----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:02:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.487266900000000 2.487266900000000 5.007188320000000 b 2.487266900000000 -2.487266900000000 5.007188320000000 c 2.487266900000000 2.487266900000000 -5.007188320000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 *3 Sc 0.25000000000000 0.75000000000000 0.50000000000000 44.956 4 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 *5 F 0.25711622094595 0.36890459869971 0.46497123609712 18.998 6 F 0.90393336260259 0.79214498484882 0.53502876390288 18.998 7 F 0.11890459869971 0.15393336260259 0.61178837775376 18.998 8 F 0.63109540130029 0.09606663739741 0.88821162224624 18.998 9 F 0.20785501515118 0.74288377905405 0.11178837775376 18.998 10 F 0.84606663739741 0.45785501515118 0.96497123609712 18.998 11 F 0.54214498484882 0.50711622094595 0.38821162224624 18.998 12 F 0.49288377905405 0.88109540130029 0.03502876390288 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.974533800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.974533800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.014376640000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 2 3 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 4 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 2 *5 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 3 6 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 4 7 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 3 8 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 4 *9 F 0.28837980692544 0.17659142917168 0.08052479177427 18.998 > 5 10 F 0.71162019307456 0.82340857082832 0.08052479177427 18.998 > 6 11 F 0.82340857082832 0.78837980692544 0.33052479177427 18.998 > 7 12 F 0.67659142917168 0.21162019307456 0.41947520822573 18.998 > 8 13 F 0.32340857082832 0.78837980692544 0.41947520822573 18.998 > 9 14 F 0.28837980692544 0.67659142917168 0.16947520822573 18.998 > 10 15 F 0.17659142917168 0.21162019307456 0.33052479177427 18.998 > 11 16 F 0.71162019307456 0.32340857082832 0.16947520822573 18.998 > 12 17 F 0.78837980692544 0.67659142917168 0.58052479177427 18.998 > 5 18 F 0.21162019307456 0.32340857082832 0.58052479177427 18.998 > 6 19 F 0.32340857082832 0.28837980692544 0.83052479177427 18.998 > 7 20 F 0.17659142917168 0.71162019307456 0.91947520822573 18.998 > 8 21 F 0.82340857082832 0.28837980692544 0.91947520822573 18.998 > 9 22 F 0.78837980692544 0.17659142917168 0.66947520822573 18.998 > 10 23 F 0.67659142917168 0.71162019307456 0.83052479177427 18.998 > 11 24 F 0.21162019307456 0.82340857082832 0.66947520822573 18.998 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.949067599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.949067599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.014376640000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 2 6 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 2 7 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 2 8 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 2 9 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 1 10 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 1 11 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 1 12 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 1 13 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 2 14 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 2 15 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 2 16 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 2 *17 Sc 0.25000000000000 0.00000000000000 0.25000000000000 44.956 > 3 18 Sc 0.75000000000000 0.00000000000000 0.25000000000000 44.956 > 3 19 Sc 0.25000000000000 0.50000000000000 0.25000000000000 44.956 > 3 20 Sc 0.75000000000000 0.50000000000000 0.25000000000000 44.956 > 3 21 Sc 0.25000000000000 0.25000000000000 0.00000000000000 44.956 > 4 22 Sc 0.75000000000000 0.25000000000000 0.00000000000000 44.956 > 4 23 Sc 0.25000000000000 0.75000000000000 0.00000000000000 44.956 > 4 24 Sc 0.75000000000000 0.75000000000000 0.00000000000000 44.956 > 4 25 Sc 0.00000000000000 0.25000000000000 0.75000000000000 44.956 > 3 26 Sc 0.50000000000000 0.25000000000000 0.75000000000000 44.956 > 3 27 Sc 0.00000000000000 0.75000000000000 0.75000000000000 44.956 > 3 28 Sc 0.50000000000000 0.75000000000000 0.75000000000000 44.956 > 3 29 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 4 30 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 > 4 31 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 4 32 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 4 *33 F 0.14418990346272 0.08829571458584 0.08052479177427 18.998 > 5 34 F 0.64418990346272 0.08829571458584 0.08052479177427 18.998 > 5 35 F 0.14418990346272 0.58829571458584 0.08052479177427 18.998 > 5 36 F 0.64418990346272 0.58829571458584 0.08052479177427 18.998 > 5 37 F 0.35581009653728 0.41170428541416 0.08052479177427 18.998 > 6 38 F 0.85581009653728 0.41170428541416 0.08052479177427 18.998 > 6 39 F 0.35581009653728 0.91170428541416 0.08052479177427 18.998 > 6 40 F 0.85581009653728 0.91170428541416 0.08052479177427 18.998 > 6 41 F 0.41170428541416 0.39418990346272 0.33052479177427 18.998 > 7 42 F 0.91170428541416 0.39418990346272 0.33052479177427 18.998 > 7 43 F 0.41170428541416 0.89418990346272 0.33052479177427 18.998 > 7 44 F 0.91170428541416 0.89418990346272 0.33052479177427 18.998 > 7 45 F 0.33829571458584 0.10581009653728 0.41947520822573 18.998 > 8 46 F 0.83829571458584 0.10581009653728 0.41947520822573 18.998 > 8 47 F 0.33829571458584 0.60581009653728 0.41947520822573 18.998 > 8 48 F 0.83829571458584 0.60581009653728 0.41947520822573 18.998 > 8 49 F 0.16170428541416 0.39418990346272 0.41947520822573 18.998 > 9 50 F 0.66170428541416 0.39418990346272 0.41947520822573 18.998 > 9 51 F 0.16170428541416 0.89418990346272 0.41947520822573 18.998 > 9 52 F 0.66170428541416 0.89418990346272 0.41947520822573 18.998 > 9 53 F 0.14418990346272 0.33829571458584 0.16947520822573 18.998 > 10 54 F 0.64418990346272 0.33829571458584 0.16947520822573 18.998 > 10 55 F 0.14418990346272 0.83829571458584 0.16947520822573 18.998 > 10 56 F 0.64418990346272 0.83829571458584 0.16947520822573 18.998 > 10 57 F 0.08829571458584 0.10581009653728 0.33052479177427 18.998 > 11 58 F 0.58829571458584 0.10581009653728 0.33052479177427 18.998 > 11 59 F 0.08829571458584 