----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:22:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.993189330000000 -5.583393109999999 0.000000000000000 b 2.993189330000000 5.583393109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.608360869999999 Atomic positions (fractional): *1 Cs 0.73317628404342 0.26682371595658 0.75000000000000 132.905 2 Cs 0.26682371595658 0.73317628404342 0.25000000000000 132.905 *3 Na 0.57417471180685 0.42582528819315 0.25000000000000 22.990 4 Na 0.42582528819315 0.57417471180685 0.75000000000000 22.990 *5 Ti 0.95123642618703 0.04876357381297 0.25000000000000 47.867 6 Ti 0.04876357381297 0.95123642618703 0.75000000000000 47.867 *7 O 0.79374958848124 0.20625041151876 0.25000000000000 15.999 *8 O 0.21203643430646 0.21203643430646 0.00000000000000 15.999 9 O 0.78796356569354 0.78796356569354 0.50000000000000 15.999 10 O 0.21203643430646 0.21203643430646 0.50000000000000 15.999 11 O 0.78796356569354 0.78796356569354 0.00000000000000 15.999 12 O 0.20625041151876 0.79374958848124 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.986378660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166786219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.608360869999999 Atomic positions (fractional): *1 Cs 0.00000000000000 0.26682371595658 0.75000000000000 132.905 > 1 2 Cs 0.50000000000000 0.23317628404342 0.25000000000000 132.905 > 2 3 Cs 0.50000000000000 0.76682371595659 0.75000000000000 132.905 > 1 4 Cs 0.00000000000000 0.73317628404341 0.25000000000000 132.905 > 2 *5 Na 0.00000000000000 0.42582528819315 0.25000000000000 22.990 > 3 6 Na 0.50000000000000 0.07417471180685 0.75000000000000 22.990 > 4 7 Na 0.50000000000000 0.92582528819315 0.25000000000000 22.990 > 3 8 Na 0.00000000000000 0.57417471180685 0.75000000000000 22.990 > 4 *9 Ti 0.00000000000000 0.04876357381297 0.25000000000000 47.867 > 5 10 Ti 0.50000000000000 0.45123642618703 0.75000000000000 47.867 > 6 11 Ti 0.50000000000000 0.54876357381297 0.25000000000000 47.867 > 5 12 Ti 0.00000000000000 0.95123642618703 0.75000000000000 47.867 > 6 *13 O 0.00000000000000 0.20625041151876 0.25000000000000 15.999 > 7 *14 O 0.21203643430646 0.00000000000000 0.00000000000000 15.999 > 8 15 O 0.78796356569354 0.00000000000000 0.50000000000000 15.999 > 9 16 O 0.21203643430646 0.00000000000000 0.50000000000000 15.999 > 10 17 O 0.78796356569354 0.00000000000000 0.00000000000000 15.999 > 11 18 O 0.50000000000000 0.29374958848124 0.75000000000000 15.999 > 12 19 O 0.50000000000000 0.70625041151876 0.25000000000000 15.999 > 7 20 O 0.71203643430646 0.50000000000000 0.00000000000000 15.999 > 8 21 O 0.28796356569354 0.50000000000000 0.50000000000000 15.999 > 9 22 O 0.71203643430646 0.50000000000000 0.50000000000000 15.999 > 10 23 O 0.28796356569354 0.50000000000000 0.00000000000000 15.999 > 11 24 O 0.00000000000000 0.79374958848124 0.75000000000000 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.972757319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166786219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.216721739999999 Atomic positions (fractional): *1 Cs 0.00000000000000 0.26682371595658 0.37500000000000 132.905 > 1 2 Cs 0.50000000000000 0.26682371595658 0.37500000000000 132.905 > 1 3 Cs 0.00000000000000 0.26682371595658 0.87500000000000 132.905 > 1 4 Cs 0.50000000000000 0.26682371595658 0.87500000000000 132.905 > 1 5 Cs 0.25000000000000 0.23317628404342 0.12500000000000 132.905 > 2 6 Cs 0.75000000000000 0.23317628404342 0.12500000000000 132.905 > 2 7 Cs 0.25000000000000 0.23317628404342 0.62500000000000 132.905 > 2 8 Cs 0.75000000000000 0.23317628404342 0.62500000000000 132.905 > 2 9 Cs 0.25000000000000 0.76682371595659 0.37500000000000 132.905 > 1 10 Cs 0.75000000000000 0.76682371595659 0.37500000000000 132.905 > 1 11 Cs 0.25000000000000 0.76682371595659 0.87500000000000 132.905 > 1 12 Cs 0.75000000000000 0.76682371595659 0.87500000000000 132.905 > 1 13 Cs 0.00000000000000 0.73317628404341 0.12500000000000 132.905 > 2 14 Cs 0.50000000000000 0.73317628404341 0.12500000000000 132.905 > 2 15 Cs 0.00000000000000 0.73317628404341 0.62500000000000 132.905 > 2 16 Cs 0.50000000000000 0.73317628404341 0.62500000000000 132.905 > 2 *17 Na 0.00000000000000 0.42582528819315 0.12500000000000 22.990 > 3 18 Na 0.50000000000000 0.42582528819315 0.12500000000000 22.990 > 3 19 Na 0.00000000000000 0.42582528819315 0.62500000000000 22.990 > 3 20 Na 0.50000000000000 0.42582528819315 0.62500000000000 22.990 > 3 21 Na 0.25000000000000 0.07417471180685 0.37500000000000 22.990 > 4 22 Na 0.75000000000000 0.07417471180685 0.37500000000000 22.990 > 4 23 Na 0.25000000000000 0.07417471180685 0.87500000000000 22.990 > 4 24 Na 0.75000000000000 0.07417471180685 0.87500000000000 22.990 > 4 25 Na 0.25000000000000 0.92582528819315 0.12500000000000 22.990 > 3 26 Na 0.75000000000000 0.92582528819315 0.12500000000000 22.990 > 3 27 Na 0.25000000000000 0.92582528819315 0.62500000000000 22.990 > 3 28 Na 0.75000000000000 0.92582528819315 0.62500000000000 22.990 > 3 29 Na 0.00000000000000 0.57417471180685 0.37500000000000 22.990 > 4 30 Na 0.50000000000000 0.57417471180685 0.37500000000000 22.990 > 4 31 Na 0.00000000000000 0.57417471180685 0.87500000000000 22.990 > 4 32 Na 0.50000000000000 0.57417471180685 0.87500000000000 22.990 > 4 *33 Ti 0.00000000000000 0.04876357381297 0.12500000000000 47.867 > 5 34 Ti 0.50000000000000 0.04876357381297 0.12500000000000 47.867 > 5 35 Ti 0.00000000000000 0.04876357381297 0.62500000000000 47.867 > 5 36 Ti 0.50000000000000 0.04876357381297 0.62500000000000 47.867 > 5 37 Ti 0.25000000000000 0.45123642618703 0.37500000000000 47.867 > 6 38 Ti 0.75000000000000 0.45123642618703 0.37500000000000 47.867 > 6 39 Ti 0.25000000000000 0.45123642618703 0.87500000000000 47.867 > 6 40 Ti 0.75000000000000 0.45123642618703 0.87500000000000 47.867 > 6 41 Ti 0.25000000000000 0.54876357381297 0.12500000000000 47.867 > 5 42 Ti 0.75000000000000 0.54876357381297 0.12500000000000 47.867 > 5 43 Ti 0.25000000000000 0.54876357381297 0.62500000000000 47.867 > 5 44 Ti 0.75000000000000 0.54876357381297 0.62500000000000 47.867 > 5 45 Ti 0.00000000000000 0.95123642618703 0.37500000000000 47.867 > 6 46 Ti 0.50000000000000 0.95123642618703 0.37500000000000 47.867 > 6 47 Ti 0.00000000000000 0.95123642618703 0.87500000000000 47.867 > 6 48 Ti 0.50000000000000 0.95123642618703 0.87500000000000 47.867 > 6 *49 O 0.00000000000000 0.20625041151876 0.12500000000000 15.999 > 7 50 O 0.50000000000000 0.20625041151876 0.12500000000000 15.999 > 7 51 O 0.00000000000000 0.20625041151876 0.62500000000000 15.999 > 7 52 O 0.50000000000000 0.20625041151876 0.62500000000000 15.999 > 7 *53 O 0.10601821715323 0.00000000000000 0.00000000000000 15.999 > 8 54 O 0.60601821715323 0.00000000000000 0.00000000000000 15.999 > 8 55 O 0.10601821715323 0.00000000000000 0.50000000000000 15.999 > 8 56 O 0.60601821715323 0.00000000000000 0.50000000000000 15.999 > 8 57 O 0.39398178284677 0.00000000000000 0.25000000000000 15.999 > 9 58 O 0.89398178284677 0.00000000000000 0.25000000000000 15.999 > 9 59 O 0.39398178284677 0.00000000000000 0.75000000000000 15.999 > 9 60 O 0.89398178284677 0.00000000000000 0.75000000000000 15.999 > 9 61 O 0.10601821715323 0.00000000000000 0.25000000000000 15.999 > 10 62 O 0.60601821715323 0.00000000000000 0.25000000000000 15.999 > 10 63 O 0.10601821715323 0.00000000000000 0.75000000000000 15.999 > 10 64 O 0.60601821715323 0.00000000000000 0.75000000000000 15.999 > 10 65 O 0.39398178284677 0.00000000000000 0.00000000000000 15.999 > 11 66 O 0.89398178284677 0.00000000000000 0.00000000000000 15.999 > 11 67 O 0.39398178284677 0.00000000000000 0.50000000000000 15.999 > 11 68 O 0.89398178284677 0.00000000000000 0.50000000000000 15.999 > 11 69 O 0.25000000000000 0.29374958848124 0.37500000000000 15.999 > 12 70 O 0.75000000000000 0.29374958848124 0.37500000000000 15.999 > 12 71 O 0.25000000000000 0.29374958848124 0.87500000000000 15.999 > 12 72 O 0.75000000000000 0.29374958848124 0.87500000000000 15.999 > 12 73 O 0.25000000000000 0.70625041151876 0.12500000000000 15.999 > 7 74 O 0.75000000000000 0.70625041151876 0.12500000000000 15.999 > 7 75 O 0.25000000000000 0.70625041151876 0.62500000000000 15.999 > 7 76 O 0.75000000000000 0.70625041151876 0.62500000000000 15.999 > 7 77 O 0.35601821715323 0.50000000000000 0.00000000000000 15.999 > 8 78 O 0.85601821715323 0.50000000000000 0.00000000000000 15.999 > 8 79 O 0.35601821715323 0.50000000000000 0.50000000000000 15.999 > 8 80 O 0.85601821715323 0.50000000000000 0.50000000000000 15.999 > 8 81 O 0.14398178284677 0.50000000000000 0.25000000000000 15.999 > 9 82 O 0.64398178284677 0.50000000000000 0.25000000000000 15.999 > 9 83 O 0.14398178284677 0.50000000000000 0.75000000000000 15.999 > 9 84 O 0.64398178284677 0.50000000000000 0.75000000000000 15.999 > 9 85 O 0.35601821715323 0.50000000000000 0.25000000000000 15.999 > 10 86 O 0.85601821715323 0.50000000000000 0.25000000000000 15.999 > 10 87 O 0.35601821715323 0.50000000000000 0.75000000000000 15.999 > 10 88 O 0.85601821715323 0.50000000000000 0.75000000000000 15.999 > 10 89 O 0.14398178284677 0.50000000000000 0.00000000000000 15.999 > 11 90 O 0.64398178284677 0.50000000000000 0.00000000000000 15.999 > 11 91 O 0.14398178284677 0.50000000000000 0.50000000000000 15.999 > 11 92 O 0.64398178284677 0.50000000000000 0.50000000000000 15.999 > 11 93 O 0.00000000000000 0.79374958848124 0.37500000000000 15.999 > 12 94 O 0.50000000000000 0.79374958848124 0.37500000000000 15.999 > 12 95 O 0.00000000000000 0.79374958848124 0.87500000000000 15.999 > 12 96 O 0.50000000000000 0.79374958848124 0.87500000000000 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2795501 0.0000000 0.0000000 0.0000000 3.5941740 0.0000000 0.0000000 0.0000000 4.2098964 -------------------------- Born effective charges -------------------------- 1 Cs 1.4624609 0.0000000 0.0000000 0.0000000 1.2092466 0.0000000 0.0000000 0.0000000 1.4886489 2 Cs 1.4624609 0.0000000 0.0000000 0.0000000 1.2092466 0.0000000 0.0000000 0.0000000 1.4886489 3 Na 1.3815528 0.0000000 0.0000000 0.0000000 1.2330885 0.0000000 0.0000000 0.0000000 1.0562122 4 Na 1.3815528 0.0000000 0.0000000 0.0000000 1.2330885 0.0000000 0.0000000 0.0000000 1.0562122 5 Ti 2.4475838 0.0000000 0.0000000 0.0000000 3.0479901 0.0000000 0.0000000 0.0000000 5.5688326 6 Ti 2.4475838 0.0000000 0.0000000 0.0000000 3.0479901 0.0000000 0.0000000 0.0000000 5.5688326 7 O -1.3553714 0.0000000 0.0000000 0.0000000 -2.9173266 0.0000000 0.0000000 0.0000000 -1.5538154 8 O -1.9681130 0.0000000 0.0000000 0.0000000 -1.2864993 -0.5069726 0.0000000 -0.8689294 -3.2799391 9 O -1.9681130 0.0000000 0.0000000 0.0000000 -1.2864993 0.5069726 0.0000000 0.8689294 -3.2799391 10 O -1.9681130 0.0000000 0.0000000 0.0000000 -1.2864993 0.5069726 0.0000000 0.8689294 -3.2799391 11 O -1.9681130 0.0000000 0.0000000 0.0000000 -1.2864993 -0.5069726 0.0000000 -0.8689294 -3.2799391 12 O -1.3553714 0.0000000 0.0000000 0.0000000 -2.9173266 0.0000000 0.0000000 0.0000000 -1.5538154 ---------------------------------------------------------------------------- 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: 6192/6192 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 773 Number of blocks in projector: 773 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 143 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 143 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 143 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 88 Use standard eigh solver. Tree of FC basis block matrices: - (773, 756), data: False |-- (88, 88), data: True |-- (120, 120), data: True |-- (136, 134), data: True |-- (143, 138), data: True |-- (143, 138), data: True |-- (143, 138), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 0.264 Solver_block: 200 / 240 - Time: 0.260 Solver_block: 240 / 240 - Time: 0.144 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.693 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6192/6192 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 773 Number of blocks in projector: 773 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 143 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 143 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 143 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 88 Use standard eigh solver. Tree of FC basis block matrices: - (773, 756), data: False |-- (88, 88), data: True |-- (120, 120), data: True |-- (136, 134), data: True |-- (143, 138), data: True |-- (143, 138), data: True |-- (143, 138), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:22:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:22:29]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.993189330000000 -5.583393109999999 0.000000000000000 b 2.993189330000000 5.583393109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.608360869999999 Atomic positions (fractional): 1 Cs 0.73317628404342 0.26682371595658 0.75000000000000 132.905 2 Cs 0.26682371595658 0.73317628404342 0.25000000000000 132.905 3 Na 0.57417471180685 0.42582528819315 0.25000000000000 22.990 4 Na 0.42582528819315 0.57417471180685 0.75000000000000 22.990 5 Ti 0.95123642618703 0.04876357381297 0.25000000000000 47.867 6 Ti 0.04876357381297 0.95123642618703 0.75000000000000 47.867 7 O 0.79374958848124 0.20625041151876 0.25000000000000 15.999 8 O 0.21203643430646 0.21203643430646 0.00000000000000 15.999 9 O 0.78796356569354 0.78796356569354 0.50000000000000 15.999 10 O 0.21203643430646 0.21203643430646 0.50000000000000 15.999 11 O 0.78796356569354 0.78796356569354 0.00000000000000 15.999 12 O 0.20625041151876 0.79374958848124 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.972757319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166786219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.216721739999999 Atomic positions (fractional): 1 Cs 0.00000000000000 0.26682371595658 0.37500000000000 132.905 > 1 2 Cs 0.50000000000000 0.26682371595658 0.37500000000000 132.905 > 1 3 Cs 0.00000000000000 0.26682371595658 0.87500000000000 132.905 > 1 4 Cs 0.50000000000000 0.26682371595658 0.87500000000000 132.905 > 1 5 Cs 0.25000000000000 0.23317628404342 0.12500000000000 132.905 > 5 6 Cs 0.75000000000000 0.23317628404342 0.12500000000000 132.905 > 5 7 Cs 0.25000000000000 0.23317628404342 0.62500000000000 132.905 > 5 8 Cs 0.75000000000000 0.23317628404342 0.62500000000000 132.905 > 5 9 Cs 0.25000000000000 0.76682371595659 0.37500000000000 132.905 > 1 10 Cs 0.75000000000000 0.76682371595659 0.37500000000000 132.905 > 1 11 Cs 0.25000000000000 0.76682371595659 0.87500000000000 132.905 > 1 12 Cs 0.75000000000000 0.76682371595659 0.87500000000000 132.905 > 1 13 Cs 0.00000000000000 0.73317628404341 0.12500000000000 132.905 > 5 14 Cs 0.50000000000000 0.73317628404341 0.12500000000000 132.905 > 5 15 Cs 0.00000000000000 0.73317628404341 0.62500000000000 132.905 > 5 16 Cs 0.50000000000000 0.73317628404341 0.62500000000000 132.905 > 5 17 Na 0.00000000000000 0.42582528819315 0.12500000000000 22.990 > 17 18 Na 0.50000000000000 0.42582528819315 0.12500000000000 22.990 > 17 19 Na 0.00000000000000 0.42582528819315 0.62500000000000 22.990 > 17 20 Na 0.50000000000000 0.42582528819315 0.62500000000000 22.990 > 17 21 Na 0.25000000000000 0.07417471180685 0.37500000000000 22.990 > 21 22 Na 0.75000000000000 0.07417471180685 0.37500000000000 22.990 > 21 23 Na 0.25000000000000 0.07417471180685 0.87500000000000 22.990 > 21 24 Na 0.75000000000000 0.07417471180685 0.87500000000000 22.990 > 21 25 Na 0.25000000000000 0.92582528819315 0.12500000000000 22.990 > 17 26 Na 0.75000000000000 0.92582528819315 0.12500000000000 22.990 > 17 27 Na 0.25000000000000 0.92582528819315 0.62500000000000 22.990 > 17 28 Na 0.75000000000000 0.92582528819315 0.62500000000000 22.990 > 17 29 Na 0.00000000000000 0.57417471180685 0.37500000000000 22.990 > 21 30 Na 0.50000000000000 0.57417471180685 0.37500000000000 22.990 > 21 31 Na 0.00000000000000 0.57417471180685 0.87500000000000 22.990 > 21 32 Na 0.50000000000000 0.57417471180685 0.87500000000000 22.990 > 21 33 Ti 0.00000000000000 0.04876357381297 0.12500000000000 47.867 > 33 34 Ti 0.50000000000000 0.04876357381297 0.12500000000000 47.867 > 33 35 Ti 0.00000000000000 0.04876357381297 0.62500000000000 47.867 > 33 36 Ti 0.50000000000000 0.04876357381297 0.62500000000000 47.867 > 33 37 Ti 0.25000000000000 0.45123642618703 0.37500000000000 47.867 > 37 38 Ti 0.75000000000000 0.45123642618703 0.37500000000000 47.867 > 37 39 Ti 0.25000000000000 0.45123642618703 0.87500000000000 47.867 > 37 40 Ti 0.75000000000000 0.45123642618703 0.87500000000000 47.867 > 37 41 Ti 0.25000000000000 0.54876357381297 0.12500000000000 47.867 > 33 42 Ti 0.75000000000000 0.54876357381297 0.12500000000000 47.867 > 33 43 Ti 0.25000000000000 0.54876357381297 0.62500000000000 47.867 > 33 44 Ti 0.75000000000000 0.54876357381297 0.62500000000000 47.867 > 33 45 Ti 0.00000000000000 0.95123642618703 0.37500000000000 47.867 > 37 46 Ti 0.50000000000000 0.95123642618703 0.37500000000000 47.867 > 37 47 Ti 0.00000000000000 0.95123642618703 0.87500000000000 47.867 > 37 48 Ti 0.50000000000000 0.95123642618703 0.87500000000000 47.867 > 37 49 O 0.00000000000000 0.20625041151876 0.12500000000000 15.999 > 49 50 O 0.50000000000000 0.20625041151876 0.12500000000000 15.999 > 49 51 O 0.00000000000000 0.20625041151876 0.62500000000000 15.999 > 49 52 O 0.50000000000000 0.20625041151876 0.62500000000000 15.999 > 49 53 O 0.10601821715323 0.00000000000000 0.00000000000000 15.999 > 53 54 O 0.60601821715323 0.00000000000000 0.00000000000000 15.999 > 53 55 O 0.10601821715323 0.00000000000000 0.50000000000000 15.999 > 53 56 O 0.60601821715323 0.00000000000000 0.50000000000000 15.999 > 53 57 O 0.39398178284677 0.00000000000000 0.25000000000000 15.999 > 57 58 O 0.89398178284677 0.00000000000000 0.25000000000000 15.999 > 57 59 O 0.39398178284677 0.00000000000000 0.75000000000000 15.999 > 57 60 O 0.89398178284677 0.00000000000000 0.75000000000000 15.999 > 57 61 O 0.10601821715323 0.00000000000000 0.25000000000000 15.999 > 61 62 O 0.60601821715323 0.00000000000000 0.25000000000000 15.999 > 61 63 O 0.10601821715323 0.00000000000000 0.75000000000000 15.999 > 61 64 O 0.60601821715323 0.00000000000000 0.75000000000000 15.999 > 61 65 O 0.39398178284677 0.00000000000000 0.00000000000000 15.999 > 65 66 O 0.89398178284677 0.00000000000000 0.00000000000000 15.999 > 65 67 O 0.39398178284677 0.00000000000000 0.50000000000000 15.999 > 65 68 O 0.89398178284677 0.00000000000000 0.50000000000000 15.999 > 65 69 O 0.25000000000000 0.29374958848124 0.37500000000000 15.999 > 69 70 O 0.75000000000000 0.29374958848124 0.37500000000000 15.999 > 69 71 O 0.25000000000000 0.29374958848124 0.87500000000000 15.999 > 69 72 O 0.75000000000000 0.29374958848124 0.87500000000000 15.999 > 69 73 O 0.25000000000000 0.70625041151876 0.12500000000000 15.999 > 49 74 O 0.75000000000000 0.70625041151876 0.12500000000000 15.999 > 49 75 O 0.25000000000000 0.70625041151876 0.62500000000000 15.999 > 49 76 O 0.75000000000000 0.70625041151876 0.62500000000000 15.999 > 49 77 O 0.35601821715323 0.50000000000000 0.00000000000000 15.999 > 53 78 O 0.85601821715323 0.50000000000000 0.00000000000000 15.999 > 53 79 O 0.35601821715323 0.50000000000000 0.50000000000000 15.999 > 53 80 O 0.85601821715323 0.50000000000000 0.50000000000000 15.999 > 53 81 O 0.14398178284677 0.50000000000000 0.25000000000000 15.999 > 57 82 O 0.64398178284677 0.50000000000000 0.25000000000000 15.999 > 57 83 O 0.14398178284677 0.50000000000000 0.75000000000000 15.999 > 57 84 O 0.64398178284677 0.50000000000000 0.75000000000000 15.999 > 57 85 O 0.35601821715323 0.50000000000000 0.25000000000000 15.999 > 61 86 O 0.85601821715323 0.50000000000000 0.25000000000000 15.999 > 61 87 O 0.35601821715323 0.50000000000000 0.75000000000000 15.999 > 61 88 O 0.85601821715323 0.50000000000000 0.75000000000000 15.999 > 61 89 O 0.14398178284677 0.50000000000000 0.00000000000000 15.999 > 65 90 O 0.64398178284677 0.50000000000000 0.00000000000000 15.999 > 65 91 O 0.14398178284677 0.50000000000000 0.50000000000000 15.999 > 65 92 O 0.64398178284677 0.50000000000000 0.50000000000000 15.999 > 65 93 O 0.00000000000000 0.79374958848124 0.37500000000000 15.999 > 69 94 O 0.50000000000000 0.79374958848124 0.37500000000000 15.999 > 69 95 O 0.00000000000000 0.79374958848124 0.87500000000000 15.999 > 69 96 O 0.50000000000000 0.79374958848124 0.87500000000000 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2795501 0.0000000 0.0000000 0.0000000 3.5941740 0.0000000 0.0000000 0.0000000 4.2098964 -------------------------- Born effective charges -------------------------- 1 Cs 1.4624609 0.0000000 0.0000000 0.0000000 1.2092466 0.0000000 0.0000000 0.0000000 1.4886489 2 Cs 1.4624609 0.0000000 0.0000000 0.0000000 1.2092466 0.0000000 0.0000000 0.0000000 1.4886489 3 Na 1.3815528 0.0000000 0.0000000 0.0000000 1.2330885 0.0000000 0.0000000 0.0000000 1.0562122 4 Na 1.3815528 0.0000000 0.0000000 0.0000000 1.2330885 0.0000000 0.0000000 0.0000000 1.0562122 5 Ti 2.4475838 0.0000000 0.0000000 0.0000000 3.0479901 0.0000000 0.0000000 0.0000000 5.5688326 6 Ti 2.4475838 0.0000000 0.0000000 0.0000000 3.0479901 0.0000000 0.0000000 0.0000000 5.5688326 7 O -1.3553714 0.0000000 0.0000000 0.0000000 -2.9173266 0.0000000 0.0000000 0.0000000 -1.5538154 8 O -1.9681130 0.0000000 0.0000000 0.0000000 -1.2864993 -0.5069726 0.0000000 -0.8689294 -3.2799391 9 O -1.9681130 0.0000000 0.0000000 0.0000000 -1.2864993 0.5069726 0.0000000 0.8689294 -3.2799391 10 O -1.9681130 0.0000000 0.0000000 0.0000000 -1.2864993 0.5069726 0.0000000 0.8689294 -3.2799391 11 O -1.9681130 0.0000000 0.0000000 0.0000000 -1.2864993 -0.5069726 0.0000000 -0.8689294 -3.2799391 12 O -1.3553714 0.0000000 0.0000000 0.0000000 -2.9173266 0.0000000 0.0000000 0.0000000 -1.5538154 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (zyz) 0.00000004 (zyz) 0.00000004 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:22:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:22:42]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.993189330000000 -5.583393109999999 0.000000000000000 b 2.993189330000000 5.583393109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.608360869999999 Atomic positions (fractional): 1 Cs 0.73317628404342 0.26682371595658 0.75000000000000 132.905 2 Cs 0.26682371595658 0.73317628404342 0.25000000000000 132.905 3 Na 0.57417471180685 0.42582528819315 0.25000000000000 22.990 4 Na 0.42582528819315 0.57417471180685 0.75000000000000 22.990 5 Ti 0.95123642618703 0.04876357381297 0.25000000000000 47.867 6 Ti 0.04876357381297 0.95123642618703 0.75000000000000 47.867 7 O 0.79374958848124 0.20625041151876 0.25000000000000 15.999 8 O 0.21203643430646 0.21203643430646 0.00000000000000 15.999 9 O 0.78796356569354 0.78796356569354 0.50000000000000 15.999 10 O 0.21203643430646 0.21203643430646 0.50000000000000 15.999 11 O 0.78796356569354 0.78796356569354 0.00000000000000 15.999 12 O 0.20625041151876 0.79374958848124 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.972757319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166786219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.216721739999999 Atomic positions (fractional): 1 Cs 0.00000000000000 0.26682371595658 0.37500000000000 132.905 > 1 2 Cs 0.50000000000000 0.26682371595658 0.37500000000000 132.905 > 1 3 Cs 0.00000000000000 0.26682371595658 0.87500000000000 132.905 > 1 4 Cs 0.50000000000000 0.26682371595658 0.87500000000000 132.905 > 1 5 Cs 0.25000000000000 0.23317628404342 0.12500000000000 132.905 > 5 6 Cs 0.75000000000000 0.23317628404342 0.12500000000000 132.905 > 5 7 Cs 0.25000000000000 0.23317628404342 0.62500000000000 132.905 > 5 8 Cs 0.75000000000000 0.23317628404342 0.62500000000000 132.905 > 5 9 Cs 0.25000000000000 0.76682371595659 0.37500000000000 132.905 > 1 10 Cs 0.75000000000000 0.76682371595659 0.37500000000000 132.905 > 1 11 Cs 0.25000000000000 0.76682371595659 0.87500000000000 132.905 > 1 12 Cs 0.75000000000000 0.76682371595659 0.87500000000000 132.905 > 1 13 Cs 0.00000000000000 0.73317628404341 0.12500000000000 132.905 > 5 14 Cs 0.50000000000000 0.73317628404341 0.12500000000000 132.905 > 5 15 Cs 0.00000000000000 0.73317628404341 0.62500000000000 132.905 > 5 16 Cs 0.50000000000000 0.73317628404341 0.62500000000000 132.905 > 5 17 Na 0.00000000000000 0.42582528819315 0.12500000000000 22.990 > 17 18 Na 0.50000000000000 0.42582528819315 0.12500000000000 22.990 > 17 19 Na 0.00000000000000 0.42582528819315 0.62500000000000 22.990 > 17 20 Na 0.50000000000000 0.42582528819315 0.62500000000000 22.990 > 17 21 Na 0.25000000000000 0.07417471180685 0.37500000000000 22.990 > 21 22 Na 0.75000000000000 0.07417471180685 0.37500000000000 22.990 > 21 23 Na 0.25000000000000 0.07417471180685 0.87500000000000 22.990 > 21 24 Na 0.75000000000000 0.07417471180685 0.87500000000000 22.990 > 21 25 Na 0.25000000000000 0.92582528819315 0.12500000000000 22.990 > 17 26 Na 0.75000000000000 0.92582528819315 0.12500000000000 22.990 > 17 27 Na 0.25000000000000 0.92582528819315 0.62500000000000 22.990 > 17 28 Na 0.75000000000000 0.92582528819315 0.62500000000000 22.990 > 17 29 Na 0.00000000000000 0.57417471180685 0.37500000000000 22.990 > 21 30 Na 0.50000000000000 0.57417471180685 0.37500000000000 22.990 > 21 31 Na 0.00000000000000 0.57417471180685 0.87500000000000 22.990 > 21 32 Na 0.50000000000000 0.57417471180685 0.87500000000000 22.990 > 21 33 Ti 0.00000000000000 0.04876357381297 0.12500000000000 47.867 > 33 34 Ti 0.50000000000000 0.04876357381297 0.12500000000000 47.867 > 33 35 Ti 0.00000000000000 0.04876357381297 0.62500000000000 47.867 > 33 36 Ti 0.50000000000000 0.04876357381297 0.62500000000000 47.867 > 33 37 Ti 0.25000000000000 0.45123642618703 0.37500000000000 47.867 > 37 38 Ti 0.75000000000000 0.45123642618703 0.37500000000000 47.867 > 37 39 Ti 0.25000000000000 0.45123642618703 0.87500000000000 47.867 > 37 40 Ti 0.75000000000000 0.45123642618703 0.87500000000000 47.867 > 37 41 Ti 0.25000000000000 0.54876357381297 0.12500000000000 47.867 > 33 42 Ti 0.75000000000000 0.54876357381297 0.12500000000000 47.867 > 33 