83569381236592 15.999 > 9 45 O 0.13438193385965 0.31780145752008 0.58569381236592 15.999 > 13 46 O 0.63438193385965 0.31780145752008 0.58569381236592 15.999 > 13 47 O 0.13438193385965 0.81780145752008 0.58569381236592 15.999 > 13 48 O 0.63438193385965 0.81780145752008 0.58569381236592 15.999 > 13 49 O 0.36561806614035 0.43219854247992 0.66430618763408 15.999 > 17 50 O 0.86561806614035 0.43219854247992 0.66430618763408 15.999 > 17 51 O 0.36561806614035 0.93219854247992 0.66430618763408 15.999 > 17 52 O 0.86561806614035 0.93219854247992 0.66430618763408 15.999 > 17 53 O 0.43219854247992 0.38438193385965 0.91430618763408 15.999 > 21 54 O 0.93219854247992 0.38438193385965 0.91430618763408 15.999 > 21 55 O 0.43219854247992 0.88438193385965 0.91430618763408 15.999 > 21 56 O 0.93219854247992 0.88438193385965 0.91430618763408 15.999 > 21 57 O 0.06780145752008 0.11561806614035 0.91430618763408 15.999 > 25 58 O 0.56780145752008 0.11561806614035 0.91430618763408 15.999 > 25 59 O 0.06780145752008 0.61561806614035 0.91430618763408 15.999 > 25 60 O 0.56780145752008 0.61561806614035 0.91430618763408 15.999 > 25 61 O 0.13438193385965 0.06780145752008 0.66430618763408 15.999 > 29 62 O 0.63438193385965 0.06780145752008 0.66430618763408 15.999 > 29 63 O 0.13438193385965 0.56780145752008 0.66430618763408 15.999 > 29 64 O 0.63438193385965 0.56780145752008 0.66430618763408 15.999 > 29 65 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 65 67 Na 0.25000000000000 0.50000000000000 0.25000000000000 22.990 > 65 68 Na 0.75000000000000 0.50000000000000 0.25000000000000 22.990 > 65 69 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 69 70 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 69 71 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 69 72 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 69 73 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 65 74 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 65 75 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 65 76 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 65 77 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 69 78 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 69 79 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 69 80 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 69 81 Re 0.00000000000000 0.25000000000000 0.25000000000000 186.207 > 81 82 Re 0.50000000000000 0.25000000000000 0.25000000000000 186.207 > 81 83 Re 0.00000000000000 0.75000000000000 0.25000000000000 186.207 > 81 84 Re 0.50000000000000 0.75000000000000 0.25000000000000 186.207 > 81 85 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 85 86 Re 0.50000000000000 0.00000000000000 0.00000000000000 186.207 > 85 87 Re 0.00000000000000 0.50000000000000 0.00000000000000 186.207 > 85 88 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 > 85 89 Re 0.25000000000000 0.00000000000000 0.75000000000000 186.207 > 81 90 Re 0.75000000000000 0.00000000000000 0.75000000000000 186.207 > 81 91 Re 0.25000000000000 0.50000000000000 0.75000000000000 186.207 > 81 92 Re 0.75000000000000 0.50000000000000 0.75000000000000 186.207 > 81 93 Re 0.25000000000000 0.25000000000000 0.50000000000000 186.207 > 85 94 Re 0.75000000000000 0.25000000000000 0.50000000000000 186.207 > 85 95 Re 0.25000000000000 0.75000000000000 0.50000000000000 186.207 > 85 96 Re 0.75000000000000 0.75000000000000 0.50000000000000 186.207 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 282.1843531 0.1165673 0.0000000 -0.1165673 282.1843531 0.0000000 0.0000000 0.0000000 76.0182177 -------------------------- Born effective charges -------------------------- 1 O -6.5115201 1.1461069 -3.4484927 10.4380251 -7.2760223 10.2786568 0.2019967 0.8506548 -1.1967562 2 O -7.2760223 -10.4380251 10.2786568 -1.1461069 -6.5115201 3.4484927 0.8506548 -0.2019967 -1.1967562 3 O -7.2760223 -10.4380251 -10.2786568 -1.1461069 -6.5115201 -3.4484927 -0.8506548 0.2019967 -1.1967562 4 O -6.5115201 1.1461069 3.4484927 10.4380251 -7.2760223 -10.2786568 -0.2019967 -0.8506548 -1.1967562 5 O -6.5115201 1.1461069 3.4484927 10.4380251 -7.2760223 -10.2786568 -0.2019967 -0.8506548 -1.1967562 6 O -7.2760223 -10.4380251 -10.2786568 -1.1461069 -6.5115201 -3.4484927 -0.8506548 0.2019967 -1.1967562 7 O -7.2760223 -10.4380251 10.2786568 -1.1461069 -6.5115201 3.4484927 0.8506548 -0.2019967 -1.1967562 8 O -6.5115201 1.1461069 -3.4484927 10.4380251 -7.2760223 10.2786568 0.2019967 0.8506548 -1.1967562 9 Na 0.4054161 -1.4124403 0.0000000 1.4124403 0.4054161 0.0000000 -0.0000000 0.0000000 1.2842765 10 Na 0.4054161 -1.4124403 0.0000000 1.4124403 0.4054161 0.0000000 -0.0000000 0.0000000 1.2842765 11 Re 27.1696688 19.9962768 0.0000000 -19.9962768 27.1696688 0.0000000 -0.0000000 0.0000000 3.5027482 12 Re 27.1696688 19.9962768 0.0000000 -19.9962768 27.1696688 0.0000000 -0.0000000 0.0000000 3.5027482 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xzy) -0.00000003 (xzy) -0.00000003 (xyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... Generalized regular grid: [ 1 9 72 ] Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 4 4 0 ] 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: 0.75, Number of G-points: 297, Lambda: 1.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 105 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 2.193 ( 0.000 0.000 -0.000) 0.000 2.569 ( -0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 -0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 -0.000) 0.000 3.710 ( 0.000 -0.000 0.000) 0.000 3.710 ( -0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 -0.000) 0.000 3.832 ( -0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 -0.000) 0.000 4.619 ( 0.000 0.000 -0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 -0.000 0.000) 0.000 6.285 ( 0.000 0.000 0.000) 0.000 7.724 ( 0.000 0.000 0.000) 0.000 8.440 ( 0.000 0.000 0.000) 0.000 8.440 ( 0.000 0.000 0.000) 0.000 9.176 ( -0.000 0.000 0.000) 0.000 9.674 ( -0.000 0.000 0.000) 0.000 10.889 ( 0.000 0.000 0.000) 0.000 10.891 ( 0.000 -0.000 -0.000) 0.000 10.891 ( -0.000 0.000 -0.000) 0.000 10.909 ( -0.000 0.000 0.000) 0.000 11.296 ( 0.000 0.000 0.000) 0.000 26.746 ( -0.000 -0.000 -0.000) 0.000 26.858 ( 0.000 0.000 -0.000) 0.000 26.858 ( -0.000 0.000 -0.000) 0.000 27.119 ( 0.000 0.000 0.000) 0.000 27.119 ( 0.000 -0.000 0.000) 0.000 27.830 ( 0.000 0.000 0.000) 0.000 28.922 ( 0.000 0.000 0.000) 0.000 29.108 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.294 ( 22.236 -7.632 0.000) 23.510 0.384 ( 8.988 10.279 0.000) 13.655 0.877 ( 13.144 25.097 0.000) 28.331 2.061 ( -4.417 -2.193 -0.000) 4.931 2.473 ( -4.940 -3.690 -0.000) 6.166 2.579 ( 0.896 -0.467 0.000) 1.011 2.908 ( 1.528 10.356 -0.000) 10.468 3.029 ( 10.174 0.849 0.000) 10.209 3.619 ( -3.171 -3.397 -0.000) 4.647 3.714 ( 0.050 -0.038 0.000) 0.063 3.818 ( 0.241 -1.010 0.000) 1.039 3.942 ( 4.439 2.016 0.000) 4.875 4.080 ( 2.066 2.342 0.000) 3.123 4.622 ( 7.863 2.328 0.000) 8.200 4.827 ( 4.421 11.278 0.000) 12.114 5.492 ( -0.830 -6.653 0.000) 6.705 5.554 ( -3.601 1.926 -0.000) 4.084 6.194 ( -4.514 -4.170 -0.000) 6.145 7.785 ( 3.053 2.412 0.000) 3.891 8.481 ( 1.005 2.196 0.000) 2.415 8.535 ( 3.485 3.065 0.000) 4.641 9.267 ( 4.120 3.859 0.000) 5.645 9.750 ( 3.812 4.110 0.000) 5.605 10.635 ( -6.473 -6.978 -0.000) 9.518 10.874 ( -1.723 -0.180 -0.000) 1.732 10.892 ( -0.782 -0.880 -0.000) 1.177 11.074 ( 3.403 3.193 0.000) 4.666 11.249 ( -1.900 -2.400 -0.000) 3.061 26.611 ( -2.382 -1.441 -0.000) 2.784 26.814 ( 0.092 -3.986 0.000) 3.987 27.061 ( 3.791 7.053 0.000) 8.008 27.180 ( 3.643 1.249 0.000) 3.851 27.717 ( -3.964 -5.966 -0.000) 7.163 28.541 ( -6.517 -2.584 -0.000) 7.011 28.963 ( 1.501 1.395 0.000) 2.049 29.107 ( -0.184 -0.006 -0.000) 0.184 ======================= Grid point 2 (3/105) ======================= 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 21.899 2.032 0.000) 21.993 0.783 ( 7.560 11.327 0.000) 13.618 1.542 ( 5.909 20.084 -0.000) 20.935 2.025 ( 2.347 -0.523 0.000) 2.405 2.264 ( -5.477 -4.610 -0.000) 7.159 2.558 ( -0.752 -2.227 -0.000) 2.350 3.192 ( 1.937 13.442 -0.000) 13.581 3.328 ( 11.477 5.912 0.000) 12.911 3.497 ( -2.006 -2.665 -0.000) 3.336 3.700 ( -0.412 -0.906 -0.000) 0.995 3.796 ( 0.528 -2.246 0.000) 2.307 4.125 ( 8.365 0.286 0.000) 8.369 4.140 ( 0.161 1.225 -0.000) 1.236 4.780 ( 6.651 -2.641 0.000) 7.156 5.110 ( -1.009 10.820 -0.000) 10.867 5.281 ( -0.514 -11.901 0.000) 11.912 5.501 ( -6.358 2.545 -0.000) 6.848 5.937 ( -8.883 -6.935 -0.000) 11.270 7.922 ( 5.327 1.852 0.000) 5.640 8.536 ( -2.335 3.740 -0.000) 4.409 8.739 ( 7.448 5.237 0.000) 9.105 9.467 ( 6.604 4.421 0.000) 7.947 10.017 ( 7.704 9.702 0.000) 12.389 10.344 ( -6.971 -7.643 -0.000) 10.345 10.795 ( -4.864 -1.292 -0.000) 5.033 10.840 ( -1.071 -2.165 -0.000) 2.415 11.093 ( -5.187 -0.951 -0.000) 5.273 11.195 ( 3.044 -2.108 0.000) 3.703 26.679 ( 6.034 4.250 0.000) 7.381 26.734 ( 0.575 -2.708 0.000) 2.769 27.238 ( -0.136 6.238 -0.000) 6.240 27.255 ( 2.394 -2.281 0.000) 3.307 27.491 ( -1.188 -8.230 0.000) 8.315 28.329 ( -9.734 -0.711 -0.000) 9.760 29.016 ( 1.172 0.859 0.000) 1.453 29.098 ( -0.832 0.131 -0.000) 0.842 ======================= Grid point 3 (4/105) ======================= 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 5.798 10.885 0.000) 12.333 1.238 ( 18.824 8.660 0.000) 20.720 1.939 ( -1.105 13.317 -0.000) 13.363 2.046 ( 2.950 -3.856 0.000) 4.855 2.105 ( -1.642 -3.206 -0.000) 3.602 2.457 ( -3.418 -2.932 -0.000) 4.503 3.438 ( 0.055 -0.814 0.000) 0.816 3.492 ( 5.975 6.804 0.000) 9.056 3.670 ( -0.325 -0.977 0.000) 1.030 3.697 ( -2.044 7.909 -0.000) 8.169 3.783 ( 7.356 4.068 0.000) 8.406 4.153 ( -0.897 1.023 -0.000) 1.360 4.197 ( 5.420 -7.174 0.000) 8.992 4.845 ( 2.852 1.413 0.000) 3.183 5.002 ( 0.844 -14.985 0.000) 15.008 5.212 ( -1.926 2.638 -0.000) 3.267 5.379 ( -7.417 -1.022 -0.000) 7.487 5.572 ( -12.280 -5.748 -0.000) 13.559 8.069 ( 7.103 0.019 0.000) 7.103 8.516 ( -6.161 2.536 -0.000) 6.663 9.030 ( 7.250 7.742 0.000) 10.607 9.727 ( 9.665 4.502 0.000) 10.663 10.033 ( -7.113 -8.501 -0.000) 11.084 10.412 ( 7.781 11.663 0.000) 14.020 10.612 ( -8.406 -2.961 -0.000) 8.912 10.776 ( 0.318 -2.721 0.000) 2.740 10.948 ( -5.972 -0.957 -0.000) 6.048 11.178 ( 0.746 -4.132 0.000) 4.199 26.720 ( 5.173 -2.862 0.000) 5.912 27.049 ( 9.151 13.455 0.000) 16.272 27.135 ( -4.031 -4.828 -0.000) 6.289 27.319 ( -3.149 5.331 -0.000) 6.192 27.397 ( 6.436 -8.399 0.000) 10.581 28.133 ( -8.902 0.061 -0.000) 8.902 29.046 ( 0.778 0.141 0.000) 0.791 29.082 ( -1.201 0.429 -0.000) 1.276 ======================= Grid point 4 (5/105) ======================= 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 4.964 8.603 0.000) 9.932 1.622 ( 3.155 0.666 0.000) 3.224 2.057 ( 1.938 1.198 0.000) 2.278 2.058 ( 2.496 -2.613 0.000) 3.613 2.074 ( 1.451 4.371 -0.000) 4.606 2.295 ( -6.914 -3.059 -0.000) 7.561 3.472 ( 2.139 1.867 0.000) 2.839 3.580 ( -0.985 -4.040 0.000) 4.158 3.665 ( 1.293 0.103 0.000) 1.297 3.704 ( -3.066 3.506 -0.000) 4.658 4.039 ( 8.622 -3.188 0.000) 9.193 4.134 ( -3.907 1.271 -0.000) 4.108 4.309 ( 2.790 14.556 -0.000) 14.821 4.690 ( 0.166 -17.198 0.000) 17.199 4.963 ( 2.678 4.061 0.000) 4.864 5.146 ( -4.826 -7.011 -0.000) 8.511 5.204 ( 2.556 -2.025 0.000) 3.261 5.292 ( -10.614 2.211 -0.000) 10.842 8.224 ( 8.781 -0.773 0.000) 8.815 8.392 ( -8.906 1.126 -0.000) 8.976 9.353 ( 6.746 9.628 0.000) 11.756 9.698 ( -6.988 -9.730 -0.000) 11.980 10.037 ( 11.179 4.151 0.000) 11.925 10.344 ( -10.541 -3.659 -0.000) 11.158 10.741 ( 5.135 0.272 0.000) 5.143 10.800 ( 3.468 7.921 0.000) 8.647 10.822 ( -5.756 0.712 -0.000) 5.800 11.046 ( -2.020 -7.448 0.000) 7.717 26.816 ( 5.925 0.475 0.000) 5.944 26.963 ( -4.883 -2.815 -0.000) 5.636 27.334 ( -7.105 8.105 -0.000) 10.778 27.357 ( 6.940 -8.596 0.000) 11.048 27.544 ( 11.353 10.623 0.000) 15.547 27.916 ( -8.535 -5.029 -0.000) 9.907 29.057 ( 0.632 -0.249 0.000) 0.680 29.067 ( -0.997 0.382 -0.000) 1.067 ======================= Grid point 9 (6/105) ======================= q-point: (-0.24 -0.01 0.01) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 17.199 -13.086 -6.802) 22.657 0.797 ( 0.483 -7.994 -16.386) 18.238 1.144 ( -14.632 -21.906 -3.135) 26.529 1.925 ( -0.031 3.414 1.969) 3.941 2.348 ( -4.019 1.041 8.630) 9.576 2.464 ( 3.921 1.026 3.323) 5.241 2.981 ( -1.944 -2.408 -5.969) 6.723 3.253 ( 0.083 -8.587 -0.480) 8.601 3.546 ( 0.129 2.816 1.120) 3.033 3.670 ( 1.202 -1.590 4.312) 4.751 3.876 ( 0.538 -0.413 1.600) 1.738 3.921 ( 2.306 -2.801 -4.549) 5.819 4.287 ( 1.071 -5.062 -10.283) 11.511 4.613 ( 1.605 -3.093 -0.664) 3.547 4.872 ( -1.628 -6.887 11.808) 13.767 5.313 ( -0.757 8.378 3.731) 9.203 5.649 ( -0.276 -6.116 -1.632) 6.336 6.006 ( -0.499 7.376 7.889) 10.812 7.978 ( 0.559 -3.135 -10.606) 11.073 8.468 ( -0.774 0.156 -3.409) 3.499 8.729 ( -0.183 -10.008 -2.682) 10.363 9.394 ( 0.757 -5.185 -4.568) 6.951 9.883 ( -0.560 -7.617 -4.773) 9.007 10.466 ( 0.372 9.564 2.326) 9.850 10.842 ( -0.925 1.448 2.048) 2.674 10.985 ( -1.788 -2.104 -2.131) 3.488 11.033 ( 1.354 3.052 -0.508) 3.378 11.210 ( 0.741 0.933 2.608) 2.868 26.613 ( -0.989 3.371 -6.106) 7.044 26.811 ( 3.015 -0.685 3.475) 4.651 27.075 ( -0.482 -5.039 1.640) 5.321 27.322 ( -0.874 -0.826 -6.977) 7.080 27.749 ( 5.141 6.681 -4.967) 9.784 28.372 ( -5.760 1.524 3.931) 7.138 28.962 ( 0.279 -0.770 0.111) 0.827 29.129 ( -0.109 0.748 -1.757) 1.913 ======================= Grid point 10 (7/105) ======================= q-point: (-0.24 -0.01 0.12) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -5.885 -14.476 -9.878) 18.487 0.708 ( 4.324 -3.627 -21.950) 22.664 0.951 ( 23.329 -12.867 -6.482) 27.420 2.026 ( -3.053 4.404 3.819) 6.581 2.357 ( 1.159 2.649 8.939) 9.395 2.471 ( 0.854 -5.050 7.528) 9.105 2.997 ( 6.629 -1.461 -6.372) 9.310 3.092 ( 1.276 -5.914 -4.271) 7.406 3.608 ( -3.478 -0.371 4.340) 5.574 3.612 ( -0.344 3.221 2.823) 4.297 3.901 ( 1.352 -1.246 0.129) 1.843 3.909 ( -0.266 -1.795 -4.388) 4.749 4.219 ( 2.301 -3.326 -9.496) 10.321 4.624 ( 2.630 -6.330 -0.334) 6.863 4.721 ( 6.809 -2.266 7.277) 10.221 5.480 ( -0.032 2.053 5.858) 6.207 5.505 ( -0.709 -0.905 1.240) 1.691 6.087 ( -3.252 3.555 9.240) 10.421 7.944 ( 0.174 -0.459 -13.909) 13.918 8.505 ( 1.698 -1.545 -2.014) 3.054 8.582 ( 4.181 -3.742 -4.065) 6.929 9.338 ( 2.852 -3.250 -6.549) 7.848 9.808 ( 3.427 -3.120 -5.049) 6.853 10.587 ( -5.708 5.243 5.087) 9.270 10.870 ( -0.000 2.378 0.150) 2.383 10.908 ( -0.900 -0.370 -1.884) 2.120 11.086 ( 2.345 -2.383 -0.722) 3.420 11.219 ( -2.468 2.027 2.661) 4.157 26.692 ( -0.333 3.580 -4.082) 5.440 26.785 ( -3.892 -0.955 0.278) 4.017 27.023 ( 3.674 -3.732 0.829) 5.302 27.275 ( 2.817 -1.728 -6.542) 7.330 27.772 ( -6.319 2.417 -4.781) 8.284 28.412 ( 5.893 -1.354 10.081) 11.755 28.955 ( 1.294 -1.517 0.178) 2.002 29.137 ( -0.417 0.406 -2.285) 2.358 ======================= Grid point 12 (8/105) ======================= q-point: (-0.24 -0.01 0.35) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 9.448 1.158 -9.193) 13.233 1.225 ( 11.350 0.669 -1.489) 11.466 1.381 ( 10.369 7.379 -4.236) 13.413 1.971 ( 3.955 0.556 4.747) 6.204 2.264 ( -1.170 -0.258 0.830) 1.458 2.470 ( -4.750 1.872 1.548) 5.335 3.052 ( 1.573 4.901 -1.303) 5.310 3.399 ( 4.519 2.074 1.632) 5.233 3.513 ( -0.788 0.602 -3.469) 3.608 3.673 ( 2.516 -4.250 3.568) 6.092 3.931 ( 0.285 2.260 5.417) 5.876 4.078 ( 7.523 -0.602 -3.109) 8.162 4.415 ( 3.975 1.395 -9.696) 10.571 4.777 ( 2.280 5.598 6.459) 8.846 4.911 ( 3.719 -3.198 7.154) 8.674 5.134 ( -12.039 4.585 4.817) 13.754 5.688 ( 3.116 -6.072 -9.902) 12.026 5.784 ( -9.349 -3.631 5.383) 11.383 8.085 ( 6.092 0.182 -2.788) 6.703 8.453 ( -2.143 1.146 -4.891) 5.461 8.936 ( 9.753 -0.348 -1.181) 9.831 9.576 ( 7.043 4.271 -1.158) 8.318 10.081 ( 8.830 0.209 -1.932) 9.041 10.272 ( -6.587 -0.073 -1.102) 6.679 10.757 ( -4.296 -3.220 0.790) 5.427 10.873 ( -3.195 -1.551 -1.163) 3.737 11.028 ( -2.219 -0.972 -1.832) 3.037 11.219 ( 0.756 -0.062 3.376) 3.460 26.638 ( 2.777 4.041 -2.468) 5.489 26.877 ( 1.991 1.023 2.326) 3.228 27.143 ( 2.749 -2.045 2.254) 4.101 27.279 ( -2.498 -0.083 -2.419) 3.478 27.658 ( -9.294 2.508 -6.330) 11.521 28.219 ( 0.965 -6.230 -1.128) 6.405 28.994 ( 0.176 1.692 0.174) 1.710 29.101 ( -1.082 -0.508 -1.292) 1.761 ======================= Grid point 13 (9/105) ======================= q-point: (-0.24 -0.01 0.46) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 7.812 2.747 -3.575) 9.020 1.474 ( 6.659 4.446 1.052) 8.076 1.666 ( -0.699 10.048 -3.220) 10.574 2.033 ( 3.752 -1.294 4.365) 5.900 2.267 ( 0.575 -1.985 -2.881) 3.546 2.371 ( -4.550 0.150 1.137) 4.693 3.244 ( 1.408 9.592 3.098) 10.178 3.499 ( -0.858 2.518 2.411) 3.590 3.525 ( -1.520 2.614 -6.833) 7.472 3.661 ( 2.598 -1.126 4.438) 5.264 3.959 ( 0.720 -0.075 4.316) 4.377 4.167 ( 6.184 -3.576 -5.320) 8.907 4.451 ( 1.207 -4.081 0.288) 4.266 4.789 ( -4.168 0.273 4.689) 6.280 4.999 ( 4.084 0.096 7.077) 8.171 5.052 ( -6.870 7.736 0.392) 10.354 5.482 ( -5.323 -9.139 1.947) 10.754 5.556 ( -2.697 -6.691 -12.986) 14.855 8.214 ( 5.782 -0.476 3.649) 6.854 8.421 ( -1.937 0.215 -5.638) 5.966 9.111 ( 6.800 1.234 0.859) 6.965 9.842 ( 7.317 6.489 1.794) 9.944 9.988 ( -5.300 -5.210 0.738) 7.469 10.427 ( 9.116 3.566 -1.685) 9.933 10.541 ( -8.671 -2.685 -3.674) 9.793 10.829 ( -0.062 -0.563 0.542) 0.784 10.920 ( -2.595 -3.339 -3.261) 5.341 11.203 ( -0.378 -2.389 3.872) 4.565 26.802 ( 2.576 2.741 2.541) 4.540 26.946 ( 0.055 3.015 1.268) 3.271 27.151 ( 0.563 -0.095 -1.478) 1.584 27.273 ( 6.347 -0.562 0.928) 6.439 27.503 ( -11.030 4.101 -3.382) 12.244 28.168 ( 6.235 -7.469 -1.751) 9.886 29.030 ( 0.124 1.200 0.562) 1.331 29.076 ( -0.498 -0.065 -1.145) 1.251 ======================= Grid point 14 (10/105) ======================= q-point: ( 0.76 -0.01 -0.43) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 4.832 4.484 2.628) 7.097 1.599 ( -3.834 4.704 3.504) 7.007 1.800 ( -3.507 8.203 -1.070) 8.985 2.050 ( -3.916 0.262 -2.739) 4.786 2.228 ( 4.164 -2.375 1.724) 5.094 2.325 ( 1.415 -2.975 -1.960) 3.833 3.397 ( -1.278 2.027 1.809) 3.002 3.522 ( -1.008 3.620 -2.923) 4.760 3.547 ( -2.534 4.143 1.944) 5.231 3.699 ( -1.476 3.113 2.364) 4.178 3.984 ( -0.562 0.585 3.285) 3.384 4.214 ( 0.579 2.150 -8.712) 8.992 4.353 ( 2.590 -6.331 1.823) 7.079 4.716 ( -5.467 4.639 9.872) 12.201 4.966 ( 1.648 -10.504 3.580) 11.219 5.142 ( -1.239 5.115 -3.119) 6.118 5.220 ( 0.875 -8.509 -2.925) 9.041 5.420 ( 0.938 -1.975 -8.560) 8.835 8.230 ( -3.184 -0.921 1.638) 3.698 8.449 ( 6.988 -1.956 -0.563) 7.279 9.284 ( 2.924 5.443 4.542) 7.669 9.771 ( -1.514 -7.797 -1.277) 8.045 10.096 ( 0.632 5.462 4.657) 7.206 10.307 ( -3.569 -2.058 -6.015) 7.291 10.682 ( 4.918 3.858 0.022) 6.251 10.780 ( -1.996 -0.247 -2.395) 3.127 10.889 ( 4.043 -1.065 -1.345) 4.392 11.097 ( -1.854 -5.683 3.753) 7.059 26.828 ( -3.219 2.000 4.064) 5.557 27.005 ( 3.297 -1.651 -0.753) 3.763 27.070 ( -5.447 0.865 -5.490) 7.781 27.405 ( -6.539 3.821 0.304) 7.579 27.589 ( 12.802 6.102 5.737) 15.299 28.093 ( 4.355 -11.549 -1.619) 12.448 29.043 ( -0.277 0.432 0.187) 0.546 29.079 ( 0.741 -0.109 -0.359) 0.831 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.76 -0.01 -0.32) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -4.031 -2.416 5.524) 7.253 1.571 ( -4.778 -0.030 -0.401) 4.795 1.874 ( -3.063 2.469 0.419) 3.956 1.965 ( -1.876 4.079 -2.069) 4.943 2.259 ( 3.598 -4.247 0.368) 5.578 2.326 ( 0.548 1.783 0.194) 1.876 3.352 ( -4.183 0.933 2.340) 4.883 3.531 ( -1.439 0.501 -3.440) 3.762 3.607 ( -1.319 4.713 2.749) 5.613 3.765 ( -1.303 4.832 -0.119) 5.007 3.837 ( -5.897 -5.041 1.678) 7.937 4.270 ( 3.084 -1.658 -0.556) 3.545 4.430 ( 0.716 9.203 -3.847) 10.001 4.656 ( -1.394 -16.697 -2.081) 16.884 4.790 ( 0.606 4.701 9.031) 10.199 5.051 ( -1.111 -2.719 -1.825) 3.458 5.321 ( 3.978 5.367 -4.152) 7.866 5.520 ( 7.621 0.960 -4.047) 8.682 8.127 ( -2.318 -2.164 -0.670) 3.242 8.559 ( 5.525 -1.288 2.132) 6.061 9.345 ( -3.818 -1.611 7.339) 8.428 9.718 ( 6.483 0.455 -3.443) 7.355 9.944 ( -8.741 -3.629 -2.013) 9.676 10.448 ( 5.050 