0.60581009653728 0.33052479177427 18.998 > 11 60 F 0.58829571458584 0.60581009653728 0.33052479177427 18.998 > 11 61 F 0.35581009653728 0.16170428541416 0.16947520822573 18.998 > 12 62 F 0.85581009653728 0.16170428541416 0.16947520822573 18.998 > 12 63 F 0.35581009653728 0.66170428541416 0.16947520822573 18.998 > 12 64 F 0.85581009653728 0.66170428541416 0.16947520822573 18.998 > 12 65 F 0.39418990346272 0.33829571458584 0.58052479177427 18.998 > 5 66 F 0.89418990346272 0.33829571458584 0.58052479177427 18.998 > 5 67 F 0.39418990346272 0.83829571458584 0.58052479177427 18.998 > 5 68 F 0.89418990346272 0.83829571458584 0.58052479177427 18.998 > 5 69 F 0.10581009653728 0.16170428541416 0.58052479177427 18.998 > 6 70 F 0.60581009653728 0.16170428541416 0.58052479177427 18.998 > 6 71 F 0.10581009653728 0.66170428541416 0.58052479177427 18.998 > 6 72 F 0.60581009653728 0.66170428541416 0.58052479177427 18.998 > 6 73 F 0.16170428541416 0.14418990346272 0.83052479177427 18.998 > 7 74 F 0.66170428541416 0.14418990346272 0.83052479177427 18.998 > 7 75 F 0.16170428541416 0.64418990346272 0.83052479177427 18.998 > 7 76 F 0.66170428541416 0.64418990346272 0.83052479177427 18.998 > 7 77 F 0.08829571458584 0.35581009653728 0.91947520822573 18.998 > 8 78 F 0.58829571458584 0.35581009653728 0.91947520822573 18.998 > 8 79 F 0.08829571458584 0.85581009653728 0.91947520822573 18.998 > 8 80 F 0.58829571458584 0.85581009653728 0.91947520822573 18.998 > 8 81 F 0.41170428541416 0.14418990346272 0.91947520822573 18.998 > 9 82 F 0.91170428541416 0.14418990346272 0.91947520822573 18.998 > 9 83 F 0.41170428541416 0.64418990346272 0.91947520822573 18.998 > 9 84 F 0.91170428541416 0.64418990346272 0.91947520822573 18.998 > 9 85 F 0.39418990346272 0.08829571458584 0.66947520822573 18.998 > 10 86 F 0.89418990346272 0.08829571458584 0.66947520822573 18.998 > 10 87 F 0.39418990346272 0.58829571458584 0.66947520822573 18.998 > 10 88 F 0.89418990346272 0.58829571458584 0.66947520822573 18.998 > 10 89 F 0.33829571458584 0.35581009653728 0.83052479177427 18.998 > 11 90 F 0.83829571458584 0.35581009653728 0.83052479177427 18.998 > 11 91 F 0.33829571458584 0.85581009653728 0.83052479177427 18.998 > 11 92 F 0.83829571458584 0.85581009653728 0.83052479177427 18.998 > 11 93 F 0.10581009653728 0.41170428541416 0.66947520822573 18.998 > 12 94 F 0.60581009653728 0.41170428541416 0.66947520822573 18.998 > 12 95 F 0.10581009653728 0.91170428541416 0.66947520822573 18.998 > 12 96 F 0.60581009653728 0.91170428541416 0.66947520822573 18.998 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5471377 0.0000003 0.0000000 -0.0000003 2.5471377 0.0000000 0.0000000 0.0000000 2.6651619 -------------------------- Born effective charges -------------------------- 1 Li 1.1903868 -0.0210130 0.0000000 0.0210130 1.1903868 0.0000000 0.0000000 0.0000000 0.9724668 2 Li 1.1903868 -0.0210130 0.0000000 0.0210130 1.1903868 0.0000000 0.0000000 0.0000000 0.9724668 3 Sc 3.4535047 0.0332727 0.0000000 -0.0332727 3.4535047 0.0000000 0.0000000 0.0000000 3.8842628 4 Sc 3.4535047 0.0332727 0.0000000 -0.0332727 3.4535047 0.0000000 0.0000000 0.0000000 3.8842628 5 F -1.0052660 -0.1648982 -0.1275099 -0.1587683 -1.3166798 0.4505124 -0.0773202 0.4079759 -1.2141824 6 F -1.0052660 -0.1648982 0.1275099 -0.1587683 -1.3166798 -0.4505124 0.0773202 -0.4079759 -1.2141824 7 F -1.3166798 0.1587683 -0.4505124 0.1648982 -1.0052660 -0.1275099 -0.4079759 -0.0773202 -1.2141824 8 F -1.3166798 0.1587683 -0.4505124 0.1648982 -1.0052660 -0.1275099 -0.4079759 -0.0773202 -1.2141824 9 F -1.3166798 0.1587683 0.4505124 0.1648982 -1.0052660 0.1275099 0.4079759 0.0773202 -1.2141824 10 F -1.0052660 -0.1648982 0.1275099 -0.1587683 -1.3166798 -0.4505124 0.0773202 -0.4079759 -1.2141824 11 F -1.3166798 0.1587683 0.4505124 0.1648982 -1.0052660 0.1275099 0.4079759 0.0773202 -1.2141824 12 F -1.0052660 -0.1648982 -0.1275099 -0.1587683 -1.3166798 0.4505124 -0.0773202 0.4079759 -1.2141824 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.587 Solver_block: 200 / 240 - Time: 0.565 Solver_block: 240 / 240 - Time: 0.284 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.452 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:02:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:02:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.487266900000000 2.487266900000000 5.007188320000000 b 2.487266900000000 -2.487266900000000 5.007188320000000 c 2.487266900000000 2.487266900000000 -5.007188320000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 3 Sc 0.25000000000000 0.75000000000000 0.50000000000000 44.956 4 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 5 F 0.25711622094595 0.36890459869971 0.46497123609712 18.998 6 F 0.90393336260259 0.79214498484882 0.53502876390288 18.998 7 F 0.11890459869971 0.15393336260259 0.61178837775376 18.998 8 F 0.63109540130029 0.09606663739741 0.88821162224624 18.998 9 F 0.20785501515118 0.74288377905405 0.11178837775376 18.998 10 F 0.84606663739741 0.45785501515118 0.96497123609712 18.998 11 F 0.54214498484882 0.50711622094595 0.38821162224624 18.998 12 F 0.49288377905405 0.88109540130029 0.03502876390288 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.949067599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.949067599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.014376640000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 5 6 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 5 7 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 5 8 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 5 9 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 1 10 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 1 11 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 1 12 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 1 13 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 5 14 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 5 15 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 5 16 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 5 17 Sc 0.25000000000000 0.00000000000000 0.25000000000000 44.956 > 17 18 Sc 0.75000000000000 0.00000000000000 0.25000000000000 44.956 > 17 19 Sc 0.25000000000000 0.50000000000000 0.25000000000000 44.956 > 17 20 Sc 0.75000000000000 0.50000000000000 0.25000000000000 44.956 > 17 21 Sc 0.25000000000000 0.25000000000000 