43 Ti 0.25000000000000 0.54876357381297 0.62500000000000 47.867 > 33 44 Ti 0.75000000000000 0.54876357381297 0.62500000000000 47.867 > 33 45 Ti 0.00000000000000 0.95123642618703 0.37500000000000 47.867 > 37 46 Ti 0.50000000000000 0.95123642618703 0.37500000000000 47.867 > 37 47 Ti 0.00000000000000 0.95123642618703 0.87500000000000 47.867 > 37 48 Ti 0.50000000000000 0.95123642618703 0.87500000000000 47.867 > 37 49 O 0.00000000000000 0.20625041151876 0.12500000000000 15.999 > 49 50 O 0.50000000000000 0.20625041151876 0.12500000000000 15.999 > 49 51 O 0.00000000000000 0.20625041151876 0.62500000000000 15.999 > 49 52 O 0.50000000000000 0.20625041151876 0.62500000000000 15.999 > 49 53 O 0.10601821715323 0.00000000000000 0.00000000000000 15.999 > 53 54 O 0.60601821715323 0.00000000000000 0.00000000000000 15.999 > 53 55 O 0.10601821715323 0.00000000000000 0.50000000000000 15.999 > 53 56 O 0.60601821715323 0.00000000000000 0.50000000000000 15.999 > 53 57 O 0.39398178284677 0.00000000000000 0.25000000000000 15.999 > 57 58 O 0.89398178284677 0.00000000000000 0.25000000000000 15.999 > 57 59 O 0.39398178284677 0.00000000000000 0.75000000000000 15.999 > 57 60 O 0.89398178284677 0.00000000000000 0.75000000000000 15.999 > 57 61 O 0.10601821715323 0.00000000000000 0.25000000000000 15.999 > 61 62 O 0.60601821715323 0.00000000000000 0.25000000000000 15.999 > 61 63 O 0.10601821715323 0.00000000000000 0.75000000000000 15.999 > 61 64 O 0.60601821715323 0.00000000000000 0.75000000000000 15.999 > 61 65 O 0.39398178284677 0.00000000000000 0.00000000000000 15.999 > 65 66 O 0.89398178284677 0.00000000000000 0.00000000000000 15.999 > 65 67 O 0.39398178284677 0.00000000000000 0.50000000000000 15.999 > 65 68 O 0.89398178284677 0.00000000000000 0.50000000000000 15.999 > 65 69 O 0.25000000000000 0.29374958848124 0.37500000000000 15.999 > 69 70 O 0.75000000000000 0.29374958848124 0.37500000000000 15.999 > 69 71 O 0.25000000000000 0.29374958848124 0.87500000000000 15.999 > 69 72 O 0.75000000000000 0.29374958848124 0.87500000000000 15.999 > 69 73 O 0.25000000000000 0.70625041151876 0.12500000000000 15.999 > 49 74 O 0.75000000000000 0.70625041151876 0.12500000000000 15.999 > 49 75 O 0.25000000000000 0.70625041151876 0.62500000000000 15.999 > 49 76 O 0.75000000000000 0.70625041151876 0.62500000000000 15.999 > 49 77 O 0.35601821715323 0.50000000000000 0.00000000000000 15.999 > 53 78 O 0.85601821715323 0.50000000000000 0.00000000000000 15.999 > 53 79 O 0.35601821715323 0.50000000000000 0.50000000000000 15.999 > 53 80 O 0.85601821715323 0.50000000000000 0.50000000000000 15.999 > 53 81 O 0.14398178284677 0.50000000000000 0.25000000000000 15.999 > 57 82 O 0.64398178284677 0.50000000000000 0.25000000000000 15.999 > 57 83 O 0.14398178284677 0.50000000000000 0.75000000000000 15.999 > 57 84 O 0.64398178284677 0.50000000000000 0.75000000000000 15.999 > 57 85 O 0.35601821715323 0.50000000000000 0.25000000000000 15.999 > 61 86 O 0.85601821715323 0.50000000000000 0.25000000000000 15.999 > 61 87 O 0.35601821715323 0.50000000000000 0.75000000000000 15.999 > 61 88 O 0.85601821715323 0.50000000000000 0.75000000000000 15.999 > 61 89 O 0.14398178284677 0.50000000000000 0.00000000000000 15.999 > 65 90 O 0.64398178284677 0.50000000000000 0.00000000000000 15.999 > 65 91 O 0.14398178284677 0.50000000000000 0.50000000000000 15.999 > 65 92 O 0.64398178284677 0.50000000000000 0.50000000000000 15.999 > 65 93 O 0.00000000000000 0.79374958848124 0.37500000000000 15.999 > 69 94 O 0.50000000000000 0.79374958848124 0.37500000000000 15.999 > 69 95 O 0.00000000000000 0.79374958848124 0.87500000000000 15.999 > 69 96 O 0.50000000000000 0.79374958848124 0.87500000000000 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2795501 0.0000000 0.0000000 0.0000000 3.5941740 0.0000000 0.0000000 0.0000000 4.2098964 -------------------------- Born effective charges -------------------------- 1 Cs 1.4624609 0.0000000 0.0000000 0.0000000 1.2092466 0.0000000 0.0000000 0.0000000 1.4886489 2 Cs 1.4624609 0.0000000 0.0000000 0.0000000 1.2092466 0.0000000 0.0000000 0.0000000 1.4886489 3 Na 1.3815528 0.0000000 0.0000000 0.0000000 1.2330885 0.0000000 0.0000000 0.0000000 1.0562122 4 Na 1.3815528 0.0000000 0.0000000 0.0000000 1.2330885 0.0000000 0.0000000 0.0000000 1.0562122 5 Ti 2.4475838 0.0000000 0.0000000 0.0000000 3.0479901 0.0000000 0.0000000 0.0000000 5.5688326 6 Ti 2.4475838 0.0000000 0.0000000 0.0000000 3.0479901 0.0000000 0.0000000 0.0000000 5.5688326 7 O -1.3553714 0.0000000 0.0000000 0.0000000 -2.9173266 0.0000000 0.0000000 0.0000000 -1.5538154 8 O -1.9681130 0.0000000 0.0000000 0.0000000 -1.2864993 -0.5069726 0.0000000 -0.8689294 -3.2799391 9 O -1.9681130 0.0000000 0.0000000 0.0000000 -1.2864993 0.5069726 0.0000000 0.8689294 -3.2799391 10 O -1.9681130 0.0000000 0.0000000 0.0000000 -1.2864993 0.5069726 0.0000000 0.8689294 -3.2799391 11 O -1.9681130 0.0000000 0.0000000 0.0000000 -1.2864993 -0.5069726 0.0000000 -0.8689294 -3.2799391 12 O -1.3553714 0.0000000 0.0000000 0.0000000 -2.9173266 0.0000000 0.0000000 0.0000000 -1.5538154 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zyz) 0.00000004 (zyz) 0.00000004 (zzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.73, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 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 0.841 ( 0.000 0.000 0.000) 0.000 1.987 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.782 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 7.975 ( 0.000 0.000 0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 11.510 ( 0.000 0.000 0.000) 0.000 11.782 ( 0.000 0.000 0.000) 0.000 11.932 ( 0.000 0.000 0.000) 0.000 12.701 ( 0.000 0.000 0.000) 0.000 14.284 ( 0.000 0.000 0.000) 0.000 16.232 ( 0.000 0.000 0.000) 0.000 17.320 ( 0.000 0.000 0.000) 0.000 18.364 ( 0.000 0.000 0.000) 0.000 19.095 ( 0.000 0.000 0.000) 0.000 23.032 ( 0.000 0.000 0.000) 0.000 24.017 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 8.314 -18.344 0.000) 20.140 0.487 ( 14.565 -22.950 0.000) 27.182 1.038 ( 47.917 -6.068 0.000) 48.300 1.170 ( 24.682 -7.297 0.000) 25.738 1.986 ( 0.168 0.620 0.000) 0.642 2.341 ( -1.225 4.267 0.000) 4.440 2.890 ( 2.562 -1.733 0.000) 3.093 3.128 ( 4.361 2.150 0.000) 4.862 3.218 ( -1.219 -9.191 0.000) 9.272 4.230 ( -5.068 -2.389 0.000) 5.603 4.564 ( -12.895 -0.338 0.000) 12.899 5.283 ( 9.114 -1.064 0.000) 9.176 5.569 ( -1.840 1.776 0.000) 2.557 5.709 ( -5.629 -9.712 0.000) 11.225 5.888 ( 2.757 -7.865 0.000) 8.334 6.165 ( 0.494 0.191 0.000) 0.530 6.302 ( 0.931 0.970 0.000) 1.345 6.463 ( 2.431 -0.018 0.000) 2.431 7.820 ( 2.747 0.934 0.000) 2.902 7.846 ( 3.407 0.387 0.000) 3.428 7.972 ( -0.228 0.127 0.000) 0.261 8.157 ( 11.659 43.919 0.000) 45.441 9.562 ( -1.269 -0.108 0.000) 1.274 9.712 ( 8.802 -4.477 0.000) 9.875 10.215 ( -0.277 -0.377 0.000) 0.467 11.517 ( -6.204 -4.569 0.000) 7.705 11.791 ( 1.014 0.098 0.000) 1.019 12.041 ( 11.297 -0.035 0.000) 11.297 12.690 ( -1.021 0.171 0.000) 1.035 14.303 ( 1.960 0.086 0.000) 1.962 17.254 ( -7.040 -0.101 0.000) 7.041 17.886 ( 55.294 102.654 0.000) 116.599 18.375 ( 1.663 1.345 0.000) 2.139 19.377 ( -9.676 -12.821 0.000) 16.062 23.667 ( -46.606 -85.330 0.000) 97.228 24.016 ( -1.005 -1.510 0.000) 1.814 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 8.455 -18.375 0.000) 20.227 0.965 ( 13.987 -18.515 0.000) 23.204 1.681 ( 22.499 -4.425 0.000) 22.930 1.822 ( 26.930 -2.764 0.000) 27.072 1.986 ( 1.547 0.295 0.000) 1.575 2.242 ( -2.661 8.453 0.000) 8.862 2.959 ( -1.611 -8.541 0.000) 8.692 3.213 ( 8.107 4.168 0.000) 9.116 3.428 ( 20.677 -1.853 0.000) 20.760 4.141 ( -7.367 -3.877 0.000) 8.325 4.303 ( -15.686 -2.076 0.000) 15.823 5.463 ( 8.396 -1.140 0.000) 8.473 5.535 ( 0.755 1.735 0.000) 1.892 5.724 ( -1.493 -5.514 0.000) 5.713 6.013 ( 4.926 -2.323 0.000) 5.446 6.175 ( 0.821 0.355 0.000) 0.894 6.301 ( 0.174 1.484 0.000) 1.494 6.524 ( 3.794 -0.018 0.000) 3.794 7.693 ( -13.423 5.549 0.000) 14.525 7.940 ( 4.365 20.771 0.000) 21.225 7.965 ( -0.385 0.173 0.000) 0.423 8.021 ( 13.110 3.066 0.000) 13.463 9.532 ( -1.982 -0.143 0.000) 1.987 9.972 ( 12.715 -5.334 0.000) 13.788 10.214 ( -0.359 -0.593 0.000) 0.693 11.426 ( -5.738 -0.034 0.000) 5.738 11.814 ( 1.503 0.150 0.000) 1.510 12.325 ( 18.105 -0.039 0.000) 18.105 12.664 ( -1.389 0.264 0.000) 1.414 14.349 ( 3.011 0.189 0.000) 3.017 17.074 ( -11.915 -0.164 0.000) 11.916 17.907 ( 27.096 46.267 0.000) 53.617 18.384 ( -0.102 0.662 0.000) 0.670 19.307 ( -7.078 -4.790 0.000) 8.547 23.646 ( -21.971 -38.706 0.000) 44.507 24.010 ( -1.600 -2.254 0.000) 2.765 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 8.058 -17.452 0.000) 19.222 1.355 ( 10.724 -13.302 0.000) 17.086 1.897 ( 0.513 3.381 0.000) 3.420 2.077 ( -4.130 11.668 0.000) 12.377 2.092 ( 12.746 -0.207 0.000) 12.747 2.181 ( 8.332 -1.555 0.000) 8.476 3.001 ( -1.996 -7.427 0.000) 7.690 3.340 ( 10.516 5.516 0.000) 11.875 3.979 ( 30.487 -4.890 0.000) 30.877 4.042 ( -15.335 -4.079 0.000) 15.869 4.051 ( -5.843 -3.527 0.000) 6.824 5.576 ( 4.320 -0.079 0.000) 4.321 5.604 ( 5.463 -0.861 0.000) 5.531 5.755 ( 0.230 -3.539 0.000) 3.546 6.110 ( 4.663 0.905 0.000) 4.750 6.187 ( 0.808 0.386 0.000) 0.895 6.280 ( -1.104 0.602 0.000) 1.258 6.593 ( 3.416 -0.005 0.000) 3.416 7.264 ( -20.210 12.237 0.000) 23.626 7.890 ( 3.083 7.025 0.000) 7.672 7.956 ( -0.383 0.130 0.000) 0.405 8.228 ( 10.783 1.773 0.000) 10.928 9.497 ( -1.777 -0.106 0.000) 1.780 10.214 ( -0.260 -0.535 0.000) 0.595 10.248 ( 11.119 -3.746 0.000) 11.733 11.321 ( -4.692 0.801 0.000) 4.759 11.840 ( 1.275 0.133 0.000) 1.281 12.603 ( 2.814 0.195 0.000) 2.821 12.701 ( 13.299 0.023 0.000) 13.299 14.402 ( 2.685 0.216 0.000) 2.694 16.844 ( -12.045 -0.156 0.000) 12.046 17.975 ( 18.694 25.630 0.000) 31.723 18.349 ( -4.330 -1.868 0.000) 4.716 19.223 ( -5.195 -1.837 0.000) 5.510 23.625 ( -11.559 -19.704 0.000) 22.844 24.002 ( -1.461 -1.949 0.000) 2.435 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 4.829 -10.666 0.000) 11.708 1.616 ( 5.598 -7.346 0.000) 9.236 1.833 ( -2.074 4.261 0.000) 4.739 1.886 ( -3.426 8.798 0.000) 9.441 2.247 ( 4.622 1.180 0.000) 4.770 2.272 ( 1.217 -0.947 0.000) 1.542 3.033 ( -0.501 -3.117 0.000) 3.157 3.475 ( 8.062 4.130 0.000) 9.059 3.836 ( -9.699 -3.656 0.000) 10.365 4.001 ( -2.111 -1.332 0.000) 2.496 4.476 ( 14.361 -3.176 0.000) 14.708 5.640 ( 1.210 0.146 0.000) 1.219 5.678 ( 1.868 -0.329 0.000) 1.897 5.835 ( 4.447 -2.442 0.000) 5.073 6.176 ( 3.688 0.874 0.000) 3.790 6.195 ( 0.348 0.174 0.000) 0.389 6.263 ( -0.650 -0.944 0.000) 1.146 6.640 ( 1.372 0.001 0.000) 1.372 6.797 ( -15.235 7.457 0.000) 16.962 7.886 ( 1.089 1.975 0.000) 2.255 7.950 ( -0.165 0.045 0.000) 0.171 8.359 ( 4.147 0.675 0.000) 4.201 9.473 ( -0.710 -0.037 0.000) 0.711 10.215 ( -0.090 -0.215 0.000) 0.233 10.425 ( 4.514 -1.278 0.000) 4.691 11.251 ( -1.943 0.336 0.000) 1.972 11.856 ( 0.492 0.053 0.000) 0.495 12.598 ( -0.489 0.099 0.000) 0.499 12.931 ( 7.387 -0.007 0.000) 7.387 14.437 ( 1.077 0.096 0.000) 1.081 16.673 ( -5.329 -0.066 0.000) 5.330 18.075 ( 10.951 11.474 0.000) 15.861 18.271 ( -6.300 -4.012 0.000) 7.469 19.165 ( -1.974 -0.450 0.000) 2.025 23.612 ( -3.705 -6.207 0.000) 7.229 23.996 ( -0.589 -0.766 0.000) 0.966 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 12.006 0.000 0.000) 12.006 0.738 ( 20.678 0.000 0.000) 20.678 1.629 ( 25.558 0.000 0.000) 25.558 1.800 ( 32.349 0.000 0.000) 32.349 1.996 ( 0.393 0.000 0.000) 0.393 2.331 ( -2.262 -0.000 0.000) 2.262 2.852 ( -1.026 -0.000 0.000) 1.026 3.255 ( 7.999 0.000 0.000) 7.999 3.405 ( 20.279 0.000 0.000) 20.279 4.095 ( -7.075 -0.000 0.000) 7.075 4.280 ( -16.548 -0.000 0.000) 16.548 5.452 ( 8.757 0.000 0.000) 8.757 5.586 ( 0.009 0.000 0.000) 0.009 5.621 ( 0.610 0.000 0.000) 0.610 5.987 ( 7.464 0.000 0.000) 7.464 6.179 ( 0.807 0.000 0.000) 0.807 6.320 ( 0.192 0.000 0.000) 0.192 6.523 ( 3.800 0.000 0.000) 3.800 7.713 ( -10.434 -0.000 0.000) 10.434 7.967 ( -0.421 -0.000 0.000) 0.421 7.986 ( 6.249 0.000 0.000) 6.249 8.348 ( -1.664 -0.000 0.000) 1.664 9.530 ( -1.946 -0.000 0.000) 1.946 9.866 ( 12.057 0.000 0.000) 12.057 10.208 ( -0.278 -0.000 0.000) 0.278 11.420 ( -4.293 -0.000 0.000) 4.293 11.816 ( 1.479 0.000 0.000) 1.479 12.324 ( 18.125 0.000 0.000) 18.125 12.667 ( -1.434 -0.000 0.000) 1.434 14.351 ( 3.019 0.000 0.000) 3.019 17.072 ( -11.894 -0.000 0.000) 11.894 18.274 ( -4.340 -0.000 0.000) 4.340 18.911 ( 0.425 0.000 0.000) 0.425 19.049 ( -1.849 -0.000 0.000) 1.849 23.047 ( 1.564 0.000 0.000) 1.564 23.994 ( -0.564 -0.000 0.000) 0.564 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 10.970 -9.316 0.000) 14.392 1.136 ( 16.838 -6.911 0.000) 18.201 1.972 ( 4.037 3.932 0.000) 5.635 2.050 ( 11.436 -3.350 0.000) 11.917 2.188 ( 11.575 1.122 0.000) 11.629 2.254 ( -3.351 5.059 0.000) 6.068 2.877 ( 1.389 -4.003 0.000) 4.237 3.413 ( 9.560 1.857 0.000) 9.739 3.899 ( 28.778 -2.405 0.000) 28.878 3.976 ( -16.365 -1.972 0.000) 16.483 3.993 ( -4.177 -1.854 0.000) 4.570 5.592 ( 5.941 -0.314 0.000) 5.949 5.594 ( 3.363 2.000 0.000) 3.913 5.670 ( 1.122 -4.233 0.000) 4.379 6.116 ( 5.931 0.012 0.000) 5.931 6.193 ( 0.694 0.157 0.000) 0.712 6.301 ( -1.732 0.938 0.000) 1.969 6.593 ( 3.420 -0.007 0.000) 3.420 7.402 ( -21.603 2.592 0.000) 21.758 7.958 ( -0.444 0.065 0.000) 0.449 8.011 ( -1.124 2.728 0.000) 2.950 8.372 ( 9.685 9.189 0.000) 13.351 9.495 ( -1.714 -0.043 0.000) 1.715 10.121 ( 10.391 -6.179 0.000) 12.089 10.206 ( -0.033 -0.223 0.000) 0.226 11.333 ( -4.576 0.366 0.000) 4.591 11.842 ( 1.216 0.054 0.000) 1.217 12.606 ( 3.007 0.077 0.000) 3.008 12.701 ( 13.021 0.011 0.000) 13.021 14.406 ( 2.649 0.098 0.000) 2.651 16.842 ( -11.980 -0.061 0.000) 11.980 18.176 ( -6.171 -0.600 0.000) 6.200 18.700 ( 4.296 27.714 0.000) 28.045 19.121 ( -4.123 -9.895 0.000) 10.720 23.191 ( 1.096 -16.812 0.000) 16.848 23.997 ( 1.006 0.214 0.000) 1.028 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 9.347 -12.618 0.000) 15.702 1.466 ( 11.009 -6.558 0.000) 12.814 1.939 ( -0.525 5.597 0.000) 5.622 2.105 ( -4.474 10.013 0.000) 10.967 2.221 ( 2.098 -2.507 0.000) 3.269 2.295 ( 3.239 1.724 0.000) 3.669 2.973 ( 4.882 -2.650 0.000) 5.555 3.507 ( -2.698 -0.653 0.000) 2.776 3.786 ( -1.662 -1.104 0.000) 1.995 3.976 ( 0.781 -0.985 0.000) 1.257 4.387 ( 16.172 -4.663 0.000) 16.831 5.643 ( 1.281 0.426 0.000) 1.349 5.673 ( 2.489 -0.178 0.000) 2.495 5.776 ( 7.172 -3.281 0.000) 7.887 6.195 ( 2.684 0.621 0.000) 2.755 6.199 ( 0.070 0.140 0.000) 0.157 6.252 ( -1.980 0.234 0.000) 1.994 6.640 ( 1.364 -0.010 0.000) 1.364 6.924 ( -22.847 4.624 0.000) 23.310 7.951 ( -0.225 0.061 0.000) 0.233 7.953 ( -1.262 3.567 0.000) 3.784 8.446 ( 5.554 7.062 0.000) 8.984 9.473 ( -0.640 -0.026 0.000) 0.640 10.210 ( 0.276 -0.171 0.000) 0.325 10.324 ( 3.198 -7.323 0.000) 7.991 11.260 ( -2.385 0.481 0.000) 2.433 11.857 ( 0.402 0.041 0.000) 0.404 12.599 ( -0.663 0.072 0.000) 0.667 12.931 ( 7.399 -0.007 0.000) 7.399 14.440 ( 0.968 0.124 0.000) 0.976 16.672 ( -5.210 -0.042 0.000) 5.211 18.045 ( -11.649 -4.811 0.000) 12.604 18.550 ( 5.413 20.540 0.000) 21.241 19.126 ( -1.808 -3.873 0.000) 4.274 23.384 ( 3.562 -13.090 0.000) 13.566 24.026 ( 3.354 2.104 0.000) 3.960 ======================= Grid point 13 (9/125) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 5.750 -9.377 0.000) 11.000 1.667 ( 4.930 -2.899 0.000) 5.719 1.849 ( -1.950 6.497 0.000) 6.783 1.913 ( -3.906 10.090 0.000) 10.820 2.207 ( -5.404 -2.534 0.000) 5.969 2.301 ( -0.615 1.546 0.000) 1.664 3.087 ( 6.369 2.077 0.000) 6.699 3.359 ( -13.412 -6.906 0.000) 15.086 3.909 ( 12.142 3.223 0.000) 12.563 4.026 ( 4.457 1.258 0.000) 4.631 4.490 ( -10.085 -1.688 0.000) 10.225 5.632 ( -1.720 -0.489 0.000) 1.789 5.685 ( -1.136 0.341 0.000) 1.186 5.877 ( -0.838 1.878 0.000) 2.057 6.170 ( -4.852 0.035 0.000) 4.853 6.193 ( -0.680 -0.111 0.000) 0.689 6.267 ( 1.399 -0.630 0.000) 1.534 6.640 ( -1.384 -0.018 0.000) 1.384 6.667 ( 1.541 -4.862 0.000) 5.100 7.895 ( -1.778 2.469 0.000) 3.042 7.949 ( 0.098 0.009 0.000) 0.098 8.416 ( -2.115 5.582 0.000) 5.970 9.474 ( 0.788 0.031 0.000) 0.789 10.218 ( 0.506 0.142 0.000) 0.526 10.365 ( -6.198 -6.399 0.000) 8.909 11.247 ( 1.158 -0.164 0.000) 1.169 11.855 ( -0.595 -0.035 0.000) 0.596 12.596 ( 0.291 -0.077 0.000) 0.301 12.931 ( -7.372 0.002 0.000) 7.372 14.436 ( -1.221 0.014 0.000) 1.221 16.675 ( 5.464 0.059 0.000) 5.465 17.826 ( -19.485 -9.730 0.000) 21.779 18.490 ( 5.815 13.385 0.000) 14.594 19.153 ( 2.062 -1.558 0.000) 2.584 23.586 ( 7.864 -6.321 0.000) 10.090 24.076 ( 5.948 5.327 0.000) 7.985 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -3.135 10.065 0.000) 10.542 1.609 ( -5.455 11.075 0.000) 12.345 1.839 ( 1.964 -2.166 0.000) 2.924 1.866 ( 2.347 -6.015 0.000) 6.457 2.076 ( -11.009 -1.087 0.000) 11.062 2.235 ( -4.702 3.016 0.000) 5.586 3.150 ( 5.315 7.157 0.000) 8.915 3.198 ( -11.821 -8.458 0.000) 14.535 4.048 ( -23.856 1.616 0.000) 23.911 4.121 ( 13.926 3.537 0.000) 14.368 4.136 ( -0.020 4.666 0.000) 4.666 5.582 ( -4.366 0.006 0.000) 4.366 5.624 ( -4.684 1.083 0.000) 4.807 5.803 ( -1.188 1.769 0.000) 2.131 6.082 ( -4.330 -1.305 0.000) 4.523 6.179 ( -1.003 -0.415 0.000) 1.085 6.280 ( 0.267 -0.014 0.000) 0.267 6.593 ( -3.413 -0.017 0.000) 3.413 6.958 ( 11.517 -15.967 0.000) 19.687 7.841 ( -1.547 1.770 0.000) 2.351 7.954 ( 0.294 -0.090 0.000) 0.308 8.269 ( -7.568 4.681 0.000) 8.899 9.499 ( 1.868 0.116 0.000) 1.872 10.225 ( 0.608 0.557 0.000) 0.824 10.234 ( -13.149 -4.573 0.000) 13.921 11.301 ( 3.710 -1.285 0.000) 3.926 11.837 ( -1.367 -0.141 0.000) 1.374 12.599 ( -2.580 -0.219 0.000) 2.589 12.700 ( -13.662 -0.020 0.000) 13.662 14.398 ( -2.790 -0.171 0.000) 2.795 16.847 ( 12.143 0.179 0.000) 12.145 17.532 ( -25.959 -16.587 0.000) 30.806 18.476 ( 3.847 8.319 0.000) 9.165 19.233 ( 5.317 -0.362 0.000) 5.329 23.801 ( 11.665 -0.078 0.000) 11.665 24.141 ( 9.387 9.833 0.000) 13.594 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -5.589 19.438 0.000) 20.225 1.332 ( -9.361 16.301 0.000) 18.798 1.771 ( -16.197 4.592 0.000) 16.836 1.885 ( -6.259 1.443 0.000) 6.423 2.027 ( 3.209 -11.878 0.000) 12.304 2.032 ( -10.226 6.125 0.000) 11.920 3.091 ( -8.493 -7.951 0.000) 11.634 3.135 ( -0.398 8.828 0.000) 8.837 3.465 ( -23.239 1.771 0.000) 23.306 4.219 ( 6.578 3.563 0.000) 7.482 4.350 ( 13.772 2.362 0.000) 13.973 5.494 ( -7.462 1.886 0.000) 7.696 5.520 ( -0.994 -0.029 0.000) 0.994 5.795 ( 0.905 1.711 0.000) 1.936 6.039 ( -1.171 -0.643 0.000) 1.336 6.166 ( -0.863 -0.542 0.000) 1.020 6.283 ( -0.109 -0.370 0.000) 0.386 6.524 ( -3.780 0.003 0.000) 3.780 7.268 ( -2.352 -24.779 0.000) 24.891 7.821 ( 2.603 2.894 0.000) 3.893 7.961 ( 0.300 -0.209 0.000) 0.366 8.072 ( -7.931 4.268 0.000) 9.007 9.536 ( 2.070 0.210 0.000) 2.080 9.993 ( -15.988 -2.757 0.000) 16.224 10.229 ( 0.566 0.864 0.000) 1.033 11.404 ( 5.313 -2.289 0.000) 5.785 11.810 ( -1.565 -0.226 0.000) 1.581 12.326 ( -18.052 0.057 0.000) 18.053 12.657 ( 1.276 -0.393 0.000) 1.336 14.344 ( -3.042 -0.290 0.000) 3.056 17.079 ( 11.967 0.253 0.000) 11.970 17.190 ( -33.276 -24.138 0.000) 41.109 18.457 ( 1.496 5.531 0.000) 5.730 19.345 ( 6.421 0.370 0.000) 6.432 23.992 ( 8.481 2.194 0.000) 8.761 24.267 ( 20.570 16.929 0.000) 26.640 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -4.046 22.354 0.000) 22.717 0.928 ( -17.546 16.993 0.000) 24.426 1.302 ( -21.179 18.528 0.000) 28.139 1.424 ( -21.383 17.763 0.000) 27.799 1.975 ( 0.501 -0.540 0.000) 0.737 2.186 ( 1.565 -10.596 0.000) 10.711 2.917 ( -10.712 1.329 0.000) 10.794 3.042 ( -4.429 -6.376 0.000) 7.763 3.342 ( 5.764 3.080 0.000) 6.535 4.278 ( 2.573 2.152 0.000) 3.354 4.573 ( 11.201 0.500 0.000) 11.212 5.323 ( -7.915 2.757 0.000) 8.382 5.551 ( 3.215 -0.473 0.000) 3.250 5.789 ( 0.197 1.231 0.000) 1.247 6.089 ( 10.987 4.542 0.000) 11.889 6.158 ( -0.488 -0.489 0.000) 0.691 6.286 ( 0.845 0.215 0.000) 0.872 6.464 ( -2.422 0.027 0.000) 2.422 7.303 ( -23.835 -28.801 0.000) 37.385 7.872 ( 3.854 2.845 0.000) 4.790 7.918 ( -4.216 3.096 0.000) 5.231 7.968 ( 0.185 -0.282 0.000) 0.337 9.566 ( 1.316 0.263 0.000) 1.342 9.728 ( -13.890 -1.906 0.000) 14.020 10.229 ( 0.350 0.927 0.000) 0.990 11.537 ( 6.232 -2.620 0.000) 6.760 11.787 ( -1.040 -0.248 0.000) 1.069 12.042 ( -11.278 0.087 0.000) 11.279 12.684 ( 0.985 -0.425 0.000) 1.073 14.299 ( -1.976 -0.281 0.000) 1.996 16.736 ( -43.356 -25.081 0.000) 50.088 17.258 ( 7.058 0.258 0.000) 7.063 18.425 ( 0.296 4.016 0.000) 4.027 19.450 ( 5.000 0.447 0.000) 5.020 24.056 ( 2.345 3.160 0.000) 3.935 24.619 ( 36.262 18.112 0.000) 40.534 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 0.000 19.771 0.000) 19.771 0.489 ( 0.000 24.165 0.000) 24.165 0.785 ( 0.000 38.041 0.000) 38.041 1.024 ( 0.000 15.715 0.000) 15.715 1.986 ( -0.000 -0.184 0.000) 0.184 2.292 ( -0.000 -7.794 0.000) 7.794 2.806 ( -0.000 -0.274 0.000) 0.274 3.054 ( -0.000 -4.319 0.000) 4.319 3.442 ( -0.000 -1.040 0.000) 1.040 4.277 ( 0.000 1.022 0.000) 1.022 4.701 ( -0.000 -0.683 0.000) 0.683 5.199 ( 0.000 2.981 0.000) 2.981 5.595 ( -0.000 -0.498 0.000) 0.498 5.784 ( 0.000 0.151 0.000) 0.151 6.158 ( -0.000 -0.356 0.000) 0.356 6.266 ( -0.000 -2.857 0.000) 2.857 6.440 ( 0.000 0.034 0.000) 0.034 6.567 ( -0.000 -7.066 0.000) 7.066 6.870 ( -0.000 -2.360 0.000) 2.360 7.830 ( 0.000 2.475 0.000) 2.475 7.883 ( 0.000 3.114 0.000) 3.114 7.973 ( -0.000 -0.248 0.000) 0.248 9.576 ( 0.000 0.223 0.000) 0.223 9.588 ( -0.000 -1.164 0.000) 1.164 10.224 ( 0.000 0.734 0.000) 0.734 11.659 ( -0.000 -4.135 0.000) 4.135 11.780 ( -0.000 -0.197 0.000) 0.197 11.933 ( 0.000 0.074 0.000) 0.074 12.698 ( -0.000 -0.336 0.000) 0.336 14.282 ( -0.000 -0.206 0.000) 0.206 16.230 ( -0.000 -0.268 0.000) 0.268 17.322 ( 0.000 0.199 0.000) 0.199 18.393 ( 0.000 2.819 0.000) 2.819 19.504 ( -0.000 -0.368 0.000) 0.368 24.045 ( 0.000 2.702 0.000) 2.702 25.091 ( -0.000 -3.121 0.000) 3.121 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 10.872 0.000 0.000) 10.872 1.394 ( 13.311 0.000 0.000) 13.311 2.012 ( 0.583 0.000 0.000) 0.583 2.182 ( 1.902 0.000 0.000) 1.902 2.214 ( -3.838 -0.000 0.000) 3.838 2.315 ( 2.759 0.000 0.000) 2.759 2.943 ( 7.293 0.000 0.000) 7.293 3.491 ( -8.575 -0.000 0.000) 8.575 3.779 ( 2.859 0.000 0.000) 2.859 3.966 ( 2.317 0.000 0.000) 2.317 4.333 ( 16.298 0.000 0.000) 16.298 5.654 ( -0.146 -0.000 0.000) 0.146 5.671 ( 2.726 0.000 0.000) 2.726 5.732 ( 9.783 0.000 0.000) 9.783 6.200 ( 2.090 0.000 0.000) 2.090 6.200 ( -0.035 -0.000 0.000) 0.035 6.259 ( -2.451 -0.000 0.000) 2.451 6.640 ( 1.360 0.000 0.000) 1.360 6.971 ( -24.634 -0.000 0.000) 24.634 7.952 ( -0.250 -0.000 0.000) 0.250 7.993 ( -1.993 -0.000 0.000) 1.993 8.542 ( 3.939 0.000 0.000) 3.939 9.473 ( -0.612 -0.000 0.000) 0.612 10.209 ( 0.421 0.000 0.000) 0.421 10.229 ( 3.739 0.000 0.000) 3.739 11.265 ( -2.680 -0.000 0.000) 2.680 11.857 ( 0.367 0.000 0.000) 0.367 12.600 ( -0.732 -0.000 0.000) 0.732 12.931 ( 7.403 0.000 0.000) 7.403 14.441 ( 0.931 0.000 0.000) 0.931 16.672 ( -5.163 -0.000 0.000) 5.163 17.995 ( -12.638 -0.000 0.000) 12.638 18.836 ( -3.844 -0.000 0.000) 3.844 19.032 ( 1.917 0.000 0.000) 1.917 23.229 ( 9.139 0.000 0.000) 9.139 24.049 ( 4.406 0.000 0.000) 4.406 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 9.201 -6.078 0.000) 11.027 1.603 ( 7.872 -2.160 0.000) 8.163 1.990 ( -0.447 6.119 0.000) 6.135 2.107 ( -4.313 6.425 0.000) 7.739 2.143 ( -6.277 -3.635 0.000) 7.254 2.327 ( -0.537 0.814 0.000) 0.976 3.112 ( 10.091 0.516 0.000) 10.104 3.238 ( -16.163 -3.995 0.000) 16.650 3.954 ( 12.387 1.172 0.000) 12.442 4.052 ( 6.417 1.048 0.000) 6.502 4.437 ( -7.138 -2.354 0.000) 7.516 5.627 ( -2.691 -0.048 0.000) 2.692 5.691 ( -0.648 0.147 0.000) 0.665 5.905 ( 4.137 0.715 0.000) 4.198 6.161 ( -4.505 -0.744 0.000) 4.566 6.191 ( -0.903 -0.032 0.000) 0.903 6.258 ( 0.759 -0.020 0.000) 0.759 6.610 ( -9.348 -1.158 0.000) 9.419 6.639 ( -1.393 -0.012 0.000) 1.393 7.949 ( -1.452 1.925 0.000) 2.411 7.950 ( 0.055 0.016 0.000) 0.057 8.528 ( -2.874 4.057 0.000) 4.972 9.475 ( 0.839 0.012 0.000) 0.839 10.220 ( 0.778 0.044 0.000) 0.780 10.235 ( -5.787 -4.630 0.000) 7.411 11.243 ( 0.206 -0.173 0.000) 0.269 11.854 ( -0.664 -0.011 0.000) 0.664 12.595 ( 0.162 -0.028 0.000) 0.164 12.931 ( -7.362 0.000 0.000) 7.362 14.437 ( -1.321 0.031 0.000) 1.321 16.675 ( 5.553 0.024 0.000) 5.553 17.702 ( -20.456 -2.930 0.000) 20.665 18.723 ( -1.614 7.977 0.000) 8.138 19.109 ( 3.991 -2.239 0.000) 4.576 23.463 ( 12.835 -4.128 0.000) 13.483 24.153 ( 7.683 2.019 0.000) 7.944 ======================= Grid point 22 (16/125) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 5.797 -6.439 0.000) 8.664 1.718 ( 1.465 -0.450 0.000) 1.532 1.871 ( -3.692 5.478 0.000) 6.606 1.941 ( -3.756 9.745 0.000) 10.444 2.058 ( -5.979 -0.735 0.000) 6.024 2.284 ( -2.654 1.812 0.000) 3.214 3.022 ( -13.455 -8.409 0.000) 15.867 3.267 ( 8.193 4.155 0.000) 9.186 4.072 ( -21.352 1.391 0.000) 21.398 4.175 ( 12.815 1.860 0.000) 12.949 4.198 ( 0.088 1.073 0.000) 1.077 5.569 ( -3.726 -0.940 0.000) 3.843 5.643 ( -3.957 0.759 0.000) 4.029 5.844 ( -3.894 2.316 0.000) 4.530 6.070 ( -4.889 -0.079 0.000) 4.890 6.172 ( -1.198 -0.254 0.000) 1.224 6.265 ( -0.831 -1.303 0.000) 1.545 6.593 ( -3.416 -0.025 0.000) 3.416 6.696 ( 6.728 -9.549 0.000) 11.682 7.910 ( 0.679 3.856 0.000) 3.916 7.953 ( 0.220 -0.026 0.000) 0.221 8.377 ( -7.764 5.170 0.000) 9.328 9.501 ( 1.946 0.073 0.000) 1.947 10.112 ( -12.945 -6.275 0.000) 14.386 10.234 ( 0.916 0.333 0.000) 0.974 11.273 ( 2.115 -1.324 0.000) 2.495 11.834 ( -1.452 -0.087 0.000) 1.454 12.595 ( -2.426 -0.140 0.000) 2.430 12.700 ( -13.928 -0.010 0.000) 13.928 14.396 ( -2.918 -0.061 0.000) 2.918 16.851 ( 12.230 0.118 0.000) 12.231 17.309 ( -26.346 -6.541 0.000) 27.146 18.635 ( -0.269 6.696 0.000) 6.702 19.219 ( 6.113 -0.831 0.000) 6.170 23.758 ( 14.482 -2.697 0.000) 14.731 24.289 ( 10.529 4.636 0.000) 11.504 ======================= Grid point 23 (17/125) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -0.958 7.677 0.000) 7.737 1.568 ( -11.014 7.173 0.000) 13.144 1.856 ( 0.824 -1.779 0.000) 1.960 1.858 ( 0.007 1.080 0.000) 1.080 1.902 ( -7.319 4.108 0.000) 8.393 2.174 ( -6.021 6.326 0.000) 8.733 2.906 ( -9.226 -10.269 0.000) 13.805 3.304 ( -1.470 7.835 0.000) 7.972 3.498 ( -25.767 1.478 0.000) 25.809 4.277 ( 5.212 2.311 0.000) 5.702 4.389 ( 11.912 1.479 0.000) 12.004 5.523 ( -0.764 0.147 0.000) 0.778 5.533 ( -6.390 1.771 0.000) 6.631 