6.143 0.625) 7.977 10.708 ( -0.099 -0.601 -4.103) 4.148 10.846 ( -1.773 -2.177 4.421) 5.237 10.938 ( 1.528 -1.767 0.162) 2.342 10.977 ( 4.732 -0.078 -0.271) 4.740 26.767 ( -3.341 -2.100 0.150) 3.949 26.929 ( -4.751 2.624 -2.311) 5.899 27.130 ( 0.939 4.887 -2.533) 5.584 27.352 ( -3.965 0.105 2.248) 4.559 27.734 ( 0.296 -13.778 4.249) 14.421 28.056 ( 9.904 2.389 -0.363) 10.195 29.040 ( -0.645 0.126 0.030) 0.658 29.095 ( 1.081 -0.279 0.228) 1.139 ======================= Grid point 18 (12/105) ======================= q-point: (-0.24 -0.01 -0.21) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -10.110 -11.555 -1.250) 15.404 1.343 ( -3.555 -9.335 -2.248) 10.238 1.830 ( -3.540 0.536 4.281) 5.581 2.106 ( 1.903 4.475 -1.522) 5.095 2.218 ( 2.032 -5.354 -0.594) 5.758 2.378 ( -2.146 4.378 0.550) 4.906 3.269 ( -6.810 1.288 3.579) 7.800 3.490 ( -1.054 -2.021 -3.995) 4.599 3.613 ( -5.455 1.560 4.183) 7.049 3.700 ( 0.799 -0.914 2.616) 2.884 3.828 ( 1.459 0.308 1.467) 2.092 4.267 ( 0.079 -17.508 -3.481) 17.851 4.316 ( 3.107 -0.598 -6.427) 7.163 4.637 ( -0.860 9.918 4.664) 10.993 4.820 ( -2.639 0.480 -1.779) 3.219 5.094 ( 0.459 5.983 3.956) 7.187 5.556 ( 5.008 7.588 0.218) 9.094 5.694 ( 7.202 -0.349 -4.589) 8.547 8.062 ( 0.793 -2.846 -2.383) 3.796 8.594 ( -0.534 -0.493 0.860) 1.126 9.161 ( -1.246 -8.974 1.718) 9.222 9.693 ( -6.132 -4.578 -1.987) 7.907 9.953 ( 5.614 6.943 0.303) 8.934 10.530 ( -4.389 -11.829 1.213) 12.675 10.671 ( 3.736 6.154 0.457) 7.214 10.786 ( 0.894 2.024 -3.461) 4.107 11.041 ( 1.962 3.173 0.987) 3.859 11.054 ( 3.101 -0.446 1.299) 3.392 26.644 ( -2.171 -2.483 -2.029) 3.873 26.983 ( -2.059 8.632 -0.827) 8.913 27.145 ( -7.492 -8.948 -0.630) 11.687 27.268 ( 2.165 4.679 -3.551) 6.260 27.450 ( -0.427 -8.049 4.119) 9.052 28.310 ( 7.781 2.042 -0.592) 8.066 29.020 ( -1.463 0.018 0.021) 1.464 29.109 ( 0.568 -0.094 0.311) 0.654 ======================= Grid point 19 (13/105) ======================= q-point: (-0.24 -0.01 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 2.878 -13.960 -4.349) 14.903 1.057 ( -2.986 -11.573 -8.027) 14.397 1.701 ( -8.868 -4.691 3.035) 10.481 1.979 ( -1.019 -9.353 0.420) 9.418 2.314 ( 4.360 3.830 -1.746) 6.061 2.402 ( -4.558 3.985 3.370) 6.929 3.120 ( -7.170 -0.807 0.366) 7.224 3.432 ( -1.264 -3.718 0.614) 3.974 3.535 ( -2.800 -1.261 -1.086) 3.258 3.656 ( 4.371 -5.046 5.796) 8.840 3.866 ( 0.889 0.542 -1.074) 1.496 4.007 ( -0.006 -7.751 -2.112) 8.033 4.341 ( 2.011 -2.683 -9.291) 9.878 4.680 ( -2.463 -1.049 1.085) 2.889 4.883 ( 1.867 4.339 9.943) 11.008 5.205 ( -3.547 7.409 2.083) 8.474 5.735 ( 3.823 -3.979 -4.928) 7.398 5.825 ( 2.181 7.557 5.010) 9.325 8.026 ( 1.786 -3.624 -5.761) 7.036 8.530 ( -3.908 -0.362 -2.006) 4.407 8.947 ( 0.257 -10.762 -1.584) 10.881 9.510 ( -2.089 -4.891 -2.083) 5.712 10.121 ( -0.618 -8.142 -0.086) 8.166 10.263 ( -0.527 4.710 -1.191) 4.886 10.810 ( 1.050 2.045 0.499) 2.352 10.898 ( 2.625 4.747 -1.204) 5.557 11.056 ( -2.407 0.680 -0.176) 2.507 11.147 ( 3.523 0.729 2.282) 4.260 26.601 ( -1.398 1.164 -4.378) 4.741 26.840 ( -1.720 -6.933 0.177) 7.145 27.131 ( 1.517 2.102 1.258) 2.882 27.340 ( -1.565 -0.897 -0.602) 1.902 27.453 ( 3.863 8.370 -4.057) 10.072 28.429 ( 0.908 0.334 -1.388) 1.692 28.984 ( -1.711 0.003 0.129) 1.716 29.117 ( 0.065 0.380 -0.466) 0.604 ======================= Grid point 20 (14/105) ======================= q-point: (-0.47 -0.03 0.03) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 2.354 -0.509 -0.978) 2.600 1.336 ( 0.612 -3.763 -2.641) 4.637 1.574 ( 0.028 -1.283 -0.612) 1.422 2.129 ( -3.123 -7.204 0.351) 7.860 2.201 ( -0.149 0.027 2.365) 2.370 2.341 ( 1.002 3.797 -1.574) 4.231 3.060 ( -0.418 0.906 -1.447) 1.758 3.412 ( -0.369 -1.004 0.367) 1.131 3.568 ( 0.612 -0.930 -0.557) 1.245 3.722 ( 2.559 -3.711 3.381) 5.634 3.808 ( -2.580 2.493 -2.313) 4.269 4.363 ( -0.748 -10.099 -2.185) 10.359 4.463 ( 0.889 1.612 2.126) 2.812 4.699 ( 6.893 1.481 -0.749) 7.090 4.836 ( -0.661 -1.652 1.779) 2.516 4.877 ( -5.222 5.863 -1.299) 7.958 5.568 ( -0.532 3.176 3.024) 4.418 5.933 ( 0.271 -3.564 2.331) 4.267 8.209 ( -0.198 0.384 -3.105) 3.135 8.517 ( -0.015 0.201 -0.303) 0.364 9.122 ( 0.011 -2.723 -2.490) 3.690 9.624 ( 0.022 -1.189 -2.521) 2.787 10.102 ( 0.100 3.197 2.453) 4.031 10.426 ( 0.738 -10.714 -2.894) 11.122 10.699 ( -1.516 8.564 0.869) 8.741 10.787 ( 0.385 0.949 0.524) 1.150 11.110 ( 1.457 -0.238 5.090) 5.300 11.122 ( -1.059 0.016 -4.486) 4.609 26.688 ( 1.068 0.148 -1.430) 1.791 26.897 ( -4.095 -7.043 1.045) 8.214 27.177 ( 5.822 7.192 -1.823) 9.431 27.228 ( -3.086 -1.340 2.395) 4.130 27.443 ( 2.345 7.320 -3.654) 8.511 28.460 ( -2.261 -1.386 -1.404) 3.001 28.967 ( 0.205 0.168 -0.151) 0.304 29.106 ( 0.023 0.556 -0.019) 0.556 ======================= Grid point 21 (15/105) ======================= q-point: (-0.47 -0.03 0.14) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.737 -5.929 -2.503) 6.477 1.302 ( 4.293 -5.318 -5.598) 8.835 1.534 ( 6.936 -7.502 -9.954) 14.265 1.887 ( -2.668 -4.587 1.932) 5.647 2.194 ( 3.178 -2.053 5.133) 6.377 2.440 ( 0.892 2.494 1.330) 2.964 3.111 ( 2.942 1.579 -3.916) 5.147 3.374 ( 1.963 -4.064 -0.101) 4.514 3.555 ( 0.027 -1.862 0.047) 1.863 3.638 ( -1.288 -4.990 2.395) 5.683 3.833 ( 0.149 2.680 0.157) 2.688 4.169 ( -0.130 -6.946 -3.505) 7.781 4.495 ( -0.697 0.567 2.388) 2.551 4.755 ( -0.024 -4.986 0.428) 5.004 4.809 ( 4.536 -3.589 -3.032) 6.531 4.995 ( 0.871 10.172 6.723) 12.224 5.635 ( -3.010 6.881 7.560) 10.657 5.769 ( -3.264 -7.821 3.621) 9.216 8.192 ( -2.452 0.951 -6.288) 6.816 8.550 ( 2.035 1.129 -3.127) 3.898 9.020 ( 0.377 -6.829 -7.554) 10.190 9.630 ( 3.612 -2.109 -4.322) 6.015 10.137 ( -3.447 0.270 -0.006) 3.458 10.254 ( 1.790 -4.502 0.623) 4.885 10.768 ( -0.451 2.403 -1.347) 2.791 10.880 ( -1.136 5.964 0.472) 6.089 11.084 ( -2.146 -0.247 -3.026) 3.718 11.122 ( -0.239 0.161 5.074) 5.082 26.670 ( -0.502 -2.726 0.249) 2.783 26.833 ( 4.614 0.601 1.463) 4.878 27.121 ( -2.503 -1.876 -0.663) 3.198 27.343 ( -2.176 4.030 -3.300) 5.645 27.806 ( 5.290 12.876 -6.462) 15.347 28.264 ( -6.602 -3.822 -3.068) 8.222 28.994 ( 1.452 -0.031 -0.219) 1.468 29.125 ( -0.292 1.369 -0.662) 1.549 ======================= Grid point 22 (16/105) ======================= q-point: (-0.47 -0.03 0.25) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 3.501 -14.585 -8.904) 17.443 1.232 ( 2.134 -3.243 -12.979) 13.547 1.651 ( 9.302 -5.484 0.151) 10.799 1.851 ( 3.860 -0.694 0.119) 3.924 2.264 ( 4.013 0.385 4.315) 5.905 2.444 ( -0.799 -2.656 3.993) 4.862 3.252 ( 6.715 -0.592 0.034) 6.741 3.316 ( 3.153 -4.874 -2.955) 6.514 3.462 ( -2.524 -1.270 0.681) 2.906 3.563 ( 0.486 -2.028 2.135) 2.984 3.916 ( 1.304 3.466 -0.657) 3.761 4.044 ( -0.554 -4.721 -4.092) 6.272 4.464 ( -0.709 -0.125 -3.159) 3.240 4.645 ( -1.867 -3.497 5.847) 7.064 4.814 ( 3.666 -3.644 -5.494) 7.544 5.251 ( 3.117 6.945 8.423) 11.353 5.539 ( -0.722 -5.819 7.214) 9.297 5.719 ( -3.943 6.202 6.303) 9.682 8.178 ( -1.782 2.435 -9.007) 9.499 8.601 ( 0.168 -0.461 -1.828) 1.893 8.930 ( 4.755 -4.576 -9.342) 11.438 9.653 ( 3.831 -3.998 -8.405) 10.065 10.058 ( 1.616 -2.153 -3.442) 4.370 10.256 ( -2.468 2.239 7.335) 8.057 10.814 ( -0.458 2.252 -0.047) 2.299 10.937 ( -1.435 2.340 -2.175) 3.502 11.037 ( -3.513 1.391 2.100) 4.323 11.115 ( -0.450 0.451 1.348) 1.491 26.654 ( 0.911 0.158 2.038) 2.238 26.907 ( 3.178 -2.832 -5.440) 6.908 27.077 ( 0.208 -0.792 1.916) 2.084 27.343 ( -3.522 4.271 -2.226) 5.967 27.794 ( -8.967 -2.839 -10.657) 14.214 28.349 ( 2.926 7.848 -0.801) 8.414 29.007 ( 0.857 -1.144 -0.129) 1.435 29.136 ( -1.136 0.829 -0.339) 1.447 ======================= Grid point 23 (17/105) ======================= q-point: (-0.47 -0.03 0.36) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 11.078 0.967 -8.700) 14.119 1.242 ( 4.146 -2.042 -7.565) 8.865 1.602 ( 1.101 -5.355 4.711) 7.217 1.990 ( 9.251 -1.752 -1.138) 9.484 2.309 ( -0.044 -6.503 4.705) 8.027 2.349 ( -1.082 2.570 -0.871) 2.922 3.146 ( -1.687 -4.736 -2.872) 5.790 3.423 ( 2.067 -3.390 0.513) 4.004 3.494 ( 4.823 2.158 5.244) 7.444 3.570 ( 2.232 2.790 -0.526) 3.611 3.915 ( -2.276 -2.230 -2.832) 4.263 4.105 ( 9.891 1.641 -5.312) 11.346 4.499 ( -0.028 0.500 -0.932) 1.058 4.566 ( -1.610 3.152 3.710) 5.128 4.819 ( 3.525 -2.898 -4.375) 6.322 5.160 ( -7.499 -5.239 3.028) 9.636 5.635 ( -1.173 3.293 9.297) 9.932 5.762 ( 3.952 3.735 5.237) 7.550 8.205 ( -0.989 2.165 -9.268) 9.569 8.548 ( -0.913 -1.968 0.383) 2.203 9.021 ( 6.706 -0.415 -6.135) 9.099 9.627 ( 2.275 -3.660 -8.661) 9.674 10.125 ( -0.330 4.145 1.323) 4.363 10.245 ( 4.000 -2.019 2.119) 4.956 10.811 ( -1.415 -0.102 -0.631) 1.552 10.889 ( -7.315 0.528 2.226) 7.664 11.042 ( 1.207 2.225 3.297) 4.157 11.129 ( -0.383 1.063 -2.493) 2.737 26.674 ( -0.802 1.239 -1.555) 2.144 26.876 ( 5.976 -7.162 -2.745) 9.723 27.101 ( 0.699 2.790 -0.000) 2.877 27.358 ( -6.466 3.614 -0.554) 7.428 27.571 ( -9.146 0.575 -6.520) 11.247 28.468 ( 0.362 0.926 -1.975) 2.211 28.985 ( 0.154 -1.641 -0.272) 1.671 29.121 ( -1.222 0.414 0.336) 1.333 ======================= Grid point 25 (18/105) ======================= q-point: ( 0.53 -0.03 -0.42) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -6.104 4.914 6.178) 9.979 1.337 ( -3.993 0.735 1.013) 4.185 1.622 ( -1.025 4.242 -4.308) 6.133 2.124 ( -1.587 -1.236 -1.958) 2.808 2.268 ( 0.474 2.299 0.350) 2.373 2.326 ( 2.300 0.679 1.537) 2.848 3.109 ( 1.570 4.465 0.561) 4.766 3.443 ( -0.137 2.478 -1.873) 3.109 3.557 ( -2.015 -0.242 -0.241) 2.044 3.650 ( -3.974 -3.704 -2.592) 6.019 3.863 ( 2.726 2.136 3.595) 4.992 4.366 ( -12.780 -0.174 3.708) 13.309 4.458 ( 3.035 0.266 -5.363) 6.168 4.553 ( -0.683 -6.491 3.972) 7.640 4.867 ( -0.759 2.221 4.040) 4.673 4.999 ( 7.185 5.655 -1.033) 9.202 5.547 ( 3.918 -2.529 -3.505) 5.834 5.872 ( -3.712 -5.487 -4.215) 7.852 8.191 ( 0.478 -1.697 5.446) 5.724 8.531 ( 0.532 1.041 -2.535) 2.791 9.123 ( -2.747 0.189 1.296) 3.043 9.668 ( -1.374 4.288 5.453) 7.072 10.054 ( 2.781 -4.177 -1.341) 5.194 10.433 ( -10.558 1.229 -0.943) 10.671 10.699 ( 9.720 -1.397 -2.716) 10.188 10.799 ( 0.699 1.344 0.702) 1.670 11.059 ( -0.518 -3.209 -4.858) 5.845 11.126 ( -0.134 -0.773 4.902) 4.964 26.680 ( -1.589 0.326 2.364) 2.867 27.000 ( 2.126 3.929 1.900) 4.854 27.070 ( -2.549 -1.609 1.997) 3.616 27.299 ( -2.351 2.929 -4.986) 6.242 27.397 ( 6.346 -2.068 3.725) 7.644 28.445 ( 2.582 -3.733 0.654) 4.586 28.987 ( -0.110 1.776 0.278) 1.801 29.103 ( 0.460 -0.252 -0.714) 0.886 ======================= Grid point 26 (19/105) ======================= q-point: ( 0.53 -0.03 -0.31) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -11.719 10.747 8.921) 18.233 1.288 ( -3.396 2.806 7.455) 8.659 1.711 ( -0.295 4.921 -6.339) 8.030 2.016 ( -8.037 0.515 1.149) 8.135 2.300 ( 1.043 -2.175 1.271) 2.727 2.410 ( 1.929 2.522 -3.242) 4.537 3.291 ( 2.169 8.647 1.477) 9.036 3.424 ( -5.451 -2.383 -5.432) 8.056 3.492 ( -5.193 0.790 3.461) 6.290 3.567 ( 0.255 3.383 -4.175) 5.380 3.926 ( 0.962 -1.578 2.670) 3.247 4.100 ( -7.949 1.564 6.032) 10.100 4.453 ( 0.346 -2.687 4.558) 5.303 4.577 ( 4.482 2.915 -8.187) 9.778 4.883 ( -2.776 2.808 6.029) 7.206 5.225 ( 5.396 0.094 -3.403) 6.380 5.560 ( 1.619 -3.247 -10.107) 10.739 5.645 ( -0.721 -7.077 -2.985) 7.715 8.157 ( 0.298 -1.987 7.331) 7.601 8.579 ( 1.949 0.411 -0.577) 2.074 9.045 ( -5.784 2.314 6.040) 8.677 9.731 ( -3.619 5.966 8.295) 10.840 10.033 ( 4.218 -4.682 -1.825) 6.561 10.289 ( -6.156 2.436 -3.396) 7.441 10.788 ( 2.721 -1.762 1.232) 3.467 10.874 ( 4.180 -1.440 -1.870) 4.800 10.995 ( 0.546 -2.074 -1.672) 2.719 11.097 ( 0.964 -1.929 1.130) 2.435 26.669 ( -0.734 0.932 0.871) 1.472 26.992 ( -4.912 2.824 5.090) 7.617 27.114 ( -3.000 4.819 -3.861) 6.865 27.257 ( 3.985 -5.317 -0.762) 6.688 27.595 ( 10.107 2.255 8.743) 13.553 28.370 ( 0.809 -8.019 1.440) 8.187 29.019 ( -0.286 1.263 0.128) 1.302 29.112 ( 1.029 -0.457 -0.238) 1.151 ======================= Grid point 27 (20/105) ======================= q-point: ( 0.53 -0.03 -0.19) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -3.195 10.425 5.364) 12.151 1.343 ( -1.525 8.071 8.688) 11.956 1.732 ( -8.258 2.640 0.695) 8.698 1.875 ( -2.694 1.881 0.229) 3.293 2.262 ( -2.245 0.553 -2.538) 3.433 2.437 ( 1.056 -3.192 -2.152) 3.992 3.221 ( -7.499 -1.475 0.796) 7.684 3.440 ( -4.102 3.412 0.606) 5.370 3.511 ( 3.390 4.361 -1.115) 5.635 3.643 ( -1.883 5.098 0.054) 5.435 3.839 ( -0.152 -3.517 -1.718) 3.917 4.153 ( 1.005 5.838 5.515) 8.094 4.457 ( 2.537 -0.708 -0.204) 2.642 4.737 ( 2.214 4.980 -5.682) 7.873 4.866 ( -1.819 0.037 5.601) 5.889 5.083 ( -6.067 -7.636 -8.655) 13.039 5.554 ( 4.929 -7.670 -6.817) 11.384 5.672 ( 5.664 4.974 -0.806) 7.581 8.146 ( 1.531 -0.580 3.973) 4.297 8.581 ( -0.355 -1.921 3.414) 3.934 9.044 ( -2.357 5.831 7.483) 9.775 9.728 ( -5.562 3.141 2.870) 7.003 10.052 ( 4.792 -3.499 -1.068) 6.029 10.288 ( -1.993 6.325 -0.675) 6.666 10.769 ( -0.295 -2.455 2.577) 3.571 10.853 ( 1.435 -4.892 0.225) 5.103 11.016 ( 3.772 -0.985 1.648) 4.232 11.107 ( 1.631 -0.375 -4.261) 4.578 26.683 ( -1.454 3.017 -1.945) 3.873 26.943 ( -5.848 -0.448 0.525) 5.888 27.076 ( 0.938 0.621 -1.227) 1.664 27.294 ( 2.599 -0.928 1.914) 3.358 27.815 ( 4.687 -3.687 9.448) 11.172 28.181 ( 1.191 -4.783 1.453) 5.139 29.021 ( -0.997 0.258 0.008) 1.030 29.116 ( 0.626 -1.015 0.657) 1.361 ======================= Grid point 28 (21/105) ======================= q-point: ( 0.53 -0.03 -0.08) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -5.881 -0.609 -1.854) 6.196 1.368 ( -2.879 1.071 2.832) 4.178 1.626 ( -4.759 1.384 5.558) 7.447 2.031 ( 4.447 7.850 -0.452) 9.033 2.251 ( -3.182 3.334 -2.714) 5.348 2.352 ( 0.145 -5.252 0.546) 5.282 3.092 ( -3.651 -0.041 1.882) 4.108 3.429 ( -1.963 1.519 0.609) 2.556 3.578 ( -0.364 0.162 -0.143) 0.423 3.706 ( 2.808 -0.365 2.979) 4.110 3.810 ( -1.661 1.552 -4.293) 4.858 4.334 ( 1.844 8.104 2.976) 8.828 4.476 ( 0.361 -0.771 -1.794) 1.985 4.741 ( 2.251 -13.583 -4.589) 14.513 4.841 ( -0.679 3.069 -4.009) 5.095 4.889 ( -6.296 3.826 2.982) 7.948 5.528 ( 3.229 -2.497 -2.662) 4.874 5.883 ( 4.947 2.713 0.105) 5.643 8.184 ( 1.908 0.117 -0.003) 1.912 8.531 ( -1.098 -0.562 3.445) 3.659 9.123 ( -0.186 2.744 3.769) 4.666 9.668 ( -4.150 1.334 -0.489) 4.387 10.060 ( 3.772 -3.273 -2.811) 5.731 10.455 ( -1.484 10.882 4.150) 11.741 10.661 ( 1.458 -8.180 2.718) 8.742 10.800 ( -0.509 -1.088 -1.903) 2.250 11.073 ( 3.265 -0.895 3.657) 4.984 11.126 ( 0.250 0.246 -4.953) 4.965 26.718 ( -1.543 -0.429 -0.178) 1.611 26.853 ( -0.185 5.201 -3.314) 6.170 27.164 ( 1.836 0.045 -0.168) 1.844 27.276 ( -1.977 -0.509 -0.250) 2.056 27.511 ( -4.434 -13.372 5.452) 15.106 28.365 ( 6.481 4.928 2.106) 8.409 28.991 ( -1.688 -0.256 -0.043) 1.707 29.104 ( 0.192 -0.584 0.765) 0.981 ======================= Grid point 29 (22/105) ======================= q-point: ( 0.29 -0.04 0.04) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -7.429 7.540 4.981) 11.698 1.025 ( -4.374 12.063 7.605) 14.916 1.495 ( 10.217 10.628 -0.629) 14.756 1.962 ( 0.168 7.620 -1.120) 7.704 2.306 ( 3.906 -2.818 -4.239) 6.416 2.406 ( -4.106 -4.352 -0.455) 6.001 3.024 ( 1.866 1.748 1.804) 3.129 3.395 ( 1.473 4.351 -1.642) 4.878 3.509 ( 0.239 -0.876 2.193) 2.373 3.718 ( -0.626 2.582 -2.625) 3.735 3.887 ( -1.456 0.491 -5.888) 6.085 4.045 ( -3.090 9.818 4.463) 11.219 4.381 ( -1.727 3.670 10.615) 11.363 4.675 ( -2.605 2.829 -1.591) 4.162 4.933 ( -2.084 -1.686 -11.700) 12.004 5.122 ( 3.466 -8.869 -3.024) 9.990 5.765 ( 1.147 4.046 7.378) 8.492 5.833 ( 1.137 -8.741 -5.498) 10.389 8.066 ( -1.666 5.169 4.812) 7.256 8.462 ( 2.107 -0.283 3.946) 4.483 8.947 ( 0.424 10.445 0.798) 10.484 9.509 ( -1.878 5.775 1.048) 6.162 10.093 ( 1.363 12.496 3.572) 13.068 10.268 ( -0.466 -9.374 0.118) 9.386 10.810 ( 1.299 -1.795 -2.086) 3.043 10.908 ( 1.549 -7.173 0.281) 7.343 11.030 ( -0.168 0.821 2.837) 2.958 11.202 ( -1.716 0.005 -3.042) 3.493 26.590 ( -0.667 1.193 4.840) 5.029 26.842 ( -1.515 2.649 -2.864) 4.185 27.176 ( -0.901 4.056 -2.589) 4.896 27.287 ( 2.032 -3.277 3.526) 5.225 27.558 ( -5.848 -11.273 4.515) 13.478 28.366 ( 6.419 1.857 1.117) 6.775 28.968 ( -0.402 -0.011 -0.069) 0.408 29.112 ( 0.478 -0.769 0.934) 1.301 ======================= Grid point 30 (23/105) ======================= q-point: ( 0.29 -0.04 0.15) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 2.579 9.323 1.265) 9.755 1.286 ( 2.379 9.415 3.161) 10.213 1.730 ( 5.834 0.726 -4.348) 7.312 2.158 ( -2.515 0.295 -1.395) 2.891 2.247 ( -0.956 2.610 1.556) 3.185 2.311 ( 3.575 -4.684 -0.368) 5.904 3.135 ( 5.502 0.836 -2.811) 6.235 3.481 ( 0.670 2.123 2.442) 3.304 3.517 ( 3.131 -2.154 -0.914) 3.908 3.730 ( -1.517 0.795 -0.722) 1.859 3.861 ( -1.654 -0.017 -5.882) 6.110 4.279 ( -1.159 16.197 3.399) 16.591 4.384 ( -3.031 1.461 8.203) 8.866 4.632 ( -0.808 -8.010 -5.311) 9.644 4.783 ( 0.424 -1.479 2.977) 3.351 5.080 ( 1.960 -4.641 -7.690) 9.193 5.635 ( -2.450 -8.063 -2.973) 8.936 5.797 ( -2.683 -0.677 9.466) 9.862 8.111 ( -3.471 4.538 1.647) 5.946 8.539 ( 3.973 0.526 1.470) 4.268 9.152 ( 0.212 8.496 -2.686) 8.913 9.613 ( 1.559 4.985 -0.275) 5.231 10.048 ( -3.507 -6.933 1.390) 7.893 10.441 ( 4.059 13.302 0.305) 13.911 10.736 ( -2.186 -7.437 -0.979) 7.813 10.787 ( 0.742 -2.781 0.885) 3.011 11.039 ( 0.475 -1.421 2.520) 2.932 11.145 ( -3.968 0.561 -2.856) 4.921 26.622 ( 0.002 3.106 2.582) 4.039 26.975 ( 0.235 -5.641 0.390) 5.660 27.039 ( 0.954 5.904 0.803) 6.034 27.297 ( -0.205 -5.582 3.076) 6.377 27.423 ( 1.807 6.286 -3.805) 7.567 28.427 ( -3.217 -0.278 0.819) 3.331 28.985 ( 1.678 0.167 -0.042) 1.687 29.112 ( 0.237 -0.096 -0.166) 0.305 ======================= Grid point 31 (24/105) ======================= q-point: (-0.71 -0.04 0.26) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 9.143 3.089 -1.964) 9.849 1.471 ( 3.502 2.638 -0.768) 4.452 1.835 ( 2.238 0.438 -2.684) 3.522 1.964 ( -1.864 -7.290 0.455) 7.539 2.285 ( 3.158 -3.933 -0.494) 5.068 2.329 ( -2.232 4.181 0.160) 4.742 3.256 ( 5.088 -0.094 -3.918) 6.422 3.504 ( 0.975 -0.803 3.706) 3.915 3.555 ( 3.346 -2.229 -2.571) 4.772 3.692 ( 1.961 -4.369 3.699) 6.051 3.834 ( -1.782 2.080 -6.088) 6.676 4.333 ( -3.233 0.228 1.396) 3.529 4.418 ( 1.607 -7.525 3.362) 8.397 4.644 ( -0.012 15.352 3.415) 15.727 4.795 ( 0.624 -2.178 -4.728) 5.243 5.027 ( 0.618 -0.372 -2.047) 2.171 5.411 ( -4.420 -5.845 3.502) 8.122 5.660 ( -5.264 -3.424 6.802) 9.257 8.130 ( -2.380 3.702 0.072) 4.401 8.610 ( 0.578 1.061 -1.364) 1.822 9.293 ( 1.315 3.007 -8.712) 9.309 9.769 ( 4.137 2.003 -1.113) 4.729 9.868 ( -3.926 0.260 6.008) 7.182 10.518 ( -2.117 -8.480 -2.488) 9.088 10.718 ( -0.510 2.450 3.852) 4.593 10.790 ( 2.882 5.502 -3.578) 7.168 10.986 ( -2.177 -0.991 2.275) 3.301 11.070 ( -4.430 0.498 -1.406) 4.675 26.717 ( 1.350 1.839 0.399) 2.316 26.826 ( 4.011 -3.400 3.428) 6.277 27.157 ( -0.955 -3.540 0.141) 3.670 27.294 ( 1.607 3.267 -0.836) 3.736 27.705 ( 3.050 15.572 -3.925) 16.346 28.251 ( -8.694 -3.471 -1.269) 9.447 29.022 ( 1.179 0.167 -0.053) 1.192 29.112 ( -0.500 0.282 -0.375) 0.686 ======================= Grid point 33 (25/105) ======================= q-point: (-0.71 -0.04 0.38) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 6.964 -5.981 -8.636) 12.604 1.492 ( 0.317 -5.247 -2.573) 5.853 1.749 ( 1.314 -6.811 0.243) 6.941 1.967 ( 2.962 1.528 4.313) 5.451 2.290 ( 0.429 0.159 -1.184) 1.270 2.350 ( -1.552 2.058 2.259) 3.427 3.344 ( 3.700 0.099 -0.925) 3.815 3.506 ( -0.162 -6.551 0.233) 6.557 3.512 ( 1.311 -1.335 2.093) 2.808 3.641 ( 4.642 -4.628 -3.778) 7.566 3.923 ( 3.288 3.270 -2.044) 5.068 4.226 ( -0.673 -5.299 2.550) 5.920 4.397 ( -1.332 4.716 1.801) 5.221 4.661 ( -0.170 -5.515 -8.154) 9.845 4.976 ( 0.672 11.957 -0.792) 12.002 5.096 ( 3.362 -1.236 -0.576) 3.628 5.262 ( -2.894 1.173 11.218) 11.645 5.495 ( -5.178 -0.541 4.426) 6.834 8.183 ( 0.600 3.154 -0.630) 3.272 8.586 ( -5.038 1.046 -1.700) 5.419 9.302 ( 0.670 -3.773 -10.643) 11.311 9.789 ( -2.459 5.346 4.676) 7.516 10.001 ( 6.436 1.460 -1.056) 6.684 10.313 ( -1.530 -6.444 -0.574) 6.648 10.727 ( 0.204 1.552 5.345) 5.570 10.813 ( -4.617 -1.643 -1.061) 5.014 10.979 ( -4.337 -0.114 -0.026) 4.339 11.058 ( 1.722 6.050 -2.300) 6.698 26.737 ( 4.799 -3.346 -1.657) 6.080 26.973 ( 3.979 4.562 5.454) 8.148 27.073 ( -2.215 -0.337 -0.815) 2.384 27.310 ( 1.506 -3.744 -1.894) 4.458 27.847 ( -11.385 -2.391 -7.986) 14.110 28.159 ( -1.828 11.818 1.505) 12.053 29.037 ( 0.400 -0.206 -0.185) 0.487 29.099 ( -1.089 0.053 0.238) 1.116 ======================= Grid point 34 (26/105) ======================= q-point: (-0.71 -0.04 0.49) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -5.155 -2.563 -0.495) 5.778 1.446 ( 6.873 -9.104 -5.389) 12.616 1.656 ( 1.234 -5.104 0.590) 5.284 2.050 ( 2.688 0.369 3.683) 4.575 2.281 ( -2.328 2.092 -1.356) 3.411 2.353 ( -0.701 -0.243 1.296) 1.493 3.287 ( -2.604 -8.578 -2.509) 9.309 3.436 ( 4.201 -0.890 3.118) 5.307 3.501 ( 1.139 -2.036 0.327) 2.356 3.678 ( 1.012 0.682 -5.337) 5.475 3.977 ( -0.689 -0.619 -3.462) 3.584 4.221 ( 1.963 2.416 9.325) 9.831 4.470 ( -1.117 3.513 -4.938) 6.162 4.643 ( 6.886 -1.572 -8.670) 11.183 5.000 ( -0.689 -7.366 4.686) 8.757 5.096 ( -4.163 1.895 -5.861) 7.435 5.389 ( 3.644 6.377 2.931) 7.908 5.512 ( 1.230 6.936 11.804) 13.746 8.260 ( 0.616 1.881 -2.224) 2.977 8.472 ( -5.936 0.133 1.386) 6.097 9.217 ( -3.209 -1.129 -5.538) 6.499 9.903 ( 2.385 4.840 2.570) 5.977 9.957 ( -3.459 -7.279 -6.436) 10.314 10.357 ( 8.299 2.647 4.110) 9.632 10.626 ( -9.381 -1.112 1.917) 9.639 10.811 ( 1.825 1.757 1.004) 2.725 10.909 ( -1.807 1.158 2.852) 3.569 11.186 ( 1.216 3.010 -3.715) 4.934 26.771 ( 4.018 -3.143 -2.934) 5.885 27.010 ( -4.243 1.683 -0.750) 4.626 27.139 ( -0.147 3.817 4.350) 5.789 27.267 ( 9.670 -8.562 -0.435) 12.923 27.502 ( -13.176 -2.487 -4.582) 14.170 28.309 ( -6.015 9.018 0.709) 10.863 29.031 ( 0.015 -0.979 -0.682) 1.193 29.076 ( -0.539 -0.197 1.118) 1.257 ======================= Grid point 36 (27/105) ======================= q-point: ( 0.29 -0.04 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -7.862 -1.281 3.148) 8.565 1.326 ( -0.695 -8.922 1.027) 9.007 1.561 ( -5.228 -0.092 0.217) 5.234 2.078 ( -4.049 3.230 -3.850) 6.453 2.273 ( -2.705 -1.076 1.775) 3.410 2.350 ( 5.902 -1.794 -0.828) 6.223 3.089 ( -2.120 -4.553 -1.461) 5.231 3.450 ( -0.859 -1.624 -1.798) 2.571 3.496 ( 1.077 -0.339 5.808) 5.917 3.712 ( -0.825 2.675 -3.616) 4.573 3.938 ( -0.419 -1.868 -6.158) 6.449 4.252 ( -7.540 3.952 4.491) 9.625 4.470 ( -1.531 -1.540 4.190) 4.719 4.812 ( 0.890 0.018 -6.479) 6.540 4.869 ( 10.629 -7.242 -2.092) 13.030 4.983 ( -3.697 -1.057 -5.046) 6.344 5.607 ( 7.150 3.890 -3.801) 8.983 5.711 ( 1.202 6.686 13.920) 15.489 8.216 ( -5.941 -0.590 -2.559) 6.496 8.421 ( 0.405 0.692 5.630) 5.687 9.115 ( -7.256 1.067 -1.975) 7.596 9.713 ( -5.990 -5.586 -2.786) 8.652 10.070 ( 6.048 2.732 1.347) 6.771 10.370 ( -11.896 -1.517 3.178) 12.406 10.621 ( 8.328 4.533 0.926) 9.527 10.829 ( 0.971 -0.595 -0.918) 1.463 10.984 ( 2.157 2.639 3.727) 5.051 11.228 ( -0.128 0.084 -3.618) 3.621 26.713 ( -2.743 -4.441 0.480) 5.242 26.922 ( -4.218 -0.126 -2.741) 5.032 27.176 ( 1.456 2.017 -0.619) 2.563 27.283 ( -4.122 -1.621 -0.708) 4.485 27.400 ( 12.214 -3.640 4.456) 13.501 28.323 ( -6.981 6.996 1.542) 10.002 28.996 ( -0.057 -1.916 -0.356) 1.949 29.083 ( 0.529 0.674 1.001) 1.318 ======================= Grid point 38 (28/105) ======================= q-point: ( 0.29 -0.04 -0.18) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -12.165 -2.292 7.804) 14.634 0.844 ( -8.693 3.528 15.250) 17.905 1.415 ( -20.535 10.873 3.293) 23.468 1.941 ( 3.617 0.628 -3.945) 5.389 2.364 ( 0.956 -4.032 -2.231) 4.706 2.464 ( 1.747 4.847 -5.723) 7.701 3.094 ( -1.910 8.549 2.389) 9.080 3.238 ( -12.338 -1.049 2.784) 12.692 3.535 ( 2.566 -0.802 -1.444) 3.052 3.612 ( -0.350 -3.092 -4.691) 5.629 3.888 ( 1.402 1.302 4.100) 4.524 3.929 ( -1.657 2.666 -0.848) 3.252 4.278 ( -3.200 0.511 9.504) 10.041 4.652 ( -1.274 4.419 0.943) 4.695 4.877 ( -5.030 -0.581 -13.668) 14.576 5.366 ( 7.450 3.609 -0.221) 8.281 5.607 ( -6.792 -4.112 -0.024) 7.940 5.983 ( 6.699 -3.034 -7.293) 10.357 7.966 ( -2.052 -0.186 9.993) 10.204 8.522 ( -0.443 3.761 2.112) 4.336 8.732 ( -9.504 0.377 3.919) 10.287 9.414 ( -4.288 2.830 4.564) 6.872 9.925 ( -8.027 3.319 3.441) 9.343 10.431 ( 8.715 -3.031 -2.391) 9.532 10.849 ( 1.664 -0.451 -0.914) 1.951 10.924 ( -1.267 -4.073 2.412) 4.900 11.097 ( 1.928 4.014 -0.702) 4.508 11.167 ( 1.603 -3.342 -2.236) 4.328 26.660 ( 3.754 3.355 6.990) 8.614 26.744 ( -2.042 -2.827 -1.916) 3.979 27.099 ( -3.457 2.221 -3.679) 5.515 27.332 ( -1.455 -0.261 6.194) 6.368 27.626 ( 7.861 -4.755 4.272) 10.132 28.446 ( 0.815 -0.740 -1.508) 1.867 28.978 ( -0.725 1.642 -0.335) 1.826 29.127 ( 0.513 -0.323 1.413) 1.537 ======================= Grid point 39 (29/105) ======================= q-point: ( 0.29 -0.04 -0.07) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.432 9.542 11.398) 14.871 0.852 ( 7.815 19.869 8.362) 22.930 1.185 ( -19.819 9.866 5.731) 22.869 1.950 ( -1.383 -1.842 -3.597) 4.271 2.303 ( 0.534 -2.404 -4.944) 5.524 2.524 ( -1.559 -0.196 -3.655) 3.978 3.020 ( -5.899 1.477 5.175) 7.985 3.259 ( -1.125 8.388 -0.048) 8.463 3.546 ( -0.031 -2.620 -0.169) 2.626 3.628 ( 4.345 1.598 -4.377) 6.371 3.921 ( -2.628 0.757 -1.805) 3.277 3.966 ( -0.884 3.692 2.731) 4.677 4.314 ( -1.201 5.359 10.409) 11.769 4.727 ( -8.275 2.858 -4.327) 9.765 4.810 ( 3.711 5.920 -7.545) 10.283 5.347 ( -3.803 -8.578 -6.218) 11.257 5.596 ( 4.585 5.188 4.601) 8.313 5.968 ( 3.225 -7.805 -7.264) 11.139 7.983 ( -0.059 3.509 8.776) 9.452 8.495 ( -3.038 -1.673 3.659) 5.041 8.731 ( -0.808 9.438 3.205) 10.000 9.437 ( -3.104 6.081 4.505) 8.180 9.908 ( -3.125 6.733 3.762) 8.322 10.442 ( 3.018 -8.344 -2.320) 9.171 10.818 ( 1.076 -2.358 -1.140) 2.831 10.917 ( 2.987 -0.420 2.682) 4.036 11.084 ( -1.577 -2.647 0.003) 3.081 11.201 ( 1.420 0.655 -2.839) 3.242 26.628 ( -2.582 -1.743 3.760) 4.883 26.825 ( 2.434 2.591 -1.191) 3.750 27.093 ( -2.631 2.661 -1.771) 4.140 27.309 ( 0.294 0.384 3.812) 3.842 27.742 ( 5.749 -0.922 7.582) 9.560 28.316 ( -0.509 -7.893 -2.567) 8.315 28.984 ( -1.478 0.955 -0.211) 1.772 29.123 ( 0.394 -0.929 1.802) 2.066 ======================= Grid point 40 (30/105) ======================= q-point: ( 0.06 -0.06 0.06) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( 0.481 13.642 -0.000) 13.651 0.361 ( -23.610 16.998 -0.000) 29.093 0.575 ( 15.640 27.342 0.000) 31.499 2.081 ( 1.927 -8.250 0.000) 8.472 2.539 ( 2.345 -2.830 0.000) 3.675 2.556 ( -2.375 -1.351 -0.000) 2.732 2.789 ( 1.393 4.415 -0.000) 4.630 3.031 ( -2.643 9.438 -0.000) 9.801 3.654 ( -0.073 -4.581 0.000) 4.582 3.716 ( -0.024 0.573 -0.000) 0.574 3.832 ( -0.488 0.169 -0.000) 0.516 3.887 ( -0.830 0.886 -0.000) 1.214 4.054 ( 0.086 3.556 -0.000) 3.557 4.537 ( -1.296 3.131 -0.000) 3.388 4.761 ( 1.907 13.016 -0.000) 13.155 5.513 ( -1.420 -5.637 0.000) 5.813 5.580 ( 1.347 0.681 0.000) 1.510 6.238 ( 0.093 -4.570 0.000) 4.571 7.758 ( -0.173 3.339 -0.000) 3.343 8.435 ( 0.048 -0.542 0.000) 0.544 8.529 ( 0.231 5.811 -0.000) 5.816 9.224 ( -0.049 4.445 -0.000) 4.445 9.710 ( 0.074 3.554 -0.000) 3.555 10.703 ( -0.231 -10.118 0.000) 10.120 10.902 ( -0.005 -0.724 0.000) 0.724 10.912 ( 0.859 1.877 0.000) 2.064 11.011 ( -0.441 3.660 -0.000) 3.687 11.274 ( -0.100 -1.898 0.000) 1.900 26.633 ( 0.409 -6.369 0.000) 6.382 26.855 ( -2.381 -0.248 -0.000) 2.394 26.983 ( 2.000 7.577 -0.000) 7.836 27.155 ( -1.011 3.049 -0.000) 3.212 27.793 ( -1.010 -3.475 0.000) 3.619 28.572 ( 1.877 -6.679 0.000) 6.938 28.943 ( -0.046 1.463 -0.000) 1.464 29.108 ( 0.047 -0.035 0.000) 0.059 ======================= Grid point 41 (31/105) ======================= q-point: ( 0.06 -0.06 0.17) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -1.849 14.971 -0.000) 15.085 0.647 ( 5.535 14.484 0.000) 15.505 1.376 ( 10.369 22.591 0.000) 24.856 1.982 ( 2.222 -3.949 0.000) 4.531 2.390 ( -6.276 -4.331 -0.000) 7.626 2.537 ( 2.565 -3.532 0.000) 4.365 3.066 ( 11.703 3.736 0.000) 12.285 3.204 ( -1.956 15.417 -0.000) 15.541 3.534 ( -1.476 -4.308 -0.000) 4.554 3.718 ( -1.031 0.388 -0.000) 1.101 3.802 ( -1.313 -0.117 -0.000) 1.318 3.976 ( 5.271 1.636 0.000) 5.519 4.137 ( 0.158 3.002 -0.000) 3.006 4.643 ( 5.495 1.167 0.000) 5.618 5.109 ( 1.461 12.522 -0.000) 12.607 5.299 ( -1.415 -11.816 0.000) 11.901 5.593 ( -2.435 1.462 -0.000) 2.840 6.069 ( -3.788 -7.702 -0.000) 8.583 7.857 ( 1.107 4.525 -0.000) 4.658 8.492 ( 4.874 0.113 0.000) 4.875 8.688 ( -0.986 10.356 -0.000) 10.403 9.370 ( 2.828 5.819 0.000) 6.470 9.886 ( 4.764 9.231 0.000) 10.388 10.449 ( -3.143 -10.212 0.000) 10.684 10.864 ( -1.105 -1.836 -0.000) 2.143 10.895 ( -4.940 1.176 -0.000) 5.079 11.102 ( 4.924 -1.022 0.000) 5.029 11.194 ( -3.395 -2.004 -0.000) 3.942 26.572 ( 3.617 -2.205 0.000) 4.237 26.772 ( -3.424 0.792 -0.000) 3.514 27.195 ( 1.356 -0.421 0.000) 1.420 27.209 ( 2.950 6.873 0.000) 7.479 27.578 ( -5.780 -7.682 -0.000) 9.614 28.465 ( -2.407 -3.833 -0.000) 4.526 28.984 ( 1.670 0.509 0.000) 1.746 29.108 ( -0.157 0.087 -0.000) 0.179 ======================= Grid point 42 (32/105) ======================= q-point: ( 0.06 -0.06 0.28) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 14.243 14.448 0.000) 20.288 1.046 ( 4.511 13.466 -0.000) 14.202 1.887 ( 5.655 8.116 0.000) 9.892 2.016 ( 0.793 4.719 -0.000) 4.785 2.173 ( -4.886 -4.316 -0.000) 6.519 2.486 ( 0.609 -4.476 0.000) 4.518 3.329 ( 9.387 2.089 0.000) 9.617 3.442 ( -0.505 -2.338 0.000) 2.392 3.600 ( 6.398 14.356 0.000) 15.717 3.693 ( -1.650 0.201 -0.000) 1.662 3.778 ( -2.582 1.999 -0.000) 3.266 4.093 ( 4.463 -1.395 0.000) 4.677 4.173 ( -1.177 1.876 -0.000) 2.215 4.767 ( 4.441 1.272 0.000) 4.620 4.991 ( -0.047 -15.773 0.000) 15.773 5.261 ( -2.226 3.290 -0.000) 3.972 5.516 ( -5.694 -1.795 -0.000) 5.970 5.787 ( -7.895 -6.764 -0.000) 10.396 7.970 ( 2.338 2.874 0.000) 3.705 8.579 ( 1.009 1.023 0.000) 1.437 8.925 ( 1.947 11.697 -0.000) 11.858 9.568 ( 5.549 5.311 0.000) 7.681 10.161 ( -4.966 -9.719 -0.000) 10.914 10.258 ( 7.066 13.205 0.000) 14.977 10.764 ( -6.393 -2.421 -0.000) 6.836 10.786 ( -1.224 -2.930 -0.000) 3.176 11.069 ( -5.535 -0.693 -0.000) 5.578 11.141 ( 2.823 -3.378 0.000) 4.402 26.620 ( 4.474 -2.564 0.000) 5.157 26.897 ( 4.829 11.401 0.000) 12.381 27.156 ( 2.081 -7.279 0.000) 7.571 27.335 ( -1.686 -6.604 0.000) 6.816 27.363 ( -0.604 5.896 -0.000) 5.927 28.316 ( -7.661 -0.505 -0.000) 7.678 29.023 ( 1.508 -0.035 0.000) 1.509 29.104 ( -0.779 0.387 -0.000) 0.870 ======================= Grid point 43 (33/105) ======================= q-point: ( 0.06 -0.06 0.39) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 3.736 10.440 0.000) 11.088 1.446 ( 12.878 9.596 0.000) 16.060 1.949 ( 3.117 -3.801 0.000) 4.916 2.031 ( -0.352 -4.282 0.000) 4.296 2.161 ( -3.694 6.999 -0.000) 7.914 2.391 ( -2.089 -3.257 -0.000) 3.869 3.425 ( 1.797 -0.365 0.000) 1.834 3.518 ( 6.386 -2.703 0.000) 6.935 3.667 ( -1.043 0.255 -0.000) 1.074 3.770 ( -0.493 4.358 -0.000) 4.386 3.873 ( 4.836 -4.788 0.000) 6.805 4.185 ( -1.605 2.284 -0.000) 2.791 4.257 ( 1.892 16.209 -0.000) 16.319 4.672 ( 1.189 -16.303 0.000) 16.347 4.898 ( 3.724 3.170 0.000) 4.891 5.204 ( -1.872 -3.056 -0.000) 3.584 5.268 ( -6.864 -7.734 -0.000) 10.341 5.519 ( -10.170 -1.071 -0.000) 10.226 8.081 ( 4.657 1.218 0.000) 4.813 8.554 ( -5.755 1.400 -0.000) 5.923 9.233 ( 4.501 11.259 0.000) 12.125 9.825 ( 8.912 4.901 0.000) 10.170 9.840 ( -6.502 -9.780 -0.000) 11.745 10.543 ( -8.474 -3.765 -0.000) 9.273 10.638 ( 4.921 6.905 0.000) 8.479 10.742 ( 1.826 2.446 0.000) 3.053 10.946 ( -6.146 0.558 -0.000) 6.171 11.070 ( -0.297 -6.091 0.000) 6.099 26.701 ( 4.901 1.324 0.000) 5.077 27.029 ( -0.031 -5.552 0.000) 5.552 27.220 ( 3.914 -7.920 0.000) 8.834 27.311 ( 9.042 8.457 0.000) 12.381 27.463 ( -3.263 11.431 -0.000) 11.888 28.115 ( -9.939 -2.045 -0.000) 10.147 29.044 ( 0.804 -0.196 0.000) 0.827 29.091 ( -1.218 0.419 -0.000) 1.288 ======================= Grid point 44 (34/105) ======================= q-point: ( 0.06 -0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -3.914 -5.045 -0.000) 6.386 1.615 ( 2.515 4.905 0.000) 5.512 1.964 ( 4.064 -6.780 0.000) 7.905 2.047 ( 7.272 -1.233 0.000) 7.376 2.193 ( -1.180 5.617 -0.000) 5.740 2.246 ( -7.289 -1.176 -0.000) 7.383 3.487 ( 0.812 -4.348 0.000) 4.423 3.503 ( 4.760 0.898 0.000) 4.844 3.668 ( 1.093 -1.001 0.000) 1.482 3.728 ( -4.211 -0.275 -0.000) 4.220 4.006 ( 8.408 0.850 0.000) 8.451 4.188 ( -5.354 2.891 -0.000) 6.085 4.351 ( -1.008 -13.018 0.000) 13.057 4.674 ( 1.578 17.902 -0.000) 17.971 5.021 ( -3.409 -5.161 -0.000) 6.185 5.057 ( 4.385 5.054 0.000) 6.691 5.134 ( 3.868 -4.238 0.000) 5.738 5.317 ( -7.897 0.173 -0.000) 7.898 8.220 ( 7.089 0.435 0.000) 7.103 8.420 ( -9.486 1.539 -0.000) 9.610 9.501 ( -7.290 -8.873 -0.000) 11.484 9.563 ( 5.868 10.046 0.000) 11.634 10.122 ( 10.524 4.158 0.000) 11.316 10.266 ( -10.569 -3.964 -0.000) 11.288 10.715 ( 4.396 -0.803 0.000) 4.469 10.847 ( -4.813 1.011 -0.000) 4.918 10.877 ( -4.065 -8.149 -0.000) 9.106 10.991 ( 3.192 8.612 0.000) 9.184 26.859 ( 4.832 3.673 0.000) 6.069 26.928 ( -4.034 -0.717 -0.000) 4.098 27.164 ( 8.030 -9.362 0.000) 12.334 27.435 ( 0.272 1.749 -0.000) 1.770 27.795 ( -12.555 -6.609 -0.000) 14.188 27.799 ( 2.300 13.353 -0.000) 13.550 29.052 ( 0.557 -0.286 0.000) 0.626 29.074 ( -1.009 0.234 -0.000) 1.036 ======================= Grid point 46 (35/105) ======================= q-point: ( 0.06 -0.06 -0.39) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -7.718 -7.919 -0.000) 11.058 1.560 ( -10.657 -3.953 -0.000) 11.367 1.873 ( 4.424 -11.592 0.000) 12.408 2.090 ( 0.816 0.963 0.000) 1.262 2.132 ( -5.536 4.376 -0.000) 7.057 2.355 ( 5.659 2.368 0.000) 6.134 3.435 ( 0.574 -1.506 0.000) 1.612 3.566 ( -0.556 -10.469 0.000) 10.484 3.616 ( 4.020 -1.521 0.000) 4.298 3.688 ( -2.043 2.343 -0.000) 3.108 3.952 ( -7.488 -5.430 -0.000) 9.250 4.124 ( 2.360 0.000 0.000) 2.360 4.309 ( -5.084 9.297 -0.000) 10.597 4.887 ( -1.531 -2.953 -0.000) 3.326 5.010 ( 0.681 12.544 -0.000) 12.563 5.204 ( 9.443 -3.088 0.000) 9.935 5.208 ( -2.081 -1.746 -0.000) 2.717 5.338 ( 8.786 8.971 0.000) 12.557 8.249 ( -9.823 1.438 -0.000) 9.928 8.368 ( 7.339 -1.305 0.000) 7.454 9.191 ( -8.017 -5.602 -0.000) 9.780 9.881 ( 7.247 7.569 0.000) 10.479 9.950 ( -11.405 -4.295 -0.000) 12.187 10.419 ( 10.063 3.723 0.000) 10.729 10.571 ( -7.355 -9.659 -0.000) 12.141 10.803 ( -2.410 2.036 -0.000) 3.155 10.828 ( 5.537 1.444 0.000) 5.723 11.174 ( 1.025 4.887 -0.000) 4.994 26.834 ( -5.722 1.821 -0.000) 6.005 27.039 ( 4.636 4.284 0.000) 6.312 27.125 ( 4.957 -10.812 0.000) 11.894 27.373 ( -11.444 -6.222 -0.000) 13.026 27.485 ( 0.031 2.940 -0.000) 2.940 28.016 ( 0.945 5.211 -0.000) 5.296 29.059 ( -0.610 -0.234 -0.000) 0.653 29.059 ( 0.891 -0.331 0.000) 0.951 ======================= Grid point 47 (36/105) ======================= q-point: ( 0.06 -0.06 -0.28) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -9.434 -7.108 -0.000) 11.812 1.147 ( -21.500 0.463 -0.000) 21.505 1.622 ( -1.829 -16.107 0.000) 16.211 2.093 ( -4.329 -0.269 -0.000) 4.338 2.174 ( 3.179 3.690 0.000) 4.870 2.501 ( 4.713 1.014 0.000) 4.821 3.251 ( -3.186 -13.405 0.000) 13.778 3.454 ( 1.996 0.722 0.000) 2.122 3.512 ( -5.195 -6.507 -0.000) 8.327 3.709 ( -1.284 2.394 -0.000) 2.717 3.838 ( -4.172 4.664 -0.000) 6.258 4.144 ( -0.090 0.293 -0.000) 0.306 4.296 ( -7.891 0.108 -0.000) 7.892 4.883 ( -2.716 5.736 -0.000) 6.346 5.090 ( 0.186 -8.869 0.000) 8.870 5.251 ( 4.676 5.348 0.000) 7.104 5.351 ( 6.203 1.150 0.000) 6.309 5.725 ( 10.688 7.535 0.000) 13.078 8.072 ( -8.892 0.047 -0.000) 8.893 8.447 ( 5.249 -3.711 0.000) 6.429 8.932 ( -9.993 -1.843 -0.000) 10.161 9.640 ( -9.905 -3.942 -0.000) 10.661 10.177 ( 8.792 5.125 0.000) 10.177 10.197 ( -9.600 -8.692 -0.000) 12.951 10.676 ( 7.001 3.733 0.000) 7.934 10.826 ( 0.221 1.942 -0.000) 1.955 10.981 ( 5.325 1.925 0.000) 5.662 11.239 ( -1.193 1.833 -0.000) 2.188 26.749 ( -3.221 -5.413 -0.000) 6.299 26.861 ( -8.280 0.154 -0.000) 8.282 27.216 ( 1.037 -4.236 0.000) 4.361 27.220 ( 4.506 3.036 0.000) 5.434 27.543 ( -2.533 5.085 -0.000) 5.680 28.134 ( 6.443 1.009 0.000) 6.521 29.032 ( -0.537 -1.247 -0.000) 1.358 29.077 ( 1.090 0.018 0.000) 1.090 ======================= Grid point 48 (37/105) ======================= q-point: ( 0.06 -0.06 -0.17) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -12.056 -5.412 -0.000) 13.215 0.805 ( -24.408 12.513 -0.000) 27.429 1.118 ( -10.469 -20.517 -0.000) 23.034 1.987 ( 1.246 -3.631 0.000) 3.838 2.363 ( 5.400 4.888 0.000) 7.283 2.569 ( 2.038 -1.235 0.000) 2.383 2.954 ( -3.759 -7.641 -0.000) 8.516 3.261 ( -10.054 -1.469 -0.000) 10.161 3.541 ( 3.968 1.425 0.000) 4.216 3.723 ( -0.862 1.025 -0.000) 1.340 3.846 ( -2.575 2.023 -0.000) 3.275 4.061 ( -6.713 -5.604 -0.000) 8.745 4.126 ( -2.243 -0.101 -0.000) 2.245 4.769 ( -5.420 -9.086 -0.000) 10.579 4.951 ( -6.958 1.883 -0.000) 7.208 5.410 ( 8.362 -2.521 0.000) 8.734 5.500 ( 0.415 6.016 -0.000) 6.030 6.052 ( 8.860 4.030 0.000) 9.733 7.889 ( -6.940 -1.446 -0.000) 7.089 8.447 ( 2.584 -3.519 0.000) 4.365 8.698 ( -10.410 -0.007 -0.000) 10.410 9.388 ( -7.431 -3.089 -0.000) 8.047 9.868 ( -7.733 -4.553 -0.000) 8.974 10.457 ( 10.052 3.070 0.000) 10.510 10.850 ( 1.510 4.412 0.000) 4.664 10.873 ( 1.063 0.951 0.000) 1.426 11.083 ( 2.756 -2.094 0.000) 3.461 11.233 ( -0.841 1.367 -0.000) 1.605 26.572 ( 0.604 -3.689 0.000) 3.738 26.850 ( -2.791 4.601 -0.000) 5.381 27.123 ( -2.369 -3.873 -0.000) 4.540 27.260 ( -2.517 -1.418 -0.000) 2.889 27.653 ( 2.124 6.344 -0.000) 6.690 28.347 ( 10.524 1.545 0.000) 10.637 28.988 ( -0.799 -1.592 -0.000) 1.782 29.099 ( 0.609 0.245 0.000) 0.657 ======================= Grid point 50 (38/105) ======================= q-point: (-0.18 -0.07 0.07) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 18.602 -12.536 -10.285) 24.677 0.660 ( -14.556 -23.343 -7.088) 28.408 0.669 ( -0.113 -4.177 -24.918) 25.266 2.059 ( -1.405 8.466 2.908) 9.061 2.350 ( -1.490 -0.540 12.604) 12.704 2.438 ( 2.258 -3.785 8.286) 9.385 2.932 ( -1.177 -1.980 -8.478) 8.785 3.082 ( 1.232 -7.865 -3.556) 8.719 3.612 ( 0.461 2.925 3.823) 4.836 3.649 ( -0.066 -0.604 4.423) 4.465 3.881 ( 0.019 1.072 -1.760) 2.061 3.896 ( 0.652 -0.213 -4.215) 4.270 4.188 ( 0.368 -4.088 -9.250) 10.119 4.552 ( 0.530 -2.918 -1.397) 3.278 4.688 ( -1.014 -8.823 5.106) 10.244 5.451 ( -0.167 4.789 5.598) 7.369 5.545 ( 0.077 -3.593 3.813) 5.240 6.120 ( -0.083 3.527 10.212) 10.804 7.948 ( 0.077 0.717 -16.234) 16.250 8.468 ( 0.113 -0.114 -2.577) 2.582 8.557 ( -0.316 -6.344 -2.657) 6.885 9.306 ( 0.095 -3.104 -7.348) 7.978 9.775 ( -0.078 -3.136 -5.635) 6.449 10.645 ( 0.185 7.124 6.189) 9.438 10.874 ( -0.696 1.813 0.365) 1.976 10.934 ( 0.285 -2.254 -1.562) 2.757 11.043 ( 0.083 -1.969 -1.825) 2.686 11.246 ( 0.087 2.158 2.577) 3.362 26.714 ( -1.488 5.585 -3.585) 6.801 26.807 ( 2.209 0.488 2.780) 3.584 26.973 ( -0.107 -5.025 -2.720) 5.715 27.260 ( -0.492 -4.096 -7.462) 8.527 27.846 ( 2.406 3.101 -4.606) 6.051 28.281 ( -2.570 -18.930 20.165) 27.777 28.939 ( 0.082 -1.026 -0.345) 1.086 29.141 ( 0.021 0.432 -2.577) 2.613 ======================= Grid point 53 (39/105) ======================= q-point: (-0.18 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 8.267 4.350 -6.363) 11.302 1.183 ( 18.910 0.871 -4.160) 19.382 1.666 ( 1.605 15.263 -3.682) 15.783 1.967 ( 2.083 -1.036 6.881) 7.264 2.260 ( -0.511 -1.143 -3.036) 3.284 2.481 ( -4.413 -0.725 1.678) 4.777 3.228 ( 0.296 11.253 1.265) 11.328 3.475 ( 4.265 5.016 2.839) 7.170 3.530 ( 1.229 -0.595 -5.337) 5.508 3.587 ( 2.867 -1.297 4.715) 5.668 3.949 ( 0.588 -1.359 0.307) 1.513 4.042 ( 4.488 -1.683 0.476) 4.817 4.405 ( 3.387 -3.093 -5.484) 7.149 4.803 ( 1.258 -0.664 4.206) 4.440 4.920 ( 3.374 1.616 7.133) 8.054 5.255 ( -10.248 5.987 5.967) 13.284 5.528 ( 0.709 -8.793 -10.959) 14.068 5.687 ( -9.299 -5.505 3.047) 11.228 8.081 ( 6.011 -0.360 -1.446) 6.193 8.496 ( -4.187 2.406 -3.904) 6.210 8.950 ( 8.390 2.341 -1.944) 8.925 9.672 ( 8.575 4.768 -2.502) 10.126 10.078 ( -1.150 -1.861 3.197) 3.874 10.287 ( 2.253 2.896 -2.411) 4.391 10.701 ( -6.385 -2.107 -2.371) 7.129 10.839 ( -1.123 -1.867 -1.063) 2.424 10.989 ( -3.948 -2.451 -0.726) 4.704 11.199 ( 0.846 -1.919 3.499) 