0.00000000000000 44.956 > 21 22 Sc 0.75000000000000 0.25000000000000 0.00000000000000 44.956 > 21 23 Sc 0.25000000000000 0.75000000000000 0.00000000000000 44.956 > 21 24 Sc 0.75000000000000 0.75000000000000 0.00000000000000 44.956 > 21 25 Sc 0.00000000000000 0.25000000000000 0.75000000000000 44.956 > 17 26 Sc 0.50000000000000 0.25000000000000 0.75000000000000 44.956 > 17 27 Sc 0.00000000000000 0.75000000000000 0.75000000000000 44.956 > 17 28 Sc 0.50000000000000 0.75000000000000 0.75000000000000 44.956 > 17 29 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 21 30 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 > 21 31 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 21 32 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 21 33 F 0.14418990346272 0.08829571458584 0.08052479177427 18.998 > 33 34 F 0.64418990346272 0.08829571458584 0.08052479177427 18.998 > 33 35 F 0.14418990346272 0.58829571458584 0.08052479177427 18.998 > 33 36 F 0.64418990346272 0.58829571458584 0.08052479177427 18.998 > 33 37 F 0.35581009653728 0.41170428541416 0.08052479177427 18.998 > 37 38 F 0.85581009653728 0.41170428541416 0.08052479177427 18.998 > 37 39 F 0.35581009653728 0.91170428541416 0.08052479177427 18.998 > 37 40 F 0.85581009653728 0.91170428541416 0.08052479177427 18.998 > 37 41 F 0.41170428541416 0.39418990346272 0.33052479177427 18.998 > 41 42 F 0.91170428541416 0.39418990346272 0.33052479177427 18.998 > 41 43 F 0.41170428541416 0.89418990346272 0.33052479177427 18.998 > 41 44 F 0.91170428541416 0.89418990346272 0.33052479177427 18.998 > 41 45 F 0.33829571458584 0.10581009653728 0.41947520822573 18.998 > 45 46 F 0.83829571458584 0.10581009653728 0.41947520822573 18.998 > 45 47 F 0.33829571458584 0.60581009653728 0.41947520822573 18.998 > 45 48 F 0.83829571458584 0.60581009653728 0.41947520822573 18.998 > 45 49 F 0.16170428541416 0.39418990346272 0.41947520822573 18.998 > 49 50 F 0.66170428541416 0.39418990346272 0.41947520822573 18.998 > 49 51 F 0.16170428541416 0.89418990346272 0.41947520822573 18.998 > 49 52 F 0.66170428541416 0.89418990346272 0.41947520822573 18.998 > 49 53 F 0.14418990346272 0.33829571458584 0.16947520822573 18.998 > 53 54 F 0.64418990346272 0.33829571458584 0.16947520822573 18.998 > 53 55 F 0.14418990346272 0.83829571458584 0.16947520822573 18.998 > 53 56 F 0.64418990346272 0.83829571458584 0.16947520822573 18.998 > 53 57 F 0.08829571458584 0.10581009653728 0.33052479177427 18.998 > 57 58 F 0.58829571458584 0.10581009653728 0.33052479177427 18.998 > 57 59 F 0.08829571458584 0.60581009653728 0.33052479177427 18.998 > 57 60 F 0.58829571458584 0.60581009653728 0.33052479177427 18.998 > 57 61 F 0.35581009653728 0.16170428541416 0.16947520822573 18.998 > 61 62 F 0.85581009653728 0.16170428541416 0.16947520822573 18.998 > 61 63 F 0.35581009653728 0.66170428541416 0.16947520822573 18.998 > 61 64 F 0.85581009653728 0.66170428541416 0.16947520822573 18.998 > 61 65 F 0.39418990346272 0.33829571458584 0.58052479177427 18.998 > 33 66 F 0.89418990346272 0.33829571458584 0.58052479177427 18.998 > 33 67 F 0.39418990346272 0.83829571458584 0.58052479177427 18.998 > 33 68 F 0.89418990346272 0.83829571458584 0.58052479177427 18.998 > 33 69 F 0.10581009653728 0.16170428541416 0.58052479177427 18.998 > 37 70 F 0.60581009653728 0.16170428541416 0.58052479177427 18.998 > 37 71 F 0.10581009653728 0.66170428541416 0.58052479177427 18.998 > 37 72 F 0.60581009653728 0.66170428541416 0.58052479177427 18.998 > 37 73 F 0.16170428541416 0.14418990346272 0.83052479177427 18.998 > 41 74 F 0.66170428541416 0.14418990346272 0.83052479177427 18.998 > 41 75 F 0.16170428541416 0.64418990346272 0.83052479177427 18.998 > 41 76 F 0.66170428541416 0.64418990346272 0.83052479177427 18.998 > 41 77 F 0.08829571458584 0.35581009653728 0.91947520822573 18.998 > 45 78 F 0.58829571458584 0.35581009653728 0.91947520822573 18.998 > 45 79 F 0.08829571458584 0.85581009653728 0.91947520822573 18.998 > 45 80 F 0.58829571458584 0.85581009653728 0.91947520822573 18.998 > 45 81 F 0.41170428541416 0.14418990346272 0.91947520822573 18.998 > 49 82 F 0.91170428541416 0.14418990346272 0.91947520822573 18.998 > 49 83 F 0.41170428541416 0.64418990346272 0.91947520822573 18.998 > 49 84 F 0.91170428541416 0.64418990346272 0.91947520822573 18.998 > 49 85 F 0.39418990346272 0.08829571458584 0.66947520822573 18.998 > 53 86 F 0.89418990346272 0.08829571458584 0.66947520822573 18.998 > 53 87 F 0.39418990346272 0.58829571458584 0.66947520822573 18.998 > 53 88 F 0.89418990346272 0.58829571458584 0.66947520822573 18.998 > 53 89 F 0.33829571458584 0.35581009653728 0.83052479177427 18.998 > 57 90 F 0.83829571458584 0.35581009653728 0.83052479177427 18.998 > 57 91 F 0.33829571458584 0.85581009653728 0.83052479177427 18.998 > 57 92 F 0.83829571458584 0.85581009653728 0.83052479177427 18.998 > 57 93 F 0.10581009653728 0.41170428541416 0.66947520822573 18.998 > 61 94 F 0.60581009653728 0.41170428541416 0.66947520822573 18.998 > 61 95 F 0.10581009653728 0.91170428541416 0.66947520822573 18.998 > 61 96 F 0.60581009653728 0.91170428541416 0.66947520822573 18.998 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5471377 0.0000003 0.0000000 -0.0000003 2.5471377 0.0000000 0.0000000 0.0000000 2.6651619 -------------------------- Born effective charges -------------------------- 1 Li 1.1903868 -0.0210130 0.0000000 0.0210130 1.1903868 0.0000000 0.0000000 0.0000000 0.9724668 2 Li 1.1903868 -0.0210130 0.0000000 0.0210130 1.1903868 0.0000000 0.0000000 0.0000000 0.9724668 3 Sc 3.4535047 0.0332727 0.0000000 -0.0332727 3.4535047 0.0000000 0.0000000 0.0000000 3.8842628 4 Sc 3.4535047 0.0332727 0.0000000 -0.0332727 3.4535047 0.0000000 0.0000000 0.0000000 3.8842628 5 F -1.0052660 -0.1648982 -0.1275099 -0.1587683 -1.3166798 0.4505124 -0.0773202 0.4079759 -1.2141824 6 F -1.0052660 -0.1648982 0.1275099 -0.1587683 -1.3166798 -0.4505124 0.0773202 -0.4079759 -1.2141824 7 F -1.3166798 0.1587683 -0.4505124 0.1648982 -1.0052660 -0.1275099 -0.4079759 -0.0773202 -1.2141824 8 F -1.3166798 0.1587683 -0.4505124 0.1648982 -1.0052660 -0.1275099 -0.4079759 -0.0773202 -1.2141824 9 F -1.3166798 0.1587683 0.4505124 0.1648982 -1.0052660 0.1275099 0.4079759 0.0773202 -1.2141824 10 F -1.0052660 -0.1648982 0.1275099 -0.1587683 -1.3166798 -0.4505124 0.0773202 -0.4079759 -1.2141824 11 F -1.3166798 0.1587683 0.4505124 