5.807 ( 0.226 -0.128 0.000) 0.259 6.006 ( -2.143 -1.664 0.000) 2.713 6.155 ( -0.927 -0.474 0.000) 1.041 6.259 ( -1.590 -2.351 0.000) 2.838 6.524 ( -3.772 -0.024 0.000) 3.772 6.879 ( -1.640 -14.236 0.000) 14.330 7.909 ( 4.102 5.035 0.000) 6.494 7.957 ( 0.208 -0.129 0.000) 0.245 8.169 ( -8.221 5.040 0.000) 9.643 9.540 ( 2.163 0.176 0.000) 2.170 9.899 ( -15.819 -5.708 0.000) 16.817 10.246 ( 0.803 0.715 0.000) 1.076 11.345 ( 3.195 -3.194 0.000) 4.518 11.806 ( -1.639 -0.193 0.000) 1.650 12.327 ( -17.990 0.047 0.000) 17.990 12.650 ( 1.148 -0.333 0.000) 1.195 14.339 ( -3.120 -0.219 0.000) 3.128 16.877 ( -28.266 -9.267 0.000) 29.746 17.083 ( 12.026 0.224 0.000) 12.028 18.571 ( -0.281 5.371 0.000) 5.378 19.344 ( 6.408 -0.289 0.000) 6.415 24.017 ( 11.228 0.842 0.000) 11.260 24.470 ( 15.101 5.004 0.000) 15.909 ======================= Grid point 24 (18/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -2.563 18.614 0.000) 18.790 1.200 ( -18.888 11.646 0.000) 22.190 1.606 ( -10.631 11.340 0.000) 15.544 1.817 ( -6.684 15.231 0.000) 16.633 1.961 ( 1.705 -10.553 0.000) 10.689 1.981 ( -1.273 4.014 0.000) 4.211 2.878 ( -4.653 -9.899 0.000) 10.938 2.952 ( -14.893 2.312 0.000) 15.072 3.391 ( 3.048 2.763 0.000) 4.114 4.316 ( 1.081 1.644 0.000) 1.967 4.580 ( 9.024 0.123 0.000) 9.025 5.384 ( -6.328 3.176 0.000) 7.080 5.551 ( 3.322 0.541 0.000) 3.366 5.803 ( -0.852 0.361 0.000) 0.925 6.065 ( 5.745 -4.314 0.000) 7.184 6.147 ( -0.484 -0.563 0.000) 0.742 6.261 ( -1.006 -4.002 0.000) 4.127 6.464 ( -2.412 -0.005 0.000) 2.412 6.899 ( -10.861 -13.424 0.000) 17.267 7.944 ( 2.971 4.140 0.000) 5.096 7.963 ( 0.123 -0.252 0.000) 0.281 8.002 ( -3.378 4.782 0.000) 5.855 9.572 ( 1.382 0.282 0.000) 1.410 9.667 ( -13.020 -3.731 0.000) 13.544 10.249 ( 0.464 1.005 0.000) 1.107 11.450 ( 3.287 -5.291 0.000) 6.229 11.782 ( -1.080 -0.279 0.000) 1.115 12.044 ( -11.249 0.098 0.000) 11.249 12.675 ( 0.930 -0.469 0.000) 1.042 14.293 ( -1.983 -0.314 0.000) 2.008 16.463 ( -24.033 -6.866 0.000) 24.995 17.263 ( 7.085 0.295 0.000) 7.091 18.515 ( -0.297 4.714 0.000) 4.723 19.449 ( 4.253 -0.308 0.000) 4.264 24.133 ( 4.447 4.421 0.000) 6.271 24.759 ( 17.555 0.222 0.000) 17.556 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.000 18.301 0.000) 18.301 0.951 ( 0.000 21.883 0.000) 21.883 1.353 ( 0.000 15.243 0.000) 15.243 1.481 ( 0.000 30.797 0.000) 30.797 1.978 ( -0.000 -0.390 0.000) 0.390 2.090 ( -0.000 -11.591 0.000) 11.591 2.806 ( 0.000 0.516 0.000) 0.516 2.927 ( -0.000 -8.398 0.000) 8.398 3.424 ( -0.000 -0.320 0.000) 0.320 4.304 ( 0.000 1.492 0.000) 1.492 4.683 ( -0.000 -1.055 0.000) 1.055 5.274 ( 0.000 4.259 0.000) 4.259 5.588 ( -0.000 -0.006 0.000) 0.006 5.788 ( 0.000 0.274 0.000) 0.274 6.148 ( -0.000 -0.554 0.000) 0.554 6.196 ( -0.000 -3.768 0.000) 3.768 6.372 ( -0.000 -12.006 0.000) 12.006 6.441 ( 0.000 0.019 0.000) 0.019 6.804 ( -0.000 -4.109 0.000) 4.109 7.896 ( 0.000 3.836 0.000) 3.836 7.963 ( 0.000 4.586 0.000) 4.586 7.967 ( -0.000 -0.318 0.000) 0.318 9.555 ( -0.000 -2.046 0.000) 2.046 9.582 ( 0.000 0.324 0.000) 0.324 10.243 ( 0.000 1.084 0.000) 1.084 11.549 ( -0.000 -6.483 0.000) 6.483 11.774 ( -0.000 -0.300 0.000) 0.300 11.935 ( 0.000 0.113 0.000) 0.113 12.689 ( -0.000 -0.502 0.000) 0.502 14.277 ( -0.000 -0.313 0.000) 0.313 16.223 ( -0.000 -0.397 0.000) 0.397 17.328 ( 0.000 0.307 0.000) 0.307 18.468 ( 0.000 4.363 0.000) 4.363 19.495 ( -0.000 -0.510 0.000) 0.510 24.122 ( 0.000 4.912 0.000) 4.912 25.002 ( -0.000 -5.684 0.000) 5.684 ======================= Grid point 30 (20/125) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 7.708 0.000 0.000) 7.708 1.702 ( 3.450 0.000 0.000) 3.450 1.940 ( -10.260 -0.000 0.000) 10.260 2.049 ( 0.808 0.000 0.000) 0.808 2.065 ( -3.841 -0.000 0.000) 3.841 2.303 ( -2.253 -0.000 0.000) 2.253 2.922 ( -14.727 -0.000 0.000) 14.727 3.308 ( 9.453 0.000 0.000) 9.453 4.096 ( -27.023 -0.000 0.000) 27.023 4.194 ( 12.401 0.000 0.000) 12.401 4.196 ( 7.517 0.000 0.000) 7.517 5.558 ( -3.842 -0.000 0.000) 3.842 5.651 ( -3.661 -0.000 0.000) 3.661 5.874 ( -5.255 -0.000 0.000) 5.255 6.070 ( -4.660 -0.000 0.000) 4.660 6.169 ( -1.281 -0.000 0.000) 1.281 6.247 ( -1.600 -0.000 0.000) 1.600 6.593 ( -3.418 -0.000 0.000) 3.418 6.598 ( 5.388 0.000 0.000) 5.388 7.952 ( 0.191 0.000 0.000) 0.191 7.954 ( 1.168 0.000 0.000) 1.168 8.435 ( -8.515 -0.000 0.000) 8.515 9.502 ( 1.976 0.000 0.000) 1.976 10.040 ( -12.170 -0.000 0.000) 12.170 10.238 ( 1.037 0.000 0.000) 1.037 11.258 ( 1.420 0.000 0.000) 1.420 11.833 ( -1.486 -0.000 0.000) 1.486 12.594 ( -2.377 -0.000 0.000) 2.377 12.700 ( -14.020 -0.000 0.000) 14.020 14.395 ( -2.976 -0.000 0.000) 2.976 16.852 ( 12.264 0.000 0.000) 12.264 17.247 ( -26.169 -0.000 0.000) 26.169 18.707 ( -2.754 -0.000 0.000) 2.754 19.209 ( 6.877 0.000 0.000) 6.877 23.727 ( 16.472 0.000 0.000) 16.472 24.333 ( 10.109 0.000 0.000) 10.109 ======================= Grid point 32 (21/125) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 4.832 -2.786 0.000) 5.578 1.644 ( -9.760 1.399 0.000) 9.860 1.846 ( 1.025 -0.589 0.000) 1.182 1.963 ( -2.975 6.901 0.000) 7.515 2.000 ( -6.202 3.242 0.000) 6.998 2.257 ( -1.310 1.996 0.000) 2.387 2.719 ( -10.397 -6.725 0.000) 12.382 3.426 ( 2.553 3.685 0.000) 4.483 3.517 ( -29.477 0.351 0.000) 29.479 4.309 ( 4.434 0.787 0.000) 4.503 4.408 ( 10.830 0.464 0.000) 10.840 5.522 ( 0.522 -0.172 0.000) 0.550 5.559 ( -5.700 0.723 0.000) 5.746 5.804 ( -1.513 -0.002 0.000) 1.513 5.987 ( -4.182 -0.361 0.000) 4.198 6.148 ( -0.978 -0.186 0.000) 0.995 6.210 ( -3.148 -1.746 0.000) 3.600 6.523 ( -3.772 -0.017 0.000) 3.772 6.692 ( 0.882 -4.679 0.000) 4.762 7.956 ( 0.151 -0.037 0.000) 0.155 7.989 ( 3.629 2.386 0.000) 4.343 8.249 ( -9.164 2.397 0.000) 9.472 9.542 ( 2.220 0.067 0.000) 2.221 9.805 ( -14.096 -2.862 0.000) 14.384 10.256 ( 0.959 0.271 0.000) 0.997 11.295 ( 1.782 -1.480 0.000) 2.317 11.803 ( -1.690 -0.075 0.000) 1.691 12.327 ( -17.947 0.018 0.000) 17.947 12.645 ( 1.063 -0.128 0.000) 1.071 14.336 ( -3.191 -0.075 0.000) 3.192 16.769 ( -25.593 -2.347 0.000) 25.700 17.087 ( 12.065 0.089 0.000) 12.066 18.651 ( -1.888 2.229 0.000) 2.921 19.338 ( 6.596 -0.162 0.000) 6.598 24.028 ( 14.828 0.270 0.000) 14.830 24.519 ( 10.427 0.775 0.000) 10.455 ======================= Grid point 33 (22/125) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -12.014 7.673 0.000) 14.256 1.426 ( 0.708 3.739 0.000) 3.805 1.759 ( -12.637 4.254 0.000) 13.334 1.865 ( -0.453 3.303 0.000) 3.334 1.887 ( 1.280 -0.947 0.000) 1.593 2.192 ( -0.556 9.510 0.000) 9.527 2.665 ( -5.086 -10.655 0.000) 11.806 3.006 ( -17.062 2.752 0.000) 17.283 3.461 ( 1.640 3.695 0.000) 4.042 4.342 ( 0.449 0.913 0.000) 1.017 4.579 ( 7.466 -0.096 0.000) 7.467 5.439 ( -5.171 2.068 0.000) 5.570 5.574 ( 4.660 1.746 0.000) 4.976 5.803 ( -0.184 -0.498 0.000) 0.530 5.960 ( 0.080 -5.570 0.000) 5.570 6.138 ( -0.484 -0.371 0.000) 0.610 6.169 ( -4.141 -3.643 0.000) 5.515 6.464 ( -2.409 -0.025 0.000) 2.409 6.716 ( -3.441 -5.774 0.000) 6.722 7.959 ( 0.072 -0.127 0.000) 0.146 8.020 ( 1.187 3.036 0.000) 3.260 8.089 ( -3.308 3.545 0.000) 4.849 9.576 ( 1.435 0.175 0.000) 1.446 9.597 ( -10.550 -2.895 0.000) 10.940 10.266 ( 0.565 0.628 0.000) 0.845 11.354 ( 1.604 -3.857 0.000) 4.177 11.777 ( -1.117 -0.180 0.000) 1.132 12.046 ( -11.221 0.063 0.000) 11.222 12.667 ( 0.882 -0.298 0.000) 0.931 14.287 ( -2.002 -0.194 0.000) 2.011 16.382 ( -17.423 -2.103 0.000) 17.550 17.268 ( 7.110 0.194 0.000) 7.112 18.597 ( -0.970 3.144 0.000) 3.291 19.443 ( 4.099 -0.249 0.000) 4.106 24.221 ( 7.455 4.027 0.000) 8.474 24.715 ( 9.269 -3.233 0.000) 9.817 ======================= Grid point 34 (23/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.000 15.177 0.000) 15.177 1.329 ( 0.000 14.395 0.000) 14.395 1.576 ( 0.000 6.466 0.000) 6.466 1.888 ( -0.000 -6.487 0.000) 6.487 1.890 ( 0.000 4.251 0.000) 4.251 2.056 ( 0.000 13.630 0.000) 13.630 2.729 ( -0.000 -11.094 0.000) 11.094 2.832 ( 0.000 2.026 0.000) 2.026 3.445 ( 0.000 2.564 0.000) 2.564 4.331 ( 0.000 1.127 0.000) 1.127 4.662 ( -0.000 -0.936 0.000) 0.936 5.355 ( 0.000 3.500 0.000) 3.500 5.605 ( 0.000 1.994 0.000) 1.994 5.794 ( 0.000 0.284 0.000) 0.284 6.111 ( -0.000 -13.576 0.000) 13.576 6.131 ( -0.000 -2.446 0.000) 2.446 6.138 ( -0.000 -0.495 0.000) 0.495 6.441 ( -0.000 -0.019 0.000) 0.019 6.717 ( -0.000 -4.321 0.000) 4.321 7.961 ( -0.000 -0.219 0.000) 0.219 7.972 ( 0.000 3.499 0.000) 3.499 8.052 ( 0.000 3.984 0.000) 3.984 9.512 ( -0.000 -2.108 0.000) 2.108 9.588 ( 0.000 0.268 0.000) 0.268 10.263 ( 0.000 0.911 0.000) 0.911 11.421 ( -0.000 -5.867 0.000) 5.867 11.769 ( -0.000 -0.262 0.000) 0.262 11.937 ( 0.000 0.099 0.000) 0.099 12.679 ( -0.000 -0.429 0.000) 0.429 14.271 ( -0.000 -0.273 0.000) 0.273 16.215 ( -0.000 -0.335 0.000) 0.335 17.334 ( 0.000 0.272 0.000) 0.272 18.553 ( 0.000 3.893 0.000) 3.893 19.486 ( -0.000 -0.407 0.000) 0.407 24.233 ( 0.000 6.004 0.000) 6.004 24.874 ( -0.000 -6.812 0.000) 6.812 ======================= Grid point 41 (24/125) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 2.675 0.000 0.000) 2.675 1.479 ( -7.561 -0.000 0.000) 7.561 1.796 ( -15.551 -0.000 0.000) 15.551 1.873 ( 1.557 0.000 0.000) 1.557 1.957 ( -1.659 -0.000 0.000) 1.659 2.284 ( 1.831 0.000 0.000) 1.831 2.530 ( -5.593 -0.000 0.000) 5.593 3.038 ( -17.684 -0.000 0.000) 17.684 3.504 ( 1.660 0.000 0.000) 1.660 4.351 ( 0.203 0.000 0.000) 0.203 4.578 ( 6.929 0.000 0.000) 6.929 5.460 ( -4.770 -0.000 0.000) 4.770 5.601 ( 7.259 0.000 0.000) 7.259 5.789 ( -0.108 -0.000 0.000) 0.108 5.896 ( -5.397 -0.000 0.000) 5.397 6.134 ( -0.485 -0.000 0.000) 0.485 6.135 ( -3.387 -0.000 0.000) 3.387 6.463 ( -2.409 -0.000 0.000) 2.409 6.658 ( -1.555 -0.000 0.000) 1.555 7.957 ( 0.052 0.000 0.000) 0.052 8.052 ( 0.371 0.000 0.000) 0.371 8.127 ( -3.563 -0.000 0.000) 3.563 9.566 ( -9.337 -0.000 0.000) 9.337 9.578 ( 1.455 0.000 0.000) 1.455 10.272 ( 0.606 0.000 0.000) 0.606 11.313 ( 1.068 0.000 0.000) 1.068 11.775 ( -1.132 -0.000 0.000) 1.132 12.046 ( -11.210 -0.000 0.000) 11.210 12.664 ( 0.863 0.000 0.000) 0.863 14.285 ( -2.015 -0.000 0.000) 2.015 16.363 ( -15.852 -0.000 0.000) 15.852 17.270 ( 7.119 0.000 0.000) 7.119 18.630 ( -1.262 -0.000 0.000) 1.262 19.440 ( 4.071 0.000 0.000) 4.071 24.268 ( 9.490 0.000 0.000) 9.490 24.675 ( 6.104 0.000 0.000) 6.104 ======================= Grid point 43 (25/125) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.000 8.165 0.000) 8.165 1.454 ( 0.000 0.118 0.000) 0.118 1.618 ( -0.000 -1.060 0.000) 1.060 1.892 ( -0.000 -0.656 0.000) 0.656 1.907 ( 0.000 5.624 0.000) 5.624 2.277 ( 0.000 5.769 0.000) 5.769 2.521 ( -0.000 -7.881 0.000) 7.881 2.871 ( 0.000 1.347 0.000) 1.347 3.505 ( 0.000 2.417 0.000) 2.417 4.346 ( 0.000 0.357 0.000) 0.357 4.649 ( -0.000 -0.372 0.000) 0.372 5.404 ( 0.000 1.330 0.000) 1.330 5.678 ( 0.000 5.520 0.000) 5.520 5.798 ( 0.000 0.120 0.000) 0.120 5.862 ( -0.000 -10.569 0.000) 10.569 6.101 ( -0.000 -0.622 0.000) 0.622 6.130 ( -0.000 -0.197 0.000) 0.197 6.440 ( -0.000 -0.017 0.000) 0.017 6.650 ( -0.000 -1.985 0.000) 1.985 7.958 ( -0.000 -0.071 0.000) 0.071 8.023 ( 0.000 1.435 0.000) 1.435 8.110 ( 0.000 1.581 0.000) 1.581 9.480 ( -0.000 -0.927 0.000) 0.927 9.592 ( 0.000 0.102 0.000) 0.102 10.276 ( 0.000 0.349 0.000) 0.349 11.335 ( -0.000 -2.365 0.000) 2.365 11.765 ( -0.000 -0.103 0.000) 0.103 11.939 ( 0.000 0.039 0.000) 0.039 12.673 ( -0.000 -0.166 0.000) 0.166 14.267 ( -0.000 -0.107 0.000) 0.107 16.210 ( -0.000 -0.129 0.000) 0.129 17.338 ( 0.000 0.108 0.000) 0.108 18.610 ( 0.000 1.556 0.000) 1.556 19.480 ( -0.000 -0.153 0.000) 0.153 24.339 ( 0.000 3.735 0.000) 3.735 24.755 ( -0.000 -4.088 0.000) 4.088 ======================= Grid point 85 (26/125) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.185 ( 0.000 0.000 9.487) 9.487 0.528 ( 0.000 0.000 26.805) 26.805 0.859 ( 0.000 0.000 1.584) 1.584 1.285 ( 0.000 0.000 55.395) 55.395 1.969 ( 0.000 0.000 -1.157) 1.157 2.355 ( 0.000 0.000 -1.487) 1.487 2.873 ( 0.000 0.000 6.324) 6.324 2.918 ( 0.000 0.000 2.562) 2.562 3.392 ( 0.000 0.000 25.115) 25.115 4.272 ( 0.000 0.000 0.205) 0.205 4.861 ( 0.000 0.000 14.417) 14.417 5.222 ( 0.000 0.000 -5.560) 5.560 5.650 ( 0.000 0.000 0.068) 0.068 5.690 ( 0.000 0.000 8.696) 8.696 5.815 ( 0.000 0.000 2.779) 2.779 6.209 ( 0.000 0.000 -5.111) 5.111 6.340 ( 0.000 0.000 4.568) 4.568 6.447 ( 0.000 0.000 0.429) 0.429 6.894 ( 0.000 0.000 -0.081) 0.081 7.841 ( 0.000 0.000 3.797) 3.797 7.858 ( 0.000 0.000 2.157) 2.157 8.029 ( 0.000 0.000 5.199) 5.199 9.514 ( 0.000 0.000 -8.246) 8.246 10.104 ( 0.000 0.000 19.338) 19.338 11.355 ( 0.000 0.000 -15.524) 15.524 11.827 ( 0.000 0.000 4.536) 4.536 12.034 ( 0.000 0.000 9.959) 9.959 12.644 ( 0.000 0.000 -5.676) 5.676 14.219 ( 0.000 0.000 -6.342) 6.342 16.111 ( 0.000 0.000 -12.141) 12.141 17.348 ( 0.000 0.000 2.794) 2.794 18.316 ( 0.000 0.000 -4.516) 4.516 18.815 ( 0.000 0.000 1.257) 1.257 19.093 ( 0.000 0.000 -0.307) 0.307 23.028 ( 0.000 0.000 -0.220) 0.220 23.962 ( 0.000 0.000 -5.483) 5.483 ======================= Grid point 86 (27/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 10.202 -6.881 19.536) 23.089 0.978 ( 39.190 -4.149 4.901) 39.712 1.178 ( 23.429 -6.046 2.071) 24.285 1.367 ( 7.160 -9.651 44.989) 46.566 1.966 ( -0.120 0.269 -1.132) 1.170 2.341 ( -1.770 0.398 -0.659) 1.930 2.926 ( 0.787 -2.477 3.266) 4.174 3.018 ( 9.884 -4.226 -1.060) 10.802 3.424 ( 4.367 1.679 25.103) 25.535 4.231 ( -4.531 -1.208 0.436) 4.709 4.708 ( -12.565 -0.197 13.150) 18.189 5.273 ( 5.154 3.225 -3.337) 6.935 5.599 ( -1.607 3.322 0.951) 3.811 5.747 ( 0.568 -5.855 6.701) 8.916 5.889 ( 5.988 -1.731 1.804) 6.489 6.138 ( -3.945 -0.697 -3.168) 5.107 6.333 ( -0.161 0.726 3.006) 3.096 6.484 ( 3.710 0.205 2.115) 4.276 7.116 ( 16.010 3.018 -15.532) 22.510 7.833 ( 2.914 2.724 1.869) 4.405 7.928 ( 5.462 0.835 3.096) 6.334 8.031 ( -0.079 -0.996 5.239) 5.333 9.589 ( 8.060 0.460 -8.238) 11.535 10.108 ( -0.129 -1.013 20.307) 20.332 11.319 ( -2.467 2.342 -14.584) 14.975 11.811 ( -1.955 0.245 6.052) 6.365 12.146 ( 11.631 -0.059 10.245) 15.500 12.627 ( -1.246 1.540 -5.140) 5.508 14.064 (-119.161 41.920 140.809) 189.166 14.238 ( 0.659 0.222 -5.049) 5.097 17.277 ( -6.050 1.574 2.491) 6.730 17.935 ( 30.989 90.358 5.301) 95.671 18.350 ( 1.758 4.695 -2.253) 5.496 19.298 ( -8.009 -15.307 -6.533) 18.469 23.394 ( -16.021 -57.734 -16.286) 62.089 23.958 ( -1.481 -2.192 -5.537) 6.137 ======================= Grid point 87 (28/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 11.817 -7.103 13.793) 19.503 1.373 ( 5.743 -10.212 30.721) 32.879 1.678 ( 22.026 -4.011 -0.147) 22.389 1.836 ( 20.959 -3.747 3.256) 21.539 1.968 ( 2.361 -1.156 0.419) 2.662 2.277 ( -2.801 3.458 2.015) 4.885 2.970 ( -0.981 -6.751 1.853) 7.069 3.332 ( 19.887 -2.576 3.056) 20.285 3.533 ( 11.017 2.331 21.157) 23.967 4.148 ( -6.331 -3.195 0.959) 7.156 4.469 ( -13.699 -1.659 15.928) 21.074 5.329 ( 3.098 0.527 -9.511) 10.017 5.557 ( 1.044 3.209 -0.045) 3.375 5.806 ( 0.838 -2.796 6.492) 7.118 6.025 ( 5.881 -1.826 1.874) 6.436 6.122 ( 1.655 0.128 -2.911) 3.351 6.315 ( -0.954 1.012 1.183) 1.826 6.567 ( 5.128 0.287 4.227) 6.651 7.224 ( 0.120 6.623 -18.013) 19.193 7.869 ( 5.308 8.435 -1.189) 10.037 8.013 ( 1.512 0.340 3.890) 4.187 8.089 ( 7.431 -2.953 6.803) 10.498 9.776 ( 11.590 0.923 -9.822) 15.220 10.123 ( 0.315 -2.113 24.475) 24.568 11.225 ( -3.934 4.012 -9.618) 11.139 11.682 ( -14.555 3.592 36.797) 39.734 12.272 ( -31.398 17.475 88.120) 95.165 12.437 ( 18.095 0.088 10.741) 21.043 12.643 ( -6.081 -0.806 6.875) 9.214 14.280 ( 2.840 0.193 -6.630) 7.216 17.101 ( -11.559 0.334 2.747) 11.886 17.822 ( 24.537 45.373 -8.045) 52.206 18.333 ( -1.714 0.069 -4.951) 5.240 19.253 ( -7.042 -5.853 -5.245) 10.553 23.530 ( -15.217 -33.477 -9.799) 38.056 23.952 ( -1.877 -2.772 -5.649) 6.566 ======================= Grid point 88 (29/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 9.515 -7.632 11.198) 16.558 1.569 ( 4.061 -9.516 19.239) 21.844 1.877 ( -0.743 2.858 -0.687) 3.032 2.021 ( 7.890 1.841 -1.840) 8.308 2.168 ( 5.478 1.436 2.712) 6.279 2.225 ( 3.920 -0.296 5.003) 6.363 3.023 ( -0.491 -6.643 3.091) 7.344 3.608 ( 11.530 3.381 24.027) 26.864 3.937 ( 24.360 -5.157 -2.489) 25.024 4.072 ( -5.207 -3.281 1.929) 6.450 4.249 ( -10.528 -2.816 20.505) 23.221 5.393 ( 3.442 -1.550 -15.728) 16.175 5.573 ( 2.883 1.503 -1.757) 3.696 5.832 ( 0.193 -0.943 3.942) 4.058 6.120 ( 3.920 1.013 0.993) 4.169 6.187 ( 4.730 -0.241 2.129) 5.193 6.280 ( -1.799 0.411 0.079) 1.847 6.655 ( 4.170 0.146 5.614) 6.995 7.027 ( -11.888 8.217 -11.177) 18.270 7.861 ( 2.591 6.672 -0.053) 7.158 8.009 ( -0.666 0.194 4.696) 4.747 8.292 ( 9.754 -1.281 6.745) 11.928 9.944 ( 6.763 1.603 -11.216) 13.195 10.169 ( 2.233 -2.148 32.152) 32.301 11.106 ( -3.587 4.726 14.128) 15.323 11.295 ( -15.208 1.638 54.850) 56.942 11.971 ( -2.726 2.569 17.638) 18.032 12.573 ( -1.439 0.143 -3.649) 3.925 12.810 ( 17.476 -0.439 11.352) 20.844 14.331 ( 2.722 0.230 -6.528) 7.077 16.868 ( -12.255 0.105 2.505) 12.509 17.880 ( 19.620 26.505 -9.770) 34.393 18.274 ( -6.452 -3.242 -7.184) 10.185 19.176 ( -5.204 -2.510 -4.744) 7.476 23.552 ( -9.331 -17.842 -6.625) 21.197 23.944 ( -1.584 -2.239 -5.638) 6.270 ======================= Grid point 89 (30/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 7.031 -8.139 8.570) 13.752 1.636 ( -2.351 2.980 4.370) 5.788 1.850 ( 0.224 -2.342 5.107) 5.623 1.999 ( -1.260 4.615 5.566) 7.339 2.255 ( 4.027 0.891 0.923) 4.227 2.299 ( 1.015 -0.902 3.288) 3.557 3.072 ( 0.103 -2.985 4.566) 5.456 3.789 ( 12.599 4.616 24.616) 28.035 3.985 ( -13.058 -4.845 18.759) 23.365 4.025 ( -1.954 -1.073 2.220) 3.146 4.441 ( 12.566 -2.764 -2.159) 13.047 5.465 ( 2.002 -0.871 -18.593) 18.721 5.612 ( 1.433 0.172 -3.142) 3.458 5.850 ( 1.174 -0.520 0.799) 1.513 6.172 ( 2.968 0.991 -0.233) 3.138 6.242 ( -1.103 -0.081 1.417) 1.797 6.287 ( 4.010 -1.149 5.591) 6.976 6.689 ( -7.776 3.911 -0.233) 8.708 6.719 ( -2.706 1.811 2.448) 4.073 7.846 ( 0.796 2.330 0.472) 2.507 7.997 ( -0.322 0.021 4.604) 4.616 8.433 ( 3.964 -0.259 7.242) 8.260 10.002 ( 1.425 0.564 -7.093) 7.256 10.220 ( 1.218 -0.434 36.632) 36.655 11.042 ( 0.915 2.363 49.329) 49.394 11.115 ( -5.723 -1.148 5.499) 8.019 11.935 ( -0.374 0.593 7.566) 7.599 12.550 ( -0.672 0.061 -4.708) 4.756 13.061 ( 7.614 -0.128 12.103) 14.299 14.368 ( 1.199 0.103 -6.022) 6.141 16.690 ( -5.546 0.044 1.799) 5.831 18.004 ( 15.017 14.696 -7.941) 22.462 18.163 ( -10.644 -7.365 -10.080) 16.406 19.123 ( -1.962 -0.699 -4.412) 4.878 23.552 ( -3.122 -5.689 -5.523) 8.522 23.939 ( -0.623 -0.857 -5.600) 5.699 ======================= Grid point 95 (31/125) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 16.343 0.000 13.846) 21.420 1.241 ( 2.472 0.000 43.860) 43.930 1.632 ( 24.848 0.000 0.313) 24.850 1.793 ( 29.347 0.000 1.919) 29.409 1.970 ( 0.248 0.000 -1.848) 1.865 2.300 ( -2.770 -0.000 -2.373) 3.647 2.900 ( -0.034 -0.000 4.242) 4.242 3.302 ( 20.432 0.000 1.125) 20.463 3.558 ( 9.589 0.000 21.262) 23.325 4.114 ( -6.526 -0.000 1.621) 6.725 4.452 ( -14.215 -0.000 16.676) 21.912 5.337 ( 1.430 0.000 -7.462) 7.598 5.610 ( 0.080 0.000 -1.253) 1.256 5.756 ( 2.735 0.000 11.492) 11.813 6.003 ( 6.776 0.000 1.460) 6.931 6.121 ( 1.989 0.000 -3.279) 3.835 6.329 ( -0.841 -0.000 0.773) 1.142 6.570 ( 5.020 0.000 4.509) 6.747 7.288 ( -0.600 -0.000 -18.814) 18.824 7.992 ( 6.510 0.000 -7.256) 9.749 8.018 ( -0.469 -0.000 4.899) 4.922 8.038 ( 9.709 0.000 5.096) 10.965 9.788 ( 12.304 0.000 -7.524) 14.422 10.099 ( -0.160 -0.000 23.250) 23.251 11.266 ( -4.262 -0.000 -15.412) 15.990 11.713 ( -12.203 -0.000 27.850) 30.406 12.438 ( 18.559 0.000 10.868) 21.507 12.507 ( -57.180 -0.000 121.659) 134.427 12.610 ( -1.274 -0.000 -5.568) 5.712 14.282 ( 2.860 0.000 -6.648) 7.237 17.104 ( -11.868 -0.000 3.218) 12.296 18.224 ( -4.094 -0.000 -5.012) 6.471 18.716 ( -0.188 -0.000 -17.301) 17.303 19.036 ( -2.255 -0.000 -1.490) 2.703 23.042 ( 1.446 0.000 -0.343) 1.486 23.931 ( -0.648 -0.000 -6.041) 6.076 ======================= Grid point 96 (32/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 12.618 2.515 15.431) 20.091 1.349 ( 5.041 -10.467 31.107) 33.206 1.947 ( 1.572 3.488 -2.158) 4.393 2.022 ( 12.182 -1.499 -1.979) 12.433 2.170 ( 11.476 0.047 -0.398) 11.483 2.241 ( -2.919 0.356 -1.376) 3.246 2.935 ( 2.594 -2.141 5.298) 6.276 3.647 ( 13.481 0.710 19.265) 23.524 3.858 ( 20.693 -2.121 -1.243) 20.838 4.020 ( -3.796 -1.545 2.512) 4.807 4.207 ( -10.588 -1.195 23.109) 25.447 5.373 ( 2.811 -0.500 -13.652) 13.947 5.612 ( 1.342 1.752 -1.786) 2.839 5.803 ( 1.248 -1.415 7.611) 7.842 6.119 ( 5.000 -0.422 0.478) 5.040 6.186 ( 4.348 -0.036 1.713) 4.673 6.297 ( -2.138 0.812 -0.235) 2.299 6.657 ( 4.075 0.086 5.814) 7.101 7.136 ( -13.035 2.668 -12.848) 18.495 7.984 ( -0.524 4.114 -0.891) 4.242 8.015 ( -0.895 0.088 3.922) 4.024 8.286 ( 12.588 0.390 -0.137) 12.595 9.995 ( 9.132 2.824 -6.673) 11.657 10.116 ( 1.615 -2.741 27.271) 27.456 11.172 ( -4.652 1.824 -9.880) 11.072 11.303 ( -23.043 -0.288 83.044) 86.182 12.014 ( -6.664 1.383 26.725) 27.578 12.573 ( -1.423 -0.049 -4.688) 4.899 12.804 ( 17.983 -0.134 11.149) 21.159 14.335 ( 2.690 0.102 -6.520) 7.054 16.870 ( -12.306 0.050 2.891) 12.641 18.130 ( -5.829 -0.296 -4.523) 7.384 18.549 ( 3.157 24.471 -15.525) 29.152 19.069 ( -3.483 -8.680 -4.665) 10.451 23.169 ( 1.482 -14.463 -1.880) 14.660 23.933 ( 0.909 0.055 -6.168) 6.235 ======================= Grid point 97 (33/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 7.707 -2.446 18.759) 20.428 1.570 ( 6.308 -7.873 13.266) 16.666 1.892 ( -1.804 5.611 -2.672) 6.471 2.097 ( -1.362 4.077 -1.062) 4.428 2.243 ( 0.397 -2.789 0.934) 2.968 2.289 ( 3.266 0.592 0.385) 3.341 3.031 ( 5.632 -1.092 5.790) 8.151 3.860 ( 10.718 2.058 27.374) 29.470 3.894 ( -11.273 -3.379 14.209) 18.450 4.007 ( 0.738 -0.712 2.956) 3.129 4.366 ( 13.579 -3.930 0.276) 14.139 5.453 ( 4.226 -0.487 -17.960) 18.457 5.621 ( 0.658 0.765 -2.417) 2.619 5.840 ( 2.044 -0.660 2.974) 3.668 6.184 ( 1.297 -0.210 -0.943) 1.617 6.244 ( -1.678 0.698 0.480) 1.880 6.268 ( 3.715 -0.574 6.638) 7.628 6.710 ( 1.329 0.177 6.271) 6.413 6.802 ( -17.057 3.778 -6.014) 18.477 7.913 ( -2.461 3.520 -0.425) 4.315 8.003 ( -0.111 0.369 4.954) 4.969 8.451 ( 5.826 1.691 2.406) 6.526 10.046 ( 1.982 3.614 2.051) 4.604 10.198 ( 2.116 -1.891 25.360) 25.518 11.014 ( -9.277 -4.099 77.021) 77.686 11.106 ( -2.477 0.376 -15.240) 15.445 11.948 ( -1.425 0.578 9.361) 9.487 12.551 ( -0.730 0.053 -4.934) 4.988 13.060 ( 7.905 -0.016 12.055) 14.416 14.371 ( 1.086 0.136 -6.006) 6.105 16.691 ( -5.611 0.046 2.004) 5.958 17.993 ( -12.605 -4.686 -5.235) 14.431 18.411 ( 6.060 19.330 -14.005) 24.628 19.081 ( -1.170 -3.739 -4.507) 5.971 23.348 ( 3.605 -11.632 -3.264) 12.608 23.962 ( 3.172 1.795 -6.210) 7.200 ======================= Grid point 98 (34/125) ======================= q-point: (-0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 4.966 -4.843 14.347) 15.936 1.652 ( -0.502 6.122 0.084) 6.143 1.833 ( 0.540 -2.092 3.851) 4.415 2.010 ( -2.714 4.303 3.705) 6.293 2.227 ( -4.783 -2.348 1.477) 5.529 2.308 ( -0.448 0.362 1.485) 1.593 3.139 ( 6.353 3.315 5.521) 9.046 3.689 ( -12.864 -4.995 27.730) 30.974 4.046 ( 4.650 1.448 3.646) 6.084 4.072 ( 12.110 3.363 16.836) 21.010 4.453 ( -8.847 -1.557 -2.794) 9.407 5.489 ( -0.156 1.403 -17.721) 17.777 5.608 ( -1.865 -0.228 -3.118) 3.640 5.869 ( -0.011 1.355 -0.347) 1.399 6.158 ( -4.128 -0.626 -0.854) 4.262 6.240 ( 0.426 -0.148 1.260) 1.339 6.297 ( -3.256 -0.275 5.541) 6.433 6.602 ( 2.532 -3.299 -1.377) 4.381 6.711 ( -1.642 -0.085 6.079) 6.297 7.836 ( -3.255 1.081 0.013) 3.430 8.003 ( 0.516 0.444 5.014) 5.060 8.462 ( -2.274 2.408 5.001) 5.998 10.024 ( -1.218 2.632 -6.124) 6.776 10.217 ( -0.888 -0.862 35.404) 35.425 10.952 ( -3.845 -5.990 57.114) 57.556 11.113 ( 2.718 -1.190 -2.656) 3.982 11.927 ( -0.665 -0.156 6.716) 6.751 12.549 ( 0.484 -0.062 -4.698) 4.723 13.065 ( -7.271 0.210 12.378) 14.357 14.367 ( -1.354 0.019 -6.015) 6.165 16.690 ( 5.481 -0.011 1.615) 5.714 17.750 ( -20.488 -9.233 -7.922) 23.828 18.383 ( 7.033 12.348 -10.494) 17.666 19.116 ( 2.472 -1.281 -3.991) 4.866 23.534 ( 7.336 -5.421 -4.788) 10.302 24.011 ( 5.609 4.844 -6.284) 9.717 ======================= Grid point 99 (35/125) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -6.033 12.161 5.059) 14.487 1.658 ( 1.270 -0.565 6.562) 6.708 1.866 ( 0.044 1.169 3.816) 3.991 1.950 ( -3.400 -4.076 3.636) 6.434 2.131 ( -5.792 -0.961 5.392) 7.971 2.258 ( -4.390 1.807 3.028) 5.631 3.181 ( 4.436 8.508 3.880) 10.351 3.520 ( -10.827 -5.125 29.529) 31.866 4.021 ( -23.091 2.532 -1.752) 23.295 4.148 ( 3.699 4.238 1.478) 5.816 4.308 ( 10.768 2.823 18.084) 21.235 5.432 ( -3.534 2.208 -16.705) 17.217 5.556 ( -3.808 -0.512 -2.627) 4.655 5.842 ( -0.380 0.436 2.243) 2.316 6.084 ( -4.023 -1.830 0.132) 4.422 6.194 ( -4.481 0.212 2.295) 5.039 6.276 ( 0.764 -0.451 -0.245) 0.920 6.652 ( -4.273 -0.101 5.504) 6.969 6.833 ( 8.974 -10.252 -5.700) 14.769 7.773 ( -3.753 -1.721 0.691) 4.186 8.012 ( 0.865 0.426 5.070) 5.161 8.334 ( -7.954 2.837 6.587) 10.710 9.934 ( -7.108 0.393 -13.171) 14.972 10.199 ( -0.921 0.833 34.562) 34.584 10.992 ( 1.713 -6.335 41.420) 41.936 11.231 ( 7.667 -4.484 23.461) 25.086 11.927 ( -0.142 -1.619 9.936) 10.068 12.566 ( 0.764 -0.460 -3.475) 3.588 12.821 ( -16.729 0.612 11.891) 20.533 14.327 ( -2.839 -0.188 -6.549) 7.141 16.866 ( 12.193 -0.062 1.978) 12.353 17.440 ( -26.109 -16.272 -9.336) 32.150 18.399 ( 4.893 7.660 -7.574) 11.831 19.198 ( 5.470 0.083 -3.884) 6.710 23.726 ( 10.689 0.835 -6.976) 12.791 24.072 ( 8.392 8.983 -6.634) 13.969 ======================= Grid point 100 (36/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -6.979 14.408 6.985) 17.467 1.550 ( -9.658 6.396 13.272) 17.617 1.774 ( -14.416 5.308 1.263) 15.415 1.866 ( -2.403 -0.678 -0.713) 2.596 2.077 ( -7.834 8.222 7.211) 13.453 2.157 ( 1.266 -7.563 8.808) 11.678 3.141 ( 0.395 9.620 1.759) 9.787 3.366 ( -12.136 -0.702 18.412) 22.063 3.494 ( -19.765 -0.031 11.969) 23.106 4.222 ( 5.805 3.739 0.468) 6.921 4.512 ( 12.621 2.384 15.213) 19.911 5.333 ( -5.122 1.184 -13.472) 14.461 5.512 ( -0.928 -1.291 -1.273) 2.037 5.839 ( -0.141 0.650 3.257) 3.325 6.045 ( -2.836 -0.833 1.246) 3.207 6.112 ( -2.877 -0.210 -2.766) 3.996 6.299 ( 0.795 -0.807 1.322) 1.741 6.561 ( -5.377 -0.318 3.701) 6.535 7.031 ( -1.006 -11.718 -11.373) 16.361 7.735 ( -3.139 -3.855 