4.080 26.729 ( 2.861 2.560 1.834) 4.255 26.888 ( 6.556 2.761 -2.630) 7.584 27.150 ( -2.814 2.411 3.951) 5.416 27.256 ( -1.203 -2.027 -1.597) 2.847 27.627 ( 0.366 -5.234 -7.119) 8.843 28.149 ( -6.056 -0.773 -1.283) 6.239 29.025 ( 0.389 1.148 0.402) 1.277 29.094 ( -1.074 -0.220 -1.191) 1.618 ======================= Grid point 54 (40/105) ======================= q-point: (-0.18 -0.07 0.51) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 6.194 6.222 -1.325) 8.878 1.563 ( 8.098 4.473 -0.361) 9.258 1.891 ( -4.508 10.226 -1.116) 11.231 2.014 ( 5.293 -0.745 3.489) 6.383 2.200 ( 0.172 -3.932 -2.953) 4.920 2.351 ( -4.578 -2.100 0.424) 5.054 3.411 ( -0.531 5.502 2.245) 5.966 3.511 ( 1.690 -1.415 3.776) 4.372 3.610 ( -1.867 5.039 -2.175) 5.797 3.723 ( -0.914 5.880 -0.994) 6.033 3.939 ( 3.659 -0.633 4.141) 5.562 4.142 ( 6.196 2.369 -4.555) 8.047 4.325 ( 0.386 -6.959 -1.650) 7.163 4.829 ( -2.940 2.859 4.183) 5.858 4.915 ( 2.437 -7.890 6.684) 10.624 5.193 ( -3.714 1.577 1.986) 4.497 5.258 ( -5.828 -7.517 -2.322) 9.791 5.452 ( -3.574 -3.935 -8.744) 10.233 8.208 ( 6.238 0.047 2.849) 6.857 8.414 ( -4.631 -0.993 -3.465) 5.869 9.184 ( 6.271 5.946 0.135) 8.643 9.851 ( -5.649 -7.861 2.398) 9.973 9.970 ( 9.233 5.595 -1.200) 10.863 10.444 ( -6.203 -2.468 -0.946) 6.743 10.581 ( 3.286 6.748 -2.400) 7.880 10.810 ( 1.214 -1.165 -0.522) 1.762 10.860 ( -3.176 -2.043 -2.450) 4.501 11.128 ( -1.084 -4.899 4.016) 6.427 26.812 ( 4.352 -0.477 1.683) 4.691 27.015 ( -4.121 0.309 1.637) 4.445 27.181 ( -4.072 4.852 -4.042) 7.514 27.319 ( 10.736 4.833 4.039) 12.447 27.531 ( -1.867 -1.219 -3.637) 4.266 28.030 ( -0.522 -5.791 -1.133) 5.924 29.047 ( 0.044 0.584 0.438) 0.732 29.074 ( -0.351 -0.231 -0.683) 0.802 ======================= Grid point 55 (41/105) ======================= q-point: ( 0.82 -0.07 -0.38) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.517 4.246 3.369) 5.445 1.610 ( -0.574 -2.837 0.284) 2.909 1.959 ( -4.549 5.920 0.036) 7.466 2.058 ( -4.941 0.719 -0.436) 5.013 2.187 ( 2.298 -3.051 0.430) 3.843 2.261 ( 4.975 -1.185 -1.101) 5.232 3.434 ( -3.735 1.873 2.040) 4.650 3.536 ( 1.517 -0.747 0.166) 1.699 3.639 ( -2.364 4.188 0.051) 4.810 3.747 ( 1.219 -0.234 -0.468) 1.326 4.015 ( -7.261 1.419 -0.168) 7.400 4.195 ( 3.888 -3.918 -0.458) 5.539 4.395 ( 2.545 11.536 -3.773) 12.401 4.678 ( -0.487 -16.525 0.043) 16.533 4.822 ( -4.277 5.461 9.004) 11.366 5.032 ( 3.137 -6.306 2.529) 7.483 5.274 ( 0.010 5.023 -5.253) 7.268 5.389 ( 3.979 -1.692 -5.538) 7.026 8.221 ( -6.273 -0.093 0.074) 6.274 8.405 ( 8.444 -1.847 1.049) 8.707 9.422 ( -1.425 5.963 4.358) 7.522 9.600 ( 2.617 -6.878 -1.425) 7.495 10.144 ( -9.550 -1.384 -1.352) 9.744 10.303 ( 8.185 2.399 -2.878) 9.002 10.737 ( -2.486 1.459 -1.877) 3.440 10.837 ( 1.902 2.661 1.275) 3.510 10.873 ( 4.916 2.046 -0.392) 5.339 10.956 ( -2.338 -7.567 2.962) 8.456 26.849 ( -4.050 -0.459 0.834) 4.160 26.941 ( 3.148 -1.496 -1.031) 3.634 27.190 ( -6.334 7.988 -2.209) 10.431 27.417 ( -0.455 -2.312 1.587) 2.841 27.709 ( 2.103 1.712 4.051) 4.875 27.870 ( 6.141 -6.646 -2.661) 9.432 29.051 ( -0.520 0.326 0.022) 0.614 29.073 ( 0.912 -0.358 0.056) 0.982 ======================= Grid point 58 (42/105) ======================= q-point: (-0.18 -0.07 -0.26) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -5.331 -8.568 0.999) 10.141 1.486 ( -9.994 -8.081 -2.497) 13.093 1.889 ( -3.139 1.278 3.276) 4.714 2.087 ( -0.055 4.813 -2.691) 5.515 2.159 ( 3.599 -5.170 -0.058) 6.300 2.382 ( 1.991 3.164 0.693) 3.802 3.385 ( -4.422 2.336 2.546) 5.612 3.517 ( -0.464 -2.129 -0.620) 2.265 3.694 ( -1.587 -3.305 1.342) 3.904 3.746 ( -3.326 3.974 2.333) 5.684 3.820 ( -3.364 -0.062 0.614) 3.420 4.254 ( 2.148 -3.103 -2.404) 4.475 4.281 ( -0.852 -13.625 -5.110) 14.577 4.663 ( -1.441 11.322 3.103) 11.828 4.867 ( -1.588 1.099 1.915) 2.720 5.070 ( 1.770 5.836 1.323) 6.241 5.442 ( 5.738 6.040 -0.879) 8.377 5.512 ( 9.498 -1.907 -3.610) 10.338 8.093 ( -3.919 -1.178 -1.524) 4.367 8.540 ( 5.583 -0.473 1.378) 5.770 9.223 ( -4.803 -8.595 0.864) 9.884 9.818 ( 6.462 7.384 1.099) 9.874 9.861 ( -8.988 -4.106 -3.043) 10.340 10.546 ( 6.021 1.506 1.465) 6.377 10.645 ( -3.983 -5.414 -0.788) 6.767 10.770 ( 0.157 -0.233 -3.121) 3.134 10.943 ( 4.998 -0.378 0.404) 5.029 11.037 ( 1.032 5.208 2.636) 5.927 26.713 ( -4.422 -1.647 -1.146) 4.856 27.026 ( -0.168 5.188 0.279) 5.199 27.241 ( -1.736 2.100 -0.354) 2.748 27.331 ( -8.924 -0.042 -2.801) 9.353 27.434 ( 1.325 -12.053 2.093) 12.305 28.121 ( 10.123 2.595 -0.344) 10.456 29.042 ( -0.765 0.080 0.100) 0.776 29.090 ( 1.088 -0.145 0.099) 1.102 ======================= Grid point 59 (43/105) ======================= q-point: (-0.18 -0.07 -0.15) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -12.976 -13.219 -3.848) 18.919 1.127 ( -4.002 -10.500 -6.599) 13.031 1.844 ( -5.031 -1.373 4.768) 7.066 1.989 ( 0.164 -10.222 -0.148) 10.224 2.240 ( 2.723 3.646 -3.985) 6.049 2.466 ( -1.211 3.892 1.789) 4.452 3.301 ( -9.623 1.147 1.942) 9.883 3.438 ( 0.347 -3.099 -0.949) 3.260 3.577 ( 2.548 -5.607 7.682) 9.846 3.624 ( -5.165 -7.061 -0.200) 8.751 3.856 ( -0.010 3.391 -4.316) 5.489 4.021 ( -0.694 -4.663 1.021) 4.823 4.312 ( 0.553 0.261 -7.926) 7.950 4.746 ( -3.327 0.454 3.298) 4.706 4.868 ( -0.458 3.637 6.709) 7.646 5.253 ( -1.088 8.825 -0.049) 8.892 5.620 ( 7.077 -4.482 -4.786) 9.648 5.732 ( 6.903 7.031 4.984) 11.043 8.014 ( -1.052 -1.780 -4.518) 4.969 8.586 ( -0.407 -0.459 -0.242) 0.660 8.958 ( -2.171 -9.838 -2.706) 10.432 9.599 ( -6.474 -4.426 -3.464) 8.573 10.088 ( 3.858 3.568 3.718) 6.437 10.312 ( -4.124 -6.707 -1.749) 8.066 10.767 ( 3.461 3.141 -0.409) 4.691 10.832 ( 2.943 1.997 -3.656) 5.101 11.046 ( 4.517 0.801 2.128) 5.057 11.116 ( -1.552 3.074 1.850) 3.909 26.642 ( -2.694 2.272 -1.574) 3.860 26.913 ( -5.140 -10.319 -1.935) 11.689 27.155 ( -3.393 5.270 0.356) 6.278 27.304 ( 4.152 -2.461 2.823) 5.592 27.428 ( -0.900 6.251 -5.977) 8.696 28.335 ( 7.655 0.499 -1.549) 7.826 29.020 ( -1.424 -0.117 0.182) 1.441 29.109 ( 0.704 0.154 -0.371) 0.811 ======================= Grid point 61 (44/105) ======================= q-point: (-0.42 -0.08 0.08) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 8.140 -3.414 -3.338) 9.437 1.212 ( 0.297 -6.723 -7.097) 9.780 1.511 ( -2.858 -5.664 -3.550) 7.270 1.949 ( -2.487 -8.425 -0.657) 8.809 2.188 ( -3.530 -1.422 6.014) 7.117 2.404 ( 2.429 1.455 0.241) 2.841 3.092 ( -0.838 1.836 -4.211) 4.670 3.367 ( -1.405 -3.527 0.344) 3.812 3.534 ( 1.579 -2.297 0.738) 2.884 3.633 ( 2.318 -3.980 3.914) 6.045 3.858 ( -2.630 2.279 -2.386) 4.219 4.148 ( 2.025 -8.747 -4.199) 9.912 4.496 ( -0.018 1.006 2.866) 3.038 4.678 ( 6.525 -2.288 -2.729) 7.434 4.774 ( -1.381 -4.136 -0.192) 4.365 5.047 ( -4.883 8.347 3.684) 10.348 5.670 ( -0.103 5.313 7.653) 9.317 5.801 ( 0.161 -8.166 5.831) 10.036 8.226 ( -0.444 1.347 -8.916) 9.028 8.524 ( 0.082 0.343 -0.965) 1.027 9.017 ( -0.026 -7.062 -6.779) 9.789 9.590 ( 0.120 -1.788 -6.653) 6.890 10.192 ( -0.352 -10.403 -4.914) 11.510 10.209 ( 1.026 6.070 6.158) 8.707 10.789 ( -1.440 1.545 -0.348) 2.140 10.895 ( -0.190 7.527 1.471) 7.672 11.082 ( 1.562 -2.138 1.503) 3.045 11.136 ( -0.473 0.881 -0.281) 1.039 26.697 ( -0.580 0.595 -3.841) 3.930 26.774 ( -0.668 -3.854 3.011) 4.936 27.147 ( 0.537 -2.617 -0.701) 2.762 27.381 ( -1.099 7.852 -4.512) 9.122 27.656 ( 7.341 11.598 -4.216) 14.359 28.408 ( -6.075 -3.576 -2.681) 7.542 28.971 ( 0.452 0.089 -0.351) 0.579 29.127 ( 0.124 1.390 -0.157) 1.405 ======================= Grid point 62 (45/105) ======================= q-point: (-0.42 -0.08 0.19) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -7.087 -14.461 -5.075) 16.885 1.185 ( 4.181 -4.688 -11.955) 13.505 1.366 ( 13.316 -8.017 -12.662) 20.048 1.850 ( -1.200 0.483 4.424) 4.609 2.160 ( 4.747 -1.413 8.096) 9.491 2.436 ( 1.513 -3.016 4.299) 5.465 3.141 ( 3.158 0.854 -5.416) 6.328 3.266 ( 1.522 -5.630 -0.966) 5.912 3.516 ( -0.812 -1.441 1.498) 2.231 3.565 ( -1.318 -1.802 3.309) 3.992 3.893 ( 0.674 2.935 -1.540) 3.383 4.055 ( 0.259 -4.301 -3.020) 5.262 4.475 ( -0.075 -2.677 -1.812) 3.234 4.657 ( 0.077 -3.845 -0.238) 3.853 4.736 ( 3.993 -3.509 -1.788) 5.608 5.175 ( 2.156 7.649 8.261) 11.462 5.582 ( -2.060 -9.383 6.512) 11.605 5.771 ( -1.320 5.139 10.020) 11.338 8.228 ( -2.766 2.611 -11.478) 12.092 8.568 ( 2.595 0.397 -2.624) 3.712 8.864 ( 1.716 -7.721 -10.191) 12.900 9.583 ( 2.610 -2.363 -8.859) 9.533 10.024 ( 1.160 -5.860 -6.302) 8.684 10.316 ( -2.345 4.986 9.538) 11.015 10.818 ( -0.220 2.927 -0.657) 3.007 10.969 ( -2.010 1.399 -1.423) 2.832 11.084 ( 0.563 1.313 -0.163) 1.438 11.125 ( -1.519 -0.188 3.396) 3.726 26.644 ( -0.386 0.016 2.090) 2.126 26.838 ( 3.877 -0.132 -0.548) 3.917 27.096 ( -1.619 -0.449 -3.119) 3.543 27.413 ( -3.728 2.248 -5.787) 7.242 27.945 ( -4.001 0.366 -10.304) 11.060 28.260 ( 4.115 2.587 1.971) 5.245 28.985 ( 1.193 -0.951 -0.349) 1.565 29.155 ( -0.617 1.353 -0.624) 1.612 ======================= Grid point 63 (46/105) ======================= q-point: (-0.42 -0.08 0.31) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 8.608 1.811 -11.244) 14.276 1.178 ( 2.373 -2.586 -12.664) 13.141 1.496 ( 11.775 -9.286 -3.953) 15.508 1.847 ( 1.540 0.221 2.772) 3.179 2.246 ( 5.060 -3.855 8.762) 10.828 2.368 ( 0.331 -1.995 2.912) 3.545 3.163 ( 0.317 -4.024 -3.842) 5.573 3.297 ( 8.068 -1.124 -1.928) 8.371 3.459 ( -1.386 1.537 3.116) 3.740 3.557 ( 0.021 0.880 1.919) 2.111 3.957 ( -1.797 -2.864 -2.429) 4.164 3.977 ( 3.088 1.798 -4.202) 5.515 4.463 ( 2.693 0.241 -5.565) 6.187 4.606 ( -1.355 -0.059 6.758) 6.893 4.737 ( 4.121 -3.578 -4.890) 7.328 5.288 ( -4.726 -3.970 5.636) 8.358 5.504 ( 8.788 3.409 9.910) 13.677 5.800 ( -3.170 1.501 8.863) 9.532 8.237 ( -2.206 2.861 -12.356) 12.873 8.562 ( -0.311 -2.759 -1.594) 3.202 8.868 ( 7.623 -1.661 -9.675) 12.429 9.580 ( 2.229 -2.627 -10.418) 10.973 10.021 ( 5.554 -1.076 -4.872) 7.466 10.310 ( -5.260 2.279 9.183) 10.826 10.845 ( -1.958 0.180 -0.457) 2.018 10.975 ( 0.387 2.411 -1.482) 2.856 11.051 ( -3.593 -0.674 3.722) 5.217 11.133 ( 0.159 1.286 -0.078) 1.298 26.683 ( 0.671 2.399 2.016) 3.205 26.810 ( 0.482 -6.232 -2.296) 6.659 27.092 ( -0.610 2.366 -5.078) 5.636 27.448 ( -1.203 5.079 -3.897) 6.514 27.754 ( -8.282 0.016 -7.345) 11.069 28.422 ( 4.685 -1.638 0.162) 4.966 28.977 ( 0.674 -1.403 -0.252) 1.576 29.150 ( -1.510 0.605 -0.275) 1.649 ======================= Grid point 66 (47/105) ======================= q-point: ( 0.58 -0.08 -0.36) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -6.033 6.879 5.822) 10.844 1.381 ( -5.826 4.640 1.201) 7.544 1.726 ( -1.270 5.309 -4.762) 7.244 2.106 ( 1.293 -0.492 -1.494) 2.036 2.248 ( 0.589 -2.651 1.823) 3.271 2.370 ( 2.528 1.520 -0.348) 2.970 3.239 ( 2.214 7.322 0.907) 7.703 3.508 ( -0.760 4.070 -4.255) 5.937 3.574 ( -2.457 2.165 -1.071) 3.445 3.582 ( -3.394 -2.663 -0.736) 4.376 3.889 ( 2.368 0.414 4.386) 5.001 4.352 ( -12.830 -1.557 2.578) 13.178 4.432 ( 3.009 -3.796 -1.485) 5.066 4.492 ( 0.570 2.108 0.430) 2.225 4.911 ( 0.842 1.190 6.304) 6.470 5.091 ( 5.728 3.091 0.506) 6.529 5.465 ( 4.361 -5.257 -4.978) 8.452 5.721 ( -3.252 -8.505 -4.781) 10.284 8.156 ( 0.096 -1.216 5.874) 6.000 8.542 ( 1.142 -0.548 -3.795) 4.001 9.140 ( -2.759 1.924 0.892) 3.480 9.794 ( -1.931 7.598 6.945) 10.473 9.943 ( 2.903 -6.377 -0.721) 7.044 10.461 ( -9.354 0.949 -4.791) 10.552 10.666 ( 8.340 -1.142 -0.832) 8.459 10.822 ( 1.222 0.588 -0.163) 1.366 10.986 ( 0.349 -3.544 -3.537) 5.019 11.090 ( -0.282 -2.794 4.246) 5.091 26.702 ( -2.660 1.763 3.146) 4.482 26.998 ( 5.575 0.218 0.502) 5.602 27.173 ( -3.196 5.744 1.293) 6.699 27.310 ( -7.761 -0.199 -3.254) 8.418 27.396 ( 6.675 1.676 3.382) 7.669 28.318 ( 4.165 -8.209 -0.016) 9.205 29.021 ( -0.047 1.332 0.211) 1.349 29.097 ( 0.358 -0.338 -0.750) 0.897 ======================= Grid point 67 (48/105) ======================= q-point: ( 0.58 -0.08 -0.25) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -5.810 7.157 6.777) 11.441 1.406 ( -5.185 10.067 5.275) 12.492 1.805 ( -1.177 4.466 -4.513) 6.457 2.002 ( -6.628 -1.961 0.786) 6.956 2.263 ( 2.309 -1.180 1.569) 3.031 2.405 ( 1.825 -2.748 -2.415) 4.088 3.364 ( -3.613 -1.295 -2.850) 4.781 3.455 ( -0.619 3.411 1.854) 3.932 3.547 ( -5.343 5.166 0.457) 7.446 3.677 ( 0.092 7.210 -6.016) 9.391 3.861 ( -2.718 -4.178 2.780) 5.708 4.159 ( -2.973 3.698 6.949) 8.415 4.408 ( 2.019 -1.523 2.683) 3.687 4.658 ( 5.116 4.697 -7.051) 9.897 4.898 ( -1.043 -2.872 3.749) 4.837 5.171 ( -0.693 -3.524 -5.050) 6.196 5.434 ( 5.803 -8.736 -4.443) 11.390 5.573 ( 2.952 0.238 -1.694) 3.412 8.137 ( -0.576 0.094 3.336) 3.387 8.553 ( 2.855 -2.672 1.082) 4.057 9.123 ( -4.948 4.922 5.558) 8.922 9.829 ( -2.595 1.327 0.168) 2.919 9.955 ( 3.200 -1.145 2.565) 4.258 10.353 ( -4.336 3.837 -3.795) 6.923 10.754 ( 2.618 -1.822 4.029) 5.139 10.823 ( 0.989 -2.610 -1.490) 3.163 10.956 ( 1.593 -2.037 1.608) 3.045 11.056 ( 3.023 -1.849 -2.910) 4.585 26.714 ( -1.484 3.240 0.412) 3.587 27.051 ( -2.833 1.176 0.651) 3.136 27.106 ( -3.580 -2.304 -5.730) 7.138 27.258 ( -1.228 3.302 2.468) 4.301 27.654 ( 9.753 2.917 9.111) 13.661 28.170 ( 1.036 -10.064 0.473) 10.128 29.035 ( -0.467 0.452 -0.078) 0.655 29.100 ( 0.829 -0.701 0.237) 1.111 ======================= Grid point 68 (49/105) ======================= q-point: ( 0.58 -0.08 -0.14) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -3.523 2.280 3.001) 5.159 1.461 ( -5.629 0.458 0.039) 5.648 1.753 ( -6.912 -0.750 4.306) 8.178 1.973 ( 1.006 7.900 -0.991) 8.025 2.291 ( 0.402 1.139 -0.388) 1.268 2.342 ( 0.127 -4.058 -1.186) 4.230 3.210 ( -7.280 0.458 0.229) 7.298 3.484 ( -2.915 1.799 1.726) 3.836 3.582 ( 0.005 1.653 -2.978) 3.406 3.677 ( -1.209 -3.523 6.102) 7.149 3.828 ( -0.021 3.052 -5.818) 6.570 4.292 ( 2.147 7.496 4.758) 9.135 4.444 ( 2.329 -0.446 0.052) 2.372 4.713 ( 0.199 -13.557 -3.246) 13.941 4.841 ( 1.438 4.756 -6.828) 8.444 5.027 ( -6.468 1.124 -1.270) 6.687 5.437 ( 5.594 -2.328 -1.002) 6.142 5.742 ( 8.125 1.326 1.996) 8.471 8.148 ( 1.097 0.519 -1.977) 2.320 8.543 ( 0.478 -1.281 4.850) 5.039 9.140 ( -1.914 2.777 4.325) 5.485 9.783 ( -6.323 2.229 -2.510) 7.159 9.962 ( 5.116 -3.972 -2.379) 6.900 10.467 ( 0.422 9.650 2.096) 9.884 10.656 ( -0.896 -8.162 6.076) 10.215 10.806 ( -0.206 0.119 -1.824) 1.839 10.992 ( 4.265 -0.979 2.813) 5.202 11.099 ( 2.461 -0.435 -4.860) 5.465 26.747 ( -1.301 0.743 -2.200) 2.662 26.900 ( -3.816 0.473 -2.986) 4.868 27.164 ( -2.115 5.892 -0.253) 6.265 27.272 ( 1.601 -0.820 0.898) 2.010 27.601 ( -3.351 -14.146 5.196) 15.438 28.213 ( 7.865 5.223 2.113) 9.675 29.022 ( -1.205 -0.021 -0.151) 1.215 29.099 ( 0.354 -0.513 0.880) 1.078 ======================= Grid point 70 (50/105) ======================= q-point: ( 0.35 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -6.163 3.710 -0.516) 7.212 1.247 ( 0.895 8.655 4.934) 10.003 1.615 ( 4.653 2.831 -2.982) 6.210 2.156 ( 3.361 6.387 -2.337) 7.586 2.248 ( -0.596 -1.877 -1.254) 2.335 2.303 ( -2.308 -3.862 1.610) 4.779 3.060 ( 1.459 1.920 -1.388) 2.782 3.446 ( 1.248 0.995 -1.764) 2.379 3.497 ( 0.185 -0.358 4.631) 4.648 3.746 ( 0.320 -0.292 -0.611) 0.749 3.896 ( -1.868 0.501 -8.272) 8.495 4.300 ( 0.132 12.618 3.001) 12.970 4.429 ( -1.796 0.979 8.239) 8.489 4.699 ( -5.810 -4.094 -3.967) 8.140 4.805 ( -2.238 -4.545 0.624) 5.104 5.019 ( 3.458 -1.845 -9.316) 10.107 5.654 ( 0.644 -7.616 -4.149) 8.697 5.803 ( 2.114 -1.151 12.809) 13.034 8.181 ( -2.814 5.729 -0.405) 6.395 8.460 ( 3.113 0.204 4.036) 5.101 9.139 ( 1.034 7.796 -2.833) 8.359 9.626 ( -2.640 5.338 -2.110) 6.317 10.093 ( -0.650 -7.188 2.553) 7.656 10.375 ( 1.974 13.872 1.693) 14.114 10.711 ( 3.782 -8.616 -0.400) 9.418 10.804 ( -1.737 -1.622 -0.761) 2.496 11.023 ( 1.220 -1.286 3.760) 4.157 11.208 ( -2.045 0.407 -3.315) 3.916 26.644 ( -2.176 3.243 2.166) 4.466 26.937 ( 1.637 6.311 -2.437) 6.960 27.128 ( -6.642 -7.279 2.460) 10.157 27.270 ( 2.232 -2.732 -0.819) 3.622 27.391 ( 1.121 0.783 0.768) 1.568 28.431 ( 2.872 3.579 1.128) 4.725 28.968 ( -0.348 0.078 -0.168) 0.394 29.100 ( 0.814 -0.334 0.423) 0.976 ======================= Grid point 71 (51/105) ======================= q-point: (-0.65 -0.10 0.21) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 6.329 3.013 -0.209) 7.013 1.409 ( 2.841 2.243 -0.722) 3.691 1.751 ( 5.317 1.108 -4.545) 7.082 2.045 ( -5.447 -6.966 -1.326) 8.942 2.202 ( 4.244 -5.504 1.098) 7.036 2.364 ( -0.926 4.365 -0.448) 4.485 3.160 ( 3.805 1.628 -4.159) 5.867 3.469 ( 2.194 -2.231 -1.643) 3.534 3.515 ( 0.855 0.784 5.077) 5.208 3.683 ( -0.659 -5.171 1.812) 5.519 3.873 ( -1.870 1.230 -7.197) 7.537 4.380 ( 1.320 -8.901 1.218) 9.080 4.407 ( -3.150 0.476 3.654) 4.848 4.635 ( 0.715 12.114 4.593) 12.975 4.786 ( -0.369 -0.176 -2.645) 2.676 5.019 ( 0.372 -0.740 -6.789) 6.839 5.492 ( -3.195 -5.167 1.598) 6.282 5.729 ( -1.495 -5.578 11.801) 13.138 8.209 ( -4.687 4.805 -1.664) 6.916 8.554 ( 4.075 1.003 0.769) 4.266 9.276 ( 0.750 3.046 -9.109) 9.634 9.704 ( 1.310 3.500 -3.175) 4.903 9.950 ( -3.166 -1.738 6.744) 7.650 10.534 ( 0.830 -9.676 -2.945) 10.149 10.707 ( 1.742 9.554 0.357) 9.718 10.760 ( -0.524 0.381 0.106) 0.656 11.011 ( -0.142 -0.850 4.036) 4.127 11.156 ( -3.591 0.136 -2.611) 4.442 26.707 ( 0.245 3.628 0.677) 3.699 26.791 ( -1.308 -7.241 2.199) 7.680 27.174 ( -0.896 -0.072 -0.971) 1.323 27.265 ( 1.790 5.953 0.715) 6.257 27.618 ( 4.939 12.786 -3.968) 14.270 28.405 ( -6.009 -2.043 -1.418) 6.503 28.993 ( 1.457 0.556 -0.176) 1.570 29.114 ( 0.343 0.312 -0.181) 0.498 ======================= Grid point 73 (52/105) ======================= q-point: (-0.65 -0.10 0.32) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 7.378 -7.620 -5.103) 11.770 1.467 ( 2.657 -2.211 -2.732) 4.406 1.766 ( -2.838 -6.131 -3.845) 7.774 1.903 ( 3.756 0.544 0.615) 3.845 2.209 ( 5.905 -3.107 0.504) 6.692 2.388 ( -1.356 0.808 2.470) 2.931 3.261 ( 3.837 0.490 -3.055) 4.929 3.483 ( 2.420 -0.753 -0.146) 2.539 3.521 ( -0.871 -2.431 -1.409) 2.942 3.541 ( 2.968 -7.582 4.122) 9.126 3.892 ( 0.011 2.932 -3.636) 4.671 4.227 ( 0.677 -6.962 -0.029) 6.995 4.415 ( -0.763 3.511 3.218) 4.823 4.698 ( -2.578 -4.594 -4.467) 6.907 4.921 ( 4.747 8.453 4.368) 10.633 5.043 ( 1.052 0.875 -7.827) 7.946 5.337 ( -4.402 -1.426 12.764) 13.577 5.582 ( -2.580 -2.915 5.914) 7.080 8.212 ( -3.353 4.252 -1.729) 5.685 8.633 ( 0.514 0.993 -1.352) 1.754 9.284 ( 0.644 -2.832 -14.179) 14.474 9.805 ( 2.201 2.277 -2.820) 4.241 9.931 ( -0.923 3.998 8.989) 9.881 10.332 ( -0.335 -9.095 -3.868) 9.889 10.730 ( -0.704 0.970 4.878) 5.023 10.888 ( -1.828 2.350 -1.813) 3.486 11.029 ( 0.348 4.434 0.597) 4.487 11.068 ( -3.802 -0.634 -0.951) 3.970 26.656 ( 2.573 -3.419 0.566) 4.317 26.889 ( 4.255 4.005 3.496) 6.809 27.110 ( -1.972 -0.633 -2.415) 3.181 27.335 ( -3.071 1.601 -1.659) 3.840 28.004 ( -1.553 9.356 -7.299) 11.968 28.203 ( -4.541 1.778 -0.365) 4.891 29.025 ( 0.821 0.049 -0.326) 0.884 29.119 ( -0.662 0.251 0.318) 0.776 ======================= Grid point 74 (53/105) ======================= q-point: (-0.65 -0.10 0.43) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 9.906 -9.259 -8.848) 16.191 1.415 ( -0.873 -4.174 -3.023) 5.227 1.629 ( 0.310 -4.265 -0.669) 4.328 1.986 ( 3.039 0.168 4.738) 5.631 2.304 ( 4.164 0.780 0.155) 4.239 2.345 ( -1.030 -2.408 2.261) 3.460 3.328 ( 1.173 -6.669 0.211) 6.775 3.364 ( 0.429 -0.300 0.140) 0.541 3.479 ( 0.764 -2.026 0.568) 2.238 3.613 ( 5.138 0.708 -5.553) 7.599 3.974 ( 1.055 1.429 -1.551) 2.358 4.141 ( 3.522 -2.467 3.744) 5.702 4.502 ( -1.245 4.038 -1.905) 4.635 4.560 ( 1.052 -3.304 -6.530) 7.393 5.010 ( 0.704 -5.471 0.861) 5.583 5.156 ( -1.364 4.342 -2.562) 5.223 5.303 ( 4.227 2.490 11.642) 12.634 5.535 ( -2.809 3.772 6.930) 8.375 8.256 ( -0.902 3.866 -1.341) 4.190 8.590 ( -4.554 -0.828 -1.530) 4.875 9.243 ( 0.388 -1.486 -11.851) 11.950 9.882 ( 0.425 2.588 1.136) 2.858 9.987 ( 0.094 -2.444 -2.474) 3.478 10.221 ( 4.387 -1.598 2.241) 5.179 10.775 ( 0.479 2.874 3.860) 4.836 10.806 ( -6.998 0.765 1.269) 7.153 10.967 ( -3.212 -0.994 0.920) 3.486 11.156 ( 1.657 3.402 -2.978) 4.815 26.687 ( 3.740 -1.165 -0.799) 3.998 27.017 ( 5.635 -2.066 4.089) 7.262 27.101 ( -0.888 2.044 -4.152) 4.713 