0.1648982 -1.0052660 0.1275099 0.4079759 0.0773202 -1.2141824 12 F -1.0052660 -0.1648982 -0.1275099 -0.1587683 -1.3166798 0.4505124 -0.0773202 0.4079759 -1.2141824 ---------------------------------------------------------------------------- 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 0.0000 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 0.0000 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xzy) -0.00000001 (xzy) -0.00000001 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:03:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:03:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.487266900000000 2.487266900000000 5.007188320000000 b 2.487266900000000 -2.487266900000000 5.007188320000000 c 2.487266900000000 2.487266900000000 -5.007188320000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 3 Sc 0.25000000000000 0.75000000000000 0.50000000000000 44.956 4 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 5 F 0.25711622094595 0.36890459869971 0.46497123609712 18.998 6 F 0.90393336260259 0.79214498484882 0.53502876390288 18.998 7 F 0.11890459869971 0.15393336260259 0.61178837775376 18.998 8 F 0.63109540130029 0.09606663739741 0.88821162224624 18.998 9 F 0.20785501515118 0.74288377905405 0.11178837775376 18.998 10 F 0.84606663739741 0.45785501515118 0.96497123609712 18.998 11 F 0.54214498484882 0.50711622094595 0.38821162224624 18.998 12 F 0.49288377905405 0.88109540130029 0.03502876390288 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.949067599999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.949067599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.014376640000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 5 6 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 5 7 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 5 8 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 5 9 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 1 10 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 1 11 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 1 12 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 1 13 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 5 14 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 5 15 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 5 16 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 5 17 Sc 0.25000000000000 0.00000000000000 0.25000000000000 44.956 > 17 18 Sc 0.75000000000000 0.00000000000000 0.25000000000000 44.956 > 17 19 Sc 0.25000000000000 0.50000000000000 0.25000000000000 44.956 > 17 20 Sc 0.75000000000000 0.50000000000000 0.25000000000000 44.956 > 17 21 Sc 0.25000000000000 0.25000000000000 0.00000000000000 44.956 > 21 22 Sc 0.75000000000000 0.25000000000000 0.00000000000000 44.956 > 21 23 Sc 0.25000000000000 0.75000000000000 0.00000000000000 44.956 > 21 24 Sc 0.75000000000000 0.75000000000000 0.00000000000000 44.956 > 21 25 Sc 0.00000000000000 0.25000000000000 0.75000000000000 44.956 > 17 26 Sc 0.50000000000000 0.25000000000000 0.75000000000000 44.956 > 17 27 Sc 0.00000000000000 0.75000000000000 0.75000000000000 44.956 > 17 28 Sc 0.50000000000000 0.75000000000000 0.75000000000000 44.956 > 17 29 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 21 30 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 > 21 31 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 21 32 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 21 33 F 0.14418990346272 0.08829571458584 0.08052479177427 18.998 > 33 34 F 0.64418990346272 0.08829571458584 0.08052479177427 18.998 > 33 35 F 0.14418990346272 0.58829571458584 0.08052479177427 18.998 > 33 36 F 0.64418990346272 0.58829571458584 0.08052479177427 18.998 > 33 37 F 0.35581009653728 0.41170428541416 0.08052479177427 18.998 > 37 38 F 0.85581009653728 0.41170428541416 0.08052479177427 18.998 > 37 39 F 0.35581009653728 0.91170428541416 0.08052479177427 18.998 > 37 40 F 0.85581009653728 0.91170428541416 0.08052479177427 18.998 > 37 41 F 0.41170428541416 0.39418990346272 0.33052479177427 18.998 > 41 42 F 0.91170428541416 0.39418990346272 0.33052479177427 18.998 > 41 43 F 0.41170428541416 0.89418990346272 0.33052479177427 18.998 > 41 44 F 0.91170428541416 0.89418990346272 0.33052479177427 18.998 > 41 45 F 0.33829571458584 0.10581009653728 0.41947520822573 18.998 > 45 46 F 0.83829571458584 0.10581009653728 0.41947520822573 18.998 > 45 47 F 0.33829571458584 0.60581009653728 0.41947520822573 18.998 > 45 48 F 0.83829571458584 0.60581009653728 0.41947520822573 18.998 > 45 49 F 0.16170428541416 0.39418990346272 0.41947520822573 18.998 > 49 50 F 0.66170428541416 0.39418990346272 0.41947520822573 18.998 > 49 51 F 0.16170428541416 0.89418990346272 0.41947520822573 18.998 > 49 52 F 0.66170428541416 0.89418990346272 0.41947520822573 18.998 > 49 53 F 0.14418990346272 0.33829571458584 0.16947520822573 18.998 > 53 54 F 0.64418990346272 0.33829571458584 0.16947520822573 18.998 > 53 55 F 0.14418990346272 0.83829571458584 0.16947520822573 18.998 > 53 56 F 0.64418990346272 0.83829571458584 0.16947520822573 18.998 > 53 57 F 0.08829571458584 0.10581009653728 0.33052479177427 18.998 > 57 58 F 0.58829571458584 0.10581009653728 0.33052479177427 18.998 > 57 59 F 0.08829571458584 0.60581009653728 0.33052479177427 18.998 > 57 60 F 0.58829571458584 0.60581009653728 0.33052479177427 18.998 > 57 61 F 0.35581009653728 0.16170428541416 0.16947520822573 18.998 > 61 62 F 0.85581009653728 0.16170428541416 0.16947520822573 18.998 > 61 63 F 0.35581009653728 0.66170428541416 0.16947520822573 18.998 > 61 64 F 0.85581009653728 0.66170428541416 0.16947520822573 18.998 > 61 65 F 0.39418990346272 0.33829571458584 0.58052479177427 18.998 > 33 66 F 0.89418990346272 0.33829571458584 0.58052479177427 18.998 > 33 67 F 0.39418990346272 0.83829571458584 0.58052479177427 18.998 > 33 68 F 0.89418990346272 0.83829571458584 0.58052479177427 18.998 > 33 69 F 0.10581009653728 0.16170428541416 0.58052479177427 18.998 > 37 70 F 0.60581009653728 0.16170428541416 0.58052479177427 18.998 > 37 71 F 0.10581009653728 0.66170428541416 0.58052479177427 18.998 > 37 72 F 0.60581009653728 0.66170428541416 0.58052479177427 18.998 > 37 73 F 0.16170428541416 0.14418990346272 0.83052479177427 18.998 > 41 74 F 0.66170428541416 0.14418990346272 0.83052479177427 18.998 > 41 75 F 0.16170428541416 0.64418990346272 0.83052479177427 18.998 > 41 76 F 0.66170428541416 0.64418990346272 0.83052479177427 18.998 > 41 77 F 0.08829571458584 0.35581009653728 0.91947520822573 18.998 > 45 78 F 0.58829571458584 0.35581009653728 0.91947520822573 18.998 > 45 79 F 0.08829571458584 0.85581009653728 0.91947520822573 18.998 > 45 80 F 0.58829571458584 0.85581009653728 0.91947520822573 18.998 > 45 81 F 0.41170428541416 0.14418990346272 0.91947520822573 18.998 > 49 82 F 0.91170428541416 0.14418990346272 0.91947520822573 18.998 > 49 83 F 0.41170428541416 0.64418990346272 0.91947520822573 18.998 > 49 84 F 0.91170428541416 0.64418990346272 0.91947520822573 18.998 > 49 85 F 0.39418990346272 0.08829571458584 0.66947520822573 18.998 > 53 86 F 0.89418990346272 0.08829571458584 0.66947520822573 18.998 > 53 87 F 0.39418990346272 0.58829571458584 0.66947520822573 18.998 > 53 88 F 0.89418990346272 0.58829571458584 0.66947520822573 18.998 > 53 89 F 0.33829571458584 0.35581009653728 0.83052479177427 18.998 > 57 90 F 0.83829571458584 0.35581009653728 0.83052479177427 18.998 > 57 91 F 0.33829571458584 0.85581009653728 0.83052479177427 18.998 > 57 92 F 0.83829571458584 0.85581009653728 0.83052479177427 18.998 > 57 93 F 0.10581009653728 0.41170428541416 0.66947520822573 18.998 > 61 94 F 0.60581009653728 0.41170428541416 0.66947520822573 18.998 > 61 95 F 0.10581009653728 0.91170428541416 0.66947520822573 18.998 > 61 96 F 0.60581009653728 0.91170428541416 0.66947520822573 18.998 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5471377 0.0000003 0.0000000 -0.0000003 2.5471377 0.0000000 0.0000000 0.0000000 2.6651619 -------------------------- Born effective charges -------------------------- 1 Li 1.1903868 -0.0210130 0.0000000 0.0210130 1.1903868 0.0000000 0.0000000 0.0000000 0.9724668 2 Li 1.1903868 -0.0210130 0.0000000 0.0210130 1.1903868 0.0000000 0.0000000 0.0000000 0.9724668 3 Sc 3.4535047 0.0332727 0.0000000 -0.0332727 3.4535047 0.0000000 0.0000000 0.0000000 3.8842628 4 Sc 3.4535047 0.0332727 0.0000000 -0.0332727 3.4535047 0.0000000 0.0000000 0.0000000 3.8842628 5 F -1.0052660 -0.1648982 -0.1275099 -0.1587683 -1.3166798 0.4505124 -0.0773202 0.4079759 -1.2141824 6 F -1.0052660 -0.1648982 0.1275099 -0.1587683 -1.3166798 -0.4505124 0.0773202 -0.4079759 -1.2141824 7 F -1.3166798 0.1587683 -0.4505124 0.1648982 -1.0052660 -0.1275099 -0.4079759 -0.0773202 -1.2141824 8 F -1.3166798 0.1587683 -0.4505124 0.1648982 -1.0052660 -0.1275099 -0.4079759 -0.0773202 -1.2141824 9 F -1.3166798 0.1587683 0.4505124 0.1648982 -1.0052660 0.1275099 0.4079759 0.0773202 -1.2141824 10 F -1.0052660 -0.1648982 0.1275099 -0.1587683 -1.3166798 -0.4505124 0.0773202 -0.4079759 -1.2141824 11 F -1.3166798 0.1587683 0.4505124 0.1648982 -1.0052660 0.1275099 0.4079759 0.0773202 -1.2141824 12 F -1.0052660 -0.1648982 -0.1275099 -0.1587683 -1.3166798 0.4505124 -0.0773202 0.4079759 -1.2141824 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xzy) -0.00000001 (xzy) -0.00000001 (xyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 5 10 20 ] Grid generation matrix: [ 0 10 10 ] [ 10 0 10 ] [ 5 5 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.83, Number of G-points: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/156) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 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 4.437 ( 0.000 -0.000 0.000) 0.000 4.514 ( 0.000 -0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 6.634 ( 0.000 0.000 -0.000) 0.000 7.271 ( 0.000 0.000 -0.000) 0.000 7.561 ( 0.000 0.000 0.000) 0.000 7.561 ( 0.000 -0.000 0.000) 0.000 7.950 ( 0.000 0.000 0.000) 0.000 8.623 ( 0.000 0.000 0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 8.795 ( -0.000 0.000 0.000) 0.000 9.847 ( 0.000 -0.000 0.000) 0.000 9.847 ( 0.000 -0.000 -0.000) 0.000 10.428 ( 0.000 0.000 -0.000) 0.000 10.700 ( 0.000 -0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 -0.000 0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 11.739 ( 0.000 -0.000 -0.000) 0.000 12.370 ( 0.000 0.000 0.000) 0.000 12.370 ( 0.000 -0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 14.023 ( 0.000 -0.000 -0.000) 0.000 14.270 ( -0.000 0.000 0.000) 0.000 14.339 ( 0.000 -0.000 0.000) 0.000 14.418 ( 0.000 -0.000 0.000) 0.000 14.418 ( 0.000 -0.000 -0.000) 0.000 15.632 ( 0.000 -0.000 -0.000) 0.000 15.632 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 1 (2/156) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 14.599 6.456 17.640) 23.790 1.617 ( 23.089 2.125 29.834) 37.784 2.810 ( 47.373 -3.111 23.799) 53.106 4.406 ( -4.860 -1.584 -4.189) 6.609 4.644 ( 7.017 1.539 -10.678) 12.870 4.856 ( 5.924 -10.512 -6.018) 13.484 5.192 ( -0.920 5.247 -12.356) 13.456 5.719 ( 9.058 1.390 -3.002) 9.643 5.816 ( 7.024 0.332 -4.235) 8.208 6.336 ( 8.228 -2.580 3.322) 9.241 6.784 ( -10.519 5.342 0.605) 11.813 6.971 ( 6.508 0.951 10.859) 12.695 7.296 ( -13.871 -6.957 0.468) 15.525 7.906 ( 10.436 -1.322 -12.233) 16.134 8.246 ( -7.285 13.551 10.084) 18.395 8.483 ( -0.206 -1.518 10.874) 10.982 8.862 ( 4.005 -6.384 -11.123) 13.435 9.165 ( 5.356 -1.150 -19.208) 19.974 9.935 ( -10.617 1.309 3.286) 11.191 10.078 ( 1.577 6.488 13.608) 15.158 10.311 ( -0.962 -6.546 7.997) 10.379 10.736 ( 0.825 -3.594 1.941) 4.167 10.948 ( -11.683 18.636 -4.284) 22.409 11.186 ( -11.307 -16.245 3.719) 20.139 11.452 ( -1.587 -5.761 2.468) 6.465 12.487 ( -6.248 3.698 -5.643) 9.195 12.662 ( -18.789 -9.229 -0.282) 20.935 12.836 ( 6.426 4.819 5.532) 9.753 13.266 ( -2.271 13.867 7.616) 15.983 13.467 ( -3.230 -0.247 -2.881) 4.335 14.202 ( -8.860 6.951 5.070) 12.350 14.703 ( 10.332 -3.230 1.877) 10.987 14.886 ( 9.068 -13.082 8.233) 17.920 15.454 ( -7.173 -3.293 2.721) 8.349 15.802 ( 7.134 5.014 6.589) 10.929 18.701 ( 3.610 1.613 -27.018) 27.306 ======================= Grid point 2 (3/156) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 8.989 5.175 9.336) 13.954 2.893 ( 11.614 -0.333 23.590) 26.296 3.682 ( -7.539 0.210 -18.199) 19.700 4.261 ( 4.542 0.248 14.240) 14.949 4.922 ( 3.981 0.157 -4.859) 6.284 5.163 ( 6.083 -5.970 1.195) 8.607 5.502 ( 22.078 -6.181 -3.069) 23.132 5.780 ( 1.014 3.691 -15.539) 16.004 6.036 ( 3.148 2.962 -0.468) 4.348 6.320 ( -3.430 3.423 6.084) 7.778 6.653 ( -6.550 2.257 7.229) 10.012 6.835 ( -4.173 -5.734 -2.929) 7.673 7.577 ( -3.165 -1.544 -2.186) 4.145 7.700 ( 15.315 -9.151 7.167) 19.227 8.388 ( -4.107 11.835 -12.285) 17.546 8.554 ( 7.051 9.686 5.495) 