1.669) 5.244 8.019 ( -0.069 0.792 4.078) 4.155 8.146 ( -7.917 2.847 7.580) 11.325 9.757 ( -11.479 -0.977 -12.119) 16.721 10.171 ( -0.216 2.435 25.592) 25.709 11.115 ( 3.550 -6.536 11.124) 13.382 11.538 ( 16.752 -10.943 56.582) 60.016 11.987 ( 4.423 -8.809 34.057) 35.455 12.435 ( -17.392 -0.197 9.892) 20.010 12.647 ( 2.270 -0.125 2.402) 3.307 14.274 ( -2.880 -0.320 -6.661) 7.264 17.052 ( -12.723 -12.401 -5.665) 18.648 17.150 ( -8.043 -12.318 -0.669) 14.726 18.402 ( 2.280 5.078 -5.410) 7.762 19.307 ( 6.470 0.930 -4.087) 7.709 23.896 ( 9.419 4.116 -9.297) 13.860 24.159 ( 15.080 15.692 -9.418) 23.713 ======================= Grid point 101 (37/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -9.053 14.661 9.408) 19.632 1.129 ( -26.418 10.414 7.324) 29.326 1.382 ( -16.634 12.775 2.127) 21.081 1.653 ( -6.427 15.543 25.397) 30.462 1.970 ( 0.385 1.293 1.988) 2.402 2.270 ( 1.888 -6.782 6.230) 9.401 2.964 ( -9.286 1.538 5.313) 10.808 3.182 ( 0.221 9.768 -5.846) 11.386 3.361 ( -4.399 -4.357 28.110) 28.783 4.272 ( 2.942 2.521 -0.175) 3.879 4.719 ( 11.152 0.889 12.715) 16.936 5.216 ( -7.231 -1.118 -8.590) 11.284 5.553 ( 2.964 -1.508 -0.607) 3.381 5.820 ( -0.315 1.453 3.209) 3.537 5.957 ( -3.959 3.858 -2.454) 6.048 6.141 ( 4.288 -1.294 -2.638) 5.198 6.314 ( -0.496 -1.109 3.023) 3.257 6.477 ( -3.411 -0.417 1.452) 3.730 7.002 ( -12.215 -7.970 -10.067) 17.722 7.739 ( -1.008 -4.795 2.609) 5.551 7.945 ( -4.990 2.360 3.315) 6.439 8.055 ( -0.590 1.154 6.843) 6.964 9.571 ( -8.534 -1.332 -9.331) 12.715 10.145 ( 0.063 2.519 20.116) 20.273 11.232 ( 2.157 -5.961 -6.139) 8.824 11.798 ( 3.306 -1.317 8.658) 9.360 12.148 ( -11.489 0.090 10.450) 15.531 12.485 ( 11.432 -21.766 37.264) 44.643 12.950 ( 36.367 -40.303 107.730) 120.634 14.233 ( -1.818 -0.332 -6.400) 6.661 16.663 ( -43.407 -29.079 -6.013) 52.592 17.296 ( 6.538 -0.691 3.723) 7.555 18.385 ( 0.670 3.649 -3.962) 5.428 19.406 ( 5.002 1.265 -4.470) 6.827 23.971 ( 3.363 4.125 -9.061) 10.509 24.328 ( 22.967 24.598 -22.573) 40.523 ======================= Grid point 102 (38/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 18.342 4.694) 18.933 0.737 ( 0.000 17.241 17.973) 24.905 1.035 ( 0.000 15.207 0.956) 15.238 1.450 ( 0.000 14.672 43.681) 46.079 1.969 ( 0.000 0.304 -0.259) 0.399 2.343 ( -0.000 -3.572 2.680) 4.465 2.869 ( -0.000 -0.280 6.328) 6.335 3.077 ( 0.000 12.586 -8.287) 15.070 3.360 ( -0.000 -3.183 26.553) 26.744 4.283 ( 0.000 1.080 0.257) 1.110 4.857 ( -0.000 -0.430 14.658) 14.664 5.140 ( -0.000 -4.054 -6.753) 7.876 5.605 ( -0.000 -1.524 -0.441) 1.586 5.816 ( 0.000 0.155 2.756) 2.761 5.845 ( 0.000 8.279 -2.249) 8.579 6.228 ( 0.000 1.075 -6.454) 6.543 6.310 ( -0.000 -2.752 4.716) 5.460 6.452 ( 0.000 0.337 0.574) 0.666 6.869 ( -0.000 -2.397 -0.103) 2.399 7.788 ( -0.000 -5.594 3.314) 6.502 7.864 ( 0.000 2.230 3.529) 4.174 8.041 ( 0.000 0.978 5.720) 5.803 9.502 ( -0.000 -1.226 -8.306) 8.396 10.123 ( 0.000 1.852 18.951) 19.042 11.307 ( -0.000 -4.604 -12.086) 12.933 11.825 ( -0.000 -0.163 4.569) 4.572 12.036 ( 0.000 0.152 10.033) 10.034 12.618 ( -0.000 -3.264 -4.237) 5.349 14.217 ( -0.000 -0.223 -6.359) 6.363 14.888 ( -0.000 -179.687 190.737) 262.046 16.108 ( -0.000 -0.233 -12.105) 12.107 17.363 ( -0.000 -0.505 4.258) 4.288 18.360 ( 0.000 2.537 -3.310) 4.170 19.446 ( 0.000 1.884 -5.469) 5.785 23.958 ( 0.000 5.095 -10.698) 11.849 24.313 ( 0.000 40.796 -43.960) 59.973 ======================= Grid point 105 (39/125) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 3.827 0.000 33.370) 33.588 1.452 ( 12.037 0.000 5.766) 13.347 1.971 ( 0.112 0.000 -3.377) 3.379 2.140 ( -0.773 -0.000 -3.930) 4.005 2.195 ( -1.194 -0.000 -0.860) 1.471 2.298 ( 3.181 0.000 -0.774) 3.274 3.023 ( 7.562 0.000 6.866) 10.214 3.847 ( -11.354 -0.000 26.416) 28.753 3.891 ( 10.883 0.000 14.705) 18.295 4.000 ( 2.351 0.000 3.154) 3.934 4.320 ( 13.103 0.000 1.947) 13.247 5.447 ( 5.209 0.000 -17.175) 17.948 5.632 ( -0.116 -0.000 -2.328) 2.331 5.830 ( 2.757 0.000 4.622) 5.382 6.178 ( 0.654 0.000 -1.858) 1.970 6.257 ( -1.917 -0.000 -0.113) 1.921 6.262 ( 3.486 0.000 7.212) 8.011 6.711 ( 1.522 0.000 6.425) 6.603 6.841 ( -18.671 -0.000 -6.700) 19.837 7.953 ( -4.016 -0.000 -0.642) 4.067 8.007 ( 0.021 0.000 5.266) 5.266 8.473 ( 6.347 0.000 -2.282) 6.744 10.114 ( 1.350 0.000 31.895) 31.923 10.154 ( 3.683 0.000 -7.170) 8.061 10.960 ( -12.201 -0.000 83.407) 84.295 11.110 ( -2.805 -0.000 -15.379) 15.632 11.954 ( -1.858 -0.000 10.232) 10.399 12.552 ( -0.739 -0.000 -5.067) 5.121 13.060 ( 8.014 0.000 12.089) 14.504 14.372 ( 1.051 0.000 -5.994) 6.085 16.692 ( -5.639 -0.000 2.096) 6.016 17.946 ( -13.337 -0.000 -4.972) 14.234 18.660 ( -2.106 -0.000 -17.183) 17.311 19.009 ( 1.803 0.000 -2.718) 3.261 23.211 ( 8.480 0.000 -1.586) 8.628 23.982 ( 4.226 0.000 -6.506) 7.758 ======================= Grid point 106 (40/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 5.057 -1.829 24.697) 25.276 1.647 ( 6.781 -2.825 4.910) 8.835 1.929 ( -1.244 7.592 -4.264) 8.796 2.077 ( -3.969 1.720 -2.164) 4.837 2.151 ( -5.557 -4.639 -0.186) 7.241 2.318 ( -0.397 0.392 -0.290) 0.629 3.189 ( 10.139 1.369 6.904) 12.342 3.611 ( -13.006 -2.268 31.030) 33.722 4.079 ( 5.981 1.452 2.947) 6.824 4.117 ( 12.360 1.076 17.685) 21.603 4.403 ( -6.426 -2.316 -2.467) 7.262 5.513 ( 0.977 0.741 -16.790) 16.834 5.606 ( -2.644 0.037 -2.336) 3.528 5.894 ( 2.496 0.830 -0.285) 2.646 6.139 ( -3.995 -0.915 -1.822) 4.486 6.243 ( -0.195 0.392 -0.503) 0.667 6.285 ( -3.106 -0.593 7.343) 7.995 6.566 ( -5.533 -0.645 -0.529) 5.596 6.710 ( -1.727 -0.031 6.378) 6.608 7.866 ( -4.327 1.234 -1.280) 4.678 8.010 ( 0.449 0.200 5.702) 5.723 8.508 ( -1.735 1.561 -0.201) 2.343 10.098 ( -2.161 4.394 1.271) 5.059 10.180 ( -0.686 -2.997 24.982) 25.170 10.842 ( -3.424 -3.706 73.942) 74.113 11.088 ( 0.135 -0.908 -14.203) 14.233 11.927 ( -1.237 0.018 6.812) 6.924 12.548 ( 0.277 -0.033 -4.857) 4.865 13.069 ( -7.052 0.106 12.672) 14.503 14.368 ( -1.467 0.037 -5.994) 6.171 16.690 ( 5.444 0.001 1.520) 5.652 17.634 ( -21.523 -2.709 -7.052) 22.811 18.593 ( 0.196 6.880 -12.786) 14.521 19.081 ( 4.276 -1.623 -3.187) 5.574 23.427 ( 11.902 -3.633 -3.322) 12.880 24.082 ( 7.382 1.885 -6.872) 10.261 ======================= Grid point 107 (41/125) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 3.468 -2.136 16.811) 17.297 1.719 ( -0.538 6.490 0.153) 6.514 1.834 ( 0.386 0.602 0.750) 1.037 1.947 ( -7.464 1.472 0.145) 7.609 2.111 ( -3.568 -2.326 2.114) 4.755 2.282 ( -2.752 0.741 0.231) 2.860 3.331 ( 7.813 5.752 6.908) 11.910 3.424 ( -10.346 -3.930 35.235) 36.932 4.052 ( -20.964 1.309 -1.177) 21.038 4.211 ( 2.952 1.475 1.569) 3.654 4.353 ( 11.264 1.568 17.079) 20.519 5.473 ( -3.322 1.715 -15.521) 15.964 5.544 ( -4.007 -0.702 -2.781) 4.928 5.863 ( -2.338 1.669 1.318) 3.160 6.061 ( -4.665 -0.586 -0.687) 4.752 6.192 ( -3.896 -0.295 1.681) 4.254 6.255 ( -0.391 -1.477 -1.019) 1.836 6.649 ( -2.791 -0.777 5.038) 5.812 6.660 ( 4.656 -5.784 0.490) 7.441 7.778 ( -3.482 1.436 -2.083) 4.304 8.020 ( 0.829 0.244 6.047) 6.109 8.393 ( -7.619 2.678 2.455) 8.441 9.950 ( -9.942 0.932 -10.187) 14.265 10.205 ( 1.210 -0.067 31.531) 31.554 10.876 ( 2.201 -4.639 67.671) 67.865 11.138 ( 2.881 -4.114 -4.251) 6.580 11.906 ( -1.234 -0.566 7.249) 7.375 12.557 ( 0.000 -0.402 -4.055) 4.074 12.832 ( -16.198 0.434 12.508) 20.470 14.324 ( -2.987 -0.070 -6.566) 7.214 16.866 ( 12.233 0.008 1.624) 12.340 17.222 ( -26.942 -6.373 -8.831) 29.060 18.543 ( 1.163 6.048 -8.943) 10.859 19.191 ( 6.221 -0.524 -3.255) 7.041 23.697 ( 13.381 -2.192 -5.657) 14.692 24.212 ( 9.944 4.528 -7.445) 13.221 ======================= Grid point 108 (42/125) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -4.569 13.797 3.672) 14.990 1.623 ( -7.026 1.451 6.247) 9.513 1.817 ( -4.137 -0.635 1.520) 4.453 1.877 ( -0.090 0.656 1.982) 2.090 2.042 ( -4.423 -2.183 7.410) 8.901 2.204 ( -3.293 3.559 2.694) 5.547 3.282 ( -8.521 -1.789 30.673) 31.885 3.353 ( -1.062 6.779 9.238) 11.508 3.533 ( -23.026 2.552 4.762) 23.651 4.286 ( 4.915 2.600 0.765) 5.613 4.554 ( 11.479 1.693 15.607) 19.447 5.370 ( -5.408 2.184 -14.998) 16.093 5.497 ( -0.766 -0.509 -2.662) 2.817 5.838 ( -0.092 -0.521 2.625) 2.677 6.004 ( -2.535 -2.097 -0.198) 3.296 6.122 ( -3.450 0.686 -1.891) 3.994 6.268 ( -0.439 -2.329 0.803) 2.503 6.555 ( -5.624 -0.279 3.328) 6.541 6.810 ( -0.015 -9.461 -3.442) 10.067 7.715 ( -1.744 1.199 -2.519) 3.290 8.034 ( 0.927 0.492 5.832) 5.926 8.204 ( -8.780 2.889 4.464) 10.265 9.735 ( -12.716 -1.272 -10.784) 16.722 10.215 ( 0.844 1.944 24.478) 24.569 10.994 ( 4.326 -4.891 44.169) 44.649 11.307 ( 8.636 -10.778 32.382) 35.205 11.894 ( -1.449 -2.116 11.154) 11.445 12.430 ( -16.271 -0.254 8.626) 18.418 12.643 ( -0.230 -0.165 0.999) 1.039 14.268 ( -2.970 -0.248 -6.721) 7.352 16.775 ( -28.442 -9.139 -9.943) 31.486 17.106 ( 11.778 -0.337 2.187) 11.984 18.507 ( 0.655 4.925 -6.319) 8.039 19.314 ( 6.399 0.031 -3.403) 7.248 23.936 ( 10.695 1.045 -7.748) 13.248 24.371 ( 13.247 5.879 -9.393) 17.271 ======================= Grid point 109 (43/125) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -12.136 14.173 2.431) 18.816 1.367 ( -9.841 12.765 7.545) 17.797 1.622 ( -11.632 10.014 1.469) 15.419 1.840 ( -1.145 2.660 2.528) 3.844 2.041 ( -1.578 0.046 8.040) 8.193 2.137 ( 1.251 -0.635 11.413) 11.499 3.000 ( -13.386 2.166 5.754) 14.731 3.256 ( -4.275 -4.593 36.598) 37.132 3.371 ( 1.564 8.220 -0.046) 8.368 4.320 ( 1.367 2.116 0.235) 2.529 4.737 ( 9.274 0.784 14.015) 16.823 5.236 ( -6.211 2.544 -14.137) 15.649 5.534 ( 3.474 -0.359 -2.028) 4.038 5.834 ( -0.815 0.213 2.594) 2.727 6.002 ( -1.250 -0.289 -3.225) 3.471 6.090 ( 1.890 -2.351 -2.852) 4.151 6.273 ( -2.455 -3.212 2.593) 4.803 6.468 ( -3.319 -0.439 0.582) 3.398 6.833 ( -6.325 -8.053 -3.387) 10.785 7.690 ( -0.359 0.017 -1.951) 1.984 8.005 ( -3.796 3.293 2.263) 5.511 8.072 ( -1.370 0.559 8.141) 8.275 9.537 ( -9.260 -1.998 -9.535) 13.441 10.201 ( 0.331 2.930 19.464) 19.686 11.108 ( 2.194 -5.673 13.441) 14.754 11.681 ( 13.005 -16.285 53.503) 57.419 11.921 ( -0.196 -13.346 40.993) 43.111 12.153 ( -11.425 0.085 10.619) 15.598 12.689 ( 2.816 -3.092 6.761) 7.950 14.226 ( -1.836 -0.350 -6.518) 6.780 16.355 ( -24.847 -7.392 -10.557) 27.990 17.289 ( 7.009 -0.226 2.548) 7.461 18.468 ( 0.158 4.340 -4.697) 6.397 19.415 ( 4.230 0.068 -3.645) 5.584 24.050 ( 4.523 4.142 -8.132) 10.186 24.585 ( 14.232 4.591 -15.582) 21.597 ======================= Grid point 110 (44/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.000 18.030 3.545) 18.375 1.114 ( 0.000 19.295 10.319) 21.881 1.357 ( 0.000 15.089 0.310) 15.092 1.751 ( 0.000 11.789 17.035) 20.717 1.998 ( 0.000 3.495 5.754) 6.732 2.213 ( -0.000 -7.992 9.755) 12.611 2.868 ( 0.000 0.380 6.227) 6.239 3.259 ( -0.000 -2.278 29.103) 29.192 3.314 ( 0.000 6.350 -1.533) 6.533 4.311 ( 0.000 1.602 0.411) 1.654 4.846 ( -0.000 -0.641 15.302) 15.315 5.129 ( 0.000 2.499 -14.460) 14.675 5.582 ( -0.000 -0.714 -1.719) 1.861 5.820 ( 0.000 0.237 2.639) 2.649 5.961 ( 0.000 3.610 -6.591) 7.515 6.206 ( -0.000 -4.010 -6.737) 7.840 6.243 ( -0.000 -3.631 5.058) 6.226 6.450 ( -0.000 -0.580 0.238) 0.627 6.802 ( -0.000 -4.178 -0.170) 4.182 7.699 ( -0.000 -2.337 0.518) 2.394 7.923 ( 0.000 3.483 2.883) 4.522 8.061 ( 0.000 0.879 6.985) 7.040 9.467 ( -0.000 -2.127 -8.443) 8.707 10.173 ( 0.000 3.000 18.140) 18.386 11.189 ( -0.000 -6.493 0.139) 6.494 11.821 ( -0.000 -0.247 4.653) 4.660 12.040 ( 0.000 0.229 10.219) 10.221 12.318 ( -0.000 -39.019 77.367) 86.650 12.859 ( -0.000 -28.720 65.890) 71.877 14.211 ( -0.000 -0.339 -6.401) 6.410 16.102 ( -0.000 -0.345 -12.016) 12.021 17.357 ( -0.000 -0.214 2.976) 2.984 18.428 ( 0.000 4.024 -3.954) 5.642 19.457 ( -0.000 -0.018 -3.954) 3.954 24.042 ( 0.000 4.689 -7.898) 9.185 24.704 ( 0.000 5.990 -25.048) 25.754 ======================= Grid point 115 (45/125) ======================= q-point: (-0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 4.768 0.000 22.514) 23.014 1.731 ( 2.997 0.000 2.688) 4.025 1.944 ( -9.829 -0.000 0.425) 9.838 1.982 ( 0.080 0.000 -5.051) 5.052 2.025 ( -3.333 -0.000 -2.707) 4.294 2.291 ( -2.683 -0.000 -0.707) 2.775 3.380 ( -10.439 -0.000 39.236) 40.601 3.391 ( 9.740 0.000 7.399) 12.232 4.072 ( -24.143 -0.000 -1.358) 24.181 4.217 ( 7.023 0.000 1.924) 7.282 4.369 ( 11.526 0.000 16.941) 20.490 5.492 ( -3.277 -0.000 -14.916) 15.272 5.535 ( -4.255 -0.000 -2.340) 4.856 5.887 ( -3.620 -0.000 0.970) 3.748 6.055 ( -4.272 -0.000 -1.345) 4.478 6.188 ( -3.919 -0.000 1.273) 4.121 6.236 ( -0.842 -0.000 -1.286) 1.537 6.593 ( 5.214 0.000 2.396) 5.738 6.650 ( -4.579 -0.000 5.520) 7.172 7.798 ( -3.292 -0.000 -3.631) 4.901 8.021 ( 0.674 0.000 6.513) 6.547 8.423 ( -7.683 -0.000 0.045) 7.684 9.961 ( -12.308 -0.000 -7.555) 14.442 10.203 ( 2.818 0.000 28.665) 28.803 10.827 ( 3.364 0.000 79.752) 79.823 11.093 ( 1.100 0.000 -16.022) 16.060 11.901 ( -1.513 -0.000 6.776) 6.943 12.553 ( -0.294 -0.000 -4.391) 4.401 12.837 ( -16.028 -0.000 12.776) 20.497 14.324 ( -3.056 -0.000 -6.570) 7.246 16.866 ( 12.319 0.000 1.530) 12.414 17.162 ( -27.007 -0.000 -8.669) 28.364 18.609 ( -0.974 -0.000 -9.639) 9.688 19.184 ( 6.840 0.000 -2.960) 7.453 23.671 ( 15.192 0.000 -5.152) 16.042 24.255 ( 9.743 0.000 -7.542) 12.321 ======================= Grid point 117 (46/125) ======================= q-point: (-0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 3.366 -0.284 18.033) 18.347 1.664 ( -9.818 2.022 2.006) 10.223 1.851 ( 0.448 0.373 -0.130) 0.597 1.888 ( -2.004 6.467 -2.392) 7.181 2.018 ( -4.787 -3.340 -0.387) 5.850 2.228 ( -3.144 -0.116 -1.794) 3.621 3.225 ( -7.587 -1.859 43.609) 44.303 3.497 ( -4.991 5.566 5.871) 9.506 3.559 ( -18.539 -0.495 5.171) 19.253 4.322 ( 4.264 0.919 1.123) 4.504 4.577 ( 10.722 0.565 16.073) 19.329 5.405 ( -5.161 1.051 -14.614) 15.534 5.487 ( -0.186 -0.374 -3.345) 3.371 5.828 ( -1.679 -0.289 2.304) 2.866 5.979 ( -3.994 -0.476 -0.752) 4.091 6.132 ( -2.626 0.302 -1.335) 2.961 6.223 ( -1.389 -1.579 0.873) 2.277 6.551 ( -5.683 -0.096 3.142) 6.495 6.678 ( 1.174 -3.521 0.225) 3.718 7.750 ( -1.192 1.406 -6.208) 6.476 8.036 ( 0.844 -0.134 7.242) 7.292 8.251 ( -9.248 1.416 1.376) 9.456 9.712 ( -13.849 -0.786 -8.299) 16.164 10.244 ( 1.819 0.824 23.010) 23.097 10.937 ( 6.730 -0.934 79.836) 80.124 11.143 ( 2.551 -4.904 -6.603) 8.611 11.871 ( -1.899 -0.440 7.646) 7.890 12.426 ( -15.452 -0.121 7.581) 17.213 12.641 ( -1.600 -0.053 0.862) 1.818 14.265 ( -3.048 -0.085 -6.758) 7.414 16.669 ( -26.270 -2.305 -9.962) 28.190 17.102 ( 12.038 -0.076 1.651) 12.151 18.580 ( -0.780 2.042 -6.961) 7.296 19.313 ( 6.548 -0.046 -3.043) 7.220 23.949 ( 13.665 0.305 -7.479) 15.581 24.432 ( 9.903 1.136 -8.367) 13.014 ======================= Grid point 118 (47/125) ======================= q-point: (-0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -11.173 8.503 2.028) 14.186 1.591 ( -0.353 7.885 9.254) 12.162 1.746 ( -8.398 2.841 1.281) 8.958 1.882 ( -0.976 3.400 1.833) 3.984 1.928 ( -1.252 -5.239 5.189) 7.479 2.201 ( -0.257 0.833 -0.295) 0.920 3.042 ( -14.176 1.599 8.564) 16.639 3.182 ( -5.349 -2.156 42.966) 43.351 3.527 ( 1.556 6.725 6.279) 9.331 4.352 ( 0.506 1.131 0.749) 1.448 4.747 ( 7.799 0.278 15.483) 17.338 5.291 ( -5.016 2.351 -15.168) 16.148 5.538 ( 4.639 0.645 -3.728) 5.986 5.828 ( -0.057 -1.016 2.267) 2.485 5.936 ( -2.031 -4.154 -1.349) 4.816 6.086 ( -1.274 0.785 -3.060) 3.407 6.207 ( -2.999 -2.726 3.960) 5.666 6.461 ( -3.500 -0.242 -0.072) 3.509 6.702 ( -2.554 -4.858 -0.703) 5.533 7.721 ( -0.065 2.282 -7.279) 7.629 8.051 ( 0.112 0.531 6.045) 6.069 8.087 ( -5.417 1.447 4.025) 6.902 9.498 ( -9.607 -1.714 -8.795) 13.137 10.253 ( 0.747 2.078 18.940) 19.068 11.040 ( 3.170 -0.558 39.779) 39.909 11.327 ( 6.567 -14.556 46.820) 49.469 11.840 ( -2.198 -0.930 7.872) 8.226 12.155 ( -11.326 0.098 10.461) 15.418 12.653 ( 0.970 -1.013 -1.127) 1.799 14.220 ( -1.847 -0.215 -6.576) 6.834 16.270 ( -18.056 -2.156 -11.136) 21.324 17.285 ( 7.059 -0.110 1.775) 7.280 18.543 ( -0.451 2.898 -5.321) 6.075 19.415 ( 4.056 -0.045 -3.196) 5.164 24.129 ( 7.079 3.486 -8.772) 11.799 24.604 ( 8.268 -1.185 -10.587) 13.485 ======================= Grid point 119 (48/125) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 14.958 3.120) 15.280 1.467 ( 0.000 15.128 7.634) 16.945 1.582 ( 0.000 6.835 0.558) 6.858 1.855 ( 0.000 1.621 2.390) 2.888 1.993 ( -0.000 -6.651 7.447) 9.985 2.174 ( 0.000 4.159 6.415) 7.645 2.889 ( 0.000 1.677 5.770) 6.009 3.173 ( -0.000 -3.908 43.876) 44.049 3.468 ( 0.000 7.658 2.893) 8.187 4.341 ( 0.000 1.260 0.645) 1.416 4.833 ( -0.000 -0.550 16.097) 16.106 5.201 ( 0.000 3.818 -16.613) 17.046 5.583 ( 0.000 0.988 -2.864) 3.030 5.825 ( 0.000 0.168 2.340) 2.346 5.980 ( -0.000 -3.598 -5.713) 6.752 6.097 ( -0.000 -4.032 -3.364) 5.251 6.181 ( -0.000 -2.277 5.490) 5.944 6.436 ( -0.000 -0.662 -0.795) 1.034 6.713 ( -0.000 -4.430 -0.309) 4.441 7.699 ( 0.000 1.847 -5.781) 6.069 7.993 ( 0.000 3.203 2.190) 3.880 8.069 ( -0.000 -0.148 8.136) 8.137 9.423 ( -0.000 -2.164 -8.568) 8.837 10.234 ( 0.000 2.862 17.559) 17.791 11.085 ( -0.000 -3.137 19.589) 19.839 11.614 ( -0.000 -25.482 81.665) 85.548 11.816 ( -0.000 -0.216 4.749) 4.754 12.044 ( 0.000 0.199 10.425) 10.427 12.682 ( -0.000 -2.613 2.761) 3.801 14.205 ( -0.000 -0.295 -6.448) 6.454 16.096 ( -0.000 -0.291 -11.918) 11.921 17.354 ( -0.000 -0.147 2.055) 2.060 18.507 ( 0.000 3.592 -4.603) 5.838 19.455 ( -0.000 -0.125 -3.394) 3.397 24.145 ( 0.000 5.365 -8.516) 10.065 24.718 ( -0.000 -2.642 -14.364) 14.605 ======================= Grid point 126 (49/125) ======================= q-point: (-0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -7.489 -0.000 2.288) 7.831 1.651 ( 2.261 0.000 18.827) 18.963 1.784 ( -12.734 -0.000 -0.909) 12.766 1.866 ( 0.522 0.000 -1.371) 1.467 1.948 ( -0.516 -0.000 0.940) 1.072 2.185 ( -0.758 -0.000 -5.132) 5.188 3.055 ( -12.026 -0.000 16.041) 20.048 3.167 ( -7.774 -0.000 39.058) 39.824 3.601 ( 1.898 0.000 8.600) 8.807 4.364 ( 0.195 0.000 0.940) 0.960 4.750 ( 7.276 0.000 15.986) 17.564 5.316 ( -4.629 -0.000 -14.918) 15.620 5.548 ( 6.211 0.000 -5.100) 8.036 5.805 ( -0.467 -0.000 2.065) 2.117 5.895 ( -4.744 -0.000 -0.095) 4.745 6.096 ( -1.472 -0.000 -2.384) 2.802 6.179 ( -2.234 -0.000 4.429) 4.960 6.459 ( -3.615 -0.000 -0.273) 3.626 6.651 ( -1.496 -0.000 -0.215) 1.511 7.750 ( 0.057 0.000 -9.438) 9.438 8.049 ( 0.637 0.000 8.489) 8.513 8.107 ( -6.225 -0.000 1.460) 6.394 9.479 ( -9.601 -0.000 -8.353) 12.726 10.275 ( 0.931 0.000 18.963) 18.986 11.074 ( 6.680 0.000 99.302) 99.527 11.142 ( 1.086 0.000 -16.477) 16.513 11.832 ( -1.858 -0.000 6.470) 6.732 12.156 ( -11.269 -0.000 10.452) 15.369 12.643 ( 0.635 0.000 -2.557) 2.635 14.218 ( -1.858 -0.000 -6.596) 6.853 16.250 ( -16.459 -0.000 -11.193) 19.904 17.284 ( 7.068 0.000 1.487) 7.222 18.573 ( -0.717 -0.000 -5.570) 5.616 19.414 ( 4.025 0.000 -3.030) 5.038 24.169 ( 8.681 0.000 -9.341) 12.752 24.584 ( 5.871 0.000 -8.779) 10.561 ======================= Grid point 128 (50/125) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.000 7.862 2.562) 8.269 1.634 ( -0.000 -0.600 1.493) 1.609 1.658 ( 0.000 3.513 15.485) 15.878 1.883 ( -0.000 -2.515 0.575) 2.580 1.919 ( 0.000 4.093 1.967) 4.542 2.194 ( -0.000 -1.768 -4.652) 4.976 2.922 ( 0.000 1.139 5.185) 5.309 3.121 ( -0.000 -1.272 51.003) 51.019 3.596 ( 0.000 4.082 8.171) 9.134 4.358 ( 0.000 0.425 0.849) 0.949 4.825 ( -0.000 -0.218 16.648) 16.650 5.258 ( 0.000 1.565 -15.968) 16.044 5.623 ( 0.000 2.658 -5.830) 6.408 5.827 ( 0.000 0.040 2.004) 2.004 5.839 ( -0.000 -6.636 -0.138) 6.637 6.080 ( 0.000 0.268 -2.902) 2.914 6.155 ( -0.000 -0.510 5.899) 5.921 6.427 ( -0.000 -0.243 -1.635) 1.653 6.644 ( -0.000 -2.061 -0.499) 2.121 7.742 ( 0.000 1.660 -9.876) 10.014 8.040 ( 0.000 1.320 1.753) 2.195 8.059 ( -0.000 -0.602 8.893) 8.913 9.390 ( -0.000 -0.945 -8.632) 8.683 10.277 ( 0.000 1.234 17.682) 17.725 11.089 ( 0.000 3.914 39.528) 39.721 11.250 ( -0.000 -12.501 50.265) 51.796 11.813 ( -0.000 -0.085 4.812) 4.813 12.047 ( 0.000 0.078 10.557) 10.558 12.653 ( -0.000 -0.649 -2.443) 2.528 14.200 ( -0.000 -0.116 -6.478) 6.479 16.092 ( -0.000 -0.112 -11.856) 11.857 17.352 ( -0.000 -0.052 1.497) 1.498 18.559 ( 0.000 1.435 -5.029) 5.230 19.453 ( -0.000 -0.047 -3.090) 3.090 24.236 ( 0.000 3.030 -9.771) 10.230 24.654 ( -0.000 -2.526 -9.682) 10.006 ======================= Grid point 170 (51/125) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 0.000 0.000 9.589) 9.589 0.888 ( 0.000 0.000 0.943) 0.943 1.052 ( 0.000 0.000 25.456) 25.456 1.854 ( 0.000 0.000 0.429) 0.429 2.178 ( 0.000 0.000 24.501) 24.501 2.338 ( 0.000 0.000 0.442) 0.442 2.982 ( 0.000 0.000 3.915) 3.915 3.056 ( 0.000 0.000 11.963) 11.963 4.102 ( 0.000 0.000 41.754) 41.754 4.254 ( 0.000 0.000 -2.569) 2.569 4.992 ( 0.000 0.000 -18.333) 18.333 5.212 ( 0.000 0.000 19.081) 19.081 5.647 ( 0.000 0.000 -0.686) 0.686 5.866 ( 0.000 0.000 1.873) 1.873 5.909 ( 0.000 0.000 11.894) 11.894 6.208 ( 0.000 0.000 9.810) 9.810 6.442 ( 0.000 0.000 -1.160) 1.160 6.477 ( 0.000 0.000 8.936) 8.936 6.890 ( 0.000 0.000 -0.246) 0.246 7.962 ( 0.000 0.000 8.517) 8.517 7.983 ( 0.000 0.000 10.728) 10.728 8.161 ( 0.000 0.000 7.277) 7.277 9.298 ( 0.000 0.000 -12.870) 12.870 10.575 ( 0.000 0.000 26.231) 26.231 10.903 ( 0.000 0.000 -29.708) 29.708 11.961 ( 0.000 0.000 9.053) 9.053 12.305 ( 0.000 0.000 16.568) 16.568 12.481 ( 0.000 0.000 -10.584) 10.584 14.051 ( 0.000 0.000 -9.747) 9.747 15.762 ( 0.000 0.000 -22.698) 22.698 17.431 ( 0.000 0.000 5.598) 5.598 18.200 ( 0.000 0.000 -6.880) 6.880 18.842 ( 0.000 0.000 1.262) 1.262 19.075 ( 0.000 0.000 -1.631) 1.631 23.034 ( 0.000 0.000 1.147) 1.147 23.810 ( 0.000 0.000 -9.468) 9.468 ======================= Grid point 171 (52/125) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 34.299 -0.789 4.635) 34.620 1.084 ( 14.252 -6.883 12.458) 20.142 1.237 ( 19.358 -5.578 7.541) 21.511 1.857 ( 0.385 0.128 0.189) 0.447 2.178 ( -0.532 -1.779 23.603) 23.676 2.331 ( -2.029 -2.082 0.468) 2.945 2.998 ( 0.154 -2.986 4.362) 5.288 3.133 ( 8.547 -0.387 10.459) 13.512 4.100 ( -0.575 -0.601 37.573) 37.582 4.225 ( -3.337 -0.904 -1.717) 3.860 4.874 ( -6.673 2.733 -7.222) 10.206 5.282 ( 3.671 0.970 13.843) 14.355 5.595 ( -2.746 2.657 -1.254) 4.022 5.903 ( 3.186 1.902 4.713) 5.999 5.968 ( 4.474 -3.726 7.741) 9.686 6.154 ( -3.771 -0.076 8.910) 9.675 6.390 ( -2.861 0.076 1.497) 3.230 6.562 ( 6.369 0.669 6.226) 8.932 6.979 ( 7.690 1.775 -2.535) 8.289 7.939 ( -0.022 1.047 9.090) 9.150 8.059 ( 6.130 0.474 10.117) 11.838 8.164 ( -0.143 -1.949 7.289) 7.547 9.377 ( 8.487 1.026 -12.503) 15.146 10.580 ( 0.863 0.365 25.073) 25.090 10.879 ( -2.301 0.263 -28.405) 28.499 11.967 ( 0.696 0.052 9.913) 9.937 12.420 ( 11.820 -0.113 16.309) 20.142 12.469 ( -0.875 0.582 -10.355) 10.408 14.069 ( 2.003 0.159 -9.270) 9.485 15.364 ( -39.957 5.765 14.741) 42.978 17.361 ( -5.821 2.697 6.058) 8.824 18.057 ( -4.797 38.616 3.951) 39.113 18.322 ( -3.832 25.620 1.438) 25.945 19.160 ( -6.756 -12.214 -7.190) 15.701 23.184 ( -3.152 -26.708 -5.457) 27.441 23.807 ( -1.593 -2.380 -9.382) 9.809 ======================= Grid point 172 (53/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 9.141 -2.826 16.099) 18.727 1.630 ( 20.872 -1.240 0.772) 20.923 1.694 ( 19.125 -4.624 1.544) 19.737 1.871 ( 2.106 0.555 -1.035) 2.411 2.216 ( 1.975 -3.507 18.329) 18.766 2.304 ( -2.619 -2.382 2.059) 4.095 3.050 ( 0.991 -5.532 5.954) 8.188 3.411 ( 19.967 -3.350 6.536) 21.275 4.095 ( -0.497 -0.705 27.939) 27.953 4.165 ( -4.527 -2.507 0.088) 5.176 4.762 ( -2.527 1.826 0.150) 3.121 5.275 ( -3.084 0.712 17.341) 17.628 5.529 ( -0.728 3.102 -2.810) 4.249 5.931 ( 1.340 1.646 6.920) 7.238 6.085 ( 2.668 -1.724 2.828) 4.253 6.153 ( 6.092 0.585 7.020) 9.313 6.336 ( -2.604 0.763 0.664) 2.793 6.680 ( 6.745 0.550 6.773) 9.575 7.045 ( 1.365 4.140 -2.846) 5.206 7.938 ( 1.737 2.612 8.441) 9.006 8.128 ( 1.334 0.946 7.273) 7.455 8.266 ( 7.997 -4.640 10.775) 14.198 9.555 ( 11.693 3.126 -12.243) 17.216 10.604 ( 2.125 0.144 19.877) 19.990 10.822 ( -3.513 -0.347 -23.072) 23.341 11.988 ( 1.659 0.104 11.916) 12.031 12.439 ( -1.240 0.899 -9.465) 9.588 12.718 ( 18.739 -0.315 15.102) 24.069 14.119 ( 3.051 0.814 -5.879) 6.673 14.360 ( -47.686 14.593 74.579) 89.716 17.184 ( -10.120 2.414 5.647) 11.837 17.643 ( 10.868 41.707 -7.420) 43.734 18.197 ( -4.892 -0.542 -8.520) 9.839 19.106 ( -7.472 -5.684 -9.617) 13.440 23.342 ( -6.524 -22.632 -7.701) 24.780 23.800 ( -2.147 -3.284 -9.245) 10.043 ======================= Grid point 173 (54/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 8.057 -2.477 11.807) 14.507 1.781 ( 0.194 1.500 1.830) 2.374 1.930 ( 3.732 -0.348 4.301) 5.704 1.996 ( 8.955 -0.017 -0.823) 8.993 2.241 ( -0.350 -0.546 3.186) 3.252 2.357 ( 3.451 -3.329 9.828) 10.935 3.139 ( 1.829 -6.168 7.878) 10.171 3.898 ( 23.555 -6.605 0.829) 24.477 4.098 ( -0.858 -1.190 13.350) 13.431 4.117 ( -1.531 -1.658 8.579) 8.871 4.737 ( 0.477 0.991 7.973) 8.049 5.192 ( -4.807 -0.745 15.066) 15.831 5.510 ( 1.200 2.051 -4.883) 5.430 5.919 ( -1.029 1.003 6.408) 6.567 6.132 ( 3.037 1.481 0.381) 3.400 6.280 ( -2.307 0.634 -0.041) 2.393 6.302 ( 9.110 0.943 7.738) 11.990 6.789 ( 5.041 0.169 7.320) 8.890 6.942 ( -7.175 4.572 1.854) 8.708 7.946 ( 1.702 2.376 8.830) 9.301 8.128 ( -0.242 0.454 6.997) 7.016 8.478 ( 8.850 -3.663 11.477) 14.948 9.710 ( 8.458 4.452 -12.232) 15.523 10.649 ( 2.497 0.969 -0.520) 2.729 10.776 ( -2.280 -2.564 -3.139) 4.650 12.028 ( 2.759 0.040 12.762) 13.057 12.413 ( -0.580 0.531 -7.733) 7.773 13.063 ( 16.136 0.117 13.050) 20.753 13.464 ( -31.134 10.449 94.145) 99.709 14.213 ( 5.423 0.177 -1.949) 5.765 16.946 ( -12.839 0.851 5.404) 13.956 17.585 ( 17.026 26.017 -19.429) 36.664 18.092 ( -9.072 -4.179 -10.425) 14.438 19.023 ( -5.552 -2.818 -11.251) 12.859 23.407 ( -5.303 -13.465 -6.785) 15.983 23.793 ( -1.739 -2.664 -9.109) 9.649 ======================= Grid point 174 (55/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 6.152 -2.777 7.675) 10.221 1.719 ( -3.836 2.937 3.378) 5.895 1.976 ( 0.974 -0.764 4.883) 5.038 2.056 ( 0.347 0.857 1.141) 1.469 2.272 ( 1.910 -0.002 0.545) 1.986 2.419 ( 0.893 -0.987 8.383) 8.488 3.218 ( 1.063 -2.927 9.029) 9.551 4.063 ( -1.957 -1.466 1.197) 2.722 4.090 ( 0.429 0.234 9.399) 9.412 4.378 ( 14.412 -4.750 4.470) 15.819 4.712 ( -2.215 2.284 21.924) 22.154 5.136 ( -2.056 -1.188 2.335) 3.330 5.523 ( 1.112 0.474 -5.776) 5.901 