27.258 ( -5.757 1.321 -0.374) 5.919 27.775 ( -12.733 -3.613 -6.999) 14.972 28.390 ( -1.543 9.061 -0.305) 9.196 29.028 ( 0.262 -0.801 -0.794) 1.158 29.096 ( -1.196 -0.306 1.243) 1.752 ======================= Grid point 75 (54/105) ======================= q-point: ( 0.35 -0.10 -0.46) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 2.648 -8.591 -3.935) 9.813 1.327 ( -0.906 -0.194 1.444) 1.716 1.603 ( 0.345 -0.074 -3.029) 3.049 2.069 ( 3.852 1.557 3.114) 5.192 2.275 ( 1.286 -3.337 -0.352) 3.594 2.350 ( -2.544 0.766 -0.445) 2.694 3.144 ( -3.194 -4.334 -2.116) 5.785 3.440 ( 1.535 0.188 0.577) 1.650 3.469 ( 1.718 -0.298 3.238) 3.678 3.701 ( 1.938 0.977 -4.951) 5.406 3.951 ( -0.827 -1.841 -4.316) 4.765 4.289 ( 5.100 3.580 8.069) 10.195 4.477 ( 1.005 -1.429 -4.804) 5.112 4.665 ( 3.741 1.868 -4.832) 6.390 4.858 ( -1.950 -5.706 2.356) 6.474 5.074 ( -4.423 -2.880 -5.979) 7.976 5.496 ( 3.805 3.721 2.245) 5.776 5.648 ( 4.261 5.356 13.573) 15.201 8.300 ( -2.133 1.614 -3.206) 4.175 8.461 ( -4.121 -0.744 2.530) 4.893 9.223 ( -3.001 1.243 -7.020) 7.735 9.813 ( -3.356 -6.054 -6.638) 9.590 9.976 ( 2.339 2.072 5.543) 6.363 10.417 ( 9.158 3.217 0.387) 9.714 10.631 ( -10.820 1.286 2.825) 11.256 10.822 ( -0.063 -0.780 -1.339) 1.551 10.948 ( 0.935 2.453 4.952) 5.605 11.223 ( 0.703 0.571 -3.456) 3.572 26.718 ( 1.269 -1.736 -1.172) 2.449 27.040 ( 2.006 -4.850 -1.512) 5.462 27.115 ( 0.074 0.550 -1.522) 1.620 27.195 ( -1.221 0.961 3.529) 3.856 27.482 ( -10.432 0.605 -3.393) 10.986 28.452 ( -4.852 4.577 -0.075) 6.671 28.998 ( -0.174 -1.906 -0.730) 2.049 29.082 ( -0.366 0.718 1.151) 1.405 ======================= Grid point 79 (55/105) ======================= q-point: ( 0.35 -0.10 -0.12) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -2.275 19.444 4.547) 20.097 0.937 ( -7.591 5.720 12.411) 15.633 1.588 ( -18.588 6.018 3.811) 19.906 1.946 ( 1.554 0.230 -5.910) 6.116 2.293 ( 1.292 -2.621 1.160) 3.144 2.525 ( 1.515 0.448 -2.935) 3.333 3.226 ( -12.680 -0.060 2.514) 12.927 3.301 ( -2.901 10.491 -1.576) 10.998 3.522 ( 2.945 -0.361 -0.298) 2.983 3.569 ( -0.605 -0.697 -3.942) 4.049 3.923 ( 2.372 1.753 5.495) 6.236 3.984 ( -1.047 2.151 -4.714) 5.286 4.323 ( 0.393 3.764 8.834) 9.611 4.751 ( 1.285 4.162 -2.276) 4.915 4.873 ( -3.969 0.771 -11.086) 11.800 5.410 ( 2.998 -2.236 -4.203) 5.626 5.515 ( -1.770 -2.129 6.751) 7.297 5.872 ( 5.992 -7.673 -5.895) 11.381 7.989 ( -0.645 2.697 6.508) 7.075 8.561 ( -2.411 -1.192 1.887) 3.285 8.790 ( -5.612 6.104 4.338) 9.358 9.512 ( -3.987 6.519 4.294) 8.765 10.013 ( -6.694 4.931 0.421) 8.325 10.344 ( 5.713 -4.981 -1.046) 7.652 10.804 ( 0.646 -3.835 0.441) 3.914 10.868 ( 1.893 -1.537 2.851) 3.752 11.081 ( 1.700 -4.686 -1.265) 5.143 11.165 ( 1.856 2.497 -2.490) 3.985 26.704 ( -0.877 -0.359 -2.151) 2.350 26.754 ( -0.747 5.471 6.214) 8.313 27.163 ( -3.261 2.688 -4.420) 6.115 27.298 ( 1.078 -2.817 1.988) 3.612 27.585 ( 8.210 0.935 7.865) 11.408 28.335 ( -0.557 -8.984 0.517) 9.016 29.010 ( -0.922 1.147 -0.330) 1.508 29.115 ( 0.370 -0.842 1.251) 1.553 ======================= Grid point 81 (56/105) ======================= q-point: ( 0.11 -0.11 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 1.569 15.115 -0.000) 15.197 0.691 ( -19.562 14.651 -0.000) 24.441 1.112 ( 14.758 23.892 0.000) 28.083 1.942 ( 0.473 -3.862 0.000) 3.891 2.459 ( 4.073 -4.661 0.000) 6.189 2.509 ( -4.267 -3.324 -0.000) 5.409 2.900 ( 2.860 5.690 0.000) 6.368 3.247 ( -0.998 10.610 -0.000) 10.657 3.553 ( -0.247 -4.771 0.000) 4.777 3.732 ( -0.209 0.912 -0.000) 0.936 3.855 ( -2.113 2.820 -0.000) 3.524 3.940 ( -3.120 3.826 -0.000) 4.937 4.131 ( 0.407 3.640 -0.000) 3.662 4.606 ( -3.178 3.798 -0.000) 4.952 5.045 ( 4.554 12.197 0.000) 13.019 5.344 ( -2.922 -10.667 0.000) 11.060 5.595 ( 2.356 0.580 0.000) 2.427 6.100 ( 0.533 -8.508 0.000) 8.525 7.861 ( -1.094 6.573 -0.000) 6.664 8.421 ( 1.247 -0.711 0.000) 1.435 8.703 ( -0.066 10.630 -0.000) 10.630 9.348 ( -0.593 7.201 -0.000) 7.226 9.829 ( 0.599 8.216 -0.000) 8.238 10.482 ( -0.247 -11.079 0.000) 11.082 10.880 ( -0.259 -1.369 0.000) 1.394 10.955 ( 3.390 1.743 0.000) 3.812 11.024 ( -1.659 -2.489 -0.000) 2.991 11.240 ( -0.883 -0.865 -0.000) 1.236 26.534 ( 0.047 -2.721 0.000) 2.721 26.854 ( -3.550 0.296 -0.000) 3.563 27.130 ( 3.790 6.564 0.000) 7.580 27.214 ( -2.453 1.780 -0.000) 3.031 27.688 ( -3.339 -6.883 -0.000) 7.650 28.422 ( 5.083 -6.530 0.000) 8.275 28.965 ( -0.211 0.610 -0.000) 0.645 29.106 ( 0.314 -0.212 0.000) 0.379 ======================= Grid point 82 (57/105) ======================= q-point: ( 0.11 -0.11 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -3.338 16.111 -0.000) 16.454 0.957 ( 4.098 15.020 -0.000) 15.569 1.729 ( 9.561 7.959 0.000) 12.440 1.988 ( 1.605 7.915 -0.000) 8.076 2.294 ( -6.360 -5.003 -0.000) 8.092 2.441 ( 3.446 -5.500 0.000) 6.491 3.132 ( 8.784 2.829 0.000) 9.228 3.457 ( -0.849 -2.833 0.000) 2.958 3.492 ( 4.261 8.924 0.000) 9.889 3.728 ( -1.524 0.463 -0.000) 1.593 3.855 ( -5.655 7.073 -0.000) 9.056 4.025 ( 2.077 3.915 0.000) 4.432 4.197 ( -0.841 2.640 -0.000) 2.770 4.684 ( 2.731 2.755 0.000) 3.879 5.012 ( -2.046 -15.708 0.000) 15.841 5.279 ( 0.941 3.610 -0.000) 3.731 5.601 ( -2.169 -1.024 -0.000) 2.398 5.892 ( -2.488 -8.965 0.000) 9.304 7.968 ( -1.750 6.078 -0.000) 6.325 8.498 ( 5.244 0.476 0.000) 5.266 8.931 ( -1.214 12.628 -0.000) 12.686 9.498 ( 1.295 6.476 -0.000) 6.604 10.128 ( 5.243 13.893 0.000) 14.850 10.233 ( -2.126 -10.484 0.000) 10.698 10.819 ( -1.680 -2.508 -0.000) 3.019 10.877 ( -4.362 -3.772 -0.000) 5.767 11.057 ( 4.605 -2.020 0.000) 5.029 11.174 ( -4.065 -0.356 -0.000) 4.080 26.545 ( 2.454 0.172 0.000) 2.460 26.850 ( 0.032 6.570 -0.000) 6.570 27.140 ( -1.571 -5.320 0.000) 5.547 27.340 ( 2.790 5.945 0.000) 6.567 27.404 ( -4.045 -8.575 -0.000) 9.481 28.413 ( -1.165 -0.916 -0.000) 1.482 28.987 ( 1.713 -0.113 0.000) 1.717 29.111 ( 0.142 0.121 0.000) 0.186 ======================= Grid point 83 (58/105) ======================= q-point: ( 0.11 -0.11 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 11.361 13.259 0.000) 17.461 1.309 ( 3.177 11.303 -0.000) 11.741 1.884 ( 3.924 -1.966 0.000) 4.389 2.078 ( -4.008 -5.116 -0.000) 6.499 2.213 ( -1.370 8.301 -0.000) 8.413 2.387 ( 2.093 -4.728 0.000) 5.170 3.352 ( 8.695 0.469 0.000) 8.707 3.409 ( -0.125 -0.823 0.000) 0.832 3.665 ( 6.702 -3.013 0.000) 7.348 3.695 ( -1.479 -0.603 -0.000) 1.597 3.900 ( -3.698 3.256 -0.000) 4.927 4.217 ( -1.578 2.397 -0.000) 2.870 4.236 ( 0.213 16.514 -0.000) 16.516 4.655 ( 0.176 -15.954 0.000) 15.955 4.814 ( 4.072 2.947 0.000) 5.027 5.251 ( -2.071 -3.788 -0.000) 4.317 5.416 ( -7.080 -7.204 -0.000) 10.101 5.676 ( -4.726 -4.334 -0.000) 6.412 8.041 ( -0.797 3.988 -0.000) 4.067 8.597 ( 1.677 0.943 0.000) 1.924 9.182 ( 0.518 12.549 -0.000) 12.560 9.683 ( 4.695 5.666 0.000) 7.359 9.956 ( -4.531 -9.826 -0.000) 10.821 10.535 ( 5.034 12.449 0.000) 13.429 10.685 ( -5.171 -5.065 -0.000) 7.238 10.732 ( -0.848 -1.484 -0.000) 1.709 11.054 ( 0.542 -4.612 0.000) 4.644 11.074 ( -4.800 0.652 -0.000) 4.844 26.621 ( 2.755 2.690 0.000) 3.851 26.972 ( 2.879 -9.865 0.000) 10.277 27.144 ( 6.799 11.257 0.000) 13.151 27.222 ( -2.047 -4.320 -0.000) 4.781 27.499 ( -0.017 8.286 -0.000) 8.286 28.302 ( -7.696 -1.094 -0.000) 7.773 29.020 ( 1.493 -0.062 0.000) 1.494 29.112 ( -0.614 0.340 -0.000) 0.702 ======================= Grid point 84 (59/105) ======================= q-point: ( 0.11 -0.11 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 3.307 5.628 0.000) 6.527 1.564 ( 6.113 1.049 0.000) 6.202 1.897 ( 3.980 -1.490 0.000) 4.249 1.918 ( 0.118 -6.731 0.000) 6.732 2.260 ( -3.703 3.684 -0.000) 5.223 2.333 ( -0.986 -2.141 -0.000) 2.357 3.426 ( 2.357 0.304 0.000) 2.377 3.444 ( 3.259 -3.583 0.000) 4.843 3.648 ( 0.722 -2.781 0.000) 2.873 3.751 ( 6.345 -4.510 0.000) 7.784 3.874 ( -0.673 4.480 -0.000) 4.531 4.257 ( -1.616 4.844 -0.000) 5.107 4.361 ( -0.403 -13.004 0.000) 13.010 4.636 ( 1.833 17.646 -0.000) 17.741 4.967 ( 4.306 3.171 0.000) 5.347 5.111 ( -0.826 -4.643 0.000) 4.716 5.116 ( -5.848 -6.630 -0.000) 8.841 5.486 ( -7.320 -2.208 -0.000) 7.646 8.121 ( 2.254 2.603 0.000) 3.443 8.582 ( -5.385 1.355 -0.000) 5.553 9.465 ( 3.379 10.643 -0.000) 11.167 9.646 ( -6.610 -8.613 -0.000) 10.857 9.926 ( 8.183 4.801 0.000) 9.487 10.455 ( -7.311 -4.987 -0.000) 8.850 10.650 ( 1.715 -0.805 0.000) 1.895 10.918 ( 3.762 9.684 0.000) 10.389 10.922 ( -2.604 -5.404 -0.000) 5.999 10.977 ( -5.390 -0.217 -0.000) 5.394 26.773 ( 3.380 5.375 0.000) 6.350 26.897 ( 6.510 -7.019 0.000) 9.573 27.104 ( -2.164 -3.117 -0.000) 3.795 27.377 ( 3.976 -0.177 0.000) 3.980 27.785 ( 0.455 17.260 -0.000) 17.266 28.048 ( -11.635 -4.229 -0.000) 12.380 29.041 ( 0.627 -0.102 0.000) 0.635 29.098 ( -1.169 0.154 -0.000) 1.179 ======================= Grid point 85 (60/105) ======================= q-point: ( 0.11 -0.11 -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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -6.855 -5.827 -0.000) 8.997 1.653 ( 0.987 -1.774 0.000) 2.030 1.790 ( 2.647 -8.782 0.000) 9.173 2.006 ( 7.583 -2.068 0.000) 7.860 2.257 ( -5.289 2.057 -0.000) 5.675 2.292 ( -0.288 3.429 -0.000) 3.441 3.415 ( 1.255 -2.500 0.000) 2.797 3.491 ( 4.702 -3.411 0.000) 5.809 3.587 ( 1.009 -5.859 0.000) 5.946 3.733 ( -1.421 1.225 -0.000) 1.876 4.039 ( 5.631 1.699 0.000) 5.882 4.077 ( -4.703 -6.099 -0.000) 7.702 4.383 ( -1.680 8.862 -0.000) 9.019 4.924 ( -2.409 -4.356 -0.000) 4.978 4.935 ( 5.910 0.317 0.000) 5.918 5.072 ( 2.819 5.614 0.000) 6.282 5.207 ( 4.575 8.711 0.000) 9.839 5.300 ( -6.352 -1.785 -0.000) 6.598 8.238 ( 4.820 1.168 0.000) 4.959 8.452 ( -9.329 1.471 -0.000) 9.444 9.353 ( -7.617 -4.978 -0.000) 9.100 9.746 ( 5.670 7.233 0.000) 9.191 10.173 ( -9.589 -5.305 -0.000) 10.959 10.209 ( 9.969 4.287 0.000) 10.852 10.708 ( -5.889 -6.867 -0.000) 9.047 10.724 ( 4.329 1.831 0.000) 4.701 10.876 ( -4.562 0.941 -0.000) 4.658 11.140 ( 2.161 5.757 0.000) 6.149 26.909 ( 2.911 -2.915 0.000) 4.119 26.957 ( 3.230 5.456 0.000) 6.340 27.013 ( 0.216 -3.302 0.000) 3.309 27.409 ( 5.256 -4.125 0.000) 6.682 27.658 ( -14.712 -6.175 -0.000) 15.955 28.069 ( -4.099 12.398 -0.000) 13.058 29.046 ( 0.398 -0.179 0.000) 0.436 29.074 ( -0.912 -0.322 -0.000) 0.967 ======================= Grid point 86 (61/105) ======================= q-point: ( 0.11 -0.11 -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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -10.124 -3.953 -0.000) 10.868 1.488 ( -9.281 -4.060 -0.000) 10.130 1.631 ( -0.493 -9.768 0.000) 9.781 2.114 ( 3.727 1.623 0.000) 4.065 2.202 ( -6.001 1.799 -0.000) 6.265 2.384 ( 5.467 0.321 0.000) 5.477 3.306 ( -1.895 -12.383 0.000) 12.527 3.416 ( 1.705 -0.296 0.000) 1.731 3.542 ( 1.025 -4.251 0.000) 4.372 3.746 ( -2.055 2.705 -0.000) 3.398 3.951 ( -5.373 3.198 -0.000) 6.253 4.134 ( 1.416 1.200 0.000) 1.856 4.449 ( -6.830 1.662 -0.000) 7.029 4.888 ( 1.572 4.389 0.000) 4.662 5.040 ( 12.699 -6.446 0.000) 14.241 5.128 ( -3.929 -5.941 -0.000) 7.122 5.295 ( 1.607 9.338 -0.000) 9.476 5.528 ( 7.991 8.400 0.000) 11.594 8.272 ( -10.096 0.568 -0.000) 10.112 8.341 ( 4.667 -1.064 0.000) 4.787 9.130 ( -8.998 -0.539 -0.000) 9.015 9.855 ( -10.343 -4.946 -0.000) 11.464 9.999 ( 8.073 3.781 0.000) 8.914 10.405 ( -10.274 -5.960 -0.000) 11.878 10.505 ( 9.386 4.718 0.000) 10.505 10.836 ( -1.301 0.984 -0.000) 1.631 10.877 ( 4.785 3.014 0.000) 5.655 11.247 ( 0.326 2.240 -0.000) 2.264 26.835 ( -3.920 -4.403 -0.000) 5.895 26.959 ( -0.591 -2.722 0.000) 2.785 27.127 ( 3.816 3.908 0.000) 5.463 27.288 ( -9.686 -1.687 -0.000) 9.832 27.465 ( 9.069 -4.492 0.000) 10.120 28.147 ( -6.434 7.450 -0.000) 9.844 29.042 ( -0.481 -1.502 0.000) 1.577 29.057 ( 0.732 0.219 0.000) 0.764 ======================= Grid point 87 (62/105) ======================= q-point: ( 0.11 -0.11 -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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -13.209 -1.551 -0.000) 13.300 1.207 ( -11.320 -2.462 -0.000) 11.585 1.339 ( -12.693 -4.255 -0.000) 13.387 2.035 ( -6.018 -4.200 -0.000) 7.339 2.259 ( 4.618 4.448 0.000) 6.412 2.491 ( 5.404 -2.029 0.000) 5.773 3.042 ( -4.215 -6.027 -0.000) 7.355 3.420 ( -5.031 -2.253 -0.000) 5.512 3.467 ( 2.964 0.466 0.000) 3.001 3.748 ( -1.470 1.087 -0.000) 1.828 3.930 ( -5.308 3.797 -0.000) 6.527 4.166 ( -1.487 1.686 -0.000) 2.247 4.208 ( -7.644 -7.506 -0.000) 10.713 4.863 ( -4.275 -10.730 -0.000) 11.550 5.058 ( -2.583 8.654 -0.000) 9.031 5.185 ( 13.113 -5.634 0.000) 14.272 5.493 ( 0.674 7.049 -0.000) 7.081 5.851 ( 9.985 4.382 0.000) 10.904 8.061 ( -9.397 -1.251 -0.000) 9.480 8.390 ( 2.758 -1.205 0.000) 3.010 8.929 ( -11.308 0.834 -0.000) 11.339 9.564 ( -9.217 -3.394 -0.000) 9.823 10.069 ( -11.623 -3.489 -0.000) 12.136 10.243 ( 10.272 1.594 0.000) 10.395 10.777 ( 5.984 5.859 0.000) 8.375 10.852 ( 0.899 0.510 0.000) 1.034 11.008 ( 3.610 0.330 0.000) 3.625 11.257 ( -1.011 -0.058 -0.000) 1.013 26.605 ( -3.884 -5.735 -0.000) 6.927 26.907 ( -2.324 0.539 -0.000) 2.386 27.179 ( -3.880 1.530 -0.000) 4.171 27.249 ( 2.992 -0.403 0.000) 3.019 27.578 ( 7.681 -1.863 0.000) 7.904 28.208 ( 0.527 6.329 -0.000) 6.351 28.997 ( -0.209 -1.875 0.000) 1.886 29.084 ( 0.789 0.639 0.000) 1.016 ======================= Grid point 90 (63/105) ======================= q-point: (-0.12 -0.12 0.12) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( -0.000 0.000 -14.785) 14.785 0.329 ( -0.000 0.000 -14.785) 14.785 0.628 ( -0.000 0.000 -28.129) 28.129 2.197 ( -0.000 0.000 -0.180) 0.180 2.338 ( 0.000 -0.000 14.371) 14.371 2.338 ( 0.000 -0.000 14.371) 14.371 2.911 ( -0.000 0.000 -8.964) 8.964 2.911 ( -0.000 0.000 -8.964) 8.964 3.640 ( 0.000 -0.000 4.603) 4.603 3.640 ( 0.000 -0.000 4.603) 4.603 3.896 ( -0.000 0.000 -4.126) 4.126 3.896 ( -0.000 0.000 -4.126) 4.126 4.147 ( -0.000 0.000 -6.845) 6.845 4.503 ( -0.000 0.000 -1.751) 1.751 4.603 ( 0.000 -0.000 0.835) 0.835 5.502 ( 0.000 -0.000 6.100) 6.100 5.502 ( 0.000 -0.000 6.100) 6.100 6.155 ( 0.000 -0.000 11.372) 11.372 8.042 ( -0.000 0.000 -16.091) 16.091 8.465 ( -0.000 0.000 -2.126) 2.126 8.465 ( -0.000 0.000 -2.126) 2.126 9.273 ( -0.000 0.000 -8.431) 8.431 9.744 ( -0.000 0.000 -6.019) 6.019 10.726 ( 0.000 -0.000 9.849) 9.849 10.907 ( -0.000 0.000 -1.464) 1.464 10.907 ( -0.000 0.000 -1.464) 1.464 11.001 ( -0.000 0.000 -3.252) 3.252 11.283 ( 0.000 -0.000 2.970) 2.970 26.771 ( 0.000 -0.000 6.099) 6.099 26.771 ( 0.000 -0.000 6.099) 6.099 26.946 ( -0.000 0.000 -14.824) 14.824 27.207 ( -0.000 0.000 -6.173) 6.173 27.207 ( -0.000 0.000 -6.173) 6.173 27.880 ( -0.000 0.000 -4.547) 4.547 28.932 ( -0.000 0.000 -0.880) 0.880 29.146 ( -0.000 0.000 -2.957) 2.957 ======================= Grid point 93 (64/105) ======================= q-point: (-0.12 -0.12 0.46) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 7.490 8.011 -2.454) 11.239 1.292 ( 14.887 8.811 -4.520) 17.880 1.921 ( 2.822 0.776 5.257) 6.017 1.970 ( -1.697 9.181 -0.849) 9.375 2.202 ( -0.885 -4.158 -4.309) 6.054 2.444 ( -3.229 -2.634 1.200) 4.336 3.425 ( -0.697 4.801 0.264) 4.858 3.459 ( 4.147 -2.251 4.153) 6.286 3.583 ( 3.195 5.232 2.738) 6.714 3.714 ( 2.587 10.086 -0.984) 10.459 3.873 ( 2.093 -5.441 -1.166) 5.945 4.042 ( 2.311 3.148 0.851) 3.997 4.315 ( 0.540 -4.211 -5.515) 6.960 4.810 ( 2.884 -0.657 4.040) 5.007 4.889 ( 1.017 -3.575 4.652) 5.954 5.248 ( -1.551 -8.788 1.083) 8.989 5.446 ( -9.826 3.140 -3.882) 11.022 5.567 ( -7.640 -5.937 -0.322) 9.681 8.078 ( 5.154 0.247 -1.385) 5.343 8.531 ( -5.179 0.828 -1.084) 5.356 9.049 ( 6.143 7.199 -1.814) 9.636 9.768 ( 9.567 4.530 -3.654) 11.198 9.979 ( -6.226 -7.056 3.666) 10.099 10.414 ( 5.307 8.622 1.009) 10.175 10.658 ( -6.728 -2.456 -3.953) 8.180 10.797 ( -0.431 -2.034 -2.015) 2.895 10.947 ( -4.714 -1.182 0.092) 4.860 11.137 ( 0.280 -4.080 3.493) 5.378 26.715 ( 4.342 -1.600 0.319) 4.638 27.043 ( 5.957 8.659 0.116) 10.510 27.164 ( -2.242 -1.091 -1.440) 2.880 27.261 ( -0.378 3.881 3.574) 5.289 27.480 ( 4.375 -8.128 -6.476) 11.276 28.148 ( -9.210 -0.209 -1.189) 9.289 29.040 ( 0.595 0.370 0.349) 0.783 29.090 ( -1.007 -0.118 -0.581) 1.168 ======================= Grid point 94 (65/105) ======================= q-point: (-0.12 -0.12 0.57) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 4.809 7.761 0.784) 9.164 1.619 ( 1.644 -0.321 0.372) 1.715 2.001 ( 6.847 0.176 2.150) 7.178 2.062 ( -4.185 5.023 0.198) 6.541 2.129 ( 3.153 -2.064 -2.601) 4.579 2.294 ( -6.086 -2.972 0.160) 6.775 3.472 ( 3.943 -1.452 1.094) 4.342 3.497 ( -1.976 2.629 2.843) 4.348 3.697 ( -2.152 2.898 0.687) 3.674 3.737 ( -0.599 -3.522 -2.764) 4.517 3.987 ( 8.395 3.451 1.820) 9.258 4.201 ( -3.166 -4.122 -2.292) 5.680 4.328 ( 3.420 15.061 -3.353) 15.805 4.683 ( 0.257 -13.836 1.240) 13.894 4.888 ( 0.164 1.851 5.785) 6.076 5.013 ( -3.154 -7.277 4.162) 8.957 5.320 ( -4.812 3.137 -1.799) 6.020 5.378 ( -2.831 -3.155 -7.572) 8.677 8.216 ( 7.416 0.485 0.461) 7.446 8.391 ( -7.823 -0.622 0.105) 7.849 9.345 ( 6.385 8.877 0.494) 10.946 9.670 ( -6.806 -9.045 2.062) 11.506 10.075 ( 10.639 4.499 -3.009) 11.936 10.375 ( -9.644 -3.802 -1.840) 10.529 10.741 ( 4.289 6.058 0.727) 7.458 10.785 ( 1.450 0.424 -1.218) 1.940 10.850 ( -3.306 1.253 -1.195) 3.732 11.004 ( -2.092 -6.888 3.575) 8.037 26.818 ( 5.368 1.314 -0.285) 5.534 26.968 ( -4.542 -2.975 -0.201) 5.434 27.313 ( -2.031 4.271 2.075) 5.165 27.354 ( 2.446 -3.015 -0.185) 3.887 27.568 ( 10.093 8.011 -2.094) 13.055 27.918 ( -8.460 -5.390 -0.038) 10.031 29.055 ( 0.468 0.104 0.179) 0.512 29.069 ( -0.795 -0.081 -0.121) 0.808 ======================= Grid point 99 (66/105) ======================= q-point: (-0.36 -0.14 0.14) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 14.785 -9.082 -7.199) 18.786 1.097 ( -5.854 -6.406 -6.491) 10.837 1.316 ( -5.893 -11.234 -15.170) 19.775 1.857 ( 0.558 0.165 3.325) 3.376 2.138 ( -3.472 -3.341 10.011) 11.111 2.390 ( 2.533 -2.888 3.659) 5.306 3.117 ( -0.565 0.095 -6.180) 6.207 3.264 ( -1.246 -5.770 -0.476) 5.922 3.500 ( 1.705 -0.181 2.816) 3.297 3.579 ( 0.679 -1.596 3.405) 3.821 3.903 ( -1.793 2.135 -2.941) 4.052 4.024 ( 2.335 -3.479 -4.412) 6.085 4.469 ( 0.329 -3.747 -3.174) 4.921 4.646 ( 3.195 -0.738 -0.007) 3.280 4.679 ( -1.423 -4.690 -0.619) 4.940 5.193 ( -3.574 5.856 6.565) 9.496 5.581 ( 2.464 -9.661 7.607) 12.541 5.795 ( -1.225 3.644 11.057) 11.706 8.269 ( -0.423 2.871 -13.689) 13.993 8.528 ( 0.355 0.046 -1.716) 1.753 8.850 ( -0.171 -8.672 -9.772) 13.066 9.554 ( 0.128 -1.719 -9.913) 10.061 10.012 ( 0.069 -6.543 -6.302) 9.085 10.338 ( 0.254 5.746 9.873) 11.427 10.831 ( -0.955 2.637 -0.951) 2.961 11.016 ( -2.241 1.213 0.724) 2.649 11.038 ( 3.064 0.594 -0.186) 3.126 11.148 ( -0.169 0.398 1.920) 1.969 26.686 ( -3.715 -1.642 2.016) 4.535 26.757 ( 3.398 1.304 0.100) 3.641 27.122 ( -0.196 0.535 -6.215) 6.241 27.486 ( -2.147 1.733 -7.928) 8.395 27.859 ( 9.380 7.138 -4.166) 12.501 28.306 ( -7.302 -7.305 0.629) 10.348 28.966 ( 0.397 -0.580 -0.486) 0.855 29.159 ( 0.177 1.590 -0.499) 1.676 ======================= Grid point 100 (67/105) ======================= q-point: (-0.36 -0.14 0.25) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -3.635 -7.331 -11.485) 14.102 1.069 ( 13.549 -8.833 -7.423) 17.796 1.231 ( 6.264 -3.660 -20.848) 22.074 1.888 ( -3.267 2.664 7.855) 8.914 2.126 ( 5.796 -2.509 11.857) 13.434 2.334 ( 2.555 -5.407 5.205) 7.929 3.130 ( 2.746 -2.073 -5.256) 6.282 3.175 ( 3.017 -2.487 -3.274) 5.100 3.506 ( -2.434 0.369 3.448) 4.237 3.553 ( 0.399 0.260 3.545) 3.577 3.946 ( 0.433 1.951 -3.584) 4.104 3.987 ( -0.878 -2.189 -2.532) 3.460 4.407 ( 2.507 -3.084 -5.974) 7.175 4.604 ( 1.229 -1.373 1.697) 2.505 4.666 ( 2.544 -3.023 -4.027) 5.642 5.314 ( 2.810 5.253 8.279) 10.199 5.407 ( -0.705 -6.613 7.898) 10.326 5.834 ( -0.285 1.017 13.211) 13.254 8.298 ( -3.541 3.942 -14.940) 15.852 8.556 ( 1.050 -1.785 -2.448) 3.207 8.728 ( 5.241 -4.738 -11.481) 13.481 9.539 ( 1.572 -1.672 -11.394) 11.623 9.943 ( 2.160 -2.174 -6.580) 7.259 10.400 ( -3.126 2.934 12.027) 12.768 10.883 ( -1.304 2.670 -0.997) 3.134 10.959 ( -0.162 -0.714 -2.339) 2.451 11.094 ( 0.993 -1.432 0.143) 1.749 11.144 ( -2.010 2.170 3.679) 4.721 