13.181 8.809 ( -1.498 -7.381 -6.813) 10.155 9.223 ( 4.457 -3.474 -1.403) 5.823 9.562 ( -5.023 0.519 -6.359) 8.120 10.090 ( -0.898 15.087 1.513) 15.189 10.391 ( -1.373 -2.305 11.307) 11.621 10.742 ( -9.530 -7.149 10.203) 15.685 10.857 ( -1.154 -0.441 -2.053) 2.396 11.028 ( 0.855 -5.558 -0.511) 5.647 11.626 ( 7.966 -14.998 0.593) 16.993 11.861 ( -9.304 9.569 4.190) 13.989 12.177 ( -2.521 -2.181 -6.172) 7.015 12.506 ( -16.913 8.519 -5.222) 19.644 13.132 ( 3.419 1.293 1.072) 3.809 13.475 ( -11.233 1.854 3.275) 11.846 14.310 ( 15.903 6.374 -6.886) 18.465 14.799 ( -13.026 -6.085 4.365) 15.025 15.071 ( 5.422 -4.913 0.960) 7.379 15.428 ( -0.686 -1.153 1.545) 2.046 16.540 ( 11.150 2.068 16.821) 20.286 18.168 ( -5.573 1.062 -16.498) 17.446 ======================= Grid point 5 (4/156) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 21.189 21.071 -0.000) 29.883 1.081 ( 36.405 16.403 -0.000) 39.930 1.638 ( 29.845 42.976 0.000) 52.322 4.371 ( -2.975 0.488 0.000) 3.015 4.530 ( -1.565 2.657 0.000) 3.084 5.127 ( -10.874 -13.013 -0.000) 16.958 5.651 ( 3.988 10.917 0.000) 11.623 5.674 ( 13.185 2.524 -0.000) 13.425 5.680 ( -1.879 2.822 0.000) 3.390 6.122 ( 8.235 7.140 -0.000) 10.899 6.722 ( 4.071 5.146 0.000) 6.561 6.974 ( -4.370 -14.426 -0.000) 15.074 7.357 ( -13.856 2.130 0.000) 14.019 7.837 ( 14.634 2.705 -0.000) 14.882 8.213 ( 7.117 9.438 0.000) 11.820 8.288 ( -5.009 -15.620 -0.000) 16.404 9.030 ( -5.940 18.498 0.000) 19.429 9.416 ( 12.538 -6.520 -0.000) 14.132 9.703 ( -11.488 -3.568 0.000) 12.030 9.879 ( 3.920 -1.707 -0.000) 4.275 10.425 ( -2.019 1.357 0.000) 2.433 10.671 ( -2.901 -0.543 0.000) 2.951 10.961 ( -13.782 -18.023 -0.000) 22.689 11.450 ( -4.018 7.863 0.000) 8.830 11.632 ( 0.347 -0.993 -0.000) 1.051 12.541 ( 3.258 12.771 0.000) 13.180 12.542 ( -11.910 -23.496 -0.000) 26.342 12.868 ( 19.841 12.889 -0.000) 23.660 12.979 ( -4.292 -4.618 -0.000) 6.305 13.889 ( 4.427 -15.561 -0.000) 16.179 14.179 ( -4.643 -3.551 0.000) 5.845 14.497 ( 4.246 5.744 0.000) 7.143 14.600 ( -2.989 17.672 0.000) 17.923 15.551 ( -7.346 -0.915 0.000) 7.403 15.663 ( 4.864 -2.322 -0.000) 5.390 19.061 ( -3.853 -5.947 -0.000) 7.086 ======================= Grid point 6 (5/156) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 16.668 31.684 5.686) 36.250 2.161 ( 16.391 10.081 24.180) 30.903 3.477 ( 24.254 -5.724 15.411) 29.300 4.295 ( -4.835 1.893 -7.682) 9.272 4.745 ( 2.696 2.335 7.620) 8.413 4.795 ( 17.871 -13.476 -7.133) 23.491 5.302 ( 2.636 -0.364 -19.823) 20.000 5.968 ( 4.122 6.697 -2.303) 8.195 6.149 ( 13.112 10.718 -2.175) 17.074 6.229 ( -7.275 -7.343 8.491) 13.377 6.775 ( -10.972 8.967 2.111) 14.327 6.976 ( -4.706 -2.511 -2.317) 5.816 7.166 ( 10.473 -1.548 7.146) 12.773 7.788 ( -3.177 -3.408 -9.518) 10.597 8.401 ( 3.511 -5.450 10.127) 12.024 8.610 ( 2.348 -3.560 -6.950) 8.155 8.753 ( -3.384 -1.700 -7.580) 8.473 9.220 ( 3.738 2.680 -1.390) 4.805 9.722 ( -3.401 -4.895 -2.022) 6.294 10.124 ( -1.738 -4.481 2.113) 5.250 10.240 ( -4.049 0.670 16.063) 16.579 10.652 ( 3.714 -15.903 -1.432) 16.393 10.728 ( -3.727 5.201 2.098) 6.734 11.179 ( -3.134 13.305 -1.158) 13.718 11.391 ( -2.485 2.828 2.238) 4.380 12.077 ( -14.322 -3.968 0.898) 14.888 12.478 ( -8.618 4.803 -7.413) 12.341 12.942 ( 4.509 -1.748 1.974) 5.223 13.360 ( -13.761 15.619 -10.485) 23.308 13.724 ( 4.338 13.712 3.871) 14.894 14.169 ( 3.980 -4.266 5.304) 7.885 14.622 ( 2.404 -8.176 3.436) 9.188 14.890 ( 2.916 -5.675 -3.127) 7.106 15.243 ( -3.738 -6.443 8.998) 11.681 16.050 ( 10.751 1.088 9.579) 14.441 18.608 ( -7.663 -6.699 -16.035) 18.993 ======================= Grid point 7 (6/156) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 1.341 26.271 -5.774) 26.931 3.070 ( 7.511 2.095 20.492) 21.925 3.615 ( -5.804 4.915 -15.551) 17.311 4.251 ( -2.525 -3.299 14.107) 14.706 4.958 ( 4.710 -3.915 -8.928) 10.827 5.234 ( 7.329 2.391 6.645) 10.177 5.508 ( -9.595 -5.510 6.985) 13.085 5.878 ( -4.863 3.200 -10.135) 11.688 6.162 ( 9.030 -3.624 5.853) 11.355 6.293 ( -5.322 6.899 -4.756) 9.926 6.531 ( -7.062 -7.650 -5.181) 11.629 6.774 ( 8.532 4.127 6.213) 11.333 7.576 ( 1.703 -2.371 -2.067) 3.577 7.737 ( 9.920 -12.188 0.380) 15.719 8.312 ( -3.921 -14.582 0.321) 15.104 8.425 ( -13.034 1.231 -8.140) 15.416 8.824 ( 0.046 1.587 10.008) 10.133 9.351 ( -0.070 6.099 1.269) 6.230 9.368 ( -5.776 -6.298 0.167) 8.547 10.104 ( -9.268 -4.176 -1.813) 10.325 10.380 ( 7.983 -5.007 -1.608) 9.559 10.739 ( 12.572 5.061 -1.627) 13.650 10.833 ( 3.854 -0.883 -3.999) 5.623 11.159 ( -2.409 14.334 5.269) 15.461 11.481 ( 3.634 -7.828 -5.508) 10.238 11.932 ( 5.183 2.049 6.897) 8.868 12.261 ( 6.847 5.656 -2.855) 9.329 12.552 ( -13.044 21.460 -7.427) 26.189 12.970 ( -3.546 -6.163 2.476) 7.529 13.646 ( -1.094 17.100 0.733) 17.151 14.322 ( -17.334 -9.352 7.475) 21.067 14.694 ( 11.711 1.580 -1.994) 11.984 15.006 ( 4.369 -9.166 2.567) 10.473 15.409 ( 5.196 -4.520 -4.872) 8.436 16.735 ( 5.711 -0.073 6.872) 8.935 17.940 ( -8.307 -9.419 -6.286) 14.044 ======================= Grid point 8 (7/156) ======================= q-point: ( 0.00 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -6.765 25.271 -16.809) 31.096 2.625 ( -18.027 4.651 -23.826) 30.237 3.832 ( -0.454 -2.346 -3.919) 4.590 4.064 ( -9.196 1.811 5.440) 10.837 4.728 ( -7.834 -7.175 -1.254) 10.697 5.035 ( -21.725 3.995 25.078) 33.419 5.168 ( -5.780 -0.760 -15.962) 16.993 5.728 ( -5.151 6.028 16.241) 18.073 5.957 ( -6.419 4.752 -3.273) 8.631 6.454 ( 14.253 0.780 -1.634) 14.367 6.732 ( -5.312 0.457 -13.476) 14.492 6.949 ( 9.221 0.589 12.721) 15.722 7.495 ( -17.907 4.882 -5.358) 19.319 7.752 ( 4.095 -5.808 2.458) 7.519 8.024 ( 5.664 -13.951 -6.755) 16.503 8.552 ( 3.071 6.792 8.439) 11.260 8.686 ( -3.443 -7.293 11.393) 13.959 9.217 ( -12.318 6.187 6.823) 15.380 9.572 ( 3.457 -5.812 7.042) 9.763 9.945 ( 10.729 -8.470 2.778) 13.949 10.462 ( 2.654 -7.332 -19.319) 20.833 10.661 ( 4.402 -2.779 -7.282) 8.951 11.082 ( -9.929 8.627 -4.546) 13.917 11.350 ( 7.765 13.388 0.019) 15.477 11.606 ( 1.362 -9.527 2.558) 9.958 12.059 ( 14.398 1.463 -14.515) 20.497 12.378 ( 7.471 7.255 6.385) 12.215 12.825 ( 12.999 6.478 6.748) 16.015 13.156 ( 3.807 6.832 -0.269) 7.825 13.666 ( -3.185 0.826 -4.846) 5.857 13.878 ( -0.269 -9.754 6.267) 11.597 14.802 ( -6.118 -8.503 2.585) 10.790 15.221 ( 4.577 3.018 -4.402) 7.031 15.518 ( 5.976 5.023 -5.981) 9.834 16.207 ( -14.746 -5.246 -20.053) 25.438 18.156 ( 2.139 -5.663 