5.882 ( -1.230 1.013 2.714) 3.147 6.167 ( 1.720 0.812 -0.395) 1.942 6.246 ( -0.979 -0.080 -0.072) 0.985 6.466 ( 8.882 0.415 10.883) 14.054 6.729 ( -9.868 2.522 7.235) 12.494 6.855 ( 1.840 0.017 7.868) 8.081 7.952 ( 0.691 0.911 9.800) 9.866 8.118 ( -0.288 0.186 7.112) 7.120 8.626 ( 3.648 -1.388 11.656) 12.292 9.778 ( 2.758 2.171 -12.144) 12.641 10.658 ( 0.199 0.966 -26.255) 26.273 10.792 ( 0.372 -1.944 21.969) 22.058 12.078 ( 1.929 -0.067 9.275) 9.474 12.413 ( 0.627 -0.063 -6.966) 6.994 12.963 ( -11.622 3.952 99.704) 100.457 13.304 ( 5.881 -0.243 8.838) 10.619 14.304 ( 3.391 0.056 4.474) 5.614 16.747 ( -6.294 0.348 3.887) 7.406 17.688 ( 12.614 12.454 -24.456) 30.204 17.957 ( -9.439 -5.598 -9.480) 14.501 18.969 ( -2.039 -0.879 -11.910) 12.115 23.427 ( -1.948 -4.434 -6.081) 7.774 23.789 ( -0.666 -1.011 -9.005) 9.086 ======================= Grid point 180 (56/125) ======================= q-point: ( 0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 10.378 0.000 18.250) 20.994 1.619 ( 22.946 0.000 1.146) 22.974 1.642 ( 23.126 0.000 0.855) 23.142 1.879 ( 2.659 0.000 -1.637) 3.122 2.173 ( 2.066 0.000 23.637) 23.727 2.270 ( -3.264 -0.000 0.122) 3.266 2.998 ( 1.624 0.000 5.436) 5.673 3.377 ( 18.404 0.000 6.708) 19.588 4.088 ( -0.326 -0.000 26.638) 26.640 4.139 ( -4.728 -0.000 0.324) 4.739 4.785 ( -3.395 -0.000 2.801) 4.402 5.284 ( -3.719 -0.000 15.078) 15.530 5.565 ( -1.560 -0.000 -3.532) 3.861 5.974 ( -0.100 -0.000 10.943) 10.944 6.034 ( 5.740 0.000 1.438) 5.917 6.160 ( 5.770 0.000 7.705) 9.626 6.345 ( -2.259 -0.000 0.741) 2.378 6.686 ( 6.441 0.000 6.674) 9.276 7.089 ( 1.330 0.000 -4.153) 4.361 7.975 ( 2.559 0.000 5.423) 5.997 8.139 ( -0.675 -0.000 6.511) 6.546 8.207 ( 9.250 0.000 11.728) 14.937 9.592 ( 12.964 0.000 -11.614) 17.406 10.602 ( 1.365 0.000 26.379) 26.414 10.820 ( -4.036 -0.000 -29.256) 29.534 11.989 ( 1.653 0.000 12.213) 12.324 12.449 ( -1.489 -0.000 -10.243) 10.351 12.716 ( 18.860 0.000 15.065) 24.138 14.126 ( 3.951 0.000 -7.276) 8.279 14.506 ( -51.563 -0.000 66.363) 84.040 17.202 ( -11.693 -0.000 6.642) 13.448 18.080 ( -4.240 -0.000 -8.839) 9.804 18.354 ( -10.055 -0.000 -16.260) 19.118 18.973 ( -4.128 -0.000 -5.312) 6.728 23.044 ( 1.157 0.000 0.945) 1.494 23.772 ( -0.968 -0.000 -9.575) 9.624 ======================= Grid point 181 (57/125) ======================= q-point: ( 0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 10.349 0.279 13.503) 17.015 1.800 ( 1.909 0.285 5.059) 5.415 1.942 ( 3.243 1.391 3.473) 4.951 1.991 ( 11.301 -0.576 -1.065) 11.366 2.216 ( -1.869 -1.385 0.911) 2.498 2.281 ( 5.436 -2.845 13.061) 14.431 3.062 ( 4.351 -1.705 7.152) 8.544 3.794 ( 22.240 -3.015 0.686) 22.454 4.074 ( -2.241 -0.838 3.017) 3.850 4.097 ( 1.809 -0.446 17.889) 17.986 4.761 ( 1.106 0.926 10.071) 10.173 5.184 ( -5.884 -0.115 14.185) 15.358 5.545 ( 0.060 1.145 -5.202) 5.327 5.947 ( -1.005 1.395 8.460) 8.633 6.128 ( 3.031 -1.191 0.422) 3.284 6.297 ( -2.143 0.832 0.665) 2.393 6.313 ( 8.883 0.181 9.080) 12.704 6.793 ( 4.865 0.124 7.125) 8.628 7.009 ( -8.360 1.850 -0.872) 8.606 8.000 ( 1.137 2.352 4.721) 5.395 8.134 ( -0.173 -0.191 6.702) 6.707 8.404 ( 9.527 -2.647 10.800) 14.642 9.806 ( 10.570 3.586 -11.157) 15.782 10.638 ( 2.055 -1.381 23.305) 23.436 10.741 ( -4.305 -0.555 -26.158) 26.515 12.030 ( 2.732 0.049 14.372) 14.629 12.421 ( -1.230 0.185 -9.629) 9.709 13.064 ( 17.012 0.050 11.676) 20.634 13.612 ( -39.484 3.881 92.583) 100.726 14.215 ( 5.460 0.049 -2.235) 5.900 16.959 ( -13.275 0.343 6.103) 14.615 18.002 ( -2.338 2.565 -8.807) 9.466 18.120 ( -4.586 14.806 -25.181) 29.569 18.937 ( -3.609 -4.849 -9.256) 11.055 23.137 ( 1.893 -9.701 -0.900) 9.925 23.770 ( 0.588 -0.330 -9.742) 9.765 ======================= Grid point 182 (58/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 7.656 1.194 9.846) 12.529 1.789 ( -1.221 3.293 1.425) 3.790 1.956 ( 0.142 -0.650 9.050) 9.075 2.073 ( -0.181 0.683 -0.848) 1.103 2.240 ( 0.306 -3.120 -0.210) 3.142 2.375 ( 1.703 -2.438 9.320) 9.783 3.181 ( 6.438 -0.864 8.510) 10.706 4.025 ( 0.452 -1.730 2.681) 3.223 4.088 ( 1.790 -0.769 4.966) 5.335 4.289 ( 14.802 -3.337 8.268) 17.280 4.769 ( -0.159 2.685 22.529) 22.689 5.114 ( -1.047 -0.910 1.437) 1.997 5.539 ( 0.196 0.993 -5.983) 6.068 5.913 ( -1.047 1.803 4.974) 5.393 6.165 ( -0.363 -1.260 -0.797) 1.535 6.246 ( -1.687 0.548 0.212) 1.787 6.472 ( 7.542 0.185 12.213) 14.355 6.779 ( -12.500 2.125 4.373) 13.413 6.857 ( 1.880 0.101 7.709) 7.936 7.981 ( -0.674 1.783 7.296) 7.541 8.131 ( 0.156 0.686 7.324) 7.358 8.571 ( 4.417 -3.296 9.569) 11.043 9.881 ( 3.146 6.740 -10.846) 13.152 10.669 ( -2.032 0.178 -28.333) 28.407 10.718 ( 1.286 -4.714 24.396) 24.881 12.081 ( 2.318 0.213 12.147) 12.368 12.408 ( -0.094 -0.355 -8.564) 8.572 13.018 ( -19.909 1.622 99.744) 101.724 13.300 ( 6.559 -0.195 7.925) 10.289 14.306 ( 3.403 0.149 4.390) 5.556 16.754 ( -6.869 0.278 4.250) 8.082 17.810 ( -16.762 -1.602 -16.306) 23.440 18.038 ( 9.383 13.289 -19.471) 25.372 18.932 ( -0.714 -2.642 -11.227) 11.556 23.279 ( 3.466 -8.304 -3.048) 9.501 23.798 ( 2.698 1.032 -9.805) 10.222 ======================= Grid point 183 (59/125) ======================= q-point: (-0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.043 2.528 3.533) 4.345 1.693 ( 1.074 4.128 5.877) 7.262 1.974 ( 0.145 -1.229 6.254) 6.375 2.045 ( -2.079 -0.129 0.959) 2.293 2.241 ( -3.267 -3.157 0.397) 4.561 2.404 ( -0.850 -2.033 8.451) 8.734 3.288 ( 5.747 3.700 8.515) 10.919 4.049 ( 0.938 -1.735 5.559) 5.898 4.116 ( 2.165 1.972 6.585) 7.207 4.427 ( -7.617 -0.459 1.612) 7.799 4.711 ( 0.856 2.219 26.731) 26.837 5.157 ( 4.010 0.815 -0.747) 4.159 5.521 ( -1.774 0.245 -5.642) 5.920 5.882 ( 0.095 1.145 1.826) 2.157 6.145 ( -3.115 -1.476 -0.380) 3.468 6.235 ( 0.022 -1.030 -0.911) 1.375 6.458 ( -10.632 -0.292 9.912) 14.538 6.690 ( 6.253 -1.291 10.249) 12.075 6.857 ( -1.794 0.183 7.994) 8.195 7.945 ( -1.946 0.181 10.137) 10.323 8.129 ( 0.731 1.139 7.267) 7.392 8.614 ( -2.899 -2.233 9.983) 10.632 9.813 ( -3.451 5.013 -11.789) 13.267 10.635 ( -1.930 -1.145 -22.306) 22.418 10.783 ( 0.805 -2.816 17.792) 18.032 12.085 ( -1.720 0.535 8.547) 8.735 12.410 ( -0.648 -0.322 -7.028) 7.065 12.869 ( 2.723 -5.005 102.183) 102.342 13.309 ( -5.522 0.248 7.847) 9.599 14.304 ( -3.463 0.129 4.691) 5.832 16.741 ( 5.670 -0.224 3.538) 6.686 17.490 ( -21.710 -6.858 -19.205) 29.786 18.111 ( 9.448 8.705 -15.268) 19.954 18.969 ( 2.979 -0.683 -11.668) 12.061 23.425 ( 5.994 -3.408 -5.319) 8.708 23.845 ( 4.822 3.674 -9.892) 11.602 ======================= Grid point 184 (60/125) ======================= q-point: (-0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -5.373 7.279 6.750) 11.288 1.757 ( 1.400 -0.606 2.962) 3.332 1.945 ( -3.986 0.787 2.707) 4.882 1.994 ( -5.219 -0.355 1.345) 5.401 2.222 ( -0.472 -2.661 3.398) 4.342 2.381 ( -3.231 -0.841 8.965) 9.567 3.300 ( 2.564 9.344 7.326) 12.147 4.006 ( -19.111 2.863 0.810) 19.341 4.114 ( -2.861 0.750 23.396) 23.582 4.174 ( 2.910 4.181 0.973) 5.186 4.738 ( 1.327 1.176 7.832) 8.030 5.215 ( 3.670 1.522 13.936) 14.491 5.476 ( -2.765 -1.134 -5.410) 6.181 5.904 ( 1.861 -0.591 4.925) 5.298 6.089 ( -4.208 -2.126 0.427) 4.734 6.260 ( 1.150 -1.627 -1.144) 2.297 6.277 ( -9.043 -1.550 5.384) 10.638 6.788 ( -5.207 0.081 7.600) 9.213 6.845 ( 5.209 -4.653 6.715) 9.688 7.910 ( -2.243 -1.234 12.011) 12.281 8.133 ( 0.637 1.067 6.782) 6.895 8.516 ( -8.263 -0.063 11.064) 13.809 9.673 ( -8.200 0.956 -13.272) 15.630 10.614 ( -2.143 -1.874 -9.711) 10.120 10.806 ( 0.610 -0.238 5.416) 5.455 12.030 ( -2.991 0.164 11.188) 11.582 12.403 ( 0.019 -0.327 -5.350) 5.360 13.051 ( -10.419 -1.841 27.726) 29.676 13.233 ( 15.094 -10.997 82.173) 84.268 14.209 ( -5.669 -0.153 -1.818) 5.955 16.928 ( 11.423 -0.945 3.943) 12.121 17.165 ( -23.794 -15.268 -17.750) 33.381 18.196 ( 7.135 5.841 -12.142) 15.246 19.054 ( 5.935 0.628 -11.402) 12.870 23.564 ( 8.141 2.373 -8.219) 11.809 23.899 ( 6.623 7.080 -10.197) 14.070 ======================= Grid point 185 (61/125) ======================= q-point: (-0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -6.725 7.493 10.632) 14.643 1.661 ( -14.527 1.708 1.217) 14.678 1.807 ( -12.475 6.040 1.076) 13.902 1.867 ( -1.442 0.366 0.665) 1.630 2.266 ( 0.815 0.233 7.145) 7.195 2.322 ( -1.129 -0.696 9.595) 9.686 3.219 ( 0.221 10.828 5.967) 12.365 3.502 ( -22.426 5.541 6.443) 23.982 4.112 ( 1.049 0.845 30.966) 30.996 4.228 ( 4.335 3.518 -0.402) 5.597 4.741 ( 1.010 0.399 -4.317) 4.452 5.265 ( 1.824 -0.159 20.967) 21.047 5.465 ( -0.158 -2.913 -3.365) 4.454 5.920 ( -0.932 0.213 6.136) 6.210 6.067 ( -0.699 -2.997 1.486) 3.418 6.141 ( -6.362 -0.730 4.545) 7.853 6.314 ( 2.508 -1.706 -0.310) 3.049 6.669 ( -7.426 -0.484 7.021) 10.231 6.939 ( -1.428 -5.994 0.946) 6.234 7.892 ( -1.344 -2.011 12.949) 13.173 8.121 ( -1.377 0.663 6.369) 6.549 8.343 ( -7.912 2.365 11.317) 14.009 9.500 ( -10.488 -1.809 -13.568) 17.244 10.587 ( -2.353 -1.378 6.676) 7.212 10.830 ( 1.968 0.014 -10.651) 10.831 11.985 ( -1.711 -0.125 11.320) 11.449 12.418 ( 0.682 -1.041 -7.216) 7.323 12.730 ( -18.257 0.915 15.442) 23.930 13.923 ( 34.382 -24.139 87.805) 97.337 14.127 ( -2.113 -1.536 -2.174) 3.398 16.851 ( -27.182 -25.973 -11.315) 39.263 17.206 ( 10.846 -2.891 5.268) 12.399 18.252 ( 4.121 3.937 -9.402) 10.994 19.168 ( 7.016 1.366 -10.493) 12.696 23.669 ( 8.230 7.816 -11.858) 16.414 23.947 ( 8.134 11.236 -11.395) 17.951 ======================= Grid point 186 (62/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -21.951 7.645 6.761) 24.208 1.273 ( -11.850 10.816 8.527) 18.169 1.421 ( -16.512 11.634 3.894) 20.571 1.857 ( -0.083 0.276 0.073) 0.297 2.230 ( -0.366 2.683 16.572) 16.792 2.367 ( 2.301 0.023 3.451) 4.148 3.111 ( -2.536 5.744 7.602) 9.860 3.167 ( -7.415 5.807 6.493) 11.439 4.122 ( 1.083 1.527 40.045) 40.089 4.259 ( 2.343 2.369 -1.675) 3.729 4.795 ( 3.142 -3.826 -11.481) 12.503 5.258 ( -3.070 -0.980 19.061) 19.331 5.528 ( 2.777 -3.281 -1.798) 4.660 5.887 ( -1.919 -0.117 3.100) 3.648 6.019 ( -3.928 1.101 5.208) 6.615 6.146 ( 3.833 -1.162 7.779) 8.750 6.380 ( 2.944 -1.175 1.675) 3.585 6.539 ( -7.001 -1.395 5.915) 9.271 6.913 ( -6.238 -4.546 -1.027) 7.787 7.904 ( 0.474 -2.228 12.792) 12.993 8.054 ( -4.873 0.451 7.934) 9.322 8.221 ( -1.973 3.121 9.129) 9.848 9.343 ( -7.668 -2.111 -13.059) 15.291 10.565 ( -1.226 -1.114 16.676) 16.758 10.871 ( 1.768 -0.611 -20.476) 20.561 11.965 ( -0.678 -0.131 9.866) 9.890 12.417 ( -8.486 -0.752 10.841) 13.787 12.459 ( -2.582 0.093 -3.609) 4.439 14.064 ( -1.904 -0.403 -9.220) 9.423 15.041 ( 48.124 -30.749 55.965) 79.959 16.669 ( -31.302 -52.973 15.980) 63.571 17.403 ( 6.477 -3.222 7.170) 10.185 18.272 ( 1.665 2.577 -7.225) 7.850 19.272 ( 5.394 1.770 -9.178) 10.792 23.696 ( 5.714 13.866 -15.918) 21.870 23.960 ( 6.841 15.420 -13.930) 21.877 ======================= Grid point 187 (63/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 15.941 7.350) 17.554 1.051 ( 0.000 14.216 0.287) 14.219 1.143 ( 0.000 8.401 21.406) 22.996 1.854 ( 0.000 0.109 0.221) 0.246 2.205 ( 0.000 2.338 20.550) 20.683 2.376 ( 0.000 2.410 1.389) 2.781 3.048 ( 0.000 7.022 3.207) 7.719 3.053 ( -0.000 -0.266 12.008) 12.011 4.117 ( 0.000 1.428 43.451) 43.474 4.266 ( 0.000 1.175 -2.547) 2.804 4.903 ( -0.000 -7.295 -17.215) 18.696 5.213 ( 0.000 0.112 19.348) 19.349 5.595 ( -0.000 -3.521 -0.389) 3.542 5.866 ( -0.000 -0.021 1.757) 1.757 5.959 ( 0.000 3.067 8.289) 8.838 6.206 ( -0.000 -0.354 9.102) 9.109 6.448 ( 0.000 0.193 -1.304) 1.318 6.454 ( -0.000 -2.250 9.300) 9.568 6.867 ( -0.000 -2.345 -0.140) 2.350 7.950 ( -0.000 -2.897 12.652) 12.979 7.977 ( 0.000 1.448 7.963) 8.094 8.183 ( 0.000 2.045 7.804) 8.067 9.284 ( -0.000 -1.351 -12.935) 13.005 10.565 ( -0.000 -0.970 21.983) 22.004 10.896 ( -0.000 -0.688 -25.623) 25.633 11.960 ( -0.000 -0.087 9.094) 9.094 12.309 ( 0.000 0.311 16.647) 16.649 12.469 ( -0.000 -1.125 -10.157) 10.219 14.049 ( -0.000 -0.256 -9.760) 9.763 15.760 ( -0.000 -0.138 -22.637) 22.638 17.091 ( -0.000 -85.953 52.384) 100.658 17.535 ( -0.000 -20.760 17.922) 27.426 18.270 ( 0.000 0.477 -5.367) 5.388 19.306 ( 0.000 3.474 -8.397) 9.087 23.554 ( 0.000 29.278 -19.149) 34.985 23.884 ( 0.000 10.148 -11.395) 15.258 ======================= Grid point 190 (64/125) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 8.404 0.000 8.765) 12.142 1.818 ( 0.482 0.000 5.448) 5.469 1.963 ( -0.275 -0.000 8.092) 8.097 2.078 ( -1.156 -0.000 -1.495) 1.889 2.190 ( -0.358 -0.000 0.872) 0.942 2.350 ( 2.418 0.000 8.495) 8.833 3.174 ( 8.219 0.000 7.958) 11.441 4.006 ( 2.491 0.000 2.176) 3.307 4.075 ( 2.738 0.000 3.958) 4.813 4.257 ( 13.419 0.000 9.890) 16.669 4.798 ( 0.631 0.000 24.446) 24.455 5.104 ( -0.829 -0.000 -0.077) 0.833 5.551 ( -0.216 -0.000 -6.210) 6.213 5.936 ( -0.713 -0.000 6.847) 6.884 6.143 ( -1.009 -0.000 -1.372) 1.703 6.256 ( -2.289 -0.000 -0.005) 2.289 6.473 ( 7.122 0.000 12.772) 14.624 6.802 ( -13.482 -0.000 3.322) 13.885 6.858 ( 1.977 0.000 7.627) 7.879 8.005 ( -1.691 -0.000 5.980) 6.215 8.137 ( 0.620 0.000 7.038) 7.066 8.532 ( 4.934 0.000 8.342) 9.692 9.967 ( 3.511 0.000 -11.123) 11.664 10.657 ( 1.187 0.000 25.799) 25.826 10.670 ( -2.763 -0.000 -28.683) 28.816 12.083 ( 2.553 0.000 13.898) 14.130 12.404 ( -0.513 -0.000 -9.581) 9.595 13.033 ( -23.433 -0.000 100.534) 103.229 13.297 ( 7.069 0.000 6.805) 9.812 14.308 ( 3.433 0.000 4.386) 5.570 16.757 ( -7.102 -0.000 4.404) 8.356 17.787 ( -17.101 -0.000 -12.267) 21.046 18.206 ( 3.085 0.000 -25.999) 26.182 18.894 ( 1.010 0.000 -9.837) 9.889 23.182 ( 6.887 0.000 -0.876) 6.942 23.810 ( 3.726 0.000 -10.284) 10.938 ======================= Grid point 191 (65/125) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 4.616 1.836 5.627) 7.506 1.813 ( 0.012 3.730 1.197) 3.917 1.949 ( -0.179 0.347 10.823) 10.830 2.043 ( -2.673 -0.644 -0.454) 2.787 2.155 ( -5.026 -4.258 1.361) 6.726 2.369 ( -0.737 -0.992 7.515) 7.616 3.345 ( 10.163 1.609 8.192) 13.153 4.022 ( 0.110 -0.728 7.918) 7.952 4.151 ( 4.845 1.217 4.260) 6.566 4.391 ( -3.098 -1.820 2.044) 4.134 4.760 ( -1.160 1.699 31.676) 31.743 5.168 ( 5.688 0.339 -5.375) 7.833 5.528 ( -2.304 0.304 -5.870) 6.313 5.918 ( -0.402 1.733 2.849) 3.359 6.106 ( -3.370 -1.859 -1.160) 4.020 6.219 ( -1.582 -0.387 -1.626) 2.301 6.455 ( -11.555 -0.062 9.854) 15.186 6.676 ( 3.564 -0.264 11.599) 12.137 6.861 ( -1.755 0.104 8.103) 8.291 7.955 ( -2.970 0.484 9.077) 9.563 8.150 ( 1.093 0.662 7.655) 7.761 8.568 ( -2.117 -1.603 6.788) 7.288 9.921 ( -5.479 4.044 -11.323) 13.213 10.630 ( -1.236 1.095 -18.589) 18.662 10.701 ( 0.869 -4.410 14.562) 15.240 12.095 ( -1.674 0.368 9.554) 9.706 12.404 ( 0.220 -0.176 -8.963) 8.968 12.789 ( -3.215 -2.404 105.229) 105.306 13.313 ( -5.298 0.127 6.847) 8.658 14.307 ( -3.544 0.101 4.919) 6.063 16.738 ( 5.281 -0.072 3.344) 6.252 17.407 ( -24.162 -1.851 -16.660) 29.408 18.257 ( 5.158 4.604 -19.399) 20.594 18.951 ( 4.303 -0.788 -10.954) 11.795 23.354 ( 9.629 -2.476 -3.343) 10.489 23.901 ( 6.602 1.499 -10.849) 12.788 ======================= Grid point 192 (66/125) ======================= q-point: (-0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -2.268 8.528 1.220) 8.909 1.770 ( 1.034 2.425 3.883) 4.693 1.954 ( -5.216 0.124 1.471) 5.421 1.973 ( -0.590 -1.747 7.530) 7.752 2.136 ( -2.150 -5.802 2.113) 6.538 2.347 ( -3.103 -1.837 8.246) 9.000 3.475 ( 7.393 7.286 7.403) 12.750 4.010 ( -8.423 -1.268 4.679) 9.718 4.141 ( -9.165 1.823 20.400) 22.438 4.248 ( 1.456 2.209 2.079) 3.365 4.773 ( 2.658 1.875 10.408) 10.904 5.246 ( 3.238 1.351 10.509) 11.079 5.463 ( -4.059 -0.287 -5.493) 6.836 5.905 ( 1.018 0.859 3.325) 3.582 6.053 ( -4.480 -1.669 0.137) 4.782 6.219 ( 0.280 -2.196 -2.557) 3.383 6.249 ( -9.499 -1.070 5.086) 10.828 6.771 ( 3.418 -2.571 10.863) 11.674 6.791 ( -5.521 0.115 8.059) 9.770 7.897 ( -2.792 -0.143 11.974) 12.296 8.162 ( 1.251 1.495 7.626) 7.871 8.490 ( -7.684 -1.867 7.343) 10.791 9.726 ( -10.695 3.276 -12.295) 16.621 10.599 ( -1.105 0.852 -9.598) 9.699 10.758 ( 0.412 -4.304 4.588) 6.305 12.034 ( -3.449 0.253 10.857) 11.395 12.406 ( 0.339 0.626 -5.921) 5.964 12.934 ( 9.364 -8.001 93.638) 94.444 13.122 ( -12.359 -1.111 19.255) 22.907 14.207 ( -5.979 -0.027 -1.694) 6.214 16.911 ( 3.960 -0.689 -0.597) 4.064 16.966 ( -19.124 -5.548 -13.361) 23.980 18.304 ( 4.601 4.455 -14.315) 15.682 19.058 ( 6.457 -0.084 -11.207) 12.934 23.565 ( 10.675 -0.981 -6.677) 12.629 24.016 ( 8.597 4.015 -11.603) 14.989 ======================= Grid point 193 (67/125) ======================= q-point: (-0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -4.904 10.923 4.707) 12.865 1.694 ( -8.609 1.580 1.532) 8.886 1.870 ( -2.119 1.071 2.106) 3.174 1.926 ( -5.035 4.122 1.637) 6.710 2.196 ( 1.794 -6.466 5.446) 8.642 2.297 ( -3.734 -1.898 10.249) 11.072 3.442 ( -3.125 10.585 6.123) 12.622 3.616 ( -18.451 5.370 7.061) 20.472 4.122 ( 1.929 -0.003 33.307) 33.363 4.295 ( 3.865 2.979 -0.433) 4.900 4.780 ( 0.790 2.897 -6.222) 6.909 5.270 ( 0.535 0.598 22.212) 22.227 5.419 ( -0.824 -1.685 -4.943) 5.287 5.925 ( -0.195 0.053 7.658) 7.660 6.000 ( -1.932 -2.992 0.343) 3.578 6.125 ( -4.925 -0.725 1.476) 5.192 6.267 ( 1.974 -2.819 -1.434) 3.729 6.662 ( -8.087 -0.230 7.363) 10.939 6.827 ( -1.692 -4.873 5.452) 7.506 7.861 ( -1.576 -0.971 14.175) 14.295 8.156 ( -0.468 2.472 6.274) 6.760 8.352 ( -7.587 -1.235 9.644) 12.333 9.490 ( -11.941 0.494 -13.376) 17.937 10.570 ( -1.311 0.313 -0.303) 1.381 10.804 ( 0.864 -2.865 -5.037) 5.859 11.983 ( -1.853 -0.064 11.010) 11.165 12.408 ( 0.344 0.249 -5.165) 5.182 12.755 ( -17.335 1.588 16.759) 24.164 13.442 ( 21.626 -21.620 98.906) 103.525 14.113 ( -4.126 -0.387 -6.859) 8.013 16.501 ( -28.893 -10.266 -16.728) 34.929 17.173 ( 12.010 -1.113 4.782) 12.975 18.333 ( 2.888 3.808 -10.766) 11.779 19.182 ( 6.700 0.320 -10.806) 12.718 23.748 ( 8.864 1.952 -9.989) 13.497 24.136 ( 9.838 6.517 -13.376) 17.837 ======================= Grid point 194 (68/125) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -14.182 11.245 5.086) 18.800 1.483 ( -5.165 9.846 5.377) 12.351 1.649 ( -12.222 10.204 1.741) 16.017 1.872 ( 0.274 1.396 0.916) 1.692 2.259 ( -0.981 -0.254 9.151) 9.207 2.305 ( 1.931 -5.945 8.745) 10.749 3.164 ( -11.689 2.107 10.789) 16.046 3.402 ( -0.041 14.173 3.984) 14.722 4.154 ( 1.917 1.381 42.097) 42.164 4.310 ( 0.996 2.534 -1.441) 3.080 4.767 ( 0.550 1.201 -14.962) 15.021 5.248 ( -2.301 -0.077 22.215) 22.334 5.473 ( 3.374 -2.311 -4.002) 5.723 5.888 ( -2.318 0.022 2.636) 3.511 6.009 ( -2.214 -2.322 2.071) 3.819 6.116 ( 3.462 -1.165 8.888) 9.609 6.339 ( 2.501 -2.772 1.372) 3.978 6.513 ( -7.960 -1.103 5.676) 9.838 6.812 ( -4.726 -5.271 1.207) 7.182 7.859 ( -0.200 -1.944 15.258) 15.382 8.084 ( -3.815 2.306 5.736) 7.265 8.267 ( -1.977 1.171 10.500) 10.749 9.303 ( -8.041 -1.780 -13.396) 15.725 10.547 ( -0.975 -0.185 7.196) 7.264 10.848 ( 1.062 -2.007 -12.372) 12.579 11.963 ( -0.657 -0.142 9.850) 9.873 12.397 ( -4.059 -0.839 4.536) 6.144 12.479 ( -7.007 1.851 5.421) 9.050 14.052 ( -0.794 -1.410 -6.253) 6.459 14.233 ( 27.377 -41.046 97.869) 109.603 16.085 ( -28.208 -12.379 -13.640) 33.689 17.365 ( 6.879 -1.361 5.280) 8.778 18.336 ( 1.270 3.383 -8.444) 9.185 19.287 ( 4.497 0.216 -9.974) 10.943 23.839 ( 4.373 4.568 -11.906) 13.481 24.237 ( 8.519 9.174 -17.729) 21.704 ======================= Grid point 195 (69/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.000 17.352 6.053) 18.377 1.353 ( 0.000 11.935 13.661) 18.140 1.359 ( 0.000 14.866 -0.357) 14.870 1.863 ( 0.000 0.918 0.341) 0.979 2.246 ( 0.000 1.168 12.909) 12.962 2.374 ( -0.000 -3.297 5.966) 6.817 3.050 ( 0.000 0.138 11.992) 11.993 3.262 ( 0.000 13.769 2.201) 13.944 4.155 ( 0.000 2.145 46.601) 46.651 4.297 ( 0.000 1.812 -2.445) 3.043 4.785 ( -0.000 -3.118 -17.920) 18.189 5.217 ( 0.000 0.280 20.084) 20.086 5.536 ( -0.000 -2.369 -2.440) 3.401 5.864 ( -0.000 -0.207 1.367) 1.382 5.993 ( 0.000 0.212 4.240) 4.245 6.187 ( -0.000 -1.623 10.276) 10.403 6.399 ( -0.000 -2.912 10.139) 10.549 6.434 ( -0.000 -1.633 -2.304) 2.824 6.801 ( -0.000 -4.140 0.115) 4.142 7.887 ( -0.000 -3.056 15.301) 15.603 8.016 ( 0.000 2.358 6.618) 7.025 8.232 ( 0.000 2.464 9.311) 9.632 9.247 ( -0.000 -2.279 -13.069) 13.267 10.543 ( -0.000 -0.885 12.562) 12.594 10.876 ( -0.000 -1.397 -17.131) 17.188 11.958 ( -0.000 -0.130 9.200) 9.201 12.317 ( 0.000 0.470 16.845) 16.851 12.448 ( -0.000 -0.555 -8.436) 8.454 14.042 ( -0.000 -0.390 -9.792) 9.800 15.247 ( -0.000 -78.427 106.427) 132.203 15.757 ( -0.000 -0.204 -22.486) 22.487 17.445 ( -0.000 -1.629 5.930) 6.150 18.315 ( 0.000 3.091 -7.288) 7.916 19.330 ( 0.000 0.148 -9.222) 9.223 23.825 ( 0.000 6.072 -12.982) 14.332 24.213 ( 0.000 14.415 -21.652) 26.011 ======================= Grid point 200 (70/125) ======================= q-point: (-0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 0.904 0.000 1.396) 1.663 1.847 ( 1.008 0.000 0.140) 1.018 1.953 ( -7.609 -0.000 0.564) 7.630 1.958 ( 0.290 0.000 9.909) 9.913 2.034 ( -2.288 -0.000 5.081) 5.573 2.328 ( -3.141 -0.000 7.041) 7.710 3.554 ( 10.183 0.000 8.117) 13.022 3.992 ( -6.772 -0.000 6.544) 9.417 4.166 ( -13.711 -0.000 18.430) 22.970 4.263 ( 5.468 0.000 2.350) 5.952 4.795 ( 2.727 0.000 12.342) 12.639 5.261 ( 3.184 0.000 8.488) 9.065 5.461 ( -4.557 -0.000 -5.397) 7.064 5.923 ( -0.135 -0.000 3.190) 3.193 6.029 ( -3.691 -0.000 -0.979) 3.819 6.193 ( -0.397 -0.000 -2.970) 2.996 6.238 ( -9.672 -0.000 5.546) 11.150 6.746 ( 2.595 0.000 12.458) 12.725 6.792 ( -5.620 -0.000 8.179) 9.923 7.898 ( -3.019 -0.000 11.397) 11.790 8.179 ( 1.540 0.000 8.370) 8.511 8.468 ( -7.457 -0.000 5.003) 8.979 9.764 ( -12.592 -0.000 -11.746) 17.220 10.649 ( 0.852 0.000 -28.406) 28.419 10.668 ( -0.481 -0.000 23.243) 23.248 12.037 ( -3.715 -0.000 11.021) 11.630 12.417 ( 0.863 0.000 -9.300) 9.340 12.842 ( 9.397 0.000 105.168) 105.587 13.116 ( -15.159 -0.000 11.620) 19.100 14.207 ( -6.117 -0.000 -1.617) 6.327 16.901 ( -28.459 -0.000 -17.687) 33.507 16.917 ( 12.644 0.000 3.752) 13.189 18.352 ( 3.227 0.000 -15.322) 15.658 19.056 ( 6.822 0.000 -11.063) 12.998 23.552 ( 12.111 0.000 -5.953) 13.495 24.055 ( 8.781 0.000 -11.941) 14.822 ======================= Grid point 202 (71/125) ======================= q-point: (-0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -8.999 1.692 2.257) 9.431 1.767 ( -1.141 9.396 -0.432) 9.475 1.884 ( -1.288 -0.693 -0.074) 1.465 1.968 ( -0.392 0.088 7.290) 7.301 2.054 ( 0.080 -6.182 6.127) 8.704 2.259 ( -4.380 -1.336 8.918) 10.025 3.601 ( -19.330 4.492 6.296) 20.820 3.697 ( 0.126 2.359 8.108) 8.445 4.114 ( 2.206 -0.479 34.022) 34.096 4.339 ( 3.098 1.247 0.183) 3.345 4.828 ( 1.351 1.437 -6.201) 6.507 5.282 ( -0.368 0.425 21.638) 21.646 5.398 ( -1.394 -0.533 -5.614) 5.810 5.921 ( -0.164 -0.244 9.040) 9.044 5.962 ( -3.817 -0.832 -0.691) 3.968 6.118 ( -3.290 -0.010 -0.117) 3.292 6.217 ( 1.893 -1.712 -1.875) 3.167 6.659 ( -8.418 -0.058 7.526) 11.292 6.758 ( -2.201 -1.866 8.443) 8.923 7.853 ( -1.677 -0.022 13.232) 13.338 8.202 ( 1.223 1.684 8.301) 8.558 8.316 ( -8.415 -1.599 5.582) 10.224 9.502 ( -14.152 0.426 -12.235) 18.712 10.615 ( -0.114 4.116 -0.447) 4.141 10.718 ( 0.595 -5.380 -6.049) 8.117 11.983 ( -1.998 -0.016 11.071) 11.249 12.423 ( 0.126 0.830 -6.541) 6.594 12.793 ( -16.481 1.885 15.834) 22.932 13.119 ( 14.338 -9.617 103.737) 105.164 14.108 ( -4.307 -0.114 -7.124) 8.325 16.385 ( -27.604 -2.450 -18.158) 33.131 17.158 ( 12.019 -0.392 4.164) 12.726 18.390 ( 1.866 1.574 -11.731) 11.982 19.185 ( 6.691 0.071 -10.915) 12.802 23.771 ( 10.827 0.529 -9.271) 14.264 24.212 ( 8.675 1.622 -13.118) 15.810 ======================= Grid point 203 (72/125) ======================= q-point: (-0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -10.077 8.477 3.736) 13.688 1.660 ( -1.126 7.985 1.405) 8.186 1.797 ( -7.920 4.438 1.760) 9.248 1.919 ( -0.148 3.325 1.597) 3.691 2.153 ( 1.719 -8.424 8.446) 12.052 2.224 ( -1.477 -2.793 10.227) 10.704 3.208 ( -14.475 1.995 10.473) 17.977 3.665 ( 1.465 10.966 7.165) 13.181 4.168 ( 2.534 -0.046 42.108) 42.184 4.351 ( 0.012 1.468 -1.303) 1.963 4.818 ( 0.113 2.871 -16.340) 16.590 5.252 ( -2.072 0.279 23.382) 23.475 5.436 ( 3.728 -1.318 -6.071) 7.245 5.886 ( -2.922 -0.125 2.094) 3.597 5.943 ( -1.259 -3.404 4.313) 5.637 6.111 ( 2.413 0.451 7.341) 7.741 6.285 ( 2.971 -2.281 1.381) 3.992 6.498 ( -8.600 -0.433 5.652) 10.300 6.718 ( -4.295 -3.770 3.026) 6.467 7.836 ( -0.463 -0.418 14.498) 14.511 8.133 ( -4.526 2.338 4.686) 6.922 8.265 ( -0.078 -1.045 10.432) 10.485 9.274 ( -9.553 -1.062 -12.991) 16.160 10.575 ( -0.283 3.115 3.445) 4.653 10.781 ( 0.697 -4.656 -10.414) 11.429 11.960 ( -0.650 -0.089 9.908) 9.930 12.391 ( -3.888 0.123 6.249) 7.361 12.531 ( -6.919 3.155 4.726) 8.954 13.559 ( 14.500 -23.741 107.801) 111.332 14.051 ( -2.109 -0.320 -9.198) 9.442 15.957 ( -20.310 -2.827 -19.480) 28.283 17.344 ( 6.878 -0.781 4.290) 8.143 18.395 ( 0.809 2.272 -9.402) 9.706 19.289 ( 4.204 0.064 -10.478) 11.290 23.914 ( 5.879 2.888 -11.606) 13.326 24.337 ( 6.358 1.970 -15.252) 16.641 ======================= Grid point 204 (73/125) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 14.275 5.260) 15.213 1.592 ( 0.000 7.832 0.192) 7.834 1.594 ( 0.000 11.787 6.619) 13.518 1.894 ( 0.000 2.290 1.137) 2.556 2.238 ( -0.000 -2.050 8.101) 8.357 2.255 ( -0.000 -7.867 10.007) 12.729 3.062 ( 0.000 0.985 11.591) 11.632 3.550 ( 0.000 13.962 5.129) 14.874 4.190 ( 0.000 1.051 47.136) 47.147 4.332 ( 0.000 1.544 -2.220) 2.704 4.789 ( 0.000 2.633 -19.300) 19.479 5.224 ( 0.000 0.384 21.075) 21.078 5.498 ( -0.000 -1.465 -5.180) 5.383 5.857 ( -0.000 -0.472 0.708) 0.851 5.963 ( -0.000 -3.101 2.238) 3.824 6.155 ( -0.000 -1.074 13.690) 13.732 6.352 ( -0.000 -1.570 10.983) 11.094 6.396 ( -0.000 -1.804 -3.366) 3.819 6.711 ( -0.000 -4.533 0.335) 4.545 7.841 ( -0.000 -1.333 15.332) 15.389 8.064 ( 0.000 2.261 5.158) 5.632 8.267 ( 0.000 0.864 10.603) 10.639 9.200 ( -0.000 -2.256 -13.167) 13.359 10.547 ( 0.000 1.665 5.662) 5.902 10.830 ( -0.000 -3.509 -12.110) 12.608 11.956 ( -0.000 -0.111 9.324) 9.324 12.326 ( 0.000 0.406 17.067) 17.072 12.461 ( 0.000 2.063 -6.110) 6.449 14.034 ( -0.000 -0.340 -9.830) 9.836 14.061 ( -0.000 -42.462 112.331) 120.089 15.753 ( -0.000 -0.172 -22.321) 22.321 17.418 ( -0.000 -1.102 4.593) 4.723 18.377 ( 0.000 2.818 -8.336) 8.799 19.330 ( -0.000 -0.054 -10.044) 10.044 23.928 ( 0.000 4.583 -12.056) 12.898 24.379 ( 0.000 3.478 -18.171) 18.501 ======================= Grid point 211 (74/125) ======================= q-point: (-0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -7.005 -0.000 3.466) 7.816 1.764 ( -7.452 -0.000 -0.864) 7.502 1.840 ( -0.206 -0.000 -0.488) 0.530 1.979 ( 0.750 0.000 4.907) 4.964 2.026 ( 0.431 0.000 6.879) 6.893 2.186 ( -1.903 -0.000 12.560) 12.704 3.230 ( -15.449 -0.000 10.246) 18.538 3.786 ( 2.341 0.000 8.706) 9.015 4.162 ( 2.628 0.000 42.015) 42.097 4.366 ( -0.403 -0.000 -1.328) 1.388 4.850 ( 0.249 0.000 -16.885) 16.887 5.255 ( -2.096 -0.000 23.623) 23.715 5.423 ( 3.811 0.000 -6.911) 7.891 5.887 ( -3.559 -0.000 -0.604) 3.610 5.902 ( -1.121 -0.000 8.927) 8.997 6.119 ( 2.071 0.000 6.368) 6.696 6.260 ( 3.672 0.000 1.248) 3.879 6.494 ( -8.734 -0.000 5.624) 10.388 6.677 ( -4.435 -0.000 3.796) 5.838 7.834 ( -0.469 -0.000 13.657) 13.665 8.161 ( -6.046 -0.000 4.149) 7.333 8.248 ( 1.841 0.000 10.294) 10.457 9.263 ( -10.302 -0.000 -12.670) 16.330 10.649 ( -0.316 -0.000 20.851) 20.853 10.691 ( 0.984 0.000 -28.581) 28.598 11.959 ( -0.649 -0.000 9.951) 9.972 12.393 ( -4.376 -0.000 7.433) 8.625 12.574 ( -6.332 -0.000 0.147) 6.334 13.312 ( 11.026 0.000 111.992) 112.533 14.048 ( -2.102 -0.000 -9.358) 9.592 15.932 ( -18.421 -0.000 -20.206) 27.343 17.336 ( 6.868 0.000 3.913) 7.904 18.418 ( 0.607 0.000 -9.783) 9.802 19.289 ( 4.137 0.000 -10.625) 11.402 23.945 ( 6.776 0.000 -11.809) 13.615 24.351 ( 5.258 0.000 -13.955) 14.912 ======================= Grid point 213 (75/125) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.000 7.000 4.168) 8.147 1.668 ( 0.000 0.610 1.720) 1.825 1.797 ( 0.000 7.421 1.480) 7.567 1.955 ( 0.000 3.727 1.344) 3.962 2.087 ( -0.000 -8.028 7.260) 10.824 2.185 ( -0.000 -2.382 13.161) 13.374 3.081 ( 0.000 0.704 10.985) 11.008 3.771 ( 0.000 6.808 8.463) 10.862 4.193 ( -0.000 -0.462 45.928) 45.930 4.354 ( 0.000 0.574 -1.983) 2.064 4.842 ( 0.000 1.770 -19.967) 20.045 5.230 ( 0.000 0.193 21.865) 21.866 5.478 ( -0.000 -0.563 -7.780) 7.801 5.848 ( -0.000 -0.289 0.116) 0.311 5.901 ( -0.000 -2.132 6.416) 6.761 6.147 ( 0.000 0.019 13.272) 13.272 6.337 ( -0.000 -0.122 11.596) 11.597 6.370 ( -0.000 -0.765 -4.012) 4.085 6.638 ( -0.000 -2.230 0.282) 2.248 7.831 ( -0.000 -0.017 14.029) 14.029 8.098 ( 0.000 0.956 4.234) 4.340 8.269 ( -0.000 -0.269 11.006) 11.009 9.166 ( -0.000 -0.969 -13.196) 13.232 10.612 ( 0.000 4.490 7.724) 8.934 10.738 ( -0.000 -5.201 -15.653) 16.495 11.954 ( -0.000 -0.043 9.405) 9.405 12.332 ( 0.000 0.159 17.211) 17.212 12.518 ( 0.000 2.577 -8.039) 8.442 13.498 ( -0.000 -14.526 114.190) 115.111 14.030 ( -0.000 -0.134 -9.855) 9.856 15.750 ( -0.000 -0.066 -22.216) 22.217 17.403 ( -0.000 -0.412 3.863) 3.885 18.418 ( 0.000 1.127 -8.996) 9.066 19.329 ( 0.000 0.001 -10.433) 10.433 23.999 ( 0.000 2.100 -12.665) 12.838 24.402 ( -0.000 -0.053 -14.822) 14.822 ======================= Grid point 255 (76/125) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.000 0.000 8.807) 8.807 0.885 ( 0.000 0.000 -1.407) 1.407 1.489 ( 0.000 0.000 17.125) 17.125 1.818 ( 0.000 0.000 -2.222) 2.222 2.402 ( 0.000 0.000 6.504) 6.504 2.519 ( 0.000 0.000 10.307) 10.307 3.092 ( 0.000 0.000 8.228) 8.228 3.333 ( 0.000 0.000 15.586) 15.586 4.154 ( 0.000 0.000 -7.762) 7.762 4.455 ( 0.000 0.000 -25.787) 25.787 4.874 ( 0.000 0.000 24.387) 24.387 5.553 ( 0.000 0.000 14.333) 14.333 5.608 ( 0.000 0.000 -3.710) 3.710 5.882 ( 0.000 0.000 -0.166) 0.166 6.112 ( 0.000 0.000 8.518) 8.518 6.401 ( 0.000 0.000 -2.815) 2.815 6.661 ( 0.000 0.000 8.679) 8.679 6.719 ( 0.000 0.000 40.408) 40.408 6.883 ( 0.000 0.000 -0.579) 0.579 8.177 ( 0.000 0.000 12.920) 12.920 8.267 ( 0.000 0.000 17.340) 17.340 8.270 ( 0.000 0.000 2.274) 2.274 9.027 ( 0.000 0.000 -14.133) 14.133 10.198 ( 0.000 0.000 -40.677) 40.677 11.090 ( 0.000 0.000 24.975) 24.975 12.182 ( 0.000 0.000 13.086) 13.086 12.234 ( 0.000 0.000 -14.213) 14.213 12.626 ( 0.000 0.000 12.927) 12.927 13.901 ( 0.000 0.000 -2.518) 2.518 15.233 ( 0.000 0.000 -29.896) 29.896 17.565 ( 0.000 0.000 7.704) 7.704 18.053 ( 0.000 0.000 -7.780) 7.780 18.866 ( 0.000 0.000 1.311) 1.311 19.026 ( 0.000 0.000 -3.193) 3.193 23.085 ( 0.000 0.000 4.218) 4.218 23.602 ( 0.000 0.000 -11.100) 11.100 ======================= Grid point 256 (77/125) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 33.799 -3.582 2.530) 34.083 1.166 ( 21.357 -5.309 -0.148) 22.007 1.535 ( 4.320 -1.848 14.855) 15.580 1.824 ( 0.414 -0.453 -1.954) 2.048 2.394 ( -1.842 -1.911 6.517) 7.036 2.512 ( -0.057 1.000 10.383) 10.432 3.115 ( 0.794 -3.329 8.243) 8.925 3.387 ( 5.931 -0.347 14.502) 15.672 4.143 ( -1.393 -0.808 -6.749) 6.938 4.397 ( -4.046 2.267 -22.172) 22.652 4.810 ( -6.527 -1.210 19.322) 20.430 5.538 ( -4.949 1.809 -4.741) 7.088 5.659 ( 8.938 -0.237 16.217) 18.519 5.945 ( 5.515 0.634 0.663) 5.591 6.138 ( 3.828 0.770 8.104) 8.995 6.384 ( -1.512 0.394 -1.584) 2.225 6.575 ( -10.113 0.624 28.490) 30.238 6.708 ( 4.525 0.123 7.479) 8.742 7.011 ( 8.753 0.751 10.335) 13.564 8.172 ( -0.382 -0.070 13.707) 13.713 8.260 ( -0.997 -0.773 3.399) 3.626 8.338 ( 6.575 -1.100 15.402) 16.783 9.114 ( 9.243 1.207 -13.753) 16.614 10.173 ( -1.895 1.330 -40.184) 40.251 11.097 ( 0.524 -0.519 24.455) 24.466 12.196 ( 1.221 0.676 10.434) 10.527 12.229 ( -0.107 -0.261 -11.172) 11.176 12.715 ( 8.887 -0.202 10.185) 13.519 13.950 ( 5.542 0.138 0.509) 5.567 15.239 ( 0.087 -0.003 -20.240) 20.241 17.510 ( -5.310 1.441 8.625) 10.230 18.022 ( -3.280 1.510 -5.886) 6.906 18.443 ( -19.081 31.925 8.972) 38.260 19.007 ( -8.071 -5.130 -8.400) 12.729 23.150 ( -0.862 -12.248 1.555) 12.377 23.603 ( -1.328 -2.558 -10.788) 11.167 ======================= Grid point 257 (78/125) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 11.227 0.020 8.058) 13.820 1.620 ( 20.242 -1.909 -0.851) 20.349 1.736 ( 13.960 -3.919 3.319) 14.874 1.851 ( 2.710 -1.141 -0.828) 3.054 2.370 ( -3.068 -2.305 7.125) 8.092 2.512 ( 1.488 0.920 9.722) 9.879 3.190 ( 2.163 -5.940 8.300) 10.434 3.585 ( 14.180 -3.171 10.592) 17.981 4.124 ( -2.316 -1.537 -5.094) 5.803 4.313 ( -1.326 1.572 -15.518) 15.653 4.691 ( -7.416 -2.120 11.816) 14.110 5.432 ( -3.519 2.345 -6.778) 7.989 5.790 ( 3.441 0.413 17.671) 18.008 6.042 ( 5.621 1.046 1.879) 6.019 6.262 ( 10.600 1.495 7.546) 13.097 6.338 ( -2.446 2.030 0.197) 3.185 6.378 ( -9.301 1.317 24.628) 26.358 6.808 ( 5.931 0.005 5.196) 7.886 7.128 ( 4.322 1.093 14.783) 15.440 8.169 ( -0.198 -0.657 13.392) 13.409 8.257 ( -0.358 -0.934 4.527) 4.636 8.516 ( 10.052 -2.344 14.458) 17.765 9.302 ( 12.400 3.699 -13.229) 18.505 10.109 ( -3.002 1.867 -39.246) 39.405 11.124 ( 1.473 -1.447 23.274) 23.365 12.185 ( -0.536 1.646 -6.052) 6.295 12.262 ( 2.350 -0.931 5.919) 6.436 12.921 ( 11.660 -0.350 1.915) 11.821 14.112 ( 12.363 0.246 9.721) 15.729 15.205 ( -4.593 0.379 11.508) 12.397 17.335 ( -10.423 4.282 9.892) 14.994 17.662 ( -15.360 32.534 11.344) 37.723 18.006 ( -7.361 -0.363 -10.587) 12.900 18.862 ( -10.114 -1.982 -15.317) 18.462 23.252 ( -2.506 -13.320 -1.300) 13.616 23.603 ( -1.955 -3.697 -10.125) 10.954 ======================= Grid point 258 (79/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 5.282 0.148 7.565) 9.227 1.786 ( 1.315 0.200 -0.475) 1.412 1.975 ( 6.533 -0.485 0.629) 6.581 1.990 ( 8.681 -0.293 0.177) 8.687 2.334 ( -2.129 -1.114 7.999) 8.352 2.548 ( 2.385 0.125 7.713) 8.074 3.297 ( 2.598 -5.653 7.760) 9.946 3.946 ( 15.703 -7.326 3.702) 17.718 4.071 ( -2.384 1.311 -6.751) 7.279 4.361 ( 6.257 -1.243 -4.359) 7.726 4.596 ( -5.208 -3.308 5.285) 8.123 5.374 ( -0.730 1.570 -8.798) 8.967 5.784 ( -2.077 1.169 19.843) 19.985 6.103 ( -0.490 1.109 3.894) 4.078 6.171 ( -5.601 4.243 9.021) 11.435 6.284 ( -1.820 1.983 0.820) 2.814 6.497 ( 13.564 0.529 15.914) 20.918 6.912 ( 4.732 -0.130 4.379) 6.448 7.143 ( -1.641 0.650 21.206) 21.280 8.179 ( 0.159 -1.373 13.187) 13.259 8.259 ( -0.019 0.104 5.546) 5.547 8.726 ( 8.874 -2.793 13.182) 16.135 9.465 ( 9.394 5.331 -12.499) 16.519 10.037 ( -2.700 1.297 -38.800) 38.916 11.179 ( 2.275 -2.096 21.946) 22.163 12.160 ( -0.497 1.271 -7.388) 7.513 12.314 ( 2.217 -0.458 7.122) 7.473 13.109 ( 7.597 -0.267 -8.288) 11.246 14.393 ( 16.959 0.116 22.074) 27.837 15.048 ( -10.201 1.578 56.795) 57.725 17.071 ( -11.956 4.462 5.800) 14.018 17.211 ( -2.957 21.842 -12.095) 25.142 17.886 ( -7.861 -2.677 -9.729) 12.791 18.709 ( -7.261 -1.070 -20.756) 22.015 23.315 ( -2.527 -8.924 -2.122) 9.515 23.604 ( -1.648 -3.064 -9.534) 10.149 ======================= Grid point 259 (80/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 2.357 0.113 3.432) 4.165 1.786 ( -0.522 0.031 2.467) 2.522 2.036 ( 1.301 0.352 1.799) 2.248 2.082 ( 1.754 0.185 1.394) 2.248 2.323 ( -0.034 -0.215 6.638) 6.641 2.579 ( 0.843 0.026 6.550) 6.604 3.378 ( 1.252 -2.430 6.641) 7.181 3.998 ( -1.910 0.239 -9.070) 9.272 4.220 ( 4.540 -2.821 4.426) 6.940 4.524 ( 8.875 1.521 -0.465) 9.017 4.575 ( -2.070 -4.883 0.296) 5.312 5.355 ( -0.559 0.644 -9.081) 9.120 5.740 ( -0.924 -0.082 25.140) 25.157 5.959 ( -5.370 3.076 5.217) 8.094 6.152 ( 0.792 0.794 -0.951) 1.471 6.244 ( -0.772 0.883 -0.249) 1.199 6.719 ( 9.028 0.142 13.967) 16.631 6.961 ( -0.141 0.130 8.022) 8.025 7.083 ( -2.748 -0.015 26.128) 26.272 8.198 ( 0.274 -1.031 13.752) 13.794 8.253 ( -0.122 0.598 5.665) 5.697 8.868 ( 3.497 -1.358 12.197) 12.760 9.540 ( 3.259 2.776 -11.780) 12.534 9.993 ( -1.043 0.367 -38.841) 38.857 11.233 ( 1.232 -1.077 20.962) 21.026 12.145 ( -0.159 0.493 -6.976) 6.995 12.346 ( 0.872 -0.091 5.952) 6.017 13.202 ( 2.318 -0.074 -14.005) 14.196 14.657 ( 8.681 0.086 33.288) 34.401 14.875 ( -4.802 0.868 81.122) 81.268 16.835 ( -7.985 0.898 4.339) 9.131 17.090 ( 3.345 8.495 -34.043) 35.246 17.785 ( -4.331 -1.605 -7.462) 8.776 18.625 ( -2.506 -0.411 -23.064) 23.203 23.341 ( -1.016 -3.070 -2.188) 3.904 23.603 ( -0.636 -1.169 -9.213) 9.308 ======================= Grid point 265 (81/125) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 12.332 0.000 8.082) 14.744 1.604 ( 24.098 0.000 -1.273) 24.132 1.689 ( 15.715 0.000 4.769) 16.423 1.840 ( 2.307 0.000 -1.704) 2.869 2.341 ( -2.681 -0.000 7.674) 8.129 2.524 ( 1.073 0.000 11.103) 11.154 3.129 ( 2.718 0.000 8.571) 8.991 3.553 ( 12.510 0.000 10.565) 16.374 4.106 ( -1.691 -0.000 -3.925) 4.274 4.333 ( -2.845 -0.000 -15.547) 15.805 4.669 ( -7.423 -0.000 9.551) 12.096 5.456 ( -4.234 -0.000 -7.768) 8.847 5.795 ( 4.239 0.000 19.124) 19.588 6.056 ( 5.213 0.000 0.747) 5.266 6.275 ( 10.703 0.000 11.827) 15.951 6.357 ( -1.751 -0.000 0.532) 1.830 6.394 ( -9.394 -0.000 22.885) 24.738 6.808 ( 5.772 0.000 4.862) 7.547 7.140 ( 4.112 0.000 12.869) 13.510 8.170 ( 0.109 0.000 13.278) 13.279 8.233 ( -0.779 -0.000 1.787) 1.949 8.494 ( 9.924 0.000 16.744) 19.464 9.343 ( 13.491 0.000 -13.448) 19.049 10.129 ( -3.433 -0.000 -39.636) 39.784 11.107 ( 0.918 0.000 24.082) 24.099 12.210 ( -1.003 -0.000 -13.616) 13.653 12.245 ( 2.805 0.000 13.446) 13.735 12.918 ( 11.747 0.000 1.953) 11.908 14.115 ( 12.355 0.000 9.612) 15.654 15.207 ( -4.420 -0.000 8.199) 9.314 17.363 ( -11.171 -0.000 9.500) 14.664 17.943 ( -6.241 -0.000 -4.859) 7.910 18.130 ( -26.608 -0.000 -4.594) 27.002 18.814 ( -8.890 -0.000 -10.871) 14.043 23.090 ( 0.753 0.000 3.837) 3.910 23.568 ( -0.986 -0.000 -10.619) 10.665 ======================= Grid point 266 (82/125) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 5.758 0.623 8.292) 10.114 1.793 ( 1.366 0.326 -1.604) 2.132 1.972 ( 10.180 0.100 -0.091) 10.181 1.984 ( 9.023 -0.288 0.017) 9.027 2.304 ( -1.711 -1.196 8.948) 9.188 2.555 ( 2.243 0.357 10.465) 10.709 3.217 ( 5.336 -2.172 8.907) 10.608 3.835 ( 14.280 -3.105 3.308) 14.984 4.091 ( 0.283 0.465 -1.336) 1.442 4.345 ( 5.586 -0.287 -8.384) 10.078 4.548 ( -6.059 -1.301 2.068) 6.533 5.395 ( -1.855 0.526 -10.048) 10.231 5.807 ( -1.929 0.831 22.368) 22.467 6.121 ( 1.548 0.638 0.902) 1.902 6.226 ( -7.648 1.128 15.842) 17.628 6.313 ( -2.563 0.865 1.294) 2.999 6.509 ( 13.503 0.478 13.126) 18.838 6.911 ( 5.046 -0.013 4.190) 6.558 7.153 ( -2.376 0.321 18.621) 18.774 8.171 ( 0.341 0.507 11.428) 11.445 8.240 ( 0.323 -1.590 3.305) 3.682 8.678 ( 8.504 -1.319 16.218) 18.360 9.565 ( 10.913 3.297 -13.319) 17.532 10.055 ( -3.815 0.499 -38.930) 39.120 11.135 ( 1.335 -1.587 23.287) 23.379 12.187 ( -0.709 1.079 -11.626) 11.698 12.299 ( 2.249 -0.728 11.402) 11.644 13.106 ( 7.844 -0.051 -8.215) 11.359 14.397 ( 17.016 0.165 21.660) 27.545 15.059 ( -10.874 0.025 49.035) 50.226 17.108 ( -15.041 0.763 8.780) 17.433 17.618 ( -15.415 13.274 -18.855) 27.737 17.852 ( -6.191 -0.533 -7.775) 9.953 18.676 ( -6.723 -1.745 -17.528) 18.854 23.149 ( 1.751 -5.625 2.308) 6.327 23.567 ( 0.388 -0.848 -10.333) 10.375 ======================= Grid point 267 (83/125) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 2.966 1.129 3.916) 5.041 1.794 ( -0.088 0.619 0.134) 0.640 2.052 ( 1.489 1.150 1.555) 2.440 2.083 ( 1.415 -0.134 1.247) 1.891 2.300 ( -0.613 -1.570 7.983) 8.159 2.584 ( 0.934 0.328 8.820) 8.875 3.347 ( 6.277 -0.828 8.115) 10.292 4.010 ( 1.631 0.172 -4.690) 4.968 4.156 ( 5.830 -2.467 2.290) 6.733 4.485 ( -3.183 -3.806 -1.736) 5.256 4.541 ( 12.583 0.344 -3.115) 12.968 5.370 ( -0.738 0.646 -10.502) 10.547 5.742 ( -3.060 0.308 26.030) 26.211 6.034 ( -5.959 4.097 6.393) 9.652 6.159 ( -1.028 -0.661 0.593) 1.359 6.252 ( -3.066 0.217 0.216) 3.081 6.726 ( 8.847 0.479 13.121) 15.832 6.975 ( 1.314 0.969 6.384) 6.589 7.076 ( -4.035 -0.554 26.387) 26.699 8.177 ( 0.336 -0.405 11.284) 11.296 8.261 ( 0.587 -0.407 5.149) 5.198 8.811 ( 2.999 -2.971 14.135) 14.752 9.651 ( 3.269 6.415 -12.328) 14.277 9.994 ( -2.168 -0.136 -39.031) 39.091 11.184 ( 0.960 -3.117 22.180) 22.419 12.166 ( -0.243 1.364 -9.546) 9.646 12.333 ( 0.384 -1.014 8.499) 8.568 13.202 ( 2.558 0.062 -14.056) 14.287 14.666 ( 9.398 0.591 31.526) 32.902 14.867 ( -8.131 -1.185 78.384) 78.813 16.851 ( -9.458 0.654 5.111) 10.770 17.266 ( -12.672 7.468 -33.610) 36.688 17.790 ( 0.896 1.990 -7.806) 8.105 18.609 ( -1.944 -1.132 -21.776) 21.892 23.248 ( 2.994 -4.990 0.294) 5.827 23.596 ( 2.244 0.079 -10.052) 10.300 ======================= Grid point 268 (84/125) ======================= q-point: (-0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -1.226 1.698 1.767) 2.740 1.795 ( 0.810 0.768 2.178) 2.447 2.040 ( -1.407 0.728 1.654) 2.290 2.077 ( -1.939 -0.270 1.604) 2.531 2.301 ( -1.054 -2.169 7.484) 7.862 2.583 ( -0.608 0.300 7.645) 7.675 3.441 ( 4.723 3.628 6.550) 8.853 4.018 ( 2.160 2.266 -7.760) 8.368 4.238 ( 0.096 -0.982 4.524) 4.630 4.473 ( -4.530 -3.731 -2.342) 6.319 4.670 ( 2.714 4.427 0.192) 5.196 5.351 ( -0.431 0.258 -9.126) 9.140 5.732 ( 1.090 -1.155 25.620) 25.670 5.935 ( 0.559 1.125 3.214) 3.451 6.138 ( -2.214 -0.819 -0.512) 2.415 6.212 ( -1.765 -2.097 -1.235) 3.006 6.724 ( -8.697 0.626 15.452) 17.743 6.972 ( 0.380 1.127 8.786) 8.867 7.075 ( 2.456 -0.757 26.714) 26.837 8.188 ( -0.076 -1.230 12.903) 12.962 8.267 ( 0.649 1.298 6.117) 6.287 8.837 ( -3.853 -3.627 12.115) 13.220 9.575 ( -4.339 5.273 -12.117) 13.908 9.981 ( 0.089 -0.709 -38.758) 38.765 11.215 ( -1.001 -2.586 21.265) 21.445 12.152 ( 0.050 1.115 -7.556) 7.638 12.334 ( -1.421 -1.267 6.288) 6.570 13.205 ( -2.011 0.251 -14.250) 14.393 14.665 ( -8.252 0.773 35.130) 36.095 14.827 ( 1.106 -3.582 83.418) 83.502 16.820 ( 6.244 -0.577 3.513) 7.188 16.971 ( -16.286 -3.327 -32.279) 36.308 17.843 ( 7.102 3.709 -10.763) 13.418 18.625 ( 2.849 -0.341 -23.383) 23.559 23.352 ( 4.533 -1.449 -1.691) 5.051 23.643 ( 4.009 2.356 -9.946) 10.979 ======================= Grid point 269 (85/125) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -3.621 2.412 5.185) 6.768 1.790 ( -1.197 0.617 0.425) 1.413 1.983 ( -4.982 -0.012 1.237) 5.133 2.004 ( -5.642 1.376 -0.049) 5.807 2.322 ( 1.185 -2.390 8.160) 8.585 2.555 ( -1.833 0.664 7.291) 7.547 3.438 ( 1.497 8.280 6.246) 10.480 4.034 ( -6.903 -0.102 -2.482) 7.336 4.118 ( -4.077 7.114 -3.305) 8.840 4.380 ( -4.756 0.179 -0.223) 4.764 4.666 ( 3.613 3.416 5.459) 7.384 5.341 ( -1.140 -1.495 -8.301) 8.511 5.769 ( 1.994 -0.281 18.003) 18.116 6.059 ( 8.664 -4.117 8.303) 12.687 6.095 ( -3.647 -1.943 -0.053) 4.132 6.231 ( 0.616 -3.390 -1.138) 3.628 6.498 ( -13.045 0.804 20.481) 24.296 6.919 ( -4.707 0.608 5.007) 6.899 7.129 ( 1.021 -0.689 24.540) 24.570 8.196 ( -0.163 -0.705 15.459) 15.476 8.263 ( 0.429 1.554 5.643) 5.868 8.743 ( -8.940 -1.871 11.262) 14.501 9.413 ( -9.217 0.907 -12.774) 15.778 10.007 ( 1.494 -1.537 -38.498) 38.558 11.195 ( -2.613 -0.713 21.213) 21.385 12.148 ( 0.400 0.266 -5.890) 5.909 12.310 ( -2.275 -0.931 5.378) 5.913 13.118 ( -7.127 0.581 -8.712) 11.271 14.396 ( -17.109 0.456 22.861) 28.558 14.981 ( 9.105 -5.224 70.657) 71.433 16.755 ( -14.459 -16.538 -16.650) 27.564 17.058 ( 14.564 -2.223 6.313) 16.028 17.950 ( 7.771 3.581 -11.742) 14.529 18.717 ( 6.751 -0.072 -22.990) 23.961 23.439 ( 5.554 3.184 -3.804) 7.447 23.692 ( 5.167 5.281 -10.138) 12.545 ======================= Grid point 270 (86/125) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -8.361 3.252 6.957) 11.353 1.670 ( -12.494 2.647 -0.058) 12.771 1.824 ( -10.124 4.638 1.003) 11.181 1.882 ( -3.053 1.910 0.499) 3.636 2.385 ( 2.752 -1.817 7.274) 7.986 2.510 ( -1.637 1.087 7.863) 8.105 3.352 ( -0.287 9.988 7.188) 12.309 3.672 ( -17.370 5.259 10.376) 20.905 4.156 ( 4.171 1.669 -9.600) 10.599 4.300 ( -2.250 0.761 -10.903) 11.158 4.744 ( 7.292 2.746 13.681) 15.744 5.370 ( 1.974 -3.611 -5.712) 7.041 5.782 ( -2.262 -0.377 15.243) 15.415 6.022 ( -5.539 -1.137 1.194) 5.779 6.212 ( -6.479 -3.491 2.270) 7.702 6.281 ( 2.438 -3.286 0.222) 4.098 6.353 ( 6.044 -0.941 27.337) 28.013 6.808 ( -6.414 0.005 5.678) 8.566 7.104 ( -4.771 -1.186 19.538) 20.147 8.195 ( 0.269 1.103 16.442) 16.481 8.254 ( -0.488 -0.209 6.015) 6.038 8.566 ( -9.517 1.439 10.807) 14.472 9.230 ( -10.981 -2.510 -13.417) 17.518 10.062 ( 2.046 -2.571 -38.556) 38.696 11.148 ( -2.215 0.512 21.925) 22.043 12.161 ( 0.721 -0.578 -3.574) 3.691 12.271 ( -2.336 -0.101 3.486) 4.198 12.933 ( -11.432 0.834 1.588) 11.572 14.108 ( -12.526 -0.137 10.102) 16.092 15.179 ( 5.877 -2.592 23.884) 24.732 16.845 ( -1.983 -35.339 19.564) 40.442 17.347 ( 12.686 -3.252 8.887) 15.827 18.045 ( 5.624 2.746 -11.084) 12.729 18.869 ( 8.786 -0.703 -20.067) 21.917 23.485 ( 5.203 8.121 -5.906) 11.309 23.723 ( 5.162 8.079 -10.736) 14.394 ======================= Grid point 271 (87/125) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -24.128 8.880 4.037) 26.026 1.341 ( -14.405 10.867 -0.500) 18.051 1.604 ( -5.340 4.856 10.760) 12.957 1.843 ( -0.405 1.444 -1.031) 1.820 2.441 ( 2.149 0.642 6.068) 6.470 2.486 ( -0.417 -0.238 8.710) 8.724 3.245 ( -0.473 9.541 7.714) 12.279 3.402 ( -7.763 1.355 14.594) 16.585 4.173 ( 0.690 2.088 -7.066) 7.400 4.328 ( 2.381 -3.805 -20.941) 21.417 4.853 ( 6.843 2.926 20.628) 21.930 5.475 ( 4.326 -4.160 -3.654) 7.026 5.667 ( -8.648 0.489 15.757) 17.981 5.930 ( -4.682 -0.676 0.924) 4.820 6.111 ( -3.888 -1.790 4.866) 6.481 6.358 ( 2.155 -2.384 -2.983) 4.384 6.551 ( 10.035 -1.706 25.732) 27.672 6.703 ( -4.299 -0.373 9.741) 10.654 6.985 ( -8.976 -1.593 14.380) 17.026 8.185 ( 0.064 1.243 13.851) 13.906 8.252 ( -0.819 -1.627 10.319) 10.478 8.395 ( -5.230 3.871 9.258) 11.316 9.073 ( -7.982 -2.548 -13.833) 16.172 10.126 ( 1.495 -3.124 -39.079) 39.232 11.112 ( -0.930 0.722 22.999) 23.029 12.180 ( 0.321 -0.699 4.511) 4.577 12.233 ( -1.293 0.171 -5.000) 5.168 12.723 ( -8.923 0.621 10.084) 13.479 13.945 ( -5.517 -0.311 0.647) 5.563 15.237 ( 0.100 -0.231 -18.009) 18.011 17.305 ( 5.402 -36.092 32.405) 48.804 17.615 ( 8.784 -17.545 17.730) 26.444 18.106 ( 3.139 0.655 -9.392) 9.924 19.034 ( 6.944 -1.436 -15.062) 16.647 23.458 ( 3.221 13.584 -7.132) 15.677 23.715 ( 3.094 9.169 -11.338) 14.906 ======================= Grid point 272 (88/125) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.000 14.265 7.795) 16.256 1.037 ( 0.000 13.448 -1.780) 13.566 1.521 ( 0.000 3.144 15.208) 15.529 1.827 ( 0.000 0.960 -1.730) 1.979 2.438 ( 0.000 3.054 5.612) 6.389 2.499 ( -0.000 -1.900 9.685) 9.870 3.158 ( 0.000 6.644 8.014) 10.410 3.332 ( -0.000 -0.100 15.740) 15.741 4.165 ( 0.000 1.115 -7.869) 7.947 4.403 ( -0.000 -4.649 -24.487) 24.925 4.901 ( 0.000 2.518 24.913) 25.040 5.558 ( 0.000 0.423 14.361) 14.367 5.568 ( -0.000 -3.629 -2.827) 4.601 5.881 ( -0.000 -0.160 -0.163) 0.229 6.095 ( -0.000 -1.417 6.140) 6.301 6.397 ( -0.000 -0.886 -3.683) 3.788 6.644 ( -0.000 -1.588 8.990) 9.130 6.727 ( 0.000 0.704 41.484) 41.490 6.863 ( -0.000 -1.951 -0.296) 1.973 8.180 ( 0.000 0.276 12.297) 12.300 8.253 ( -0.000 -1.087 15.101) 15.140 8.312 ( 0.000 3.562 5.775) 6.786 9.012 ( -0.000 -1.418 -14.133) 14.204 10.170 ( -0.000 -2.634 -39.870) 39.957 11.097 ( 0.000 0.611 24.045) 24.053 12.182 ( -0.000 -0.017 13.118) 13.118 12.227 ( -0.000 -0.547 -14.057) 14.067 12.630 ( 0.000 0.381 12.895) 12.901 13.898 ( -0.000 -0.226 -2.452) 2.462 15.233 ( -0.000 -0.016 -29.835) 29.835 17.528 ( -0.000 -5.764 10.666) 12.124 18.000 ( -0.000 -17.603 7.757) 19.237 18.237 ( -0.000 -31.116 11.255) 33.088 19.116 ( -0.000 -0.043 -10.747) 10.747 23.327 ( 0.000 18.106 -4.806) 18.733 23.662 ( 0.000 6.435 -11.079) 12.812 ======================= Grid point 275 (89/125) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 3.334 0.000 4.005) 5.211 1.802 ( -0.084 -0.000 -1.741) 1.743 2.070 ( 1.698 0.000 1.705) 2.406 2.077 ( 1.257 0.000 0.502) 1.353 2.281 ( -0.839 -0.000 9.516) 9.553 2.587 ( 0.781 0.000 10.642) 10.671 3.340 ( 8.467 0.000 9.137) 12.457 4.003 ( 5.855 0.000 -1.688) 6.094 4.138 ( 3.897 0.000 2.067) 4.411 4.442 ( -4.518 -0.000 -5.859) 7.398 4.544 ( 14.041 0.000 -3.524) 14.477 5.377 ( -0.571 -0.000 -11.427) 11.441 5.746 ( -4.326 -0.000 26.831) 27.178 6.103 ( -5.824 -0.000 9.074) 10.782 6.125 ( -1.589 -0.000 -0.630) 1.710 6.256 ( -3.922 -0.000 -0.022) 3.922 6.732 ( 8.712 0.000 12.952) 15.609 6.987 ( 2.753 0.000 4.800) 5.534 7.068 ( -5.377 -0.000 27.394) 27.917 8.179 ( -0.012 -0.000 11.043) 11.043 8.248 ( 1.379 0.000 3.231) 3.513 8.780 ( 2.740 0.000 15.784) 16.020 9.725 ( 3.429 0.000 -13.279) 13.714 9.992 ( -2.649 -0.000 -39.129) 39.219 11.145 ( 0.692 0.000 23.245) 23.255 12.183 ( -0.258 -0.000 -12.476) 12.479 12.320 ( 0.176 0.000 11.357) 11.358 13.203 ( 2.651 0.000 -14.140) 14.386 14.673 ( 9.970 0.000 30.363) 31.958 14.851 ( -9.683 -0.000 77.761) 78.362 16.858 ( -10.007 -0.000 5.385) 11.364 17.343 ( -19.595 -0.000 -31.623) 37.202 17.824 ( 2.481 0.000 -10.693) 10.977 18.593 ( -1.310 -0.000 -20.713) 20.755 23.191 ( 5.158 0.000 2.013) 5.537 23.598 ( 3.233 0.000 -10.630) 11.111 ======================= Grid point 276 (90/125) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.332 1.929 0.410) 2.000 1.803 ( 0.467 -0.254 -0.584) 0.790 2.056 ( -2.485 0.578 1.000) 2.740 2.074 ( -1.142 0.036 1.788) 2.122 2.258 ( -2.002 -1.516 10.258) 10.561 2.586 ( -0.804 -0.013 10.253) 10.285 3.504 ( 9.376 2.047 7.932) 12.451 4.066 ( 2.005 1.527 -2.212) 3.354 4.219 ( 3.522 0.085 2.136) 4.120 4.388 ( -3.289 -3.795 -6.169) 7.955 4.737 ( 4.916 1.901 -1.977) 5.630 5.360 ( -1.340 0.401 -10.559) 10.651 5.705 ( 0.967 -1.024 25.549) 25.587 5.993 ( -2.858 3.707 3.887) 6.084 6.099 ( -2.887 -3.043 0.420) 4.215 6.182 ( -3.725 -0.560 -1.953) 4.243 6.737 ( -8.103 0.477 16.635) 18.510 6.997 ( -0.657 1.063 7.043) 7.153 7.057 ( 3.304 -0.848 29.222) 29.421 8.174 ( -0.412 -0.181 11.966) 11.975 8.279 ( 1.585 -0.048 4.464) 4.737 8.775 ( -4.157 -1.824 13.669) 14.403 9.676 ( -6.103 3.339 -13.319) 15.026 9.971 ( 0.003 -0.153 -38.815) 38.815 11.159 ( -0.529 -2.067 22.718) 22.817 12.178 ( 0.172 1.055 -11.306) 11.356 12.306 ( -1.949 -1.088 9.675) 9.929 13.210 ( -1.774 0.150 -14.601) 14.709 14.684 ( -8.276 0.961 34.235) 35.234 14.759 ( -1.157 -2.496 86.197) 86.241 16.812 ( 5.511 -0.177 3.436) 6.497 16.940 ( -22.958 -0.409 -30.605) 38.261 17.907 ( 6.897 2.090 -14.090) 15.826 18.617 ( 3.340 -0.327 -23.067) 23.310 23.317 ( 7.232 -1.274 -0.046) 7.343 23.679 ( 5.727 0.952 -10.972) 12.413 ======================= Grid point 277 (91/125) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -1.266 3.883 1.399) 4.317 1.805 ( -0.974 0.537 -0.115) 1.118 1.977 ( -5.455 -0.474 1.064) 5.578 2.035 ( -2.610 1.407 0.008) 2.965 2.259 ( -0.246 -3.273 10.451) 10.955 2.562 ( -1.644 -0.027 9.922) 10.058 3.607 ( 6.163 7.873 5.907) 11.613 4.035 ( -6.276 0.138 -1.421) 6.436 4.233 ( -0.265 4.054 -2.549) 4.796 4.361 ( -2.738 -1.969 -0.460) 3.404 4.724 ( 0.412 2.396 2.957) 3.828 5.319 ( -2.883 -0.690 -9.022) 9.497 5.769 ( 2.648 0.142 18.313) 18.504 5.993 ( 5.338 -1.461 4.642) 7.223 6.065 ( -3.489 -1.727 0.478) 3.923 6.159 ( -0.271 -3.233 -2.922) 4.366 6.524 ( -12.072 1.428 23.907) 26.820 6.934 ( -5.128 0.682 5.734) 7.723 7.116 ( 0.959 -0.522 27.076) 27.098 8.172 ( -0.389 -1.014 13.967) 14.009 8.300 ( 1.346 1.473 5.822) 6.154 8.675 ( -8.985 -3.633 11.121) 14.752 9.472 ( -11.295 3.528 -13.159) 17.696 9.984 ( 0.948 -0.619 -38.552) 38.569 11.159 ( -1.913 -2.335 21.964) 22.171 12.169 ( 0.365 1.554 -7.594) 7.760 12.280 ( -2.247 -1.828 6.543) 7.156 13.130 ( -6.610 0.564 -9.464) 11.557 14.410 ( -17.544 0.749 23.457) 29.301 14.863 ( 7.374 -5.548 82.436) 82.950 16.534 ( -22.796 -6.195 -21.755) 32.115 17.024 ( 14.145 -1.248 5.625) 15.273 18.016 ( 6.922 2.672 -13.690) 15.572 18.713 ( 6.473 -0.238 -24.009) 24.867 23.466 ( 7.868 0.291 -2.714) 8.328 23.781 ( 7.169 3.125 -11.508) 13.914 ======================= Grid point 278 (92/125) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -4.844 6.267 4.215) 8.972 1.716 ( -7.188 1.985 0.844) 7.504 1.892 ( -4.130 1.278 0.344) 4.337 1.935 ( -4.575 3.650 -0.590) 5.882 2.311 ( 1.296 -4.715 8.574) 9.870 2.530 ( -1.319 0.450 9.903) 10.001 3.567 ( -0.181 10.781 6.184) 12.430 3.776 ( -15.563 4.599 8.840) 18.480 4.208 ( 2.821 3.825 -11.142) 12.113 4.326 ( -2.607 1.028 -6.195) 6.799 4.780 ( 6.516 0.560 11.495) 13.225 5.303 ( 0.281 -2.796 -6.442) 7.028 5.776 ( -2.023 -0.154 13.832) 13.980 5.993 ( -4.887 -1.697 0.414) 5.190 6.138 ( 0.139 -3.271 0.074) 3.274 6.215 ( 1.650 -3.291 -2.695) 4.562 6.352 ( 1.015 0.904 31.611) 31.640 6.809 ( -7.313 0.082 6.098) 9.522 7.084 ( -5.043 -0.725 24.685) 25.205 8.181 ( -0.029 -1.602 15.932) 16.012 8.289 ( -0.574 2.908 7.321) 7.898 8.542 ( -8.238 -3.501 8.974) 12.675 9.221 ( -12.251 1.206 -13.451) 18.234 10.018 ( 1.380 -1.636 -38.408) 38.467 11.138 ( -2.068 -1.326 21.646) 21.785 12.166 ( 0.765 0.990 -2.267) 2.589 12.258 ( -1.734 -1.083 1.947) 2.823 12.953 ( -11.155 1.085 0.743) 11.232 