26.658 ( 1.285 1.017 3.438) 3.808 26.807 ( 1.111 -3.409 2.490) 4.365 27.128 ( -2.547 3.920 -9.880) 10.930 27.430 ( 1.189 -0.005 -7.543) 7.636 27.905 ( -6.389 -3.161 -7.008) 9.996 28.228 ( 15.115 -7.617 4.519) 17.519 28.961 ( 0.625 -0.925 -0.614) 1.274 29.178 ( -1.036 0.868 -0.802) 1.572 ======================= Grid point 104 (68/105) ======================= q-point: ( 0.64 -0.14 -0.31) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -2.540 4.407 1.963) 5.452 1.537 ( -5.592 7.894 2.337) 9.953 1.833 ( -2.188 5.446 -1.946) 6.184 2.096 ( -0.452 -0.847 -1.434) 1.726 2.187 ( 2.163 -2.564 2.104) 3.960 2.361 ( 2.451 -2.368 -1.293) 3.645 3.360 ( 1.212 3.974 0.632) 4.202 3.532 ( -3.838 -1.576 0.167) 4.153 3.620 ( 2.406 3.520 -5.260) 6.771 3.665 ( -4.057 7.751 -0.688) 8.775 3.897 ( 0.488 1.426 4.651) 4.889 4.292 ( -5.180 -4.175 1.450) 6.810 4.388 ( -1.553 0.077 -0.503) 1.634 4.565 ( 1.249 4.443 0.146) 4.617 4.882 ( 3.569 -4.194 3.054) 6.297 5.115 ( 2.919 -2.079 3.304) 4.874 5.347 ( 3.068 -4.638 -6.380) 8.463 5.560 ( -0.988 -6.249 -2.518) 6.809 8.157 ( -0.836 1.527 4.090) 4.445 8.493 ( 2.071 -4.188 -2.762) 5.427 9.218 ( -3.170 5.613 1.125) 6.544 9.792 ( 3.048 -7.915 -1.007) 8.541 9.971 ( -2.139 8.855 6.346) 11.102 10.449 ( -3.746 -2.423 -6.489) 7.875 10.676 ( 3.269 2.350 1.237) 4.211 10.820 ( -0.269 -0.581 -0.437) 0.776 10.926 ( 1.996 -2.209 -1.445) 3.310 11.012 ( 0.424 -4.603 2.250) 5.141 26.754 ( -2.420 3.283 2.710) 4.896 27.017 ( 4.136 -0.037 -0.515) 4.168 27.189 ( -4.038 -0.241 -4.697) 6.199 27.403 ( -8.615 1.485 -0.340) 8.749 27.445 ( 7.827 7.888 6.674) 12.963 28.119 ( 3.749 -10.632 -0.641) 11.292 29.041 ( -0.115 0.663 0.009) 0.673 29.086 ( 0.370 -0.706 -0.270) 0.842 ======================= Grid point 105 (69/105) ======================= q-point: ( 0.64 -0.14 -0.19) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -4.279 2.487 4.361) 6.597 1.573 ( -4.480 3.058 0.301) 5.433 1.887 ( -5.569 -0.206 -1.295) 5.721 1.983 ( -1.864 4.552 0.077) 4.919 2.241 ( 3.446 -2.406 1.171) 4.363 2.336 ( 1.268 -1.693 -0.857) 2.282 3.348 ( -5.121 -0.124 -2.004) 5.501 3.520 ( -0.053 3.433 2.995) 4.556 3.606 ( -2.917 0.099 -1.916) 3.491 3.763 ( -3.722 -4.700 1.605) 6.207 3.835 ( -3.714 5.683 -3.028) 7.434 4.251 ( 1.806 5.031 3.101) 6.179 4.399 ( 1.320 0.656 5.206) 5.410 4.730 ( -1.484 -12.028 -4.677) 12.991 4.768 ( 5.198 5.897 -5.540) 9.617 5.118 ( 0.137 -2.111 -3.943) 4.474 5.316 ( 3.888 -1.315 2.466) 4.788 5.578 ( 7.043 -0.330 1.257) 7.162 8.154 ( -1.759 1.041 -1.880) 2.777 8.494 ( 4.260 -2.161 3.592) 5.976 9.218 ( -5.620 3.177 3.807) 7.495 9.785 ( 6.861 -2.466 -3.252) 7.983 9.983 ( -7.531 1.221 -0.606) 7.653 10.441 ( 2.222 3.950 -0.271) 4.540 10.688 ( -2.158 -3.744 5.885) 7.301 10.812 ( -0.413 1.000 -0.756) 1.319 10.913 ( 3.010 -1.451 2.090) 3.942 11.025 ( 4.634 -1.163 -4.468) 6.541 26.778 ( -1.914 1.567 -1.176) 2.739 26.976 ( -2.349 -2.065 -1.922) 3.671 27.209 ( -0.344 5.866 -4.076) 7.151 27.285 ( -5.266 1.039 3.487) 6.400 27.628 ( 0.655 -7.532 5.025) 9.078 28.053 ( 7.443 0.506 0.700) 7.493 29.041 ( -0.665 0.129 -0.134) 0.691 29.087 ( 0.759 -0.421 0.497) 1.001 ======================= Grid point 108 (70/105) ======================= q-point: (-0.60 -0.15 0.15) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -2.428 0.213 -1.747) 2.999 1.353 ( 2.342 1.226 0.672) 2.728 1.647 ( 4.096 0.559 -4.797) 6.332 2.114 ( 2.441 -5.801 1.333) 6.433 2.176 ( -5.144 -3.972 -0.290) 6.505 2.367 ( 0.526 3.834 -0.719) 3.936 3.110 ( 0.732 3.013 -2.880) 4.232 3.440 ( 0.505 -1.124 -2.005) 2.353 3.490 ( 1.525 -1.059 6.222) 6.493 3.703 ( -0.797 -3.602 -1.650) 4.041 3.911 ( -1.861 0.881 -6.535) 6.851 4.348 ( 1.955 -7.910 5.266) 9.701 4.452 ( -1.072 -0.850 -1.602) 2.107 4.651 ( -2.381 5.779 5.211) 8.138 4.799 ( -0.685 -0.218 -4.590) 4.646 5.023 ( -1.290 2.242 -6.987) 7.451 5.531 ( -0.288 -3.842 0.610) 3.900 5.724 ( 1.980 -6.237 14.744) 16.131 8.294 ( -2.713 5.051 -4.018) 7.001 8.475 ( 2.721 1.295 3.376) 4.525 9.253 ( 1.429 2.945 -8.468) 9.079 9.720 ( -2.774 3.503 -5.222) 6.873 9.990 ( -0.660 -2.295 7.015) 7.410 10.487 ( 3.292 -9.075 -2.293) 9.922 10.667 ( 1.976 10.400 1.798) 10.738 10.790 ( -1.932 0.137 -0.746) 2.076 10.994 ( 1.688 -1.171 4.780) 5.203 11.211 ( -1.677 -0.265 -3.113) 3.546 26.701 ( -0.041 2.165 0.019) 2.166 26.884 ( -7.002 -9.113 0.464) 11.502 27.193 ( -0.506 6.307 0.394) 6.340 27.203 ( 4.095 4.155 -0.326) 5.843 27.525 ( 3.538 9.262 -3.361) 10.469 28.486 ( -1.410 1.245 -0.827) 2.055 28.974 ( -0.034 0.527 -0.454) 0.696 29.100 ( 0.915 0.337 0.485) 1.089 ======================= Grid point 110 (71/105) ======================= q-point: (-0.60 -0.15 0.26) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 4.932 -3.521 -0.808) 6.113 1.392 ( 4.457 -3.169 -2.579) 6.046 1.759 ( 5.499 -0.939 -7.660) 9.476 1.903 ( -5.765 -6.371 -3.296) 9.202 2.089 ( 4.956 -5.262 2.999) 7.826 2.399 ( 0.323 -1.154 2.657) 2.915 3.200 ( 1.995 2.035 -4.212) 5.086 3.421 ( 2.396 -3.438 -3.556) 5.496 3.493 ( 2.140 -2.878 7.301) 8.135 3.567 ( -2.710 -3.980 0.627) 4.856 3.905 ( -1.028 1.778 -4.491) 4.938 4.204 ( 1.360 -7.133 0.668) 7.293 4.434 ( -0.898 1.860 2.495) 3.239 4.741 ( -1.063 -3.586 -2.785) 4.663 4.821 ( 3.768 5.116 3.451) 7.231 5.039 ( -0.499 1.464 -9.203) 9.332 5.438 ( -5.019 -0.769 11.100) 12.207 5.595 ( 1.145 -6.134 9.793) 11.612 8.306 ( -5.203 4.569 -3.597) 7.802 8.580 ( 4.003 1.392 -0.026) 4.238 9.274 ( 0.527 -2.674 -15.191) 15.433 9.758 ( 1.228 2.077 -6.445) 6.882 9.974 ( -1.991 3.041 12.295) 12.821 10.324 ( 1.214 -9.985 -4.047) 10.842 10.758 ( -1.998 1.381 2.689) 3.624 10.890 ( 1.011 5.705 -1.966) 6.119 11.020 ( 0.902 2.020 3.949) 4.526 11.145 ( -3.265 -1.222 -2.209) 4.127 26.643 ( -1.540 -4.179 1.424) 4.676 26.803 ( 3.864 2.347 1.292) 4.702 27.157 ( -2.408 0.019 -1.905) 3.070 27.413 ( -3.963 7.065 -2.767) 8.560 27.917 ( 8.074 14.613 -3.681) 17.097 28.341 ( -7.259 -4.024 -3.490) 9.003 29.003 ( 1.160 0.331 -0.595) 1.345 29.124 ( 0.173 0.592 0.701) 0.933 ======================= Grid point 111 (72/105) ======================= q-point: (-0.60 -0.15 0.38) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 5.768 -10.038 -9.631) 15.060 1.397 ( 2.516 -4.687 -0.779) 5.376 1.660 ( -3.058 -3.665 -4.334) 6.447 1.902 ( 5.602 -1.073 -0.813) 5.762 2.153 ( 8.805 -2.714 2.921) 9.666 2.354 ( 0.758 -3.690 4.676) 6.005 3.265 ( 2.841 -0.578 -1.395) 3.217 3.374 ( 1.324 -5.453 -0.800) 5.668 3.475 ( -0.396 -2.037 1.211) 2.402 3.510 ( 3.207 1.080 -1.749) 3.809 3.952 ( 0.667 2.889 -1.437) 3.295 4.099 ( 0.985 -5.119 -0.286) 5.221 4.491 ( 1.106 3.349 -0.148) 3.530 4.602 ( -3.440 -4.231 -3.038) 6.242 4.957 ( 4.328 -3.096 -2.752) 5.991 5.126 ( 3.335 6.598 0.455) 7.407 5.285 ( -2.452 -4.515 11.569) 12.659 5.578 ( -0.579 1.733 7.997) 8.203 8.304 ( -3.644 4.554 -2.532) 6.358 8.640 ( -0.202 -0.569 -1.502) 1.619 9.221 ( 1.309 -2.598 -17.002) 17.249 9.845 ( 2.965 0.915 -7.649) 8.255 10.000 ( -1.729 2.478 11.792) 12.173 10.168 ( 1.412 -6.036 -2.363) 6.635 10.775 ( -0.863 3.207 3.442) 4.783 10.925 ( -3.816 1.806 1.637) 4.528 11.034 ( -3.416 -2.163 -0.737) 4.110 11.120 ( 1.783 3.257 -1.387) 3.964 26.625 ( 2.194 0.381 0.608) 2.309 26.897 ( 4.990 -3.525 3.291) 6.939 27.144 ( -1.948 4.222 -4.769) 6.660 27.391 ( -7.028 3.825 -1.986) 8.245 28.011 ( -9.945 -3.831 -8.516) 13.642 28.365 ( 4.066 8.252 -0.481) 9.212 29.019 ( 0.700 -0.804 -0.998) 1.460 29.121 ( -1.101 -0.014 1.681) 2.010 ======================= Grid point 112 (73/105) ======================= q-point: (-0.60 -0.15 0.49) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 7.917 -3.124 -7.656) 11.448 1.316 ( 1.794 -4.178 0.999) 4.655 1.593 ( -0.251 0.689 -4.684) 4.741 1.980 ( 4.500 -0.314 3.116) 5.483 2.234 ( 4.538 -6.668 1.338) 8.175 2.343 ( 2.343 1.605 1.185) 3.077 3.211 ( -2.887 -3.457 -2.107) 4.973 3.389 ( 3.766 1.579 3.928) 5.666 3.435 ( 0.869 -1.831 -2.008) 2.853 3.632 ( 4.556 0.514 -4.255) 6.255 3.969 ( -0.954 -1.576 -2.233) 2.895 4.134 ( 6.967 1.443 3.668) 8.005 4.476 ( -1.185 -2.228 -3.923) 4.665 4.616 ( 2.335 4.611 -3.137) 6.047 4.898 ( -1.066 -5.022 1.801) 5.440 5.141 ( -2.095 -3.485 -5.106) 6.528 5.407 ( 6.120 5.954 11.063) 13.975 5.589 ( 0.411 0.691 9.338) 9.373 8.339 ( -2.256 4.029 -2.205) 5.117 8.551 ( -3.800 -2.791 -1.228) 4.872 9.238 ( 1.319 0.661 -13.305) 13.386 9.843 ( 0.023 -4.507 -9.729) 10.722 9.983 ( -2.274 1.351 10.523) 10.850 10.233 ( 7.996 2.014 0.073) 8.246 10.824 ( -1.996 1.468 0.790) 2.601 10.831 ( -6.458 1.005 1.218) 6.649 10.954 ( -1.271 0.386 3.829) 4.052 11.199 ( 1.516 0.885 -2.906) 3.395 26.689 ( 1.371 1.289 -0.419) 1.928 26.881 ( 7.129 -8.532 1.783) 11.260 27.176 ( -3.879 3.511 -5.575) 7.645 27.353 ( -8.807 6.680 1.147) 11.113 27.711 ( -11.192 -2.208 -5.638) 12.725 28.506 ( -0.093 1.900 -1.363) 2.341 29.000 ( 0.077 -1.588 -1.172) 1.975 29.097 ( -1.113 0.566 1.781) 2.175 ======================= Grid point 119 (74/105) ======================= q-point: ( 0.17 -0.17 0.17) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 2.594 15.144 -0.000) 15.365 0.952 ( -13.917 10.256 -0.000) 17.288 1.504 ( 11.500 12.468 0.000) 16.962 1.975 ( -0.963 7.997 -0.000) 8.054 2.354 ( 4.502 -5.459 0.000) 7.076 2.417 ( -4.951 -5.472 -0.000) 7.380 3.007 ( 2.582 4.537 0.000) 5.220 3.422 ( 2.183 5.320 0.000) 5.751 3.470 ( -0.264 -3.072 0.000) 3.084 3.751 ( -0.643 0.822 -0.000) 1.043 3.983 ( 0.422 8.694 -0.000) 8.705 4.027 ( -8.100 5.577 -0.000) 9.834 4.197 ( 0.906 2.630 0.000) 2.782 4.694 ( -4.437 4.650 -0.000) 6.428 5.078 ( -4.380 -14.814 0.000) 15.448 5.212 ( 5.598 3.618 0.000) 6.665 5.596 ( 2.732 -0.690 0.000) 2.818 5.905 ( 0.965 -9.866 0.000) 9.913 8.019 ( -2.653 8.412 -0.000) 8.821 8.408 ( 2.882 -0.533 0.000) 2.931 8.944 ( 0.208 12.046 -0.000) 12.048 9.507 ( -1.859 7.888 -0.000) 8.105 10.053 ( 1.722 13.340 -0.000) 13.451 10.255 ( -0.221 -10.660 0.000) 10.662 10.847 ( -0.904 -1.723 -0.000) 1.946 10.895 ( 4.258 -7.416 0.000) 8.551 10.997 ( -0.460 0.162 -0.000) 0.488 11.237 ( -1.957 0.277 -0.000) 1.977 26.532 ( -1.362 2.460 -0.000) 2.812 26.878 ( -2.199 2.393 -0.000) 3.250 27.204 ( -3.553 -2.797 -0.000) 4.522 27.258 ( 4.748 6.027 0.000) 7.673 27.497 ( -4.860 -11.508 -0.000) 12.492 28.355 ( 6.288 0.569 0.000) 6.314 28.970 ( -0.394 -0.021 -0.000) 0.395 29.100 ( 0.777 -0.327 0.000) 0.843 ======================= Grid point 120 (75/105) ======================= q-point: ( 0.17 -0.17 0.28) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 1.681 10.820 -0.000) 10.949 1.240 ( 3.525 11.713 -0.000) 12.232 1.778 ( 6.090 0.651 0.000) 6.125 2.182 ( -5.640 -5.738 -0.000) 8.046 2.221 ( 0.418 10.470 -0.000) 10.478 2.320 ( 4.009 -5.968 0.000) 7.190 3.186 ( 6.908 2.455 0.000) 7.331 3.419 ( -0.588 -1.027 -0.000) 1.183 3.543 ( 4.862 -1.367 0.000) 5.051 3.727 ( -1.605 -0.956 -0.000) 1.868 3.987 ( -4.534 2.636 -0.000) 5.245 4.243 ( -0.821 16.803 -0.000) 16.823 4.245 ( -0.803 2.005 -0.000) 2.160 4.675 ( -2.319 -15.955 0.000) 16.123 4.755 ( 0.877 4.126 -0.000) 4.218 5.267 ( 0.877 -4.117 0.000) 4.209 5.539 ( -4.182 -5.108 -0.000) 6.602 5.719 ( 0.020 -7.431 0.000) 7.431 8.100 ( -4.369 6.546 -0.000) 7.870 8.512 ( 5.554 0.923 0.000) 5.630 9.188 ( -0.379 11.886 -0.000) 11.892 9.632 ( 0.319 6.293 -0.000) 6.301 10.024 ( -2.125 -9.587 0.000) 9.820 10.434 ( 4.551 14.878 -0.000) 15.559 10.750 ( -0.816 -7.827 0.000) 7.870 10.768 ( -2.280 -2.118 -0.000) 3.112 11.016 ( 2.061 -2.403 0.000) 3.166 11.177 ( -4.300 0.533 -0.000) 4.333 26.590 ( 0.139 4.141 -0.000) 4.144 26.972 ( -3.256 -10.186 0.000) 10.694 27.032 ( 4.068 10.567 0.000) 11.323 27.259 ( -1.199 -5.079 0.000) 5.218 27.468 ( 2.823 7.084 0.000) 7.626 28.417 ( -3.101 0.675 -0.000) 3.173 28.986 ( 1.608 0.169 0.000) 1.617 29.113 ( 0.485 0.131 0.000) 0.502 ======================= Grid point 121 (76/105) ======================= q-point: ( 0.17 -0.17 0.39) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 10.971 4.012 0.000) 11.681 1.484 ( 3.208 5.077 0.000) 6.006 1.858 ( 1.741 -0.507 0.000) 1.814 1.959 ( -3.916 -6.232 -0.000) 7.360 2.299 ( 3.769 -3.763 0.000) 5.325 2.327 ( -2.669 3.199 -0.000) 4.167 3.353 ( 5.480 -0.344 0.000) 5.491 3.403 ( 0.198 -0.088 0.000) 0.217 3.595 ( 6.343 -2.870 0.000) 6.962 3.643 ( -0.389 -4.643 0.000) 4.659 3.936 ( -3.399 1.053 -0.000) 3.558 4.273 ( -0.276 2.523 -0.000) 2.538 4.374 ( -0.958 -9.943 0.000) 9.989 4.604 ( 1.290 16.274 -0.000) 16.325 4.883 ( 3.386 3.461 0.000) 4.842 5.141 ( -1.476 -5.381 0.000) 5.579 5.256 ( -7.369 -7.788 -0.000) 10.721 5.587 ( -2.204 -4.466 -0.000) 4.980 8.131 ( -3.096 4.634 -0.000) 5.573 8.620 ( 1.611 1.259 0.000) 2.044 9.425 ( 0.839 10.597 -0.000) 10.630 9.766 ( -4.842 -8.344 -0.000) 9.647 9.796 ( 4.245 5.192 0.000) 6.706 10.559 ( -2.726 -7.248 -0.000) 7.744 10.646 ( -1.175 -0.174 -0.000) 1.188 10.840 ( 3.729 10.276 0.000) 10.932 10.959 ( -1.022 -4.005 0.000) 4.134 11.088 ( -5.231 0.411 -0.000) 5.247 26.721 ( 1.753 6.399 -0.000) 6.635 26.779 ( 3.682 -8.190 0.000) 8.979 27.157 ( -2.220 -2.080 -0.000) 3.042 27.303 ( 2.915 4.067 0.000) 5.004 27.751 ( 3.056 15.835 -0.000) 16.127 28.265 ( -9.168 -2.513 -0.000) 9.506 29.023 ( 1.152 0.252 0.000) 1.179 29.116 ( -0.511 0.072 -0.000) 0.516 ======================= Grid point 122 (77/105) ======================= q-point: ( 0.17 0.83 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 3.459 -5.916 0.000) 6.853 1.584 ( 4.104 -3.281 0.000) 5.254 1.776 ( -1.036 -5.637 0.000) 5.731 1.871 ( 2.951 -0.791 0.000) 3.056 2.306 ( 0.911 -0.485 0.000) 1.032 2.323 ( -1.755 1.802 -0.000) 2.515 3.385 ( 1.599 -2.043 0.000) 2.594 3.416 ( 2.476 -2.224 0.000) 3.329 3.556 ( 1.662 -4.821 0.000) 5.100 3.695 ( 5.747 -1.044 0.000) 5.841 3.949 ( 1.647 2.722 0.000) 3.181 4.153 ( -2.688 -6.902 -0.000) 7.407 4.387 ( 0.646 7.189 -0.000) 7.218 4.841 ( 2.970 -2.512 0.000) 3.890 4.994 ( -4.381 -5.379 -0.000) 6.937 5.013 ( 3.801 5.393 0.000) 6.598 5.148 ( 0.996 8.616 -0.000) 8.673 5.432 ( -5.379 -2.908 -0.000) 6.115 8.184 ( 0.221 3.436 -0.000) 3.443 8.607 ( -5.022 0.931 -0.000) 5.107 9.502 ( -6.644 -5.048 -0.000) 8.344 9.653 ( 3.284 7.141 0.000) 7.860 10.022 ( 7.857 4.556 0.000) 9.083 10.327 ( -5.150 -7.454 -0.000) 9.060 10.659 ( 1.750 1.940 0.000) 2.613 10.819 ( -4.917 -3.523 -0.000) 6.049 10.980 ( -5.175 -0.257 -0.000) 5.182 11.088 ( 2.778 6.629 0.000) 7.187 26.767 ( 7.203 -5.079 0.000) 8.814 26.900 ( 2.554 6.063 0.000) 6.579 27.083 ( -3.663 0.975 -0.000) 3.791 27.331 ( 1.484 -3.743 0.000) 4.027 27.952 ( -13.389 -4.758 -0.000) 14.209 28.127 ( -0.891 15.198 -0.000) 15.224 29.040 ( 0.329 0.059 0.000) 0.334 29.095 ( -1.042 -0.468 -0.000) 1.142 ======================= Grid point 124 (78/105) ======================= q-point: ( 0.17 -0.17 -0.39) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -6.234 -3.919 -0.000) 7.364 1.500 ( 3.686 -10.852 0.000) 11.461 1.689 ( -2.256 -2.025 -0.000) 3.031 1.985 ( 7.888 0.316 0.000) 7.894 2.310 ( -3.354 2.540 -0.000) 4.207 2.323 ( 0.603 -0.427 0.000) 0.739 3.324 ( 0.008 -9.652 0.000) 9.652 3.383 ( 1.484 -0.661 0.000) 1.625 3.515 ( 1.033 -2.173 0.000) 2.406 3.772 ( 0.352 1.916 -0.000) 1.948 4.028 ( -2.221 0.306 -0.000) 2.242 4.071 ( 4.541 1.695 0.000) 4.847 4.552 ( -2.160 5.586 -0.000) 5.989 4.811 ( 8.302 -7.891 0.000) 11.453 4.858 ( 0.273 -0.904 0.000) 0.945 5.242 ( -6.589 -3.921 -0.000) 7.667 5.242 ( 3.895 7.631 0.000) 8.567 5.400 ( 4.465 8.453 0.000) 9.560 8.268 ( 2.147 1.826 0.000) 2.819 8.470 ( -8.650 0.000 -0.000) 8.650 9.302 ( -7.633 -0.175 -0.000) 7.635 9.853 ( 5.982 3.172 0.000) 6.771 10.043 ( -7.453 -7.059 -0.000) 10.265 10.304 ( 9.713 4.964 0.000) 10.908 10.610 ( -9.390 -2.464 -0.000) 9.708 10.786 ( 3.858 3.884 0.000) 5.475 10.882 ( -3.135 -0.467 -0.000) 3.169 11.229 ( 1.407 2.878 0.000) 3.203 26.809 ( 5.240 -4.889 0.000) 7.166 27.031 ( -6.273 3.199 -0.000) 7.041 27.067 ( 2.812 4.674 0.000) 5.454 27.277 ( 6.712 -8.187 0.000) 10.586 27.557 ( -14.736 -3.423 -0.000) 15.128 28.298 ( -6.647 9.534 -0.000) 11.622 29.048 ( 0.218 0.403 0.000) 0.458 29.055 ( -0.768 -1.683 -0.000) 1.850 ======================= Grid point 125 (79/105) ======================= q-point: ( 0.17 -0.17 -0.28) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -11.368 0.402 -0.000) 11.376 1.311 ( -0.940 -10.998 0.000) 11.038 1.571 ( -7.856 1.960 -0.000) 8.097 2.161 ( 5.488 2.957 0.000) 6.234 2.210 ( -9.345 -0.417 -0.000) 9.355 2.364 ( 5.937 -2.223 0.000) 6.340 3.118 ( -3.119 -5.303 -0.000) 6.152 3.419 ( 1.878 0.381 0.000) 1.916 3.474 ( -0.796 -1.899 -0.000) 2.059 3.778 ( -1.213 0.146 -0.000) 1.222 4.026 ( -3.084 3.324 -0.000) 4.534 4.179 ( 0.550 2.983 -0.000) 3.034 4.389 ( -9.799 -5.564 -0.000) 11.268 4.891 ( 14.395 -7.324 0.000) 16.151 4.949 ( -2.887 -6.684 -0.000) 7.281 5.065 ( 0.239 6.726 -0.000) 6.730 5.462 ( 2.486 6.657 0.000) 7.106 5.661 ( 8.200 4.173 0.000) 9.201 8.261 ( -9.585 -1.846 -0.000) 9.761 8.341 ( 1.864 1.373 0.000) 2.315 9.148 ( -9.784 1.740 -0.000) 9.938 9.750 ( -8.405 -5.003 -0.000) 9.781 10.045 ( 8.763 0.965 0.000) 8.816 10.334 ( -13.491 -0.937 -0.000) 13.524 10.613 ( 9.312 5.543 0.000) 10.837 10.840 ( 0.041 -0.570 0.000) 0.571 10.938 ( 3.408 2.545 0.000) 4.253 11.269 ( -0.144 -0.078 -0.000) 0.164 26.706 ( -4.331 -5.835 -0.000) 7.267 26.956 ( -3.886 0.455 -0.000) 3.912 27.182 ( 2.581 0.449 0.000) 2.620 27.307 ( -8.601 3.188 -0.000) 9.172 27.334 ( 13.963 -6.693 0.000) 15.484 28.305 ( -7.574 7.233 -0.000) 10.473 29.001 ( -0.241 -2.149 0.000) 2.163 29.070 ( 0.485 0.997 0.000) 1.108 ======================= Grid point 140 (80/105) ======================= q-point: (-0.31 -0.19 0.19) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 13.102 -8.324 -10.904) 18.970 0.836 ( -11.415 -15.934 -8.296) 21.284 1.200 ( -0.310 -1.064 -23.040) 23.067 1.926 ( 0.177 5.434 8.736) 10.290 2.063 ( -1.117 -3.515 13.301) 13.803 2.288 ( 1.030 -6.484 5.342) 8.464 3.093 ( -0.144 -1.759 -6.117) 6.367 3.154 ( -0.226 -5.178 -2.794) 5.888 3.522 ( 0.909 1.644 3.864) 4.296 3.554 ( -0.503 -0.928 4.106) 4.240 3.949 ( -0.731 2.278 -3.497) 4.238 3.985 ( 1.011 -0.774 -3.673) 3.888 4.373 ( 0.189 -4.618 -6.470) 7.952 4.592 ( -0.203 -3.355 -0.920) 3.485 4.632 ( 0.301 -0.707 -3.173) 3.265 5.294 ( -1.881 3.904 8.098) 9.184 5.411 ( 1.700 -6.285 7.925) 10.256 5.834 ( -0.235 0.244 15.310) 15.314 8.354 ( -0.228 5.738 -16.810) 17.764 8.525 ( 0.465 -0.310 -2.372) 2.437 8.677 ( -0.292 -7.847 -11.137) 13.627 9.522 ( 0.030 -1.240 -11.865) 11.930 9.922 ( 0.001 -2.393 -7.017) 7.414 10.432 ( 0.060 3.204 13.055) 13.442 10.897 ( -0.472 3.542 -1.845) 4.021 10.972 ( 0.376 -2.154 -1.600) 2.710 11.069 ( 0.036 -0.705 -0.529) 0.882 11.169 ( -0.003 1.794 4.035) 4.416 26.655 ( -1.455 -1.166 4.858) 5.204 26.761 ( 1.458 -2.386 3.814) 4.729 27.180 ( -1.127 5.180 -12.675) 13.739 27.443 ( -0.543 -5.393 -9.187) 10.667 27.899 ( 8.972 -14.070 3.847) 17.125 28.037 ( -7.474 -11.175 -4.015) 14.031 28.954 ( 0.087 -0.319 -0.817) 0.882 29.188 ( 0.055 1.129 -0.974) 1.492 ======================= Grid point 145 (81/105) ======================= q-point: ( 0.69 -0.19 -0.25) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -4.508 4.483 1.789) 6.605 1.610 ( 1.021 -0.795 -0.299) 1.328 1.969 ( -3.047 6.325 -0.908) 7.079 2.060 ( -3.719 -1.828 0.035) 4.144 2.171 ( 2.474 0.543 1.248) 2.824 2.284 ( 3.206 -4.121 -0.843) 5.289 3.422 ( -2.178 2.064 -1.119) 3.202 3.507 ( 0.795 -0.842 1.530) 1.919 3.670 ( -2.323 1.678 -1.805) 3.387 3.753 ( 1.404 -0.017 -0.360) 1.449 3.995 ( -6.494 6.043 1.644) 9.021 4.206 ( 2.495 -3.207 -0.596) 4.107 4.435 ( -4.797 4.027 3.124) 6.999 4.641 ( 5.342 0.113 -0.374) 5.357 4.777 ( -1.929 -2.632 -3.437) 4.739 4.986 ( 7.822 -7.068 1.083) 10.598 5.335 ( -2.672 1.954 -0.844) 3.416 5.465 ( 3.631 -3.122 -0.041) 4.789 8.215 ( -3.400 3.330 0.345) 4.772 8.390 ( 4.678 -4.625 0.168) 6.580 9.353 ( -6.254 6.263 1.708) 9.014 9.628 ( 6.786 -6.828 -1.548) 9.750 10.139 ( -6.146 6.324 2.136) 9.074 10.371 ( 3.935 -4.152 -2.518) 6.250 10.748 ( -3.142 3.417 1.305) 4.822 10.820 ( -0.563 1.320 0.574) 1.545 10.880 ( 0.521 -3.055 2.080) 3.733 10.918 ( 4.853 -3.269 -3.028) 6.588 26.830 ( -2.824 3.408 0.785) 4.495 26.963 ( 2.778 -3.571 -0.759) 4.587 27.251 ( -3.449 4.416 -3.202) 6.453 27.377 ( -0.561 -2.125 1.761) 2.816 27.628 ( -2.854 6.715 3.359) 8.032 27.909 ( 6.050 -7.987 -1.025) 10.072 29.052 ( -0.397 0.385 -0.081) 0.559 29.072 ( 0.606 -0.588 0.097) 0.850 ======================= Grid point 149 (82/105) ======================= q-point: (-0.54 -0.21 0.21) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.433 -1.836 -1.222) 2.248 1.303 ( 3.075 -5.386 -2.046) 6.531 1.647 ( 4.367 -0.297 -6.973) 8.233 1.987 ( 0.599 -6.422 -0.949) 6.519 2.083 ( -6.662 -5.576 1.740) 8.860 2.378 ( 1.553 -2.543 2.149) 3.674 3.179 ( -0.036 3.328 -3.455) 4.797 3.398 ( -0.118 -4.480 -1.957) 4.890 3.443 ( 2.323 -1.705 5.130) 5.885 3.619 ( -1.815 -4.054 -1.317) 4.633 3.932 ( -1.656 1.213 -3.946) 4.448 4.172 ( 1.788 -7.071 2.537) 7.722 4.449 ( -0.694 0.758 -0.670) 1.227 4.706 ( 3.821 -2.204 -1.069) 4.538 4.815 ( -2.644 2.299 0.443) 3.532 5.071 ( -2.700 1.524 -7.457) 8.076 5.500 ( 1.514 -0.465 8.195) 8.346 5.570 ( -0.910 -7.211 13.153) 15.028 8.390 ( -1.073 4.308 -5.373) 6.971 8.510 ( 0.924 1.880 1.625) 2.651 9.258 ( 1.038 -2.209 -14.662) 14.864 9.768 ( -2.250 1.476 -8.404) 8.825 9.997 ( -0.160 2.246 12.569) 12.769 10.284 ( 2.501 -9.481 -2.710) 10.173 10.806 ( -2.272 1.838 -0.120) 2.925 10.862 ( 1.594 7.021 0.419) 7.212 10.987 ( 2.135 0.681 4.756) 5.258 11.194 ( -1.385 -1.387 -2.605) 3.261 26.721 ( -4.692 -6.017 1.783) 7.835 26.736 ( 1.428 0.921 -0.207) 1.712 27.199 ( -1.080 1.985 -3.002) 3.758 27.461 ( 1.000 11.576 -2.516) 11.888 27.739 ( 6.643 10.787 -3.384) 13.113 28.471 ( -4.717 -2.874 -2.678) 6.139 28.985 ( 0.305 0.368 -0.950) 1.063 29.113 ( 0.780 0.874 1.352) 1.789 ======================= Grid point 150 (83/105) ======================= q-point: (-0.54 -0.21 0.32) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.374 -7.972 -4.609) 9.216 1.300 ( 7.174 -5.682 -1.271) 9.240 1.704 ( 1.900 -3.562 -14.670) 15.215 1.805 ( -0.227 -3.261 -0.190) 3.274 1.987 ( 6.517 -4.742 6.173) 10.153 2.323 ( 1.945 -5.634 6.553) 8.858 3.227 ( 0.771 0.152 -2.498) 2.619 3.313 ( 3.184 -5.093 -2.555) 6.527 3.469 ( 1.318 0.218 3.359) 3.615 3.507 ( -1.805 -2.653 0.648) 3.274 3.948 ( -0.257 2.477 -2.151) 3.291 4.087 ( 0.354 -4.185 -0.327) 4.213 4.475 ( 0.433 1.793 -0.164) 1.851 4.659 ( -1.382 -3.861 -1.136) 4.256 4.858 ( 4.093 -1.001 -4.032) 5.832 5.078 ( 0.861 2.965 -1.776) 3.562 5.358 ( -3.876 -6.861 11.422) 13.877 5.553 ( 2.536 0.826 10.423) 10.759 8.396 ( -4.954 4.127 -3.983) 7.579 8.605 ( 3.243 0.795 -0.850) 3.446 9.198 ( 0.868 -3.969 -19.641) 20.056 9.793 ( 1.561 1.111 -9.356) 9.550 10.037 ( -1.384 2.575 15.680) 15.950 10.144 ( 1.161 -6.966 -3.681) 7.964 10.809 ( -2.348 3.460 1.732) 4.526 10.962 ( -0.190 2.070 1.351) 2.479 11.079 ( 2.240 2.764 0.294) 3.570 11.107 ( -3.198 -2.354 -1.112) 4.124 26.594 ( 0.628 -0.743 1.842) 2.083 26.809 ( 3.777 -2.066 2.151) 4.812 27.188 ( -3.133 3.254 -3.691) 5.834 27.542 ( -7.032 4.757 -5.198) 9.955 28.144 ( 3.081 4.629 -6.634) 8.656 28.254 ( 0.602 -3.035 -1.811) 3.585 29.001 ( 0.960 -0.687 -1.259) 1.726 29.136 ( -0.327 0.588 2.330) 2.425 ======================= Grid point 151 (84/105) ======================= q-point: (-0.54 -0.21 0.43) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 6.856 -0.480 -10.745) 12.755 1.272 ( 2.963 -7.032 2.745) 8.109 1.622 ( -2.390 -0.153 -6.711) 7.125 1.866 ( 6.791 -1.887 -2.275) 7.407 2.070 ( 9.867 -5.809 4.594) 12.337 2.284 ( 3.464 -1.815 5.299) 6.586 3.238 ( 0.667 -1.176 -2.404) 2.758 3.306 ( 3.631 -2.208 0.614) 4.294 3.435 ( -0.747 -1.063 -0.424) 1.367 3.538 ( 3.784 1.022 -0.569) 3.961 3.990 ( -1.100 -0.642 -0.975) 1.604 4.040 ( 2.402 0.669 -0.245) 2.505 4.508 ( -0.731 -2.156 -3.055) 3.810 4.577 ( 0.407 2.541 -1.078) 2.790 4.883 ( 2.388 -3.479 -4.767) 6.367 5.176 ( -1.529 -5.047 3.604) 6.387 5.265 ( 6.418 6.412 8.043) 12.124 5.591 ( 0.690 -1.224 10.695) 10.786 8.399 ( -3.528 4.654 -2.801) 6.477 8.604 ( -1.242 -2.929 -2.026) 3.772 9.187 ( 3.028 -0.713 -19.014) 19.267 9.828 ( 1.356 -2.167 -11.289) 11.575 10.036 ( -2.453 1.149 14.359) 14.612 10.104 ( 4.289 -0.464 -0.562) 4.350 10.844 ( -1.560 2.864 0.965) 3.401 10.966 ( -4.927 1.623 2.162) 5.620 10.984 ( -1.612 -1.757 1.076) 2.616 11.162 ( 2.067 0.821 -1.797) 2.860 26.657 ( 2.010 1.925 0.253) 2.795 26.776 ( 3.320 -6.715 3.271) 8.174 27.270 ( -4.064 5.680 -8.613) 11.089 27.484 ( -4.218 6.281 0.567) 7.588 27.924 ( -9.096 -4.009 -7.397) 12.391 28.444 ( 6.458 -0.910 -1.786) 6.762 28.993 ( 0.548 -1.213 -1.457) 1.974 29.124 ( -1.388 0.431 2.690) 3.058 ======================= Grid point 160 (85/105) ======================= q-point: ( 0.22 -0.22 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -7.827 4.589 -0.000) 9.073 1.169 ( 3.063 11.753 -0.000) 12.146 1.652 ( 5.503 4.017 0.000) 6.814 2.208 ( 0.455 11.570 -0.000) 11.578 2.234 ( 3.958 -6.255 0.000) 7.402 2.293 ( -4.590 -6.078 -0.000) 7.617 3.088 ( 2.119 3.412 0.000) 4.016 3.425 ( 0.071 -1.505 0.000) 1.507 3.473 ( 1.781 0.447 0.000) 1.836 3.760 ( -1.513 -0.164 -0.000) 1.522 4.057 ( -1.129 1.019 -0.000) 1.521 4.235 ( 1.856 0.826 0.000) 2.032 4.282 ( -3.684 14.784 -0.000) 15.236 4.756 ( -5.453 -15.413 -0.000) 16.349 4.802 ( -5.471 5.875 -0.000) 8.028 5.205 ( 5.230 -3.599 0.000) 6.349 5.560 ( 2.349 -2.802 0.000) 3.656 5.707 ( 0.874 -9.189 0.000) 9.231 8.196 ( -4.298 8.389 -0.000) 9.426 8.402 ( 4.493 0.098 0.000) 4.494 9.181 ( 1.104 10.740 -0.000) 10.796 9.663 ( -3.124 7.035 -0.000) 7.697 10.049 ( -0.431 -9.188 0.000) 9.198 10.356 ( 2.726 15.189 -0.000) 15.432 10.716 ( 3.831 -9.550 0.000) 10.290 10.814 ( -1.922 -1.318 -0.000) 2.331 10.979 ( 1.642 -1.839 0.000) 2.465 11.245 ( -2.247 0.392 -0.000) 2.281 26.617 ( -2.771 4.893 -0.000) 5.623 26.974 ( 1.653 7.604 -0.000) 7.782 27.092 ( -7.314 -8.787 -0.000) 11.433 27.272 ( -0.395 -7.820 0.000) 7.830 27.391 ( 4.327 7.237 0.000) 8.432 28.418 ( 3.050 4.343 0.000) 5.307 28.970 ( -0.436 0.181 -0.000) 0.472 29.094 ( 1.201 -0.168 0.000) 1.213 ======================= Grid point 161 (86/105) ======================= q-point: ( 0.22 -0.22 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 5.942 2.997 0.000) 6.655 1.413 ( 3.755 4.447 0.000) 5.820 1.797 ( 4.068 1.074 0.000) 4.207 2.065 ( -5.903 -5.440 -0.000) 8.027 2.200 ( 5.309 -5.570 0.000) 7.695 2.367 ( -1.118 3.355 -0.000) 3.536 3.236 ( 5.249 2.490 0.000) 5.810 3.402 ( 0.118 -1.077 0.000) 1.084 3.502 ( 2.949 -1.996 0.000) 3.561 3.671 ( -2.346 -4.557 -0.000) 5.126 4.002 ( -2.979 -0.625 -0.000) 3.044 4.263 ( 1.589 -1.836 0.000) 2.429 4.415 ( -3.288 -6.763 -0.000) 7.520 4.574 ( 1.687 13.149 -0.000) 13.257 4.854 ( -1.017 4.821 -0.000) 4.927 5.154 ( 0.408 -4.920 0.000) 4.937 5.403 ( -6.403 -7.507 -0.000) 9.867 5.581 ( 2.369 -6.210 0.000) 6.646 8.231 ( -6.014 5.999 -0.000) 8.495 8.538 ( 5.624 1.567 0.000) 5.838 9.412 ( 0.825 9.603 -0.000) 9.638 9.752 ( 0.050 5.229 -0.000) 5.229 9.843 ( -2.689 -7.813 -0.000) 8.263 10.571 ( 1.376 -9.330 0.000) 9.431 10.676 ( -0.624 4.743 -0.000) 4.784 10.778 ( 1.300 6.771 -0.000) 6.894 10.964 ( 0.605 -2.302 0.000) 2.380 11.185 ( -3.947 -0.007 -0.000) 3.947 26.698 ( 0.519 5.566 -0.000) 5.590 26.766 ( -2.542 -8.871 0.000) 9.228 27.190 ( -1.012 -1.825 -0.000) 2.087 27.254 ( 2.135 10.130 -0.000) 10.352 27.664 ( 5.016 12.425 0.000) 13.399 28.421 ( -5.813 -0.611 -0.000) 5.845 28.995 ( 1.313 0.727 0.000) 1.500 29.115 ( 0.628 0.028 0.000) 0.628 ======================= Grid point 162 (87/105) ======================= q-point: (-0.78 -0.22 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 9.549 -4.843 0.000) 10.707 1.506 ( 3.637 -2.918 0.000) 4.663 1.834 ( -4.615 -5.500 -0.000) 7.179 1.858 ( 0.486 0.338 0.000) 0.592 2.230 ( 5.888 -3.004 0.000) 6.610 2.347 ( -0.587 -1.486 -0.000) 1.598 3.347 ( 2.245 -0.083 0.000) 2.246 3.380 ( 1.361 -2.798 0.000) 3.111 3.534 ( 0.033 -4.380 0.000) 4.380 3.556 ( 6.095 -1.076 0.000) 6.189 3.951 ( -0.938 0.545 -0.000) 1.085 4.185 ( -0.360 -6.042 0.000) 6.052 4.381 ( -0.363 4.910 -0.000) 4.924 4.796 ( 1.887 -0.632 0.000) 1.990 4.923 ( 4.137 2.397 0.000) 4.781 5.104 ( -6.304 -6.819 -0.000) 9.287 5.154 ( -1.062 7.551 -0.000) 7.626 5.495 ( -0.458 -4.379 0.000) 4.403 8.228 ( -4.271 4.701 -0.000) 6.351 8.646 ( 1.168 1.084 0.000) 1.593 9.606 ( 1.548 6.676 -0.000) 6.853 9.623 ( -5.039 -5.234 -0.000) 7.266 9.894 ( 4.335 4.391 0.000) 6.170 10.387 ( -0.807 -9.229 0.000) 9.264 10.657 ( -1.511 1.854 -0.000) 2.391 10.904 ( -2.965 -1.260 -0.000) 3.222 11.027 ( 3.123 7.370 0.000) 8.004 11.083 ( -4.722 -1.059 -0.000) 4.840 26.652 ( 3.552 -3.846 0.000) 5.235 26.845 ( 2.804 4.306 0.000) 5.138 27.139 ( -1.943 0.601 -0.000) 2.034 27.355 ( -3.414 2.132 -0.000) 4.025 28.095 ( 4.119 16.088 -0.000) 16.607 28.200 ( -10.488 -3.669 -0.000) 11.112 29.030 ( 0.671 0.451 0.000) 0.809 29.112 ( -0.462 -0.572 -0.000) 0.735 ======================= Grid point 164 (88/105) ======================= q-point: ( 0.22 0.78 -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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 4.910 -6.496 0.000) 8.143 1.427 ( 2.804 -10.055 0.000) 10.438 1.708 ( -0.477 -1.826 0.000) 1.887 1.873 ( 1.834 0.917 0.000) 2.050 2.308 ( 3.672 0.549 0.000) 3.713 2.316 ( 0.953 -2.489 0.000) 2.666 3.317 ( 0.470 -5.806 0.000) 5.825 3.356 ( 1.051 -0.957 0.000) 1.421 3.497 ( 0.947 -1.553 0.000) 1.819 3.698 ( 6.777 0.846 0.000) 6.829 3.991 ( 2.269 1.581 0.000) 2.766 4.061 ( -1.300 -2.503 -0.000) 2.821 4.536 ( 2.578 6.749 0.000) 7.224 4.709 ( 2.151 -7.324 0.000) 7.633 4.893 ( -3.199 -4.184 -0.000) 5.267 5.134 ( 6.144 5.571 0.000) 8.294 5.338 ( 1.846 7.559 -0.000) 7.781 5.367 ( -4.673 -3.457 -0.000) 5.813 8.260 ( -1.454 3.943 -0.000) 4.202 8.612 ( -4.688 -0.677 -0.000) 4.737 9.444 ( -6.168 -0.556 -0.000) 6.193 9.754 ( 3.650 2.735 0.000) 4.561 10.117 ( 8.075 4.738 0.000) 9.363 10.156 ( -3.456 -8.709 -0.000) 9.370 10.727 ( 1.625 4.382 0.000) 4.673 10.785 ( -7.359 0.018 -0.000) 7.359 10.959 ( -4.067 -1.816 -0.000) 4.454 11.191 ( 2.175 3.404 0.000) 4.040 26.698 ( 4.768 -1.564 0.000) 5.018 26.967 ( 6.140 -1.240 0.000) 6.264 27.149 ( -4.345 5.721 -0.000) 7.184 27.263 ( -4.705 -1.517 -0.000) 4.944 27.858 ( -13.915 -4.304 -0.000) 14.565 28.390 ( -1.914 9.857 -0.000) 10.041 29.046 ( 0.086 0.551 -0.000) 0.558 29.072 ( -0.878 -1.868 -0.000) 2.064 ======================= Grid point 166 (89/105) ======================= q-point: ( 0.22 -0.22 -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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 2.748 -9.293 0.000) 9.691 1.302 ( -4.312 -0.114 -0.000) 4.314 1.669 ( -2.288 0.340 -0.000) 2.313 2.019 ( 7.450 2.803 0.000) 7.960 2.280 ( 2.431 -3.520 0.000) 4.278 2.352 ( -3.248 1.530 -0.000) 3.590 3.176 ( -2.735 -4.074 -0.000) 4.907 3.382 ( 1.819 0.414 0.000) 1.865 3.477 ( 0.170 -1.369 0.000) 1.379 3.783 ( 1.260 -1.176 0.000) 1.723 4.050 ( 0.442 1.045 0.000) 1.135 4.125 ( 4.741 3.648 0.000) 5.982 4.577 ( -7.300 -1.685 -0.000) 7.492 4.649 ( 7.810 -7.502 0.000) 10.829 4.905 ( 5.159 3.429 0.000) 6.195 5.151 ( -7.170 -3.945 -0.000) 8.184 5.382 ( 5.437 6.028 0.000) 8.118 5.518 ( 5.545 2.781 0.000) 6.203 8.321 ( -0.147 3.556 -0.000) 3.559 8.443 ( -7.754 -2.801 -0.000) 8.245 9.330 ( -7.777 2.407 -0.000) 8.141 9.887 ( 6.482 0.449 0.000) 6.498 9.899 ( -5.833 -6.490 -0.000) 8.726 10.411 ( 9.903 5.275 0.000) 11.220 10.600 ( -11.755 1.194 -0.000) 11.816 10.856 ( -1.658 -2.016 -0.000) 2.610 10.869 ( 3.010 3.799 0.000) 4.847 11.262 ( 0.864 0.389 0.000) 0.947 26.731 ( 1.236 -2.558 0.000) 2.841 27.059 ( 11.860 -8.544 0.000) 14.617 27.115 ( -10.528 4.555 -0.000) 11.471 27.171 ( -1.762 1.420 -0.000) 2.263 27.522 ( -11.845 0.172 -0.000) 11.847 28.452 ( -5.753 5.037 -0.000) 7.647 29.010 ( -0.622 -2.268 0.000) 2.352 29.065 ( 0.082 1.200 -0.000) 1.203 ======================= Grid point 182 (90/105) ======================= q-point: (-0.25 -0.25 0.25) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -0.000 0.000 -12.827) 12.827 0.631 ( -0.000 0.000 -12.827) 12.827 1.196 ( -0.000 0.000 -23.819) 23.819 2.017 ( 0.000 -0.000 14.711) 14.711 2.017 ( 0.000 -0.000 14.711) 14.711 2.185 ( 0.000 -0.000 1.717) 1.717 3.071 ( -0.000 0.000 -5.784) 5.784 3.071 ( -0.000 0.000 -5.784) 5.784 3.542 ( 0.000 -0.000 4.242) 4.242 3.542 ( 0.000 -0.000 4.242) 4.242 3.979 ( -0.000 0.000 -3.270) 3.270 3.979 ( -0.000 0.000 -3.270) 3.270 4.316 ( -0.000 0.000 -7.758) 7.758 4.555 ( -0.000 0.000 -2.776) 2.776 4.626 ( -0.000 0.000 -3.970) 3.970 5.339 ( 0.000 -0.000 8.107) 8.107 5.339 ( 0.000 -0.000 8.107) 8.107 5.830 ( 0.000 -0.000 17.702) 17.702 8.505 ( -0.000 0.000 -25.261) 25.261 8.520 ( -0.000 0.000 -2.632) 2.632 8.520 ( -0.000 0.000 -2.632) 2.632 9.508 ( -0.000 0.000 -12.431) 12.431 9.900 ( -0.000 0.000 -7.352) 7.352 10.466 ( 0.000 -0.000 14.315) 14.315 10.948 ( -0.000 0.000 -2.061) 2.061 10.948 ( -0.000 0.000 -2.061) 2.061 11.045 ( -0.000 0.000 -0.954) 0.954 11.195 ( 0.000 -0.000 4.751) 4.751 26.642 ( 0.000 -0.000 5.385) 5.385 26.642 ( 0.000 -0.000 5.385) 5.385 27.339 ( -0.000 0.000 -5.489) 5.489 27.339 ( -0.000 0.000 -5.489) 5.489 27.375 ( -0.000 0.000 -23.358) 23.358 28.014 ( -0.000 0.000 -7.339) 7.339 28.953 ( -0.000 0.000 -0.868) 0.868 29.201 ( -0.000 0.000 -1.209) 1.209 ======================= Grid point 191 (91/105) ======================= q-point: (-0.49 -0.26 0.26) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 3.795 -4.372 -3.423) 6.726 1.165 ( 0.311 -7.598 -1.761) 7.806 1.643 ( 2.034 -0.103 -10.604) 10.798 1.846 ( -0.309 -6.790 -3.703) 7.740 1.946 ( -4.218 -7.187 6.240) 10.411 2.285 ( 1.380 -5.857 6.423) 8.801 3.227 ( -0.329 0.762 -3.089) 3.199 3.276 ( -0.007 -5.691 -0.752) 5.740 3.439 ( 1.182 0.589 2.018) 2.411 3.540 ( -0.956 -3.575 0.575) 3.745 3.962 ( -1.143 1.803 -2.073) 2.976 4.073 ( 1.278 -2.777 0.332) 3.075 4.476 ( -0.650 1.343 -1.663) 2.234 4.640 ( 2.830 -3.055 -0.744) 4.231 4.829 ( -1.253 -1.100 -5.529) 5.775 5.095 ( -2.486 1.343 -0.371) 2.850 5.378 ( 3.499 -7.681 9.443) 12.665 5.538 ( -2.500 -0.176 12.421) 12.672 8.474 ( 0.120 3.792 -5.038) 6.306 8.545 ( -0.217 1.386 -0.175) 1.413 9.185 ( 0.352 -4.183 -20.042) 20.477 9.789 ( -1.095 0.421 -10.554) 10.619 10.050 ( 0.118 2.387 16.153) 16.329 10.118 ( 1.245 -6.161 -2.548) 6.782 10.858 ( -1.721 3.253 -1.108) 3.843 10.955 ( 0.272 2.267 3.627) 4.286 11.025 ( 2.843 2.586 0.938) 3.956 11.156 ( -1.402 -2.237 -1.468) 3.021 26.622 ( -3.647 -3.571 2.493) 5.681 26.741 ( 2.621 -0.975 1.260) 3.067 27.275 ( -4.041 5.055 -6.048) 8.858 27.629 ( 1.584 3.618 -4.033) 5.645 27.930 ( 8.488 6.752 -3.371) 11.358 28.359 ( -6.025 -8.144 -4.181) 10.959 28.985 ( 0.383 -0.387 -1.440) 1.540 29.134 ( 0.408 1.155 2.787) 3.044 ======================= Grid point 192 (92/105) ======================= q-point: (-0.49 -0.26 0.38) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.396 -3.807 -9.499) 10.241 1.154 ( 9.031 -8.407 -0.768) 12.362 1.653 ( 0.870 -1.234 -16.453) 16.522 1.754 ( 1.499 -1.572 3.383) 4.020 1.884 ( 7.438 -5.207 9.032) 12.807 2.207 ( 3.442 -4.391 7.164) 9.080 3.207 ( 1.385 -1.311 -1.959) 2.734 3.236 ( 3.191 -2.858 -2.183) 4.808 3.458 ( -1.256 -1.073 1.187) 2.034 3.484 ( 1.721 0.340 2.385) 2.961 4.004 ( 0.078 2.541 -1.149) 2.789 4.029 ( -1.029 -1.632 -1.450) 2.414 4.491 ( 1.147 -0.326 -3.745) 3.931 4.603 ( -1.366 -1.147 -0.363) 1.820 4.821 ( 2.777 -1.826 -8.423) 9.055 5.157 ( 2.703 3.740 7.124) 8.488 5.223 ( -1.915 -4.895 5.449) 7.571 5.543 ( 3.612 -2.258 13.227) 13.896 8.477 ( -3.838 3.769 -3.200) 6.260 8.602 ( 1.322 -1.210 -1.588) 2.395 9.131 ( 2.109 -2.262 -23.266) 23.470 9.797 ( 1.310 -0.622 -11.486) 11.577 10.050 ( 1.386 -2.196 -2.190) 3.397 10.076 ( -1.353 1.238 17.636) 17.731 10.888 ( -2.549 3.742 0.724) 4.585 10.992 ( 0.150 0.601 -0.377) 0.725 11.058 ( -3.251 -1.739 1.724) 4.070 11.115 ( 2.389 0.670 -0.393) 2.512 26.601 ( 3.316 0.824 1.480) 3.724 26.719 ( 2.695 -5.919 4.230) 7.759 27.306 ( -0.768 8.202 -5.235) 9.760 27.573 ( -4.335 -2.264 -4.541) 6.674 28.070 ( -4.024 -7.628 -8.150) 11.866 28.234 ( 12.530 -1.858 -3.317) 13.094 28.982 ( 0.462 -0.765 -1.568) 1.805 29.149 ( -0.900 0.648 3.547) 3.717 ======================= Grid point 202 (93/105) ======================= q-point: ( 0.28 -0.28 0.28) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -3.177 -0.201 -0.000) 3.184 1.337 ( 3.134 3.824 0.000) 4.944 1.711 ( 3.571 1.896 0.000) 4.043 2.096 ( 4.539 -6.769 0.000) 8.150 2.185 ( -5.443 -4.245 -0.000) 6.903 2.373 ( 0.453 3.495 -0.000) 3.524 3.157 ( 1.923 3.546 0.000) 4.034 3.394 ( 0.595 -1.866 0.000) 1.959 3.467 ( 0.518 -0.657 0.000) 0.837 3.732 ( -3.226 -2.827 -0.000) 4.290 4.050 ( -1.274 -1.575 -0.000) 2.026 4.206 ( 3.691 -4.290 0.000) 5.659 4.510 ( -5.800 -6.579 -0.000) 8.770 4.551 ( -0.023 10.354 -0.000) 10.354 4.908 ( -2.958 1.825 -0.000) 3.476 5.128 ( 1.422 -0.610 0.000) 1.547 5.481 ( 1.759 -4.773 0.000) 5.087 5.527 ( 0.095 -8.277 0.000) 8.278 8.355 ( -5.503 6.894 -0.000) 8.821 8.417 ( 5.556 1.376 0.000) 5.724 9.381 ( 2.175 8.491 -0.000) 8.765 9.791 ( -3.710 5.253 -0.000) 6.431 9.880 ( -1.005 -7.115 0.000) 7.185 10.511 ( 4.131 -10.077 0.000) 10.891 10.645 ( 2.658 11.875 -0.000) 12.169 10.804 ( -2.668 0.952 -0.000) 2.833 10.934 ( 2.326 -2.190 0.000) 3.195 11.246 ( -1.894 -0.424 -0.000) 1.941 26.699 ( -0.697 2.775 -0.000) 2.861 26.877 ( -7.760 -10.250 -0.000) 12.856 27.197 ( 0.439 -0.415 0.000) 0.604 27.201 ( 3.340 13.675 -0.000) 14.077 27.566 ( 3.887 9.692 0.000) 10.443 28.495 ( -0.987 2.442 -0.000) 2.634 28.981 ( -0.248 0.820 -0.000) 0.856 29.093 ( 1.387 -0.012 0.000) 1.387 ======================= Grid point 203 (94/105) ======================= q-point: (-0.72 -0.28 0.39) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 6.261 -2.765 0.000) 6.844 1.421 ( 4.708 -3.146 0.000) 5.663 1.815 ( 3.514 0.591 0.000) 3.564 1.954 ( -6.316 -5.563 -0.000) 8.417 2.094 ( 6.231 -4.617 0.000) 7.755 2.350 ( 0.246 -4.905 0.000) 4.911 3.291 ( 3.064 2.546 0.000) 3.983 3.353 ( 1.236 -3.925 0.000) 4.115 3.469 ( 2.355 -1.239 0.000) 2.661 3.566 ( -2.974 -4.571 -0.000) 5.453 3.976 ( -1.441 -1.422 -0.000) 2.024 4.166 ( 2.144 -4.857 0.000) 5.309 4.408 ( -2.285 2.920 -0.000) 3.707 4.743 ( 3.067 2.489 0.000) 3.950 4.870 ( 1.154 -1.774 0.000) 2.117 5.180 ( -1.522 6.734 -0.000) 6.904 5.246 ( -7.068 -7.473 -0.000) 10.286 5.457 ( 3.748 -5.839 0.000) 6.939 8.344 ( -6.446 4.885 -0.000) 8.088 8.576 ( 5.054 2.015 0.000) 5.441 9.574 ( 1.815 5.881 -0.000) 6.155 9.708 ( -3.194 -5.170 -0.000) 6.077 9.846 ( 0.379 3.907 -0.000) 3.925 10.371 ( 2.122 -9.826 0.000) 10.053 10.714 ( -3.735 2.004 -0.000) 4.239 10.933 ( 0.108 -0.494 0.000) 0.506 10.960 ( 3.306 7.824 0.000) 8.494 11.170 ( -3.557 -1.525 -0.000) 3.871 26.626 ( -1.121 -4.564 0.000) 4.700 26.787 ( 2.719 2.394 0.000) 3.623 27.180 ( -2.383 0.871 -0.000) 2.537 27.445 ( -4.519 8.701 -0.000) 9.804 27.959 ( 8.794 14.678 0.000) 17.110 28.384 ( -7.379 -3.000 -0.000) 7.966 29.013 ( 0.873 0.928 0.000) 1.274 29.111 ( 0.611 -0.577 0.000) 0.840 ======================= Grid point 205 (95/105) ======================= q-point: ( 0.28 0.72 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 7.724 -6.693 0.000) 10.221 1.381 ( 2.283 -8.492 0.000) 8.794 1.743 ( -3.425 -3.151 -0.000) 4.654 1.862 ( 0.884 -0.209 0.000) 0.908 2.174 ( 8.541 -2.312 0.000) 8.848 2.268 ( 3.480 -5.680 0.000) 6.661 3.301 ( 1.304 -3.595 0.000) 3.824 3.340 ( 0.746 -1.104 0.000) 1.333 3.480 ( 0.373 -1.712 0.000) 1.753 3.547 ( 6.552 0.169 0.000) 6.554 3.968 ( 0.398 1.328 -0.000) 1.386 4.085 ( -0.874 -3.831 0.000) 3.930 4.488 ( 1.528 5.201 -0.000) 5.421 4.692 ( 0.146 -6.107 0.000) 6.108 4.976 ( -4.915 -5.488 -0.000) 7.367 5.005 ( 5.967 4.312 0.000) 7.362 5.313 ( 0.734 5.700 -0.000) 5.747 5.410 ( 0.654 -3.739 0.000) 3.796 8.324 ( -4.517 4.604 -0.000) 6.449 8.657 ( 0.243 -0.249 0.000) 0.348 9.555 ( -4.536 -1.381 -0.000) 4.742 9.696 ( 2.209 2.189 0.000) 3.110 9.981 ( 4.949 4.028 0.000) 6.381 10.193 ( -0.338 -9.124 0.000) 9.130 10.725 ( -1.372 4.449 -0.000) 4.656 10.905 ( -3.988 1.196 -0.000) 4.163 11.043 ( -4.036 -2.791 -0.000) 4.907 11.140 ( 2.720 3.678 0.000) 4.574 26.621 ( 2.832 0.609 0.000) 2.897 26.855 ( 4.471 -3.543 0.000) 