14.108 ( -12.993 0.161 10.697) 16.831 15.090 ( 8.535 -6.162 47.857) 49.002 16.286 ( -15.238 -19.453 9.223) 26.375 17.298 ( 12.437 -2.028 7.623) 14.727 18.101 ( 4.886 2.597 -12.110) 13.314 18.851 ( 7.520 -0.816 -23.168) 24.372 23.587 ( 6.534 3.074 -5.341) 8.981 23.872 ( 7.202 5.801 -12.558) 15.596 ======================= Grid point 279 (93/125) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -14.151 10.464 4.746) 18.229 1.546 ( -6.321 8.851 0.363) 10.882 1.719 ( -6.287 6.298 4.887) 10.152 1.880 ( -0.345 2.112 -0.358) 2.170 2.383 ( 0.952 -4.786 7.138) 8.647 2.513 ( 0.187 1.091 8.852) 8.921 3.413 ( -6.742 3.140 13.329) 15.263 3.512 ( -3.015 13.074 7.364) 15.306 4.218 ( 0.248 2.180 -8.556) 8.832 4.280 ( -0.191 -0.542 -17.144) 17.153 4.907 ( 7.206 1.853 19.153) 20.547 5.387 ( 3.993 -4.329 -4.286) 7.284 5.676 ( -7.895 0.429 14.997) 16.954 5.916 ( -4.380 -0.915 0.301) 4.485 6.075 ( -3.547 -1.606 3.752) 5.407 6.298 ( 2.828 -3.155 -3.904) 5.761 6.515 ( 9.946 -1.591 23.614) 25.672 6.690 ( -4.576 -0.954 9.971) 11.012 6.956 ( -9.383 -1.225 21.880) 23.838 8.199 ( 0.178 -1.334 17.340) 17.392 8.229 ( -2.738 1.017 8.510) 8.997 8.451 ( -3.261 1.089 7.454) 8.209 9.029 ( -7.972 -1.670 -13.915) 16.123 10.063 ( 1.037 -2.756 -38.375) 38.488 11.116 ( -1.097 -0.398 21.806) 21.837 12.175 ( 0.738 0.239 5.309) 5.365 12.237 ( -0.986 0.241 -5.630) 5.721 12.739 ( -9.219 0.930 9.689) 13.406 13.939 ( -5.598 -0.281 0.909) 5.679 15.224 ( 1.631 -1.354 -10.517) 10.729 16.426 ( -1.966 -39.751 58.454) 70.717 17.501 ( 6.710 -2.643 8.434) 11.097 18.144 ( 2.439 2.337 -10.598) 11.123 18.992 ( 5.480 -2.150 -20.385) 21.218 23.637 ( 3.472 5.847 -7.234) 9.928 23.917 ( 4.973 8.847 -14.215) 17.466 ======================= Grid point 280 (94/125) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.000 16.520 6.828) 17.876 1.336 ( 0.000 14.865 -2.063) 15.008 1.608 ( 0.000 5.337 10.759) 12.010 1.856 ( 0.000 1.913 -0.851) 2.094 2.435 ( -0.000 -3.806 7.284) 8.218 2.502 ( 0.000 2.020 7.096) 7.378 3.332 ( 0.000 0.182 16.056) 16.057 3.357 ( 0.000 13.109 6.779) 14.758 4.196 ( 0.000 1.808 -8.095) 8.294 4.310 ( -0.000 -3.661 -21.125) 21.440 4.962 ( 0.000 3.125 23.859) 24.062 5.482 ( -0.000 -4.592 -2.971) 5.470 5.570 ( 0.000 0.814 14.398) 14.421 5.875 ( -0.000 -0.521 -0.165) 0.547 6.063 ( -0.000 -1.701 3.692) 4.066 6.358 ( -0.000 -2.709 -5.094) 5.769 6.605 ( -0.000 -2.120 9.637) 9.867 6.746 ( 0.000 1.172 44.178) 44.194 6.808 ( -0.000 -3.464 0.528) 3.504 8.188 ( 0.000 0.598 10.699) 10.715 8.222 ( -0.000 -1.954 16.403) 16.519 8.393 ( 0.000 3.926 6.597) 7.677 8.974 ( -0.000 -2.320 -14.091) 14.281 10.105 ( -0.000 -3.455 -38.621) 38.776 11.107 ( 0.000 0.177 22.352) 22.353 12.182 ( -0.000 -0.019 13.199) 13.199 12.222 ( 0.000 0.357 -13.853) 13.857 12.640 ( 0.000 0.575 12.815) 12.828 13.892 ( -0.000 -0.344 -2.285) 2.311 15.233 ( -0.000 -0.024 -29.683) 29.683 16.892 ( -0.000 -50.627 62.826) 80.686 17.599 ( -0.000 -4.760 10.074) 11.142 18.146 ( 0.000 1.822 -9.633) 9.804 19.074 ( -0.000 -3.006 -17.007) 17.271 23.598 ( 0.000 8.580 -8.261) 11.911 23.863 ( 0.000 11.653 -14.415) 18.536 ======================= Grid point 285 (95/125) ======================= q-point: (-0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -0.331 -0.000 -0.165) 0.370 1.800 ( 0.045 0.000 -1.982) 1.982 1.970 ( -6.315 -0.000 1.097) 6.409 2.050 ( -1.843 -0.000 -0.006) 1.843 2.221 ( -0.808 -0.000 12.709) 12.735 2.560 ( -1.703 -0.000 11.554) 11.679 3.699 ( 9.253 0.000 6.574) 11.350 4.033 ( -8.282 -0.000 0.665) 8.309 4.295 ( 3.088 0.000 0.569) 3.140 4.313 ( -1.229 -0.000 -5.592) 5.726 4.752 ( -1.980 -0.000 1.479) 2.471 5.312 ( -3.631 -0.000 -9.592) 10.256 5.770 ( 4.202 0.000 18.949) 19.410 6.002 ( 2.652 0.000 3.611) 4.480 6.024 ( -3.039 -0.000 0.471) 3.075 6.126 ( -1.108 -0.000 -3.528) 3.698 6.540 ( -11.588 -0.000 25.039) 27.590 6.941 ( -5.425 -0.000 6.026) 8.108 7.111 ( 1.076 0.000 28.042) 28.063 8.162 ( -0.551 -0.000 13.715) 13.726 8.314 ( 2.041 0.000 4.358) 4.812 8.635 ( -9.316 -0.000 11.961) 15.160 9.512 ( -12.545 -0.000 -13.580) 18.488 9.980 ( 0.807 0.000 -38.776) 38.784 11.131 ( -1.336 -0.000 22.827) 22.866 12.192 ( 0.742 0.000 -13.091) 13.112 12.254 ( -2.585 -0.000 11.707) 11.989 13.137 ( -6.374 -0.000 -9.884) 11.761 14.419 ( -17.873 -0.000 23.368) 29.420 14.801 ( 6.484 0.000 86.694) 86.936 16.478 ( -25.179 -0.000 -23.241) 34.265 17.011 ( 13.921 0.000 5.233) 14.872 18.044 ( 6.385 0.000 -14.554) 15.893 18.711 ( 6.468 0.000 -24.253) 25.101 23.467 ( 8.951 0.000 -2.075) 9.188 23.811 ( 7.618 0.000 -11.982) 14.198 ======================= Grid point 287 (96/125) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -5.286 0.793 1.247) 5.489 1.761 ( -1.824 5.523 -0.024) 5.817 1.882 ( -2.685 -2.023 0.365) 3.381 1.995 ( -3.443 1.747 -1.845) 4.279 2.230 ( 0.322 -2.620 11.947) 12.235 2.530 ( -1.404 -0.185 12.641) 12.720 3.742 ( -10.663 5.664 7.360) 14.141 3.836 ( -1.608 1.148 5.879) 6.202 4.289 ( 0.291 3.271 -9.324) 9.885 4.329 ( -0.746 -0.482 -4.255) 4.346 4.770 ( 4.538 -0.993 7.650) 8.950 5.265 ( -0.844 -1.006 -7.780) 7.890 5.779 ( -2.624 0.326 13.885) 14.134 5.961 ( -4.341 -1.159 0.634) 4.537 6.098 ( 2.842 -0.780 -0.710) 3.031 6.159 ( 3.012 -1.830 -3.390) 4.890 6.375 ( -2.006 0.884 32.394) 32.468 6.810 ( -8.175 0.031 6.537) 10.468 7.075 ( -5.041 -0.229 27.911) 28.363 8.158 ( -0.124 -0.544 15.424) 15.434 8.343 ( 1.171 2.156 5.642) 6.152 8.464 ( -9.025 -3.244 9.173) 13.271 9.248 ( -14.315 0.877 -13.155) 19.461 10.000 ( 1.151 -0.295 -38.944) 38.962 11.110 ( -1.404 -1.014 22.478) 22.545 12.195 ( 0.313 1.767 -0.938) 2.025 12.230 ( -0.612 -1.677 0.152) 1.792 12.970 ( -10.944 0.539 -0.183) 10.959 14.112 ( -13.504 0.159 11.104) 17.484 14.976 ( 9.534 -3.773 67.455) 68.230 16.056 ( -21.490 -4.939 -3.935) 22.398 17.269 ( 12.334 -0.781 6.763) 14.088 18.139 ( 4.330 1.060 -12.890) 13.639 18.841 ( 6.985 -0.264 -24.562) 25.537 23.625 ( 7.907 0.896 -4.631) 9.207 23.945 ( 7.302 1.687 -13.029) 15.031 ======================= Grid point 288 (97/125) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -8.442 7.640 4.029) 12.078 1.684 ( -2.094 5.252 0.588) 5.684 1.825 ( -4.525 3.340 1.210) 5.753 1.922 ( -0.754 2.074 -1.428) 2.629 2.279 ( 0.583 -4.973 9.550) 10.783 2.519 ( -0.071 -0.220 12.389) 12.392 3.457 ( -11.252 1.742 14.295) 18.275 3.783 ( 0.962 11.940 4.726) 12.878 4.260 ( -0.459 2.126 -10.629) 10.849 4.292 ( -1.821 0.906 -12.732) 12.894 4.909 ( 7.271 -1.643 14.976) 16.728 5.315 ( 3.559 -2.647 -5.836) 7.330 5.683 ( -6.837 0.291 14.266) 15.822 5.893 ( -3.944 -1.194 -0.004) 4.121 6.058 ( -3.444 -0.046 4.010) 5.286 6.246 ( 3.761 -1.983 -3.615) 5.581 6.495 ( 10.232 -0.456 23.041) 25.215 6.667 ( -6.410 -1.205 8.648) 10.832 6.939 ( -9.421 -0.431 29.211) 30.696 8.167 ( 0.109 -1.171 16.535) 16.576 8.262 ( -4.827 1.634 8.791) 10.161 8.437 ( 0.396 -1.944 5.908) 6.232 9.008 ( -9.991 -0.532 -13.444) 16.758 10.026 ( 0.858 -0.996 -38.815) 38.837 11.099 ( -0.842 -1.040 22.102) 22.142 12.184 ( -0.104 0.457 10.584) 10.594 12.245 ( 1.056 0.518 -11.259) 11.320 12.757 ( -9.752 0.788 8.989) 13.286 13.935 ( -5.806 -0.134 1.183) 5.927 15.176 ( 5.954 -3.318 10.872) 12.832 15.847 ( -10.917 -17.920 49.686) 53.935 17.460 ( 6.658 -1.514 7.329) 10.017 18.185 ( 2.110 1.587 -11.310) 11.614 18.960 ( 4.712 -1.051 -23.609) 24.097 23.723 ( 4.382 2.971 -6.582) 8.447 24.036 ( 4.790 3.319 -14.361) 15.499 ======================= Grid point 289 (98/125) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.000 13.171 5.820) 14.400 1.582 ( 0.000 9.136 -1.306) 9.229 1.723 ( 0.000 5.967 5.656) 8.222 1.899 ( 0.000 2.119 -0.830) 2.275 2.339 ( -0.000 -5.541 7.788) 9.558 2.522 ( 0.000 0.099 10.580) 10.580 3.341 ( 0.000 0.642 16.194) 16.207 3.651 ( 0.000 15.220 4.992) 16.017 4.232 ( 0.000 1.678 -8.237) 8.407 4.275 ( -0.000 -0.090 -18.492) 18.492 5.000 ( 0.000 0.167 19.801) 19.802 5.395 ( -0.000 -3.929 -4.769) 6.179 5.589 ( 0.000 1.012 14.422) 14.457 5.860 ( -0.000 -0.922 -0.206) 0.945 6.033 ( -0.000 -0.999 4.039) 4.161 6.308 ( -0.000 -2.021 -5.203) 5.581 6.570 ( -0.000 -1.122 10.000) 10.063 6.732 ( -0.000 -3.907 1.730) 4.273 6.769 ( 0.000 1.086 47.459) 47.471 8.183 ( -0.000 -1.692 17.205) 17.288 8.202 ( 0.000 0.731 8.840) 8.871 8.446 ( 0.000 1.125 6.534) 6.630 8.927 ( -0.000 -2.221 -13.956) 14.132 10.049 ( -0.000 -1.966 -38.529) 38.579 11.101 ( -0.000 -0.794 21.820) 21.834 12.182 ( -0.000 -0.011 13.292) 13.292 12.244 ( 0.000 1.701 -14.313) 14.414 12.651 ( 0.000 0.499 12.726) 12.735 13.886 ( -0.000 -0.301 -2.095) 2.117 15.232 ( -0.000 -0.021 -29.516) 29.516 16.026 ( -0.000 -33.816 84.406) 90.928 17.540 ( -0.000 -2.107 7.689) 7.972 18.187 ( 0.000 1.963 -10.500) 10.682 19.022 ( -0.000 -2.030 -21.850) 21.944 23.724 ( 0.000 4.775 -7.307) 8.729 24.040 ( 0.000 5.692 -15.475) 16.488 ======================= Grid point 296 (99/125) ======================= q-point: (-0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -5.877 -0.000 3.510) 6.845 1.749 ( -3.813 -0.000 -0.664) 3.871 1.845 ( -0.128 -0.000 0.708) 0.720 1.949 ( -2.079 -0.000 -3.069) 3.707 2.221 ( 0.294 0.000 12.527) 12.531 2.515 ( -0.139 -0.000 14.103) 14.104 3.476 ( -12.456 -0.000 14.230) 18.911 3.915 ( 2.481 0.000 4.027) 4.729 4.292 ( -2.705 -0.000 -6.461) 7.004 4.297 ( -0.742 -0.000 -15.521) 15.539 4.879 ( 7.060 0.000 12.427) 14.293 5.288 ( 3.333 0.000 -6.591) 7.386 5.687 ( -6.436 -0.000 14.229) 15.617 5.879 ( -3.613 -0.000 -0.100) 3.614 6.062 ( -3.247 -0.000 4.108) 5.236 6.225 ( 4.293 0.000 -3.302) 5.416 6.492 ( 10.629 0.000 23.088) 25.417 6.653 ( -7.880 -0.000 8.096) 11.298 6.936 ( -9.310 -0.000 32.106) 33.429 8.156 ( 0.151 0.000 16.515) 16.516 8.281 ( -6.711 -0.000 8.455) 10.795 8.409 ( 2.967 0.000 4.936) 5.759 9.003 ( -11.089 -0.000 -13.138) 17.192 10.018 ( 0.823 0.000 -39.335) 39.344 11.087 ( -0.639 -0.000 22.689) 22.698 12.189 ( -0.809 -0.000 13.246) 13.270 12.251 ( 2.395 0.000 -14.252) 14.451 12.766 ( -10.042 -0.000 8.560) 13.195 13.934 ( -5.931 -0.000 1.295) 6.071 15.130 ( 8.552 0.000 29.526) 30.739 15.681 ( -14.994 -0.000 34.846) 37.935 17.444 ( 6.657 0.000 6.895) 9.584 18.201 ( 1.976 0.000 -11.608) 11.774 18.949 ( 4.487 0.000 -24.605) 25.011 23.753 ( 4.876 0.000 -6.495) 8.121 24.066 ( 4.484 0.000 -13.982) 14.683 ======================= Grid point 298 (100/125) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 0.000 5.819 4.424) 7.310 1.691 ( 0.000 2.071 0.298) 2.093 1.826 ( 0.000 3.563 1.429) 3.839 1.929 ( 0.000 0.656 -2.636) 2.716 2.242 ( -0.000 -3.261 11.389) 11.846 2.517 ( -0.000 -0.274 13.726) 13.729 3.353 ( 0.000 0.424 16.081) 16.087 3.898 ( 0.000 7.697 4.220) 8.778 4.256 ( 0.000 0.678 -8.231) 8.259 4.286 ( 0.000 0.605 -17.217) 17.228 4.972 ( -0.000 -1.933 15.263) 15.385 5.339 ( -0.000 -1.492 -6.101) 6.281 5.606 ( 0.000 0.544 14.523) 14.533 5.843 ( -0.000 -0.566 -0.343) 0.662 6.029 ( 0.000 0.289 5.404) 5.412 6.280 ( -0.000 -0.754 -4.640) 4.701 6.563 ( 0.000 0.199 10.031) 10.033 6.666 ( -0.000 -2.202 2.620) 3.422 6.785 ( 0.000 0.437 49.955) 49.956 8.161 ( -0.000 -0.497 17.349) 17.356 8.214 ( 0.000 0.352 7.597) 7.605 8.447 ( -0.000 -0.429 5.869) 5.885 8.893 ( -0.000 -0.935 -13.811) 13.842 10.027 ( -0.000 -0.376 -39.292) 39.294 11.084 ( -0.000 -0.581 22.547) 22.554 12.181 ( -0.000 -0.003 13.355) 13.355 12.276 ( 0.000 1.059 -15.337) 15.373 12.658 ( 0.000 0.195 12.668) 12.669 13.881 ( -0.000 -0.118 -1.972) 1.976 15.232 ( -0.000 -0.008 -29.411) 29.411 15.576 ( -0.000 -11.331 92.751) 93.440 17.510 ( -0.000 -0.800 6.933) 6.979 18.216 ( 0.000 0.786 -11.003) 11.031 18.996 ( -0.000 -0.610 -24.180) 24.188 23.791 ( 0.000 1.800 -7.220) 7.440 24.103 ( 0.000 1.240 -14.546) 14.599 ======================= Grid point 340 (101/125) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 0.000 6.939) 6.939 0.829 ( 0.000 0.000 -4.292) 4.292 1.708 ( 0.000 0.000 5.875) 5.875 1.777 ( 0.000 0.000 -2.182) 2.182 2.558 ( 0.000 0.000 6.980) 6.980 2.623 ( 0.000 0.000 0.715) 0.715 3.364 ( 0.000 0.000 20.229) 20.229 3.653 ( 0.000 0.000 16.043) 16.043 3.873 ( 0.000 0.000 -29.497) 29.497 3.946 ( 0.000 0.000 -13.042) 13.042 5.260 ( 0.000 0.000 14.615) 14.615 5.487 ( 0.000 0.000 -8.654) 8.654 5.765 ( 0.000 0.000 7.231) 7.231 5.857 ( 0.000 0.000 -2.578) 2.578 6.249 ( 0.000 0.000 5.434) 5.434 6.337 ( 0.000 0.000 -3.674) 3.674 6.798 ( 0.000 0.000 4.938) 4.938 6.862 ( 0.000 0.000 -1.823) 1.823 7.608 ( 0.000 0.000 42.460) 42.460 8.178 ( 0.000 0.000 -14.146) 14.146 8.455 ( 0.000 0.000 14.650) 14.650 8.674 ( 0.000 0.000 25.288) 25.288 8.744 ( 0.000 0.000 -14.412) 14.412 9.351 ( 0.000 0.000 -42.029) 42.029 11.546 ( 0.000 0.000 20.932) 20.932 11.923 ( 0.000 0.000 -17.222) 17.222 12.463 ( 0.000 0.000 14.465) 14.465 12.695 ( 0.000 0.000 -6.429) 6.429 14.075 ( 0.000 0.000 20.559) 20.559 14.616 ( 0.000 0.000 -31.175) 31.175 17.728 ( 0.000 0.000 8.480) 8.480 17.894 ( 0.000 0.000 -8.260) 8.260 18.900 ( 0.000 0.000 2.294) 2.294 18.958 ( 0.000 0.000 -3.425) 3.425 23.204 ( 0.000 0.000 7.745) 7.745 23.386 ( 0.000 0.000 -10.347) 10.347 ======================= Grid point 341 (102/125) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 28.145 -4.361 2.862) 28.624 1.141 ( 24.035 -4.866 -2.105) 24.613 1.727 ( 1.731 -0.748 5.172) 5.505 1.788 ( 0.826 -0.757 -1.914) 2.218 2.553 ( -0.804 -0.589 7.184) 7.252 2.619 ( 0.018 0.577 0.838) 1.018 3.375 ( 0.219 -2.104 19.077) 19.194 3.684 ( 3.335 -0.569 14.793) 15.175 3.857 ( -1.220 0.439 -27.684) 27.714 3.957 ( 1.044 -0.786 -12.037) 12.108 5.157 ( -9.264 -0.711 14.582) 17.290 5.396 ( -7.507 0.542 -9.623) 12.216 5.868 ( 8.420 0.156 6.121) 10.411 5.938 ( 6.787 0.328 -1.527) 6.964 6.266 ( 3.298 2.138 4.829) 6.226 6.340 ( 0.978 1.491 -2.847) 3.359 6.809 ( 1.126 0.794 3.465) 3.729 6.830 ( -2.489 0.260 1.541) 2.939 7.640 ( 2.463 -1.523 39.847) 39.952 8.176 ( -0.962 -2.067 -13.076) 13.274 8.486 ( 2.518 -0.183 17.541) 17.721 8.707 ( 4.286 0.609 22.408) 22.822 8.829 ( 8.704 0.875 -15.608) 17.892 9.338 ( -0.815 1.024 -40.979) 41.000 11.545 ( 0.024 0.018 20.662) 20.662 11.918 ( -0.335 0.242 -17.034) 17.039 12.480 ( 1.650 0.024 14.395) 14.489 12.725 ( 2.924 -0.089 -8.376) 8.872 14.187 ( 11.918 0.006 22.481) 25.445 14.725 ( 11.469 -0.148 -28.989) 31.176 17.691 ( -4.021 0.214 9.442) 10.265 17.873 ( -2.756 -0.737 -8.655) 9.113 18.632 ( -17.902 15.505 9.844) 25.648 18.827 ( -12.273 3.519 -9.649) 16.004 23.232 ( -0.585 -6.029 6.501) 8.885 23.396 ( -0.896 -3.453 -9.695) 10.331 ======================= Grid point 342 (103/125) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 16.943 -1.066 1.503) 17.043 1.604 ( 18.335 -1.993 -0.826) 18.461 1.801 ( 6.044 -1.950 2.437) 6.802 1.834 ( 3.963 -1.854 -1.099) 4.512 2.543 ( -0.972 -0.842 7.976) 8.079 2.618 ( 0.836 0.983 0.877) 1.560 3.417 ( 1.167 -3.545 15.875) 16.308 3.794 ( 3.443 -3.260 -1.186) 4.887 3.839 ( 3.780 1.096 -10.628) 11.334 4.023 ( 4.478 -3.669 -9.786) 11.370 4.990 ( -9.182 -1.683 14.874) 17.561 5.252 ( -6.707 0.356 -11.347) 13.186 5.983 ( 3.784 1.657 5.282) 6.706 6.045 ( 4.722 1.186 -1.346) 5.051 6.325 ( 4.629 3.773 0.971) 6.050 6.333 ( 0.496 3.412 -0.231) 3.455 6.766 ( -1.255 0.241 9.813) 9.896 6.857 ( 3.491 -0.142 -0.582) 3.542 7.718 ( 3.379 -2.365 36.438) 36.671 8.195 ( 0.131 -3.250 -10.564) 11.054 8.521 ( 0.056 -1.319 21.616) 21.656 8.828 ( 9.519 1.733 16.890) 19.466 9.007 ( 10.726 1.838 -19.035) 21.926 9.305 ( -0.738 2.372 -37.111) 37.194 11.553 ( 0.698 -0.461 19.832) 19.849 11.910 ( -0.136 0.145 -16.278) 16.279 12.516 ( 2.087 0.248 14.141) 14.296 12.790 ( 3.468 -0.071 -12.419) 12.894 14.505 ( 21.673 -0.122 26.621) 34.328 15.028 ( 20.064 -0.969 -22.622) 30.253 17.554 ( -10.702 1.694 11.570) 15.852 17.784 ( -10.130 1.146 -11.519) 15.382 18.041 ( -22.096 17.373 23.489) 36.630 18.497 ( -16.021 5.415 -21.300) 27.197 23.286 ( -1.358 -7.656 4.454) 8.961 23.416 ( -1.497 -4.834 -8.374) 9.784 ======================= Grid point 343 (104/125) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 3.031 0.397 2.596) 4.010 1.769 ( 2.358 -0.176 -1.257) 2.677 1.981 ( 7.739 -0.641 0.288) 7.771 1.988 ( 8.048 -0.548 -0.382) 8.075 2.532 ( -0.722 -0.145 9.450) 9.479 2.631 ( 1.345 0.854 0.019) 1.593 3.473 ( 1.117 -2.749 11.403) 11.783 3.773 ( -2.025 0.963 -17.692) 17.833 4.070 ( 12.245 -5.816 6.228) 14.918 4.200 ( 8.363 -6.114 -6.910) 12.452 4.871 ( -5.239 -2.159 15.631) 16.626 5.158 ( -3.164 -0.166 -12.911) 13.294 5.991 ( 0.227 2.579 6.002) 6.536 6.079 ( 0.831 2.007 -3.167) 3.840 6.272 ( -3.173 4.813 1.967) 6.091 6.297 ( -2.337 3.947 -0.442) 4.608 6.825 ( 6.286 -0.892 11.225) 12.896 6.944 ( 4.918 -0.586 -1.649) 5.220 7.796 ( 2.211 -2.183 36.679) 36.810 8.237 ( 0.810 -2.828 -7.751) 8.291 8.520 ( -1.252 -1.357 21.376) 21.455 8.991 ( 8.757 1.414 13.357) 16.034 9.144 ( 4.140 0.571 -31.549) 31.825 9.284 ( 3.150 4.583 -23.244) 23.900 11.581 ( 1.419 -0.970 18.505) 18.585 11.912 ( 0.329 -0.121 -14.925) 14.929 12.544 ( 1.305 0.490 13.771) 13.841 12.843 ( 2.139 0.059 -15.794) 15.939 14.960 ( 25.576 -0.622 31.481) 40.566 15.467 ( 24.549 -3.056 -12.355) 27.652 17.215 ( -24.453 11.970 12.219) 29.842 17.264 ( -23.802 7.093 6.849) 25.763 17.788 ( -4.611 0.740 5.575) 7.273 18.209 ( -9.535 2.611 -28.413) 30.084 23.327 ( -1.427 -5.693 3.191) 6.680 23.433 ( -1.383 -3.889 -7.286) 8.374 ======================= Grid point 344 (105/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.564 0.187 1.846) 1.940 1.791 ( 0.376 -0.147 -1.223) 1.288 2.065 ( 2.019 0.194 1.319) 2.420 2.087 ( 2.423 0.111 -0.733) 2.533 2.521 ( -0.298 0.171 10.458) 10.464 2.643 ( 0.509 0.376 -0.981) 1.167 3.507 ( 0.411 -1.011 7.843) 7.919 3.733 ( -1.000 0.676 -14.637) 14.686 4.300 ( 5.402 -3.513 3.951) 7.559 4.384 ( 4.407 -3.034 -4.963) 7.298 4.842 ( -0.364 -1.281 15.316) 15.374 5.130 ( -0.557 -0.241 -13.274) 13.288 5.974 ( 0.884 1.012 4.783) 4.968 6.034 ( -3.183 2.125 -0.707) 3.892 6.171 ( -1.713 1.994 3.344) 4.253 6.226 ( -1.578 1.610 -1.772) 2.867 6.940 ( 3.706 -0.418 7.745) 8.597 7.022 ( 2.290 -0.312 -0.587) 2.384 7.836 ( 0.546 -0.892 39.106) 39.120 8.269 ( 0.400 -1.086 -5.793) 5.907 8.511 ( -0.619 -0.557 19.778) 19.796 9.097 ( 3.051 0.288 8.852) 9.367 9.162 ( -0.080 0.101 -39.834) 39.834 9.319 ( 2.901 2.527 -11.430) 12.061 11.613 ( 0.815 -0.549 17.331) 17.359 11.920 ( 0.266 -0.116 -13.725) 13.728 12.555 ( 0.345 0.283 13.522) 13.529 12.867 ( 0.625 0.065 -17.531) 17.542 15.381 ( 15.157 -0.746 39.019) 41.866 15.986 ( 25.973 -6.640 2.593) 26.933 16.572 ( -27.169 11.436 6.261) 30.135 16.870 ( -13.594 2.290 -4.389) 14.467 17.724 ( -1.892 -0.072 4.645) 5.016 18.086 ( -2.698 0.507 -28.509) 28.641 23.346 ( -0.596 -2.052 2.694) 3.439 23.442 ( -0.555 -1.458 -6.745) 6.923 ======================= Grid point 350 (106/125) ======================= q-point: ( 0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 19.832 0.000 0.770) 19.847 1.585 ( 22.222 0.000 -0.648) 22.231 1.780 ( 5.589 0.000 2.907) 6.300 1.814 ( 3.332 0.000 -1.127) 3.517 2.533 ( -0.827 -0.000 9.111) 9.149 2.629 ( 0.869 0.000 -0.054) 0.871 3.382 ( 2.003 0.000 18.039) 18.150 3.759 ( 4.224 0.000 4.399) 6.099 3.860 ( 2.860 0.000 -19.667) 19.874 3.981 ( 2.441 0.000 -8.505) 8.848 4.970 ( -9.526 -0.000 15.730) 18.389 5.254 ( -7.274 -0.000 -12.528) 14.486 6.001 ( 4.626 0.000 5.204) 6.962 6.057 ( 4.864 0.000 -0.991) 4.964 6.367 ( 4.937 0.000 1.222) 5.086 6.368 ( 0.670 0.000 0.526) 0.852 6.769 ( -2.227 -0.000 9.425) 9.684 6.856 ( 3.262 0.000 -0.480) 3.297 7.693 ( 3.688 0.000 34.932) 35.126 8.158 ( 0.391 0.000 -11.195) 11.202 8.506 ( -0.161 -0.000 22.433) 22.434 8.846 ( 9.514 0.000 18.617) 20.907 9.026 ( 10.455 0.000 -21.508) 23.915 9.330 ( -0.150 -0.000 -35.919) 35.920 11.547 ( 0.287 0.000 20.281) 20.283 11.912 ( -0.323 -0.000 -16.615) 16.619 12.518 ( 2.185 0.000 14.098) 14.266 12.789 ( 3.540 0.000 -12.227) 12.729 14.504 ( 21.578 0.000 26.327) 34.041 15.018 ( 19.533 0.000 -22.067) 29.470 17.569 ( -9.973 -0.000 10.938) 14.802 17.785 ( -7.241 -0.000 -10.445) 12.710 18.249 ( -28.682 -0.000 13.566) 31.728 18.550 ( -17.607 -0.000 -15.206) 23.264 23.199 ( 0.173 0.000 7.060) 7.062 23.365 ( -0.515 -0.000 -9.555) 9.569 ======================= Grid point 351 (107/125) ======================= q-point: ( 0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 2.979 0.459 1.968) 3.600 1.768 ( 1.982 0.031 -0.970) 2.207 1.973 ( 9.983 -0.184 0.197) 9.987 1.979 ( 9.648 -0.299 -0.376) 9.660 2.525 ( -0.231 -0.283 10.791) 10.797 2.651 ( 1.562 0.707 -0.967) 1.969 3.447 ( 4.274 -0.321 15.194) 15.787 3.801 ( 1.142 0.989 -15.811) 15.883 3.999 ( 10.441 -0.463 -0.152) 10.452 4.081 ( 6.520 -5.033 -5.925) 10.146 4.832 ( -5.388 -1.279 16.803) 17.692 5.149 ( -3.928 -0.457 -14.619) 15.145 6.036 ( 0.435 1.508 5.856) 6.062 6.108 ( 1.070 0.686 -1.864) 2.256 6.338 ( -3.305 1.706 1.573) 4.039 6.359 ( -5.001 1.873 0.196) 5.344 6.815 ( 6.730 -0.190 11.292) 13.147 6.938 ( 5.251 -0.092 -1.926) 5.594 7.763 ( 3.011 -0.945 34.626) 34.770 8.189 ( 1.785 -1.520 -8.849) 9.154 8.493 ( -1.409 -0.908 22.440) 22.502 9.016 ( 8.194 0.886 17.080) 18.964 9.151 ( 2.338 0.098 -36.968) 37.042 9.361 ( 4.715 2.338 -20.579) 21.241 11.561 ( 0.799 -0.744 19.544) 19.575 11.909 ( 0.047 -0.108 -15.739) 15.739 12.551 ( 1.253 0.166 13.675) 13.733 12.844 ( 2.206 0.020 -15.491) 15.648 14.953 ( 25.377 -0.142 30.514) 39.687 15.424 ( 22.896 -1.169 -10.196) 25.091 17.295 ( -18.906 1.336 9.563) 21.228 17.446 ( -30.109 4.973 -4.215) 30.807 17.831 ( -8.777 2.620 11.541) 14.735 18.250 ( -12.245 1.154 -24.424) 27.347 23.230 ( 1.223 -3.067 5.835) 6.704 23.375 ( 0.641 -1.642 -8.708) 8.885 ======================= Grid point 352 (108/125) ======================= q-point: ( 0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.475 0.556 1.133) 1.349 1.787 ( 0.454 -0.269 -0.856) 1.006 2.073 ( 2.025 0.519 0.856) 2.259 2.087 ( 2.213 -0.092 -0.510) 2.273 2.521 ( -0.526 -0.081 11.429) 11.442 2.662 ( 0.564 1.166 -1.635) 2.086 3.524 ( 4.664 2.239 10.866) 12.035 3.794 ( 1.477 4.686 -15.207) 15.981 4.203 ( 7.380 -5.059 2.904) 9.407 4.281 ( 6.160 -6.607 -5.738) 10.702 4.811 ( 1.276 -1.527 15.798) 15.923 5.118 ( -0.496 -0.823 -14.595) 14.627 6.008 ( -0.974 1.874 6.114) 6.468 6.080 ( -3.105 2.169 -1.538) 4.088 6.210 ( -5.742 1.551 3.038) 6.679 6.247 ( -5.066 0.555 -0.893) 5.174 6.940 ( 4.900 0.280 7.712) 9.141 7.024 ( 3.355 0.371 -0.813) 3.472 7.818 ( 1.957 -0.840 37.991) 38.050 8.241 ( 1.906 -1.441 -6.574) 6.995 8.482 ( -0.973 -1.774 20.158) 20.260 9.104 ( 1.807 0.780 9.238) 9.446 9.157 ( -0.576 -0.580 -36.757) 36.766 9.401 ( 1.924 4.327 -14.047) 14.823 11.588 ( 0.617 -1.576 18.473) 18.550 11.915 ( 0.167 -0.365 -14.626) 14.631 12.559 ( -0.164 0.124 13.506) 13.507 12.868 ( 0.519 0.030 -17.393) 17.401 15.372 ( 16.207 -0.198 37.424) 40.783 15.875 ( 22.767 -4.104 6.351) 23.990 16.773 ( -32.334 7.814 -1.679) 33.308 16.911 ( -16.756 1.663 -1.486) 16.903 17.736 ( -1.511 1.041 5.374) 5.679 18.097 ( -3.824 0.477 -27.329) 27.600 23.294 ( 2.457 -2.608 4.334) 5.623 23.416 ( 2.145 -1.048 -7.818) 8.174 ======================= Grid point 353 (109/125) ======================= q-point: (-0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -0.475 0.428 1.613) 1.735 1.793 ( -0.094 -0.041 -1.383) 1.386 2.066 ( -2.044 0.221 1.106) 2.335 2.084 ( -2.437 -0.177 -0.585) 2.513 2.513 ( -0.412 -0.526 11.161) 11.181 2.652 ( -0.380 1.012 -1.652) 1.974 3.569 ( 3.861 4.943 7.559) 9.822 3.778 ( 2.437 5.057 -13.406) 14.533 4.315 ( -0.643 -2.136 3.566) 4.206 4.385 ( -0.841 -3.059 -3.744) 4.907 4.857 ( 1.724 0.363 13.350) 13.465 5.126 ( 0.285 -0.542 -13.021) 13.036 5.980 ( -3.337 1.465 3.475) 5.036 6.001 ( 1.540 -0.953 2.023) 2.715 6.142 ( -2.111 -0.816 1.742) 2.856 6.184 ( -2.111 -2.480 -1.802) 3.722 6.957 ( -2.377 1.184 7.794) 8.234 7.037 ( -1.286 1.087 -0.407) 1.733 7.850 ( 1.141 0.459 39.863) 39.882 8.278 ( 1.126 -0.108 -5.171) 5.294 8.495 ( 0.333 -1.954 18.806) 18.910 9.082 ( -4.267 -0.765 10.151) 11.038 9.151 ( -0.538 -1.004 -40.406) 40.422 9.334 ( -4.656 3.379 -12.432) 13.699 11.603 ( -0.743 -1.366 17.750) 17.818 11.918 ( -0.260 -0.326 -14.087) 14.093 12.548 ( -0.937 -0.335 13.773) 13.808 12.866 ( -0.736 -0.069 -17.790) 17.805 15.400 ( -13.847 1.120 40.124) 42.461 16.119 ( -29.756 6.137 0.171) 30.383 16.358 ( 21.781 -9.183 12.502) 26.740 16.829 ( 9.562 -1.711 -7.093) 12.028 17.738 ( 2.677 1.143 3.027) 4.199 18.079 ( 1.735 -0.175 -28.473) 28.527 23.366 ( 3.644 0.007 3.089) 4.777 23.470 ( 3.523 1.169 -7.251) 8.146 ======================= Grid point 354 (110/125) ======================= q-point: (-0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -2.117 0.687 2.629) 3.445 1.777 ( -1.842 0.569 -1.541) 2.468 1.995 ( -5.411 0.430 0.258) 5.435 2.000 ( -6.313 0.898 -0.273) 6.383 2.521 ( 0.397 -1.159 9.719) 9.796 2.631 ( -0.851 0.791 -0.532) 1.278 3.567 ( 2.192 6.630 7.956) 10.586 3.791 ( 3.091 3.016 -14.497) 15.127 4.189 ( -10.859 5.157 5.840) 13.365 4.300 ( -7.274 3.304 -5.080) 9.468 4.898 ( 4.411 0.222 13.372) 14.083 5.146 ( 1.566 -1.377 -11.342) 11.532 5.951 ( -0.357 -1.052 5.395) 5.508 6.041 ( -0.502 -1.467 -3.829) 4.131 6.165 ( 1.510 -5.350 2.958) 6.297 6.209 ( 0.290 -4.743 -1.524) 4.990 6.852 ( -6.005 1.761 10.975) 12.634 6.963 ( -4.830 1.295 -1.128) 5.126 7.841 ( -0.805 2.247 39.168) 39.240 8.284 ( 0.367 1.663 -5.755) 6.002 8.528 ( 1.344 -0.936 19.915) 19.983 8.958 ( -10.007 -1.960 10.654) 14.748 9.143 ( -5.139 0.666 -26.469) 26.972 9.209 ( -3.379 -2.398 -27.614) 27.923 11.587 ( -1.750 -0.474 18.133) 18.223 11.912 ( -0.470 -0.117 -14.677) 14.685 12.532 ( -1.373 -0.667 14.139) 14.222 12.842 ( -2.008 -0.061 -16.362) 16.485 14.978 ( -25.998 1.203 32.695) 41.789 15.537 ( -27.204 3.645 -15.653) 31.597 16.895 ( 22.339 -16.062 29.137) 40.075 17.169 ( 19.447 -4.463 1.987) 20.051 17.798 ( 4.739 1.362 0.480) 4.955 18.162 ( 6.381 -1.846 -30.605) 31.317 23.423 ( 4.213 3.542 2.158) 5.912 23.517 ( 4.242 4.114 -7.122) 9.255 ======================= Grid point 355 (111/125) ======================= q-point: (-0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -10.732 3.015 2.636) 11.454 1.659 ( -11.101 3.283 -1.093) 11.628 1.849 ( -6.219 2.718 1.414) 6.933 1.876 ( -4.233 2.069 -1.085) 4.835 2.547 ( 1.011 -1.019 7.188) 7.330 2.608 ( -0.732 0.541 1.369) 1.644 3.524 ( 0.813 7.156 11.326) 13.422 3.820 ( 1.325 0.757 -16.046) 16.119 3.904 ( -10.353 6.277 9.143) 15.171 4.111 ( -7.000 4.750 -9.501) 12.721 5.018 ( 8.437 0.592 12.474) 15.071 5.228 ( 5.299 -2.247 -8.749) 10.472 5.947 ( -2.544 -1.627 4.866) 5.726 6.013 ( -4.140 -1.770 -1.893) 4.884 6.231 ( -2.236 -5.201 0.532) 5.687 6.250 ( -0.852 -4.513 -1.372) 4.793 6.764 ( -1.020 0.166 10.447) 10.498 6.862 ( -4.448 0.343 -0.576) 4.498 7.779 ( -2.549 3.499 39.645) 39.881 8.264 ( 0.414 3.228 -8.001) 8.637 8.548 ( 0.149 0.982 20.532) 20.556 8.781 ( -10.344 -2.925 11.633) 15.839 8.967 ( -11.106 -1.546 -13.937) 17.888 9.245 ( 1.307 -3.328 -40.013) 40.172 11.559 ( -1.321 -0.028 19.249) 19.294 11.907 ( -0.093 -0.097 -15.910) 15.910 12.508 ( -1.805 -0.453 14.374) 14.494 12.792 ( -3.272 0.131 -12.975) 13.382 14.510 ( -22.030 0.445 27.271) 35.060 15.054 ( -21.445 1.547 -23.974) 32.203 17.456 ( 15.548 -13.669 23.511) 31.327 17.569 ( 18.625 -12.463 13.822) 26.330 17.874 ( 4.355 0.501 1.401) 4.602 18.367 ( 11.243 -6.516 -30.252) 32.925 23.444 ( 3.649 7.104 1.669) 8.159 23.539 ( 3.803 6.861 -7.467) 10.830 ======================= Grid point 356 (112/125) ======================= q-point: (-0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -20.287 9.972 3.690) 22.904 1.306 ( -17.029 10.592 -2.691) 20.234 1.755 ( -1.945 1.995 4.669) 5.438 1.815 ( -0.955 1.870 -1.923) 2.847 2.570 ( 0.879 0.530 5.271) 5.370 2.600 ( -0.138 -0.841 2.429) 2.574 3.461 ( 0.118 6.656 15.286) 16.673 3.705 ( -5.031 1.481 15.263) 16.139 3.855 ( 1.483 0.805 -23.094) 23.156 3.986 ( -2.584 2.114 -12.537) 12.974 5.177 ( 8.693 0.875 12.470) 15.226 5.370 ( 6.670 -2.294 -7.273) 10.131 5.862 ( -7.310 -0.436 5.579) 9.206 5.926 ( -5.972 -0.829 -1.388) 6.187 6.202 ( -3.116 -3.626 4.236) 6.388 6.284 ( -0.407 -3.714 -4.089) 5.539 6.783 ( -0.361 -1.586 4.509) 4.793 6.817 ( 0.345 -1.066 1.017) 1.513 7.695 ( -2.129 3.723 42.339) 42.556 8.243 ( 1.184 4.016 -11.233) 11.988 8.493 ( -4.241 0.549 15.455) 16.035 8.681 ( -3.123 -2.041 19.953) 20.299 8.798 ( -8.190 -1.924 -13.938) 16.280 9.299 ( 0.913 -2.859 -41.029) 41.139 11.544 ( -0.403 -0.174 20.226) 20.230 11.911 ( 0.200 -0.302 -16.869) 16.872 12.479 ( -1.462 -0.076 14.488) 14.562 12.729 ( -2.869 0.234 -8.678) 9.143 14.187 ( -11.977 0.036 22.767) 25.725 14.730 ( -11.930 0.384 -29.240) 31.582 17.676 ( 4.723 -1.826 12.101) 13.118 17.898 ( 3.244 1.323 -10.307) 10.887 18.164 ( 13.765 -27.705 28.737) 42.224 18.669 ( 10.003 -10.818 -21.895) 26.391 23.412 ( 1.955 9.913 2.025) 10.304 23.518 ( 2.048 8.188 -8.148) 11.732 ======================= Grid point 357 (113/125) ======================= q-point: (-0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 0.000 13.401 6.555) 14.919 0.977 ( 0.000 13.158 -4.318) 13.849 1.721 ( 0.000 1.355 5.704) 5.863 1.791 ( 0.000 1.369 -2.179) 2.573 2.569 ( 0.000 1.006 5.674) 5.762 2.612 ( -0.000 -1.112 1.749) 2.073 3.407 ( 0.000 4.439 18.180) 18.714 3.655 ( 0.000 0.292 16.296) 16.299 3.867 ( -0.000 -0.220 -26.892) 26.893 3.954 ( 0.000 0.779 -13.281) 13.304 5.269 ( 0.000 0.738 13.337) 13.357 5.470 ( -0.000 -1.811 -7.315) 7.536 5.768 ( 0.000 0.252 7.086) 7.090 5.857 ( -0.000 -0.029 -2.464) 2.465 6.210 ( -0.000 -3.318 5.421) 6.356 6.311 ( -0.000 -2.580 -4.807) 5.455 6.785 ( -0.000 -1.223 5.009) 5.156 6.847 ( -0.000 -1.395 -1.607) 2.128 7.639 ( 0.000 2.977 43.681) 43.782 8.218 ( 0.000 3.697 -13.676) 14.167 8.447 ( -0.000 -0.744 14.246) 14.266 8.669 ( -0.000 -0.524 24.288) 24.294 8.731 ( -0.000 -1.278 -14.259) 14.316 9.332 ( -0.000 -1.968 -41.726) 41.772 11.544 ( -0.000 -0.264 20.686) 20.687 11.917 ( -0.000 -0.434 -17.160) 17.165 12.464 ( 0.000 0.046 14.507) 14.507 12.697 ( 0.000 0.189 -6.546) 6.549 14.075 ( -0.000 -0.011 20.665) 20.665 14.616 ( 0.000 0.067 -31.160) 31.160 17.725 ( -0.000 -0.380 9.695) 9.703 17.909 ( 0.000 1.420 -8.576) 8.693 18.584 ( -0.000 -26.316 16.815) 31.229 18.879 ( -0.000 -9.638 -13.289) 16.416 23.326 ( 0.000 10.285 3.928) 11.010 23.459 ( 0.000 6.868 -8.992) 11.315 ======================= Grid point 360 (114/125) ======================= q-point: ( 0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.753 0.000 0.382) 0.845 1.781 ( 0.093 0.000 -0.404) 0.414 2.082 ( 2.028 0.000 0.102) 2.030 2.083 ( 2.055 0.000 0.100) 2.058 2.520 ( -0.502 -0.000 12.080) 12.091 2.676 ( 0.471 0.000 -2.198) 2.248 3.557 ( 6.964 0.000 13.358) 15.064 3.860 ( 3.680 0.000 -14.808) 15.258 4.156 ( 5.747 0.000 0.088) 5.748 4.180 ( 6.788 0.000 -4.958) 8.406 4.794 ( 2.152 0.000 15.707) 15.854 5.108 ( -0.329 -0.000 -15.305) 15.309 6.029 ( -2.027 -0.000 6.644) 6.946 6.105 ( -1.682 -0.000 -1.860) 2.508 6.225 ( -8.373 -0.000 2.947) 8.876 6.252 ( -6.166 -0.000 -0.468) 6.184 6.944 ( 5.371 0.000 7.718) 9.403 7.029 ( 3.800 0.000 -0.910) 3.908 7.809 ( 2.509 0.000 37.409) 37.493 8.225 ( 2.640 0.000 -7.181) 7.651 8.461 ( -1.297 -0.000 20.789) 20.829 9.119 ( 1.891 0.000 17.539) 17.640 9.146 ( -1.364 -0.000 -43.398) 43.420 9.450 ( 1.727 0.000 -15.600) 15.695 11.569 ( 0.474 0.000 19.329) 19.334 11.910 ( 0.087 0.000 -15.266) 15.266 12.560 ( -0.355 -0.000 13.541) 13.545 12.869 ( 0.478 0.000 -17.361) 17.367 15.370 ( 16.602 0.000 36.642) 40.227 15.833 ( 21.577 0.000 7.935) 22.989 16.854 ( -34.342 -0.000 -5.065) 34.714 16.929 ( -17.851 -0.000 -0.223) 17.853 17.750 ( -1.807 -0.000 5.254) 5.556 18.102 ( -4.311 -0.000 -26.407) 26.756 23.265 ( 3.864 0.000 5.459) 6.688 23.405 ( 3.209 0.000 -8.567) 9.149 ======================= Grid point 361 (115/125) ======================= q-point: ( 0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -0.161 0.740 0.427) 0.869 1.788 ( 0.053 -0.480 -0.851) 0.978 2.071 ( -2.496 0.173 0.587) 2.570 2.081 ( -1.989 -0.099 -0.369) 2.026 2.506 ( -0.956 -0.196 12.415) 12.453 2.670 ( -0.576 0.565 -2.569) 2.693 3.673 ( 7.033 4.109 9.720) 12.682 3.901 ( 3.289 5.423 -12.580) 14.088 4.248 ( 1.991 -2.638 1.560) 3.655 4.285 ( 1.747 -5.575 -2.383) 6.310 4.862 ( 3.048 0.193 11.194) 11.604 5.116 ( 0.208 -0.322 -13.396) 13.401 5.980 ( -2.320 -0.459 6.176) 6.613 6.036 ( -3.041 2.941 -0.090) 4.231 6.119 ( -3.712 -2.364 1.392) 4.616 6.147 ( -4.802 -0.387 -1.517) 5.051 6.978 ( -1.547 0.685 7.783) 7.964 7.057 ( -0.793 0.625 -0.305) 1.054 7.855 ( 2.358 0.099 40.075) 40.145 8.274 ( 2.326 -0.114 -5.641) 6.103 8.453 ( -0.330 -1.610 18.714) 18.786 9.080 ( -5.301 0.424 14.335) 15.289 9.129 ( -0.880 -0.888 -41.639) 41.658 9.400 ( -5.745 2.187 -15.333) 16.519 11.575 ( -0.505 -1.014 18.998) 19.032 11.911 ( -0.211 -0.270 -15.075) 15.079 12.543 ( -1.313 -0.144 14.053) 14.115 12.865 ( -0.791 -0.027 -18.015) 18.032 15.419 ( -12.900 0.562 40.410) 42.422 16.205 ( -21.362 1.436 32.682) 39.070 16.234 ( 7.784 -2.338 -17.955) 19.709 16.805 ( 6.734 -0.591 -8.432) 10.807 17.759 ( 2.916 0.703 1.599) 3.399 18.078 ( 1.288 -0.011 -27.836) 27.866 23.359 ( 5.702 -0.349 4.292) 7.146 23.485 ( 5.279 0.346 -8.271) 9.818 ======================= Grid point 362 (116/125) ======================= q-point: (-0.56 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -0.701 1.333 1.439) 2.083 1.786 ( -0.740 0.222 -1.381) 1.582 1.997 ( -5.125 -0.045 1.054) 5.233 2.019 ( -4.231 0.823 -1.116) 4.452 2.498 ( -0.317 -0.948 11.786) 11.828 2.650 ( -0.710 0.833 -2.007) 2.286 3.722 ( 4.636 8.077 6.353) 11.273 3.887 ( 1.867 5.879 -10.287) 11.994 4.244 ( -5.600 0.154 3.559) 6.637 4.316 ( -3.405 -1.608 -3.055) 4.849 4.888 ( 1.759 -0.675 10.766) 10.930 5.113 ( -0.651 -1.558 -11.400) 11.524 5.953 ( -0.703 0.974 4.887) 5.033 6.024 ( 1.453 -0.463 -2.256) 2.723 6.080 ( -2.326 -2.738 2.032) 4.128 6.116 ( -0.915 -4.328 -1.635) 4.716 6.888 ( -5.933 1.609 10.527) 12.190 6.990 ( -5.005 1.194 -0.590) 5.179 7.879 ( 0.677 1.437 40.901) 40.932 8.306 ( 1.417 0.820 -4.327) 4.626 8.483 ( 0.942 -3.087 17.544) 17.838 8.927 ( -10.793 -0.799 14.033) 17.721 9.136 ( -0.215 -1.277 -40.730) 40.751 9.215 ( -10.470 2.165 -17.185) 20.240 11.568 ( -1.417 -1.183 18.964) 19.053 11.908 ( -0.334 -0.280 -15.449) 15.455 12.520 ( -1.414 -0.470 14.682) 14.757 12.841 ( -1.861 -0.021 -16.963) 17.065 15.003 ( -26.495 1.089 33.500) 42.725 15.601 ( -29.644 2.477 -18.589) 35.078 16.635 ( 18.098 -9.273 39.825) 44.717 17.092 ( 18.234 -2.940 -2.701) 18.666 17.827 ( 5.010 1.284 -1.943) 5.525 18.138 ( 4.721 -0.647 -30.448) 30.819 23.469 ( 6.290 1.307 3.019) 7.099 23.582 ( 6.210 2.190 -8.155) 10.482 ======================= Grid point 363 (117/125) ======================= q-point: (-0.44 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -4.933 3.928 2.179) 6.672 1.722 ( -5.459 2.795 -0.438) 6.148 1.897 ( -4.776 1.408 0.375) 4.993 1.913 ( -4.453 1.977 -1.238) 5.027 2.513 ( 0.377 -1.830 9.886) 10.060 2.629 ( -0.368 1.151 -0.607) 1.352 3.692 ( 1.957 9.201 7.085) 11.776 3.861 ( -0.498 3.060 -7.399) 8.022 4.038 ( -9.772 6.576 4.526) 12.618 4.195 ( -7.474 3.299 -7.776) 11.279 4.996 ( 7.346 -2.816 9.522) 12.352 5.164 ( 3.570 -3.862 -7.630) 9.267 5.927 ( -2.331 -0.259 4.507) 5.081 5.987 ( -4.110 -0.709 -1.548) 4.448 6.134 ( 0.714 -4.190 0.381) 4.267 6.163 ( 0.523 -4.086 -2.217) 4.678 6.775 ( -3.514 0.856 10.608) 11.208 6.872 ( -5.906 0.637 -0.254) 5.946 7.847 ( -1.455 3.181 42.625) 42.769 8.314 ( 0.977 1.824 -4.381) 4.845 8.537 ( 1.429 -2.460 18.263) 18.483 8.723 ( -11.948 -2.266 10.162) 15.848 8.962 ( -12.272 0.884 -12.647) 17.644 9.183 ( 1.013 -2.722 -43.118) 43.215 11.550 ( -1.307 -0.725 19.539) 19.596 11.906 ( 0.071 -0.010 -16.339) 16.339 12.499 ( -1.429 -0.441 14.845) 14.920 12.795 ( -3.032 0.159 -13.733) 14.065 14.522 ( -22.658 0.668 27.851) 35.910 15.085 ( -23.084 1.433 -25.400) 34.353 17.085 ( 15.930 -16.873 46.570) 52.031 17.446 ( 14.540 -4.426 4.885) 15.965 17.903 ( 4.369 1.670 -4.244) 6.316 18.267 ( 7.142 -3.347 -33.956) 34.860 23.553 ( 5.290 3.924 2.007) 6.885 23.660 ( 5.625 4.766 -8.429) 11.198 ======================= Grid point 364 (118/125) ======================= q-point: (-0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -11.786 10.333 4.041) 16.187 1.519 ( -9.367 9.890 -2.637) 13.874 1.802 ( -2.160 2.589 3.313) 4.727 1.855 ( -0.938 1.860 -2.043) 2.918 2.543 ( 0.479 -2.286 7.374) 7.735 2.614 ( 0.091 1.398 0.882) 1.656 3.629 ( 1.182 9.213 10.189) 13.787 3.744 ( -6.683 2.903 13.611) 15.438 3.904 ( 0.426 4.152 -15.174) 15.738 4.037 ( -4.821 2.863 -12.516) 13.714 5.172 ( 7.976 -1.817 8.937) 12.115 5.301 ( 5.693 -4.467 -4.815) 8.692 5.853 ( -5.907 -0.429 4.798) 7.622 5.908 ( -4.965 -0.919 -1.251) 5.202 6.141 ( -1.994 -2.281 3.169) 4.384 6.213 ( 0.673 -2.998 -4.191) 5.197 6.752 ( -0.713 -1.376 5.325) 5.545 6.792 ( -1.965 -1.325 1.114) 2.619 7.777 ( -1.653 4.267 45.600) 45.829 8.313 ( 1.636 2.785 -6.033) 6.843 8.507 ( -6.620 0.711 12.666) 14.309 8.620 ( -1.116 -4.140 14.373) 14.999 8.765 ( -8.354 -1.202 -11.584) 14.333 9.232 ( 0.791 -3.499 -42.164) 42.317 11.538 ( -0.593 -0.412 20.215) 20.227 11.910 ( 0.296 0.203 -17.215) 17.218 12.477 ( -1.132 -0.101 14.701) 14.745 12.734 ( -2.813 0.293 -9.194) 9.619 14.189 ( -12.214 0.134 23.164) 26.188 14.739 ( -12.672 0.456 -29.587) 32.190 17.520 ( 8.756 -19.178 39.880) 45.110 17.707 ( 8.173 -8.875 13.304) 17.960 17.949 ( 2.351 1.740 -4.533) 5.395 18.463 ( 6.747 -8.661 -33.030) 34.807 23.578 ( 2.880 6.610 1.417) 7.348 23.685 ( 3.340 7.470 -8.945) 12.123 ======================= Grid point 365 (119/125) ======================= q-point: (-0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.000 15.742 5.989) 16.843 1.275 ( 0.000 15.163 -4.172) 15.726 1.759 ( 0.000 2.342 4.940) 5.467 1.827 ( 0.000 2.058 -2.269) 3.063 2.570 ( -0.000 -1.950 5.265) 5.614 2.602 ( 0.000 1.234 2.180) 2.505 3.544 ( 0.000 9.344 13.006) 16.015 3.665 ( 0.000 0.678 16.903) 16.916 3.882 ( 0.000 2.114 -20.465) 20.573 3.976 ( 0.000 1.366 -13.856) 13.923 5.275 ( -0.000 -0.617 9.945) 9.964 5.412 ( -0.000 -4.042 -4.628) 6.145 5.774 ( 0.000 0.388 6.597) 6.609 5.855 ( -0.000 -0.247 -2.100) 2.114 6.145 ( -0.000 -2.694 4.596) 5.327 6.247 ( -0.000 -3.178 -5.671) 6.501 6.753 ( -0.000 -1.815 5.074) 5.388 6.809 ( -0.000 -2.333 -0.906) 2.502 7.716 ( 0.000 4.417 46.473) 46.683 8.304 ( 0.000 4.322 -11.177) 11.983 8.428 ( -0.000 -1.062 13.145) 13.188 8.648 ( -0.000 -1.756 20.903) 20.977 8.697 ( -0.000 -2.012 -13.807) 13.953 9.276 ( -0.000 -3.480 -41.678) 41.823 11.537 ( -0.000 -0.400 20.443) 20.446 11.911 ( -0.000 -0.014 -17.366) 17.366 12.465 ( 0.000 0.076 14.610) 14.611 12.702 ( 0.000 0.287 -6.838) 6.844 14.075 ( -0.000 -0.019 20.931) 20.931 14.618 ( 0.000 0.098 -31.123) 31.123 17.694 ( -0.000 -4.269 16.425) 16.970 17.939 ( -0.000 -1.479 -10.514) 10.618 18.009 ( -0.000 -24.179 34.555) 42.174 18.642 ( -0.000 -12.256 -26.905) 29.565 23.528 ( 0.000 8.794 1.160) 8.870 23.631 ( 0.000 9.288 -8.828) 12.814 ======================= Grid point 370 (120/125) ======================= q-point: (-0.67 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -0.016 -0.000 -0.241) 0.241 1.782 ( -0.171 -0.000 -0.340) 0.380 1.996 ( -5.073 -0.000 1.518) 5.295 2.028 ( -3.629 -0.000 -1.605) 3.968 2.488 ( -0.617 -0.000 12.816) 12.831 2.659 ( -0.766 -0.000 -2.575) 2.686 3.823 ( 5.784 0.000 6.344) 8.585 3.964 ( -0.468 -0.000 -7.435) 7.450 4.232 ( -2.242 -0.000 1.013) 2.460 4.278 ( 0.153 0.000 -2.156) 2.161 4.882 ( -0.268 -0.000 9.458) 9.462 5.096 ( -1.844 -0.000 -11.578) 11.724 5.967 ( 0.901 0.000 5.115) 5.194 6.030 ( 0.343 0.000 -0.913) 0.975 6.046 ( -1.433 -0.000 1.109) 1.812 6.065 ( -3.778 -0.000 -1.998) 4.273 6.906 ( -5.925 -0.000 10.279) 11.864 7.003 ( -5.119 -0.000 -0.342) 5.131 7.894 ( 1.365 0.000 41.503) 41.525 8.317 ( 2.178 0.000 -5.381) 5.805 8.442 ( 0.181 0.000 18.094) 18.095 8.922 ( -11.130 -0.000 15.999) 19.490 9.120 ( 0.008 0.000 -42.386) 42.386 9.242 ( -11.628 -0.000 -17.620) 21.111 11.554 ( -1.116 -0.000 19.575) 19.607 11.904 ( -0.210 -0.000 -15.974) 15.975 12.515 ( -1.427 -0.000 14.940) 15.008 12.841 ( -1.794 -0.000 -17.225) 17.318 15.015 ( -26.724 -0.000 33.750) 43.049 15.626 ( -30.628 -0.000 -19.781) 36.461 16.542 ( 16.666 0.000 43.538) 46.619 17.061 ( 17.654 0.000 -4.547) 18.230 17.841 ( 5.027 0.000 -2.729) 5.719 18.132 ( 4.293 0.000 -30.085) 30.390 23.481 ( 7.111 0.000 3.521) 7.936 23.603 ( 6.840 0.000 -8.625) 11.007 ======================= Grid point 372 (121/125) ======================= q-point: (-0.56 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -1.495 1.485 0.376) 2.140 1.763 ( -2.547 1.692 0.106) 3.060 1.904 ( -4.041 -0.201 1.756) 4.411 1.947 ( -4.279 1.045 -2.509) 5.069 2.486 ( 0.012 -0.740 12.352) 12.374 2.646 ( -0.346 0.418 -1.873) 1.950 3.857 ( 0.187 6.321 4.061) 7.516 3.911 ( -2.362 0.841 -0.115) 2.510 4.138 ( -6.398 2.824 0.016) 6.994 4.233 ( -5.461 0.704 -6.069) 8.195 4.932 ( 5.513 -2.486 8.024) 10.048 5.098 ( 2.124 -2.139 -8.694) 9.202 5.936 ( -3.346 0.845 4.413) 5.602 5.976 ( -4.945 -0.621 0.133) 4.986 6.078 ( 2.990 -1.255 -0.530) 3.286 6.099 ( 3.140 -1.990 -2.427) 4.440 6.791 ( -5.073 0.555 10.363) 11.551 6.883 ( -6.981 0.352 0.145) 6.991 7.895 ( -0.572 1.376 44.441) 44.466 8.347 ( 1.832 1.627 -4.068) 4.749 8.466 ( 0.673 -3.418 16.093) 16.466 8.701 ( -11.938 -0.309 14.074) 18.458 8.982 ( -13.559 0.687 -13.818) 19.371 9.145 ( 0.577 -0.961 -45.546) 45.560 11.537 ( -0.879 -0.447 20.230) 20.254 11.906 ( 0.435 -0.007 -17.047) 17.053 12.492 ( -1.163 -0.177 15.253) 15.299 12.797 ( -2.868 0.079 -14.301) 14.586 14.533 ( -23.201 0.339 28.142) 36.474 15.106 ( -24.194 0.587 -26.254) 35.707 16.853 ( 13.599 -5.998 54.395) 56.390 17.380 ( 14.519 -1.861 0.544) 14.647 17.928 ( 4.351 0.705 -5.409) 6.978 18.228 ( 5.415 -0.821 -33.912) 34.352 23.604 ( 6.313 1.228 2.583) 6.930 23.722 ( 6.301 1.493 -9.007) 11.093 ======================= Grid point 373 (122/125) ======================= q-point: (-0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -6.469 6.642 3.253) 9.826 1.675 ( -4.334 5.481 -1.525) 7.152 1.849 ( -1.930 1.744 1.377) 2.944 1.883 ( -0.904 0.981 -2.032) 2.431 2.502 ( 0.268 -1.636 11.009) 11.133 2.638 ( 0.100 0.823 -1.046) 1.334 3.746 ( -4.841 2.487 13.496) 14.552 3.862 ( 0.001 7.431 3.180) 8.083 4.004 ( -2.009 5.236 -8.335) 10.046 4.092 ( -6.411 2.337 -11.140) 13.064 5.103 ( 7.475 -4.441 6.337) 10.760 5.209 ( 5.162 -4.172 -5.005) 8.312 5.849 ( -5.170 0.061 4.260) 6.699 5.891 ( -4.616 -0.776 -0.586) 4.717 6.115 ( 0.046 -0.460 2.454) 2.497 6.172 ( 2.424 -1.184 -3.442) 4.373 6.733 ( -1.531 -0.558 5.578) 5.811 6.769 ( -4.348 -0.848 1.729) 4.755 7.853 ( -1.195 3.081 48.387) 48.499 8.359 ( 1.793 2.201 -1.192) 3.079 8.507 ( -7.503 -2.434 7.116) 10.624 8.533 ( 0.625 -2.508 16.069) 16.276 8.751 ( -9.969 -0.352 -12.341) 15.868 9.173 ( 0.565 -2.184 -44.732) 44.789 11.530 ( -0.369 -0.348 20.862) 20.868 11.917 ( 0.718 0.414 -18.080) 18.099 12.475 ( -0.816 -0.067 14.948) 14.971 12.739 ( -2.803 0.214 -9.709) 10.108 14.192 ( -12.580 0.143 23.474) 26.633 14.747 ( -13.366 0.311 -29.849) 32.706 17.156 ( 8.213 -13.489 57.422) 59.554 17.611 ( 7.268 -3.233 5.653) 9.759 17.981 ( 2.367 1.261 -6.601) 7.125 18.344 ( 4.472 -3.463 -37.097) 37.526 23.676 ( 3.581 3.257 1.959) 5.222 23.794 ( 3.801 3.457 -9.543) 10.838 ======================= Grid point 374 (123/125) ======================= q-point: (-0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 11.848 4.966) 12.847 1.537 ( 0.000 10.489 -3.265) 10.985 1.809 ( 0.000 2.532 3.297) 4.157 1.865 ( 0.000 1.540 -2.376) 2.831 2.524 ( -0.000 -2.248 9.133) 9.406 2.629 ( 0.000 1.186 -0.228) 1.207 3.681 ( 0.000 0.896 17.497) 17.520 3.761 ( 0.000 11.496 6.784) 13.349 3.952 ( 0.000 4.441 -13.098) 13.831 4.005 ( 0.000 1.405 -14.428) 14.496 5.230 ( -0.000 -3.932 6.202) 7.343 5.316 ( -0.000 -5.119 -3.495) 6.199 5.783 ( 0.000 0.419 5.709) 5.724 5.847 ( -0.000 -0.564 -1.447) 1.553 6.113 ( -0.000 -0.413 4.154) 4.174 6.204 ( -0.000 -1.103 -5.030) 5.149 6.720 ( -0.000 -1.376 4.775) 4.970 6.760 ( -0.000 -2.388 0.332) 2.411 7.804 ( 0.000 4.112 49.526) 49.696 8.377 ( 0.000 3.014 -5.877) 6.605 8.409 ( -0.000 -0.843 11.736) 11.767 8.595 ( -0.000 -3.546 15.751) 16.145 8.657 ( -0.000 -1.836 -13.160) 13.287 9.206 ( -0.000 -3.164 -43.459) 43.574 11.529 ( -0.000 -0.307 20.894) 20.896 11.918 ( 0.000 0.643 -18.250) 18.262 12.466 ( 0.000 0.072 14.725) 14.725 12.708 ( 0.000 0.250 -7.159) 7.163 14.074 ( -0.000 -0.017 21.226) 21.226 14.620 ( 0.000 0.083 -31.083) 31.083 17.404 ( -0.000 -19.553 53.084) 56.570 17.715 ( -0.000 -4.538 9.124) 10.191 17.989 ( 0.000 1.695 -6.702) 6.913 18.444 ( -0.000 -7.087 -36.293) 36.979 23.667 ( 0.000 5.250 1.697) 5.517 23.785 ( 0.000 5.677 -9.833) 11.355 ======================= Grid point 381 (124/125) ======================= q-point: (-0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -4.493 -0.000 2.596) 5.189 1.732 ( -3.239 -0.000 -1.226) 3.463 1.863 ( -0.582 -0.000 1.134) 1.275 1.895 ( -1.688 -0.000 -2.217) 2.787 2.485 ( 0.185 0.000 12.590) 12.591 2.646 ( 0.098 0.000 -1.671) 1.674 3.769 ( -6.929 -0.000 14.337) 15.923 3.943 ( 2.069 0.000 -1.598) 2.615 4.069 ( -2.986 -0.000 -5.510) 6.267 4.118 ( -6.808 -0.000 -9.607) 11.775 5.047 ( 7.269 0.000 6.033) 9.447 5.162 ( 5.133 0.000 -6.054) 7.937 5.852 ( -5.197 -0.000 3.862) 6.475 5.881 ( -4.436 -0.000 -0.023) 4.436 6.113 ( 1.177 0.000 2.058) 2.371 6.161 ( 3.323 0.000 -2.875) 4.394 6.728 ( -1.877 -0.000 5.505) 5.816 6.761 ( -5.537 -0.000 2.150) 5.940 7.886 ( -0.983 -0.000 49.642) 49.652 8.406 ( 3.047 0.000 -6.630) 7.297 8.434 ( -2.204 -0.000 14.183) 14.353 8.525 ( -5.377 -0.000 15.492) 16.398 8.747 ( -10.937 -0.000 -13.109) 17.072 9.151 ( 0.480 0.000 -46.261) 46.263 11.526 ( -0.180 -0.000 21.269) 21.270 11.922 ( 0.977 0.000 -18.544) 18.570 12.474 ( -0.689 -0.000 15.060) 15.076 12.742 ( -2.812 -0.000 -9.932) 10.322 14.193 ( -12.766 -0.000 23.587) 26.820 14.750 ( -13.652 -0.000 -29.939) 32.905 17.020 ( 7.556 0.000 61.466) 61.929 17.576 ( 7.404 0.000 3.239) 8.082 17.994 ( 2.338 0.000 -6.878) 7.265 18.312 ( 3.784 0.000 -37.328) 37.519 23.708 ( 3.861 0.000 2.048) 4.371 23.827 ( 3.869 0.000 -9.525) 10.281 ======================= Grid point 383 (125/125) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 4.601 3.507) 5.785 1.676 ( 0.000 3.395 -1.769) 3.829 1.852 ( 0.000 1.453 1.259) 1.922 1.882 ( 0.000 0.200 -1.922) 1.933 2.491 ( -0.000 -0.910 12.132) 12.166 2.646 ( 0.000 0.414 -1.501) 1.557 3.696 ( 0.000 0.452 17.799) 17.805 3.951 ( 0.000 6.020 1.930) 6.322 4.026 ( 0.000 0.615 -14.732) 14.744 4.029 ( 0.000 2.441 -7.641) 8.021 5.145 ( -0.000 -3.258 5.034) 5.996 5.234 ( -0.000 -2.462 -4.605) 5.222 5.790 ( 0.000 0.270 4.768) 4.775 5.835 ( -0.000 -0.417 -0.727) 0.838 6.119 ( 0.000 0.525 3.941) 3.976 6.195 ( -0.000 -0.080 -3.935) 3.935 6.704 ( -0.000 -0.139 3.926) 3.929 6.721 ( -0.000 -1.372 1.836) 2.292 7.866 ( 0.000 1.825 51.881) 51.913 8.397 ( -0.000 -0.304 10.711) 10.716 8.431 ( 0.000 2.656 -2.918) 3.946 8.516 ( -0.000 -3.833 13.499) 14.033 8.630 ( -0.000 -0.747 -12.644) 12.666 9.161 ( -0.000 -1.151 -46.017) 46.031 11.525 ( -0.000 -0.090 21.590) 21.590 11.931 ( 0.000 0.410 -19.170) 19.174 12.468 ( 0.000 0.030 14.797) 14.797 12.711 ( 0.000 0.098 -7.363) 7.363 14.074 ( -0.000 -0.007 21.415) 21.415 14.621 ( 0.000 0.032 -31.057) 31.057 17.128 ( -0.000 -7.202 62.328) 62.743 17.653 ( -0.000 -1.721 5.039) 5.325 18.013 ( 0.000 0.651 -7.214) 7.243 18.358 ( -0.000 -1.878 -38.568) 38.614 23.737 ( 0.000 1.757 1.843) 2.546 23.856 ( 0.000 1.653 -9.780) 9.918 =================== 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 3/26244 10.0 207.342 194.502 110.308 0.000 0.000 0.000 3/26244 20.0 108.205 61.095 96.528 0.000 0.000 0.000 3/26244 30.0 54.372 30.667 55.036 0.000 0.000 0.000 3/26244 40.0 33.336 18.853 36.171 0.000 0.000 0.000 3/26244 50.0 23.215 13.019 26.797 0.000 0.000 0.000 3/26244 60.0 17.538 9.709 21.437 0.000 0.000 0.000 3/26244 70.0 14.004 7.651 18.053 0.000 0.000 0.000 3/26244 80.0 11.634 6.281 15.760 0.000 0.000 0.000 3/26244 90.0 9.951 5.319 14.120 0.000 0.000 0.000 3/26244 100.0 8.703 4.613 12.891 0.000 0.000 0.000 3/26244 110.0 7.745 4.077 11.933 0.000 0.000 0.000 3/26244 120.0 6.988 3.660 11.159 0.000 0.000 0.000 3/26244 130.0 6.375 3.326 10.516 0.000 0.000 0.000 3/26244 140.0 5.870 3.055 9.967 0.000 0.000 0.000 3/26244 150.0 5.446 2.830 9.490 0.000 0.000 0.000 3/26244 160.0 5.086 2.641 9.067 0.000 0.000 0.000 3/26244 170.0 4.775 2.480 8.688 0.000 0.000 0.000 3/26244 180.0 4.504 2.342 8.344 0.000 0.000 0.000 3/26244 190.0 4.266 2.221 8.030 0.000 0.000 0.000 3/26244 200.0 4.055 2.115 7.741 0.000 0.000 0.000 3/26244 210.0 3.865 2.021 7.473 0.000 0.000 0.000 3/26244 220.0 3.695 1.937 7.223 0.000 0.000 0.000 3/26244 230.0 3.540 1.861 6.990 0.000 0.000 0.000 3/26244 240.0 3.400 1.793 6.772 0.000 0.000 0.000 3/26244 250.0 3.271 1.730 6.567 0.000 0.000 0.000 3/26244 260.0 3.152 1.672 6.373 0.000 0.000 0.000 3/26244 270.0 3.042 1.619 6.191 0.000 0.000 0.000 3/26244 280.0 2.940 1.570 6.018 0.000 0.000 0.000 3/26244 290.0 2.846 1.525 5.854 0.000 0.000 0.000 3/26244 300.0 2.757 1.482 5.699 0.000 0.000 0.000 3/26244 310.0 2.675 1.442 5.551 0.000 0.000 0.000 3/26244 320.0 2.597 1.404 5.411 0.000 0.000 0.000 3/26244 330.0 2.524 1.369 5.277 0.000 0.000 0.000 3/26244 340.0 2.455 1.335 5.149 0.000 0.000 0.000 3/26244 350.0 2.390 1.304 5.027 0.000 0.000 0.000 3/26244 360.0 2.328 1.273 4.910 0.000 0.000 0.000 3/26244 370.0 2.270 1.245 4.799 0.000 0.000 0.000 3/26244 380.0 2.214 1.217 4.692 0.000 0.000 0.000 3/26244 390.0 2.162 1.191 4.590 0.000 0.000 0.000 3/26244 400.0 2.111 1.166 4.491 0.000 0.000 0.000 3/26244 410.0 2.063 1.143 4.397 0.000 0.000 0.000 3/26244 420.0 2.018 1.120 4.306 0.000 0.000 0.000 3/26244 430.0 1.974 1.098 4.219 0.000 0.000 0.000 3/26244 440.0 1.932 1.077 4.136 0.000 0.000 0.000 3/26244 450.0 1.892 1.056 4.055 0.000 0.000 0.000 3/26244 460.0 1.853 1.037 3.977 0.000 0.000 0.000 3/26244 470.0 1.817 1.018 3.902 0.000 0.000 0.000 3/26244 480.0 1.781 1.000 3.830 0.000 0.000 0.000 3/26244 490.0 1.747 0.982 3.760 0.000 0.000 0.000 3/26244 500.0 1.714 0.965 3.693 0.000 0.000 0.000 3/26244 510.0 1.683 0.949 3.628 0.000 0.000 0.000 3/26244 520.0 1.652 0.933 3.565 0.000 0.000 0.000 3/26244 530.0 1.623 0.918 3.504 0.000 0.000 0.000 3/26244 540.0 1.594 0.903 3.446 0.000 0.000 0.000 3/26244 550.0 1.567 0.889 3.389 0.000 0.000 0.000 3/26244 560.0 1.540 0.875 3.333 0.000 0.000 0.000 3/26244 570.0 1.515 0.861 3.280 0.000 0.000 0.000 3/26244 580.0 1.490 0.848 3.228 0.000 0.000 0.000 3/26244 590.0 1.466 0.836 3.178 0.000 0.000 0.000 3/26244 600.0 1.443 0.823 3.129 0.000 0.000 0.000 3/26244 610.0 1.420 0.811 3.082 0.000 0.000 0.000 3/26244 620.0 1.399 0.800 3.036 0.000 0.000 0.000 3/26244 630.0 1.377 0.788 2.991 0.000 0.000 0.000 3/26244 640.0 1.357 0.777 2.948 0.000 0.000 0.000 3/26244 650.0 1.337 0.767 2.906 0.000 0.000 0.000 3/26244 660.0 1.318 0.756 2.865 0.000 0.000 0.000 3/26244 670.0 1.299 0.746 2.825 0.000 0.000 0.000 3/26244 680.0 1.281 0.736 2.786 0.000 0.000 0.000 3/26244 690.0 1.263 0.727 2.748 0.000 0.000 0.000 3/26244 700.0 1.245 0.717 2.711 0.000 0.000 0.000 3/26244 710.0 1.229 0.708 2.675 0.000 0.000 0.000 3/26244 720.0 1.212 0.699 2.640 0.000 0.000 0.000 3/26244 730.0 1.196 0.690 2.606 0.000 0.000 0.000 3/26244 740.0 1.181 0.682 2.573 0.000 0.000 0.000 3/26244 750.0 1.166 0.674 2.541 0.000 0.000 0.000 3/26244 760.0 1.151 0.666 2.509 0.000 0.000 0.000 3/26244 770.0 1.136 0.658 2.478 0.000 0.000 0.000 3/26244 780.0 1.122 0.650 2.448 0.000 0.000 0.000 3/26244 790.0 1.109 0.642 2.419 0.000 0.000 0.000 3/26244 800.0 1.095 0.635 2.390 0.000 0.000 0.000 3/26244 810.0 1.082 0.628 2.362 0.000 0.000 0.000 3/26244 820.0 1.069 0.621 2.334 0.000 0.000 0.000 3/26244 830.0 1.057 0.614 2.308 0.000 0.000 0.000 3/26244 840.0 1.045 0.607 2.281 0.000 0.000 0.000 3/26244 850.0 1.033 0.600 2.256 0.000 0.000 0.000 3/26244 860.0 1.021 0.594 2.231 0.000 0.000 0.000 3/26244 870.0 1.010 0.588 2.206 0.000 0.000 0.000 3/26244 880.0 0.999 0.581 2.182 0.000 0.000 0.000 3/26244 890.0 0.988 0.575 2.159 0.000 0.000 0.000 3/26244 900.0 0.977 0.569 2.136 0.000 0.000 0.000 3/26244 910.0 0.967 0.563 2.113 0.000 0.000 0.000 3/26244 920.0 0.957 0.558 2.091 0.000 0.000 0.000 3/26244 930.0 0.947 0.552 2.069 0.000 0.000 0.000 3/26244 940.0 0.937 0.547 2.048 0.000 0.000 0.000 3/26244 950.0 0.927 0.541 2.028 0.000 0.000 0.000 3/26244 960.0 0.918 0.536 2.007 0.000 0.000 0.000 3/26244 970.0 0.909 0.531 1.987 0.000 0.000 0.000 3/26244 980.0 0.899 0.526 1.968 0.000 0.000 0.000 3/26244 990.0 0.891 0.521 1.948 0.000 0.000 0.000 3/26244 1000.0 0.882 0.516 1.930 0.000 0.000 0.000 3/26244 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:23:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|