5.705 27.199 ( -0.859 5.828 -0.000) 5.891 27.416 ( -9.130 3.294 -0.000) 9.706 28.115 ( -10.700 -4.586 -0.000) 11.641 28.368 ( 4.269 9.533 0.000) 10.445 29.042 ( 0.319 0.693 0.000) 0.763 29.087 ( -0.397 -2.001 0.000) 2.040 ======================= Grid point 207 (96/105) ======================= q-point: ( 0.28 0.72 -0.39) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 2.253 -8.336 0.000) 8.635 1.280 ( 5.946 -0.959 0.000) 6.023 1.691 ( -0.468 0.537 -0.000) 0.712 1.904 ( 3.394 2.046 0.000) 3.963 2.232 ( 3.002 -5.299 0.000) 6.090 2.323 ( 5.841 0.823 0.000) 5.899 3.232 ( -2.482 -1.965 -0.000) 3.166 3.340 ( 2.184 -0.590 0.000) 2.262 3.468 ( 0.830 -1.327 0.000) 1.565 3.700 ( 6.710 -1.253 0.000) 6.826 4.029 ( 1.074 -1.044 0.000) 1.498 4.032 ( 2.886 2.778 0.000) 4.006 4.572 ( 0.636 -5.747 0.000) 5.782 4.645 ( 1.338 3.399 0.000) 3.653 4.837 ( -0.266 -0.776 -0.000) 0.820 5.247 ( 7.233 5.406 0.000) 9.030 5.291 ( -5.320 -3.723 -0.000) 6.493 5.424 ( 3.813 0.706 0.000) 3.878 8.350 ( -2.554 4.834 -0.000) 5.467 8.571 ( -4.517 -3.348 -0.000) 5.622 9.468 ( -5.542 2.413 -0.000) 6.044 9.777 ( 4.194 -0.143 0.000) 4.196 9.989 ( -2.990 -7.007 -0.000) 7.618 10.216 ( 8.761 4.736 0.000) 9.959 10.806 ( -8.118 1.537 -0.000) 8.262 10.824 ( 1.194 4.538 -0.000) 4.692 10.909 ( -3.254 -2.698 -0.000) 4.227 11.233 ( 1.906 0.735 0.000) 2.043 26.696 ( 1.699 1.132 0.000) 2.042 26.854 ( 7.967 -7.927 0.000) 11.238 27.263 ( -7.052 0.089 -0.000) 7.052 27.320 ( -7.856 10.199 -0.000) 12.874 27.779 ( -12.484 -3.092 -0.000) 12.861 28.521 ( -0.652 2.622 -0.000) 2.702 29.025 ( -0.813 -2.180 -0.000) 2.327 29.063 ( 0.135 1.151 -0.000) 1.159 ======================= Grid point 234 (97/105) ======================= q-point: (-0.43 -0.32 0.32) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 5.663 -5.176 -7.298) 10.589 0.987 ( -4.500 -9.096 -5.082) 11.350 1.638 ( -0.307 -0.202 -16.231) 16.235 1.749 ( 0.916 -2.220 5.700) 6.185 1.806 ( -1.075 -5.993 9.221) 11.050 2.165 ( 0.250 -4.940 6.934) 8.517 3.190 ( 0.110 -2.625 -2.138) 3.387 3.203 ( -0.245 -2.642 -2.335) 3.535 3.455 ( 0.670 0.768 2.287) 2.503 3.483 ( -0.592 -1.796 2.257) 2.944 4.006 ( -0.475 2.182 -1.591) 2.742 4.040 ( 0.476 -0.756 -1.276) 1.557 4.481 ( -0.175 -0.814 -4.803) 4.875 4.605 ( 0.761 -0.370 -0.377) 0.926 4.796 ( -0.365 -1.373 -9.460) 9.566 5.138 ( -1.126 2.884 5.416) 6.238 5.244 ( 1.397 -5.048 6.463) 8.320 5.494 ( -0.535 -3.976 15.263) 15.781 8.541 ( 0.148 2.516 -3.227) 4.094 8.565 ( -0.153 0.495 -1.257) 1.360 9.108 ( 0.030 -2.798 -24.763) 24.921 9.785 ( -0.168 -0.608 -11.547) 11.564 10.034 ( 0.207 -2.047 -2.304) 3.089 10.090 ( 0.040 1.294 18.441) 18.486 10.933 ( -0.627 3.717 -1.241) 3.969 10.982 ( 0.030 0.662 0.988) 1.190 11.065 ( 1.896 0.724 0.830) 2.193 11.108 ( -1.303 -1.943 0.819) 2.478 26.568 ( -1.983 -1.742 2.888) 3.912 26.672 ( 1.513 -6.363 3.522) 7.428 27.382 ( -5.412 4.523 -5.703) 9.070 27.576 ( 5.807 -8.433 -1.631) 10.368 27.972 ( 2.507 -4.654 -10.335) 11.609 28.184 ( -2.671 -4.752 -6.449) 8.444 28.976 ( 0.089 -0.299 -1.560) 1.590 29.158 ( 0.066 0.992 3.899) 4.024 ======================= Grid point 245 (98/105) ======================= q-point: (-0.67 -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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -1.497 -2.026 -0.000) 2.519 1.322 ( 4.284 -4.697 0.000) 6.357 1.736 ( 3.541 0.622 0.000) 3.595 1.964 ( 3.870 -6.163 0.000) 7.277 2.110 ( -6.216 -3.440 -0.000) 7.104 2.340 ( 0.705 -6.463 0.000) 6.501 3.235 ( 1.877 3.643 0.000) 4.098 3.336 ( 0.276 -3.760 0.000) 3.770 3.450 ( -0.219 -1.062 0.000) 1.085 3.642 ( -3.886 -5.422 -0.000) 6.671 4.006 ( -1.309 -2.172 -0.000) 2.536 4.103 ( 3.678 -3.967 0.000) 5.410 4.473 ( -3.938 1.194 -0.000) 4.115 4.690 ( 1.918 2.373 0.000) 3.051 4.850 ( 1.135 -3.230 0.000) 3.423 5.222 ( -2.710 6.348 -0.000) 6.902 5.357 ( 4.524 -7.536 0.000) 8.790 5.378 ( -4.099 -5.677 -0.000) 7.002 8.460 ( 5.734 2.720 0.000) 6.346 8.475 ( -5.820 4.624 -0.000) 7.433 9.526 ( 2.815 5.395 0.000) 6.085 9.757 ( -1.665 -4.769 -0.000) 5.051 9.878 ( -3.540 3.313 -0.000) 4.849 10.307 ( 3.909 -9.519 0.000) 10.290 10.794 ( -3.343 3.567 -0.000) 4.888 10.898 ( 2.285 7.062 -0.000) 7.423 10.902 ( 2.821 -0.678 0.000) 2.901 11.224 ( -1.582 -1.748 -0.000) 2.357 26.701 ( -5.983 -6.720 -0.000) 8.998 26.734 ( 2.353 0.706 0.000) 2.457 27.236 ( -2.574 3.975 -0.000) 4.735 27.487 ( 2.812 12.658 -0.000) 12.967 27.782 ( 5.525 10.750 0.000) 12.087 28.503 ( -3.857 -1.828 -0.000) 4.268 29.001 ( -0.054 1.109 -0.000) 1.110 29.090 ( 1.293 -0.421 0.000) 1.360 ======================= Grid point 247 (99/105) ======================= q-point: (-0.67 -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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 3.660 -4.553 0.000) 5.842 1.308 ( 5.010 -7.286 0.000) 8.842 1.812 ( 3.660 -1.280 0.000) 3.877 1.831 ( -3.280 -6.155 -0.000) 6.974 2.009 ( 5.111 -3.590 0.000) 6.246 2.193 ( 3.356 -9.051 0.000) 9.654 3.267 ( 1.599 -3.443 0.000) 3.796 3.316 ( 1.602 -0.829 0.000) 1.804 3.451 ( 2.660 -0.210 0.000) 2.668 3.494 ( -1.685 -2.731 -0.000) 3.209 3.968 ( -0.377 1.024 -0.000) 1.091 4.088 ( 0.692 -2.855 0.000) 2.938 4.481 ( -0.776 3.749 -0.000) 3.828 4.684 ( 0.873 -4.814 0.000) 4.892 4.903 ( 3.611 3.240 0.000) 4.851 5.101 ( -7.066 -6.499 -0.000) 9.600 5.303 ( 0.216 3.585 -0.000) 3.592 5.346 ( 5.145 -4.732 0.000) 6.990 8.433 ( -5.721 3.840 -0.000) 6.890 8.613 ( 3.664 1.312 0.000) 3.892 9.632 ( -3.013 -2.184 -0.000) 3.721 9.652 ( 2.219 1.821 0.000) 2.871 9.918 ( 1.139 3.134 0.000) 3.334 10.177 ( 1.662 -8.557 0.000) 8.717 10.780 ( -3.784 4.186 -0.000) 5.642 10.944 ( 0.087 1.443 -0.000) 1.445 11.080 ( 3.123 3.796 0.000) 4.915 11.122 ( -3.398 -3.093 -0.000) 4.595 26.574 ( 1.483 -0.681 0.000) 1.632 26.781 ( 2.885 -3.102 0.000) 4.237 27.229 ( -3.267 4.036 -0.000) 5.193 27.602 ( -7.981 5.543 -0.000) 9.717 28.207 ( 11.274 8.124 0.000) 13.897 28.297 ( -7.108 -5.255 -0.000) 8.840 29.032 ( 0.545 0.906 0.000) 1.058 29.086 ( 0.422 -1.827 0.000) 1.875 ======================= Grid point 249 (100/105) ======================= q-point: ( 0.33 0.67 -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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 7.528 -0.835 0.000) 7.574 1.194 ( 1.381 -8.433 0.000) 8.545 1.709 ( -1.372 -0.108 -0.000) 1.376 1.843 ( 3.536 -1.493 0.000) 3.838 2.139 ( 10.881 -0.946 0.000) 10.922 2.143 ( 5.274 -5.832 0.000) 7.863 3.261 ( 0.164 -0.253 0.000) 0.302 3.296 ( 2.010 -2.652 0.000) 3.327 3.447 ( 0.805 -1.456 0.000) 1.663 3.554 ( 6.337 0.023 0.000) 6.337 4.007 ( 0.089 2.368 -0.000) 2.369 4.022 ( -0.556 -2.365 0.000) 2.429 4.584 ( -1.159 -4.215 0.000) 4.371 4.585 ( 2.791 4.031 0.000) 4.903 4.886 ( -3.537 -2.967 -0.000) 4.617 5.098 ( 6.840 4.898 0.000) 8.413 5.344 ( 0.505 -2.583 0.000) 2.632 5.356 ( 2.884 -1.620 0.000) 3.307 8.420 ( -4.050 4.785 -0.000) 6.269 8.628 ( -1.014 -2.702 -0.000) 2.886 9.559 ( -3.388 1.501 -0.000) 3.706 9.709 ( 2.584 -0.578 0.000) 2.648 10.028 ( -0.924 -6.501 0.000) 6.567 10.060 ( 6.051 3.657 0.000) 7.070 10.824 ( -1.281 4.803 -0.000) 4.971 10.941 ( -5.033 1.126 -0.000) 5.158 10.975 ( -2.859 -2.675 -0.000) 3.915 11.185 ( 2.735 0.736 0.000) 2.832 26.663 ( 1.952 2.938 0.000) 3.527 26.727 ( 4.393 -7.625 0.000) 8.800 27.399 ( 0.359 13.457 -0.000) 13.461 27.444 ( -9.670 -1.666 -0.000) 9.812 28.016 ( -10.090 -4.615 -0.000) 11.095 28.469 ( 5.869 0.369 0.000) 5.881 29.040 ( -0.590 -1.867 0.000) 1.958 29.057 ( 0.435 0.779 0.000) 0.892 ======================= Grid point 278 (101/105) ======================= q-point: (-0.37 -0.38 0.38) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -0.000 0.000 -8.831) 8.831 0.870 ( -0.000 0.000 -8.831) 8.831 1.642 ( -0.000 0.000 -17.139) 17.139 1.731 ( 0.000 -0.000 10.841) 10.841 1.731 ( 0.000 -0.000 10.841) 10.841 2.110 ( 0.000 -0.000 5.438) 5.438 3.163 ( -0.000 0.000 -2.768) 2.768 3.163 ( -0.000 0.000 -2.768) 2.768 3.464 ( 0.000 -0.000 2.780) 2.780 3.464 ( 0.000 -0.000 2.780) 2.780 4.033 ( -0.000 0.000 -1.673) 1.673 4.033 ( -0.000 0.000 -1.673) 1.673 4.468 ( -0.000 0.000 -6.430) 6.430 4.603 ( -0.000 0.000 -1.075) 1.075 4.784 ( -0.000 0.000 -10.123) 10.123 5.186 ( 0.000 -0.000 5.349) 5.349 5.186 ( 0.000 -0.000 5.349) 5.349 5.428 ( 0.000 -0.000 18.596) 18.596 8.569 ( -0.000 0.000 -1.647) 1.647 8.569 ( -0.000 0.000 -1.647) 1.647 9.080 ( -0.000 0.000 -26.811) 26.811 9.776 ( -0.000 0.000 -11.507) 11.507 10.016 ( -0.000 0.000 -2.391) 2.391 10.104 ( 0.000 -0.000 19.135) 19.135 10.988 ( -0.000 0.000 -1.449) 1.449 10.988 ( -0.000 0.000 -1.449) 1.449 11.049 ( 0.000 -0.000 0.330) 0.330 11.097 ( 0.000 -0.000 3.789) 3.789 26.549 ( 0.000 -0.000 2.998) 2.998 26.549 ( 0.000 -0.000 2.998) 2.998 27.433 ( -0.000 0.000 -3.070) 3.070 27.433 ( -0.000 0.000 -3.070) 3.070 27.875 ( -0.000 0.000 -20.611) 20.611 28.164 ( -0.000 0.000 -5.312) 5.312 28.973 ( -0.000 0.000 -1.491) 1.491 29.169 ( 0.000 -0.000 4.280) 4.280 ======================= Grid point 291 (102/105) ======================= q-point: (-0.61 -0.39 0.39) 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -2.534 -2.210 -0.000) 3.363 1.185 ( 5.875 -7.525 0.000) 9.547 1.738 ( 2.867 -0.634 0.000) 2.936 1.827 ( 0.747 -7.292 0.000) 7.330 2.034 ( -4.761 -3.810 -0.000) 6.097 2.142 ( 1.350 -11.179 0.000) 11.261 3.255 ( -0.824 -3.470 0.000) 3.567 3.280 ( 1.686 -0.075 0.000) 1.687 3.428 ( -0.122 -0.635 0.000) 0.647 3.535 ( -1.803 -4.614 -0.000) 4.954 3.985 ( -1.282 0.553 -0.000) 1.396 4.057 ( 2.186 -0.880 0.000) 2.357 4.515 ( -2.488 2.471 -0.000) 3.506 4.651 ( 2.350 -3.609 0.000) 4.307 4.861 ( 0.485 2.663 -0.000) 2.707 5.207 ( 4.006 -6.683 0.000) 7.792 5.267 ( -4.662 -5.011 -0.000) 6.844 5.308 ( -0.861 1.219 -0.000) 1.493 8.521 ( 4.875 2.949 0.000) 5.697 8.547 ( -4.965 2.419 -0.000) 5.523 9.603 ( 2.434 2.231 0.000) 3.302 9.682 ( -1.876 -2.598 -0.000) 3.205 9.933 ( -2.636 2.075 -0.000) 3.355 10.129 ( 2.918 -7.399 0.000) 7.953 10.870 ( -4.682 4.050 -0.000) 6.190 10.909 ( 3.112 1.327 0.000) 3.383 11.014 ( 3.202 3.782 0.000) 4.955 11.175 ( -1.608 -2.943 -0.000) 3.353 26.594 ( -4.103 -3.848 -0.000) 5.625 26.724 ( 2.829 -2.000 0.000) 3.464 27.344 ( -6.817 5.830 -0.000) 8.970 27.662 ( 6.311 2.754 0.000) 6.886 27.983 ( 5.166 8.318 0.000) 9.791 28.416 ( -4.533 -6.459 -0.000) 7.891 29.024 ( 0.090 0.983 -0.000) 0.987 29.073 ( 0.741 -1.131 0.000) 1.352 ======================= Grid point 293 (103/105) ======================= q-point: ( 0.39 0.61 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 2.636 -1.908 0.000) 3.254 1.143 ( 4.034 -7.924 0.000) 8.892 1.718 ( 1.948 -4.232 0.000) 4.659 1.746 ( 5.159 -4.804 0.000) 7.049 1.956 ( 4.074 -1.190 0.000) 4.244 2.039 ( 4.428 -5.040 0.000) 6.709 3.228 ( 2.256 -0.453 0.000) 2.302 3.259 ( 1.538 -3.699 0.000) 4.006 3.446 ( -0.604 -1.765 -0.000) 1.866 3.458 ( 2.896 0.450 0.000) 2.931 4.012 ( -0.392 2.661 -0.000) 2.690 4.043 ( -1.108 -1.546 -0.000) 1.902 4.552 ( 0.444 2.932 -0.000) 2.966 4.603 ( -0.440 -2.888 0.000) 2.922 4.980 ( 4.248 4.537 0.000) 6.216 4.985 ( -6.402 -4.364 -0.000) 7.748 5.271 ( 6.132 -2.209 0.000) 6.518 5.302 ( 2.433 -3.845 0.000) 4.550 8.506 ( -4.010 3.288 -0.000) 5.186 8.619 ( 1.602 -0.817 0.000) 1.799 9.613 ( -1.946 0.095 -0.000) 1.948 9.663 ( 1.960 -0.396 0.000) 2.000 9.975 ( 2.217 2.338 0.000) 3.222 10.032 ( 0.396 -5.215 0.000) 5.230 10.873 ( -3.321 4.500 -0.000) 5.593 10.988 ( 0.212 2.553 -0.000) 2.561 11.047 ( -3.713 -3.951 -0.000) 5.422 11.123 ( 3.206 0.508 0.000) 3.246 26.590 ( 5.099 1.895 0.000) 5.440 26.665 ( 1.942 -7.587 0.000) 7.832 27.359 ( 0.796 9.035 -0.000) 9.070 27.618 ( -5.571 -5.099 -0.000) 7.552 28.183 ( -5.879 -5.281 -0.000) 7.903 28.282 ( 11.283 0.210 0.000) 11.285 29.048 ( 0.448 0.513 0.000) 0.681 29.049 ( -0.280 -1.246 0.000) 1.277 ======================= Grid point 336 (104/105) ======================= q-point: (-0.56 -0.44 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 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -3.302 -3.093 -0.000) 4.524 1.042 ( 4.434 -5.728 0.000) 7.244 1.675 ( -0.479 -6.567 0.000) 6.584 1.677 ( 0.713 -5.455 0.000) 5.501 1.966 ( -2.677 -2.467 -0.000) 3.640 1.968 ( 2.236 -4.078 0.000) 4.651 3.206 ( -0.783 -1.351 -0.000) 1.562 3.235 ( 0.848 -3.219 0.000) 3.328 3.428 ( 0.167 0.313 0.000) 0.354 3.459 ( -0.404 -2.596 0.000) 2.627 4.022 ( -0.630 2.358 -0.000) 2.440 4.051 ( 0.706 -0.006 0.000) 0.706 4.562 ( -1.241 1.764 -0.000) 2.157 4.596 ( 1.223 -1.581 0.000) 1.998 4.936 ( -0.170 5.063 -0.000) 5.066 5.095 ( 4.108 -3.813 0.000) 5.605 5.173 ( -5.161 -3.923 -0.000) 6.483 5.261 ( 1.115 -5.688 0.000) 5.796 8.571 ( 2.913 1.638 0.000) 3.342 8.579 ( -2.932 0.849 -0.000) 3.052 9.629 ( 1.307 0.534 0.000) 1.412 9.645 ( -1.242 -1.134 -0.000) 1.682 9.966 ( -1.321 1.108 -0.000) 1.724 10.013 ( 1.416 -3.635 0.000) 3.901 10.953 ( 2.963 2.792 0.000) 4.072 10.954 ( -4.253 3.745 -0.000) 5.667 11.055 ( 3.244 0.412 0.000) 3.270 11.107 ( -1.950 -3.532 -0.000) 4.035 26.536 ( -2.365 -1.851 -0.000) 3.004 26.631 ( 1.727 -7.152 0.000) 7.358 27.443 ( -8.581 3.006 -0.000) 9.092 27.582 ( 9.654 -8.465 0.000) 12.839 28.122 ( 1.378 5.004 -0.000) 5.190 28.261 ( -2.070 -7.289 0.000) 7.577 29.040 ( 0.173 0.596 -0.000) 0.621 29.052 ( -0.017 -0.648 0.000) 0.649 ======================= Grid point 382 (105/105) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.71e-05 2.71e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.000 0.000 -0.007) 0.007 0.977 ( -0.000 0.000 -0.007) 0.007 1.599 ( -0.000 0.000 -0.003) 0.003 1.599 ( -0.000 0.000 -0.003) 0.003 1.939 ( -0.000 0.000 -10.557) 10.557 1.939 ( 0.000 -0.000 10.556) 10.556 3.193 ( -0.000 0.000 -0.000) 0.000 3.193 ( -0.000 0.000 -0.000) 0.000 3.432 ( 0.000 -0.000 0.000) 0.000 3.432 ( 0.000 -0.000 0.000) 0.000 4.051 ( -0.000 0.000 -0.000) 0.000 4.051 ( -0.000 0.000 -0.000) 0.000 4.581 ( -0.000 0.000 -3.375) 3.375 4.581 ( 0.000 -0.000 3.374) 3.374 5.057 ( -0.000 0.000 -15.142) 15.142 5.057 ( 0.000 -0.000 15.142) 15.142 5.126 ( -0.000 0.000 -0.000) 0.000 5.126 ( -0.000 0.000 -0.000) 0.000 8.587 ( -0.000 0.000 -0.000) 0.000 8.587 ( -0.000 0.000 -0.000) 0.000 9.633 ( -0.000 0.000 -23.797) 23.797 9.633 ( 0.000 -0.000 23.797) 23.797 9.978 ( -0.000 0.000 -5.930) 5.930 9.978 ( 0.000 -0.000 5.930) 5.930 11.004 ( -0.000 0.000 -0.000) 0.000 11.004 ( -0.000 0.000 -0.000) 0.000 11.048 ( -0.000 0.000 -0.744) 0.744 11.048 ( 0.000 -0.000 0.744) 0.744 26.516 ( -0.000 0.000 -0.000) 0.000 26.516 ( -0.000 0.000 -0.000) 0.000 27.467 ( -0.000 0.000 -0.001) 0.001 27.467 ( -0.000 0.000 -0.001) 0.001 28.176 ( -0.000 0.000 -5.983) 5.983 28.176 ( 0.000 -0.000 5.983) 5.983 29.047 ( -0.000 0.000 -5.537) 5.537 29.047 ( 0.000 -0.000 5.534) 5.534 =================== 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 3/23328 10.0 73.206 73.206 79.189 -0.000 0.000 0.000 3/23328 20.0 23.134 23.134 21.612 -0.000 0.000 0.000 3/23328 30.0 10.831 10.831 9.486 -0.000 0.000 0.000 3/23328 40.0 6.255 6.255 5.219 -0.000 0.000 0.000 3/23328 50.0 4.231 4.231 3.414 -0.000 0.000 0.000 3/23328 60.0 3.178 3.178 2.515 -0.000 0.000 0.000 3/23328 70.0 2.556 2.556 2.005 -0.000 0.000 0.000 3/23328 80.0 2.152 2.152 1.685 -0.000 0.000 0.000 3/23328 90.0 1.872 1.872 1.468 -0.000 0.000 0.000 3/23328 100.0 1.665 1.665 1.311 -0.000 0.000 0.000 3/23328 110.0 1.507 1.507 1.192 -0.000 0.000 0.000 3/23328 120.0 1.382 1.382 1.098 -0.000 0.000 0.000 3/23328 130.0 1.280 1.280 1.021 -0.000 0.000 0.000 3/23328 140.0 1.195 1.195 0.957 -0.000 0.000 0.000 3/23328 150.0 1.124 1.124 0.902 -0.000 0.000 0.000 3/23328 160.0 1.062 1.062 0.855 -0.000 0.000 0.000 3/23328 170.0 1.009 1.009 0.813 -0.000 0.000 0.000 3/23328 180.0 0.963 0.963 0.776 -0.000 0.000 0.000 3/23328 190.0 0.923 0.923 0.743 -0.000 0.000 0.000 3/23328 200.0 0.887 0.887 0.713 -0.000 0.000 0.000 3/23328 210.0 0.856 0.856 0.687 -0.000 0.000 0.000 3/23328 220.0 0.828 0.828 0.663 -0.000 0.000 0.000 3/23328 230.0 0.802 0.802 0.640 -0.000 0.000 0.000 3/23328 240.0 0.779 0.779 0.620 -0.000 0.000 0.000 3/23328 250.0 0.759 0.759 0.602 -0.000 0.000 0.000 3/23328 260.0 0.740 0.740 0.584 -0.000 0.000 0.000 3/23328 270.0 0.722 0.722 0.568 -0.000 0.000 0.000 3/23328 280.0 0.706 0.706 0.553 -0.000 0.000 0.000 3/23328 290.0 0.691 0.691 0.539 -0.000 0.000 0.000 3/23328 300.0 0.677 0.677 0.526 -0.000 0.000 0.000 3/23328 310.0 0.664 0.664 0.514 -0.000 0.000 0.000 3/23328 320.0 0.651 0.651 0.502 -0.000 0.000 0.000 3/23328 330.0 0.639 0.639 0.491 -0.000 0.000 0.000 3/23328 340.0 0.628 0.628 0.481 -0.000 0.000 0.000 3/23328 350.0 0.618 0.618 0.471 -0.000 0.000 0.000 3/23328 360.0 0.607 0.607 0.461 -0.000 0.000 0.000 3/23328 370.0 0.597 0.597 0.452 -0.000 0.000 0.000 3/23328 380.0 0.588 0.588 0.444 -0.000 0.000 0.000 3/23328 390.0 0.579 0.579 0.435 -0.000 0.000 0.000 3/23328 400.0 0.570 0.570 0.427 -0.000 0.000 0.000 3/23328 410.0 0.562 0.562 0.419 -0.000 0.000 0.000 3/23328 420.0 0.553 0.553 0.412 -0.000 0.000 0.000 3/23328 430.0 0.545 0.545 0.405 -0.000 0.000 0.000 3/23328 440.0 0.538 0.538 0.398 -0.000 0.000 0.000 3/23328 450.0 0.530 0.530 0.391 -0.000 0.000 0.000 3/23328 460.0 0.523 0.523 0.385 -0.000 0.000 0.000 3/23328 470.0 0.515 0.515 0.379 -0.000 0.000 0.000 3/23328 480.0 0.508 0.508 0.373 -0.000 0.000 0.000 3/23328 490.0 0.502 0.502 0.367 -0.000 0.000 0.000 3/23328 500.0 0.495 0.495 0.361 -0.000 0.000 0.000 3/23328 510.0 0.488 0.488 0.356 -0.000 0.000 0.000 3/23328 520.0 0.482 0.482 0.350 -0.000 0.000 0.000 3/23328 530.0 0.476 0.476 0.345 -0.000 0.000 0.000 3/23328 540.0 0.470 0.470 0.340 -0.000 0.000 0.000 3/23328 550.0 0.464 0.464 0.335 -0.000 0.000 0.000 3/23328 560.0 0.458 0.458 0.330 -0.000 0.000 0.000 3/23328 570.0 0.452 0.452 0.326 -0.000 0.000 0.000 3/23328 580.0 0.447 0.447 0.321 -0.000 0.000 0.000 3/23328 590.0 0.441 0.441 0.317 -0.000 0.000 0.000 3/23328 600.0 0.436 0.436 0.313 -0.000 0.000 0.000 3/23328 610.0 0.431 0.431 0.308 -0.000 0.000 0.000 3/23328 620.0 0.426 0.426 0.304 -0.000 0.000 0.000 3/23328 630.0 0.421 0.421 0.300 -0.000 0.000 0.000 3/23328 640.0 0.416 0.416 0.297 -0.000 0.000 0.000 3/23328 650.0 0.411 0.411 0.293 -0.000 0.000 0.000 3/23328 660.0 0.406 0.406 0.289 -0.000 0.000 0.000 3/23328 670.0 0.402 0.402 0.286 -0.000 0.000 0.000 3/23328 680.0 0.397 0.397 0.282 -0.000 0.000 0.000 3/23328 690.0 0.393 0.393 0.279 -0.000 0.000 0.000 3/23328 700.0 0.389 0.389 0.275 -0.000 0.000 0.000 3/23328 710.0 0.384 0.384 0.272 -0.000 0.000 0.000 3/23328 720.0 0.380 0.380 0.269 -0.000 0.000 0.000 3/23328 730.0 0.376 0.376 0.266 -0.000 0.000 0.000 3/23328 740.0 0.372 0.372 0.263 -0.000 0.000 0.000 3/23328 750.0 0.368 0.368 0.260 -0.000 0.000 0.000 3/23328 760.0 0.364 0.364 0.257 -0.000 0.000 0.000 3/23328 770.0 0.361 0.361 0.254 -0.000 0.000 0.000 3/23328 780.0 0.357 0.357 0.251 -0.000 0.000 0.000 3/23328 790.0 0.353 0.353 0.248 -0.000 0.000 0.000 3/23328 800.0 0.350 0.350 0.246 -0.000 0.000 0.000 3/23328 810.0 0.346 0.346 0.243 -0.000 0.000 0.000 3/23328 820.0 0.343 0.343 0.240 -0.000 0.000 0.000 3/23328 830.0 0.339 0.339 0.238 -0.000 0.000 0.000 3/23328 840.0 0.336 0.336 0.235 -0.000 0.000 0.000 3/23328 850.0 0.333 0.333 0.233 -0.000 0.000 0.000 3/23328 860.0 0.329 0.329 0.231 -0.000 0.000 0.000 3/23328 870.0 0.326 0.326 0.228 -0.000 0.000 0.000 3/23328 880.0 0.323 0.323 0.226 -0.000 0.000 0.000 3/23328 890.0 0.320 0.320 0.224 -0.000 0.000 0.000 3/23328 900.0 0.317 0.317 0.221 -0.000 0.000 0.000 3/23328 910.0 0.314 0.314 0.219 -0.000 0.000 0.000 3/23328 920.0 0.311 0.311 0.217 -0.000 0.000 0.000 3/23328 930.0 0.309 0.309 0.215 -0.000 0.000 0.000 3/23328 940.0 0.306 0.306 0.213 -0.000 0.000 0.000 3/23328 950.0 0.303 0.303 0.211 -0.000 0.000 0.000 3/23328 960.0 0.300 0.300 0.209 -0.000 0.000 0.000 3/23328 970.0 0.298 0.298 0.207 -0.000 0.000 0.000 3/23328 980.0 0.295 0.295 0.205 -0.000 0.000 0.000 3/23328 990.0 0.293 0.293 0.203 -0.000 0.000 0.000 3/23328 1000.0 0.290 0.290 0.201 -0.000 0.000 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m1972.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:56:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|