22.248) 23.057 ======================= Grid point 9 (8/156) ======================= q-point: ( 0.00 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -21.750 13.969 -22.298) 34.138 1.261 ( -13.843 31.137 -16.614) 37.910 2.096 ( -28.479 22.584 -43.477) 56.669 4.374 ( -1.664 -2.796 7.748) 8.404 4.496 ( 1.993 -0.287 0.005) 2.014 4.874 ( -10.268 5.913 16.969) 20.697 5.248 ( 9.689 -5.079 8.589) 13.909 5.648 ( -6.901 7.552 1.143) 10.294 5.729 ( -6.713 5.559 8.968) 12.506 6.214 ( -6.409 5.644 -4.569) 9.685 6.830 ( -4.075 2.675 -10.531) 11.605 7.034 ( 11.161 -2.920 -1.770) 11.671 7.456 ( -4.115 -11.256 2.130) 12.172 7.696 ( -1.007 9.232 13.223) 16.158 8.250 ( 9.368 -4.868 -5.743) 12.018 8.601 ( 6.680 0.463 -17.634) 18.862 8.904 ( -11.428 -2.807 10.206) 15.577 9.086 ( 2.059 2.362 17.310) 17.592 9.880 ( 5.760 -4.850 -6.941) 10.241 10.166 ( 5.242 2.312 -3.697) 6.819 10.331 ( -10.522 2.855 -5.556) 12.237 10.726 ( 13.116 -13.751 -2.376) 19.150 11.002 ( 14.930 -7.064 -3.564) 16.897 11.399 ( -9.081 -4.929 4.525) 11.279 11.640 ( 1.553 -0.930 -1.088) 2.112 12.379 ( 1.874 -2.795 -0.712) 3.440 12.742 ( -2.626 3.478 2.236) 4.898 12.957 ( 3.723 -15.475 -15.351) 22.114 13.199 ( 12.886 6.250 -14.731) 20.545 13.751 ( 4.645 1.079 8.265) 9.542 14.281 ( 14.672 -2.135 -7.778) 16.743 14.556 ( -2.309 3.747 -5.575) 7.103 14.725 ( -18.724 -5.351 -10.377) 22.066 15.570 ( -0.752 -6.268 -1.837) 6.575 15.695 ( 1.567 6.526 -3.498) 7.569 18.568 ( -10.224 11.940 36.793) 40.010 ======================= Grid point 10 (9/156) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 17.083 16.220 -0.000) 23.557 2.104 ( 34.821 13.662 -0.000) 37.406 2.777 ( 13.592 25.016 0.000) 28.470 4.410 ( -1.188 6.209 0.000) 6.321 4.614 ( 0.739 8.864 0.000) 8.895 4.787 ( -2.216 -5.635 -0.000) 6.055 5.684 ( -4.598 3.065 0.000) 5.526 6.001 ( 14.000 2.744 -0.000) 14.266 6.063 ( -9.272 -9.746 -0.000) 13.452 6.069 ( 8.891 13.906 0.000) 16.506 6.850 ( 8.607 -4.014 -0.000) 9.497 7.007 ( 4.658 12.412 0.000) 13.257 7.143 ( -8.115 -0.529 0.000) 8.132 7.940 ( -3.040 -7.234 -0.000) 7.847 7.951 ( -1.954 -9.672 -0.000) 9.868 8.531 ( 8.021 4.898 -0.000) 9.398 9.248 ( -2.146 10.274 0.000) 10.496 9.264 ( -22.601 -0.178 0.000) 22.601 9.539 ( 12.349 -6.310 -0.000) 13.868 9.846 ( 1.123 -8.445 -0.000) 8.519 10.309 ( -2.116 -17.559 -0.000) 17.686 10.345 ( -10.387 -0.375 0.000) 10.394 10.891 ( 3.746 12.805 0.000) 13.341 11.264 ( -15.293 -8.408 0.000) 17.452 11.656 ( 0.440 1.890 0.000) 1.940 12.100 ( 5.868 -6.692 -0.000) 8.900 12.745 ( -6.947 -6.442 0.000) 9.474 12.956 ( 7.297 15.999 0.000) 17.585 13.528 ( 21.868 11.776 -0.000) 24.837 13.659 ( 4.678 -14.373 -0.000) 15.115 13.985 ( -9.522 -0.581 0.000) 9.539 14.589 ( 3.274 -6.009 -0.000) 6.843 14.924 ( -6.468 23.419 0.000) 24.296 15.282 ( -15.199 -3.811 0.000) 15.670 15.710 ( 9.025 -7.141 -0.000) 11.509 18.752 ( -9.115 -12.199 -0.000) 15.228 ======================= Grid point 11 (10/156) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 11.377 3.625 18.606) 22.108 2.854 ( 12.619 31.553 0.042) 33.983 3.635 ( 3.728 -2.073 13.237) 13.908 4.302 ( -2.481 3.916 -6.446) 7.941 4.833 ( 6.689 3.095 1.083) 7.450 5.094 ( 18.998 -3.106 1.855) 19.339 5.289 ( -0.030 -2.212 -17.866) 18.002 5.804 ( -11.939 -10.346 16.101) 22.557 6.209 ( 0.504 8.993 -2.986) 9.490 6.552 ( 8.259 6.237 -3.232) 10.843 6.695 ( -9.761 4.670 0.602) 10.837 6.820 ( -6.571 -2.374 -7.645) 10.357 7.258 ( 3.882 -7.246 6.060) 10.213 7.736 ( -1.219 -13.168 -1.810) 13.348 7.949 ( -2.144 -10.068 -8.279) 13.210 8.562 ( 0.798 1.883 9.435) 9.654 8.847 ( -3.758 2.827 -10.079) 11.122 9.326 ( -0.167 -0.926 6.660) 6.727 9.475 ( -8.527 -7.127 -6.583) 12.917 9.951 ( -6.102 -8.136 12.659) 16.238 10.041 ( 11.749 -14.894 -9.361) 21.154 10.568 ( 9.847 -6.068 4.429) 12.386 11.085 ( 5.801 18.450 -0.867) 19.360 11.314 ( 6.535 3.292 1.473) 7.464 11.505 ( -2.146 12.241 3.173) 12.826 11.936 ( -10.525 9.246 -1.232) 14.064 12.380 ( -6.252 3.678 0.185) 7.256 13.076 ( -0.762 10.295 -4.475) 11.252 13.351 ( -9.469 6.964 -13.473) 17.880 13.813 ( -3.341 -6.595 7.242) 10.349 14.397 ( 6.073 7.164 3.169) 9.912 14.602 ( -9.019 10.466 5.591) 14.904 14.676 ( 1.971 -8.152 -1.385) 8.501 15.108 ( 10.239 -13.147 1.753) 16.756 16.266 ( 13.642 -3.958 9.127) 16.884 18.145 ( -14.791 -16.384 -10.086) 24.268 ======================= Grid point 12 (11/156) ======================= q-point: ( 0.00 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -4.111 19.478 -4.724) 20.460 3.342 ( -1.197 11.205 -5.877) 12.710 3.679 ( 0.388 12.467 6.374) 14.008 4.044 ( -6.241 -5.976 7.608) 11.513 4.950 ( -3.689 -6.403 -4.539) 8.672 5.003 ( -21.552 -3.339 7.650) 23.112 5.515 ( 6.030 7.429 17.313) 19.781 5.601 ( -9.600 -6.951 -11.592) 16.579 6.238 ( 5.168 -2.891 -7.969) 9.928 6.450 ( -2.175 10.785 -8.219) 13.733 6.477 ( 8.417 2.965 6.194) 10.863 6.971 ( 5.229 -1.623 -0.905) 5.549 7.337 ( -0.456 -15.180 4.742) 15.910 7.753 ( 5.601 -3.900 -1.437) 6.975 8.044 ( -6.682 -5.193 3.350) 9.101 8.264 ( -0.091 0.127 -0.492) 0.516 8.642 ( -7.841 -5.755 -3.833) 10.454 9.181 ( 3.056 -8.293 7.502) 11.593 9.352 ( -6.740 0.797 7.011) 9.758 9.949 ( -5.557 4.372 -0.996) 7.141 10.396 ( 14.406 -17.831 -14.790) 27.281 10.789 ( -2.215 3.596 -5.006) 6.549 11.108 ( 7.284 -2.018 -3.118) 8.176 11.378 ( -1.237 10.456 -0.504) 10.541 11.606 ( 0.707 9.784 -2.389) 10.096 12.164 ( 15.329 0.323 7.932) 17.263 12.566 ( 11.220 8.753 -0.122) 14.231 12.634 ( -11.829 11.212 -7.127) 17.788 13.104 ( 5.704 11.632 5.367) 14.023 13.641 ( -12.978 -12.569 6.350) 19.150 13.997 ( -8.753 15.691 3.023) 18.220 14.563 ( -4.673 -13.436 8.331) 16.485 15.157 ( 12.399 -3.931 -9.585) 16.157 15.546 ( 14.421 2.942 -6.739) 16.187 16.692 ( -7.774 -6.016 -9.770) 13.859 17.555 ( -0.712 -14.605 11.080) 18.346 ======================= Grid point 13 (12/156) ======================= q-point: ( 0.00 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -13.262 16.742 -17.120) 27.373 2.448 ( -17.857 22.596 -14.892) 32.423 3.558 ( -7.665 4.089 -31.736) 32.903 4.134 ( -0.101 8.077 18.905) 20.559 4.390 ( -12.637 -5.789 10.317) 17.310 4.839 ( -1.676 3.780 16.882) 17.381 5.103 ( 0.377 -2.472 -17.455) 17.633 5.762 ( -7.726 8.613 16.489) 20.143 5.981 ( -7.171 11.982 -2.222) 14.139 6.530 ( -2.800 -3.762 -13.029) 13.847 6.855 ( 8.162 4.049 2.997) 9.592 7.099 ( -0.890 -3.539 5.583) 6.670 7.304 ( -2.664 5.437 10.115) 11.789 7.433 ( -2.550 -9.870 -8.461) 13.248 8.185 ( 14.585 -2.386 -7.694) 16.662 8.523 ( 2.256 -8.362 11.630) 14.501 8.810 ( 1.241 9.331 5.457) 10.881 9.067 ( -9.793 4.694 5.401) 12.129 9.491 ( 2.266 -5.226 14.897) 15.949 10.112 ( 17.276 -5.109 2.162) 18.145 10.358 ( -0.690 0.246 -14.598) 14.616 10.755 ( 10.325 -7.490 -9.689) 16.018 10.989 ( -13.998 5.972 -8.915) 17.638 11.316 ( -1.430 -12.265 -3.017) 12.712 11.593 ( -0.605 0.645 5.168) 5.243 12.262 ( 4.351 -1.860 -6.655) 8.166 12.629 ( 3.998 0.065 7.043) 8.099 12.821 ( -13.765 -10.086 3.090) 17.342 13.511 ( 16.076 12.527 -2.527) 20.536 13.695 ( -3.867 5.413 3.807) 7.664 13.913 ( 13.659 -5.283 -2.637) 14.881 14.612 ( 5.439 -0.974 -1.131) 5.640 15.137 ( -9.461 -5.590 -8.040) 13.616 15.600 ( -9.307 -9.257 -9.563) 16.240 15.990 ( 4.550 8.335 -13.964) 16.887 18.131 ( 3.581 -1.184 24.082) 24.375 ======================= Grid point 15 (13/156) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 10.646 8.589 -0.000) 13.679 2.998 ( 26.237 11.777 -0.000) 28.759 3.233 ( 6.592 4.281 -0.000) 7.860 4.510 ( -2.892 8.023 0.000) 8.528 4.836 ( 8.626 1.573 -0.000) 8.768 4.944 ( 4.549 16.961 0.000) 17.560 5.476 ( -8.594 -13.123 -0.000) 15.687 5.782 ( -9.424 7.280 0.000) 11.909 6.277 ( 15.153 -5.091 -0.000) 15.986 6.476 ( -1.022 16.096 0.000) 16.128 6.719 ( 1.807 -21.196 -0.000) 21.273 7.147 ( -1.959 6.371 0.000) 6.666 7.180 ( -8.349 7.565 0.000) 11.267 7.408 ( -17.561 -14.682 0.000) 22.890 8.053 ( 10.368 7.462 -0.000) 12.774 8.578 ( -0.448 -6.101 -0.000) 6.117 9.085 ( -8.487 10.255 0.000) 13.311 9.287 ( -2.002 -3.528 -0.000) 4.056 9.629 ( 3.533 -5.412 -0.000) 6.463 9.634 ( -2.372 -8.505 -0.000) 8.829 9.933 ( -15.427 -3.598 0.000) 15.841 10.012 ( 4.621 -16.087 -0.000) 16.738 11.071 ( 10.533 -0.579 -0.000) 10.549 11.347 ( 7.778 16.073 0.000) 17.856 11.741 ( 1.170 6.944 0.000) 7.042 12.182 ( 1.740 -0.008 -0.000) 1.740 12.515 ( -0.813 -5.618 -0.000) 5.676 13.357 ( 10.290 0.692 -0.000) 10.313 13.562 ( 1.304 -1.250 -0.000) 1.806 13.790 ( -16.229 11.710 0.000) 20.013 14.304 ( 22.923 19.584 -0.000) 30.150 14.386 ( 3.563 -19.686 -0.000) 20.006 14.777 ( -22.496 -8.428 0.000) 24.023 15.252 ( -8.348 23.255 0.000) 24.708 15.741 ( 13.772 -12.341 -0.000) 18.493 18.197 ( -15.766 -18.126 -0.000) 24.024 ======================= Grid point 16 (14/156) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 6.811 4.239 12.818) 15.121 3.338 ( 1.425 -5.848 9.753) 11.461 3.875 ( 6.226 20.776 3.166) 21.918 4.309 ( -6.997 9.393 -4.791) 12.655 4.943 ( -12.689 -12.826 -0.530) 18.050 5.102 ( 8.018 -3.868 -0.395) 8.911 5.330 ( -5.072 5.360 -2.060) 7.662 5.613 ( 3.968 9.151 9.683) 13.902 6.331 ( -0.900 0.620 -9.804) 9.865 6.533 ( -3.264 -6.466 -11.144) 13.291 6.660 ( 5.415 -5.346 3.474) 8.365 6.779 ( 4.056 -3.122 -4.138) 6.582 7.050 ( -2.058 0.963 8.718) 9.010 7.532 ( 3.181 -6.414 10.290) 12.536 7.971 ( -1.427 4.649 -12.201) 13.135 8.449 ( -11.959 0.776 9.515) 15.302 8.844 ( 1.193 -1.397 -16.706) 16.807 8.982 ( -7.461 -11.080 -5.122) 14.306 9.321 ( -4.286 -3.286 2.987) 6.172 9.859 ( 3.563 -0.810 14.925) 15.366 9.944 ( 13.114 -19.121 -15.722) 28.013 10.636 ( 10.298 -10.564 11.926) 18.970 11.473 ( 7.064 4.048 -2.414) 8.492 11.658 ( -5.497 23.573 -7.432) 25.321 11.847 ( -2.687 13.936 -1.923) 14.322 11.913 ( 4.911 9.703 1.190) 10.940 12.478 ( 3.160 9.502 7.943) 12.781 13.148 ( -10.041 4.275 4.316) 11.736 13.281 ( -7.268 -1.145 -10.975) 13.213 13.574 ( -4.561 -3.215 -1.843) 5.876 14.039 ( -8.806 -14.793 12.881) 21.501 14.662 ( -8.975 12.493 3.496) 15.775 14.974 ( 9.302 -4.424 -8.980) 13.666 15.319 ( 21.872 10.083 0.802) 24.098 16.451 ( 16.020 -6.672 5.638) 18.247 17.381 ( -19.960 -23.907 -5.589) 31.641 ======================= Grid point 17 (15/156) ======================= q-point: ( 0.00 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -1.840 12.616 -3.946) 13.346 3.282 ( -15.760 1.719 1.529) 15.927 3.868 ( -1.059 -1.526 -8.784) 8.978 4.118 ( -2.124 22.838 9.688) 24.899 4.252 ( -21.080 -7.879 23.800) 32.755 5.070 ( 2.680 9.053 -18.973) 21.193 5.377 ( -2.895 -2.936 -11.275) 12.005 5.664 ( -1.884 4.197 19.214) 19.758 6.327 ( 6.086 -2.739 -3.476) 7.525 6.514 ( -1.977 -0.437 -11.564) 11.740 6.722 ( 7.449 -1.654 2.040) 7.899 7.016 ( -0.827 7.146 2.623) 7.657 7.201 ( 0.971 -0.590 4.263) 4.412 7.594 ( -3.161 -7.313 -2.228) 8.272 7.957 ( 4.322 -8.020 -5.484) 10.634 8.224 ( 3.198 0.558 1.649) 3.641 8.687 ( 10.622 5.050 4.285) 12.517 9.099 ( 1.289 -4.454 10.428) 11.412 9.224 ( -3.637 -1.598 1.206) 4.151 9.975 ( -3.457 6.138 1.896) 7.296 10.307 ( 16.348 -20.447 -14.574) 29.962 10.804 ( -1.350 1.463 -9.599) 9.803 11.160 ( -4.489 4.724 5.514) 8.536 11.454 ( -5.099 1.223 -8.989) 10.407 11.681 ( -4.531 7.352 3.278) 9.237 12.238 ( -3.978 -12.155 6.928) 14.545 12.526 ( -7.742 -2.859 -5.521) 9.929 12.869 ( -11.725 -0.798 7.730) 14.067 13.358 ( 22.681 14.677 2.087) 27.096 13.475 ( -2.457 1.122 7.220) 7.708 14.205 ( -11.632 16.246 1.706) 20.054 14.354 ( 15.616 -4.487 -0.059) 16.248 15.175 ( 6.217 -10.458 -11.294) 16.600 15.860 ( -8.826 -5.008 -6.425) 12.011 16.270 ( 0.898 -3.092 -12.748) 13.148 17.462 ( 11.539 -7.202 17.011) 21.781 ======================= Grid point 18 (16/156) ======================= q-point: ( 0.00 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -28.654 10.584 -10.614) 32.338 2.655 ( -4.968 15.685 -22.949) 28.238 3.789 ( 4.032 3.268 -5.288) 7.410 4.109 ( -5.434 4.338 5.673) 8.974 4.565 ( 11.992 24.967 13.282) 30.718 4.915 ( -0.610 1.045 -4.381) 4.546 5.120 ( 3.114 3.426 -7.836) 9.101 5.769 ( -7.075 7.754 15.910) 19.060 6.083 ( -9.297 10.954 4.047) 14.926 6.440 ( 0.483 -4.166 -11.993) 12.705 6.828 ( -3.514 -5.044 -3.174) 6.918 6.899 ( 0.569 -9.499 4.798) 10.658 7.354 ( 1.452 6.887 -7.619) 10.372 7.570 ( 7.932 -0.261 6.743) 10.414 8.401 ( 4.066 -3.377 11.099) 12.293 8.530 ( 14.123 3.523 -2.561) 14.779 8.783 ( -12.409 1.465 -5.890) 13.813 9.088 ( -5.300 10.099 8.971) 14.510 9.545 ( 7.669 -1.855 16.924) 18.673 10.311 ( 12.030 -5.605 -12.885) 18.498 10.507 ( -3.159 0.632 -8.483) 9.074 10.630 ( 3.075 -5.340 -1.841) 6.432 10.785 ( 1.477 -5.768 -3.447) 6.880 11.248 ( -5.770 4.611 -6.086) 9.571 11.383 ( -6.750 -6.785 1.500) 9.687 12.096 ( 4.421 -16.850 -0.785) 17.439 12.312 ( -7.094 -5.504 9.534) 13.097 12.862 ( 4.430 0.073 7.232) 8.481 13.303 ( -12.143 -12.626 -3.669) 17.898 13.770 ( -8.350 4.151 -1.096) 9.389 14.289 ( 2.319 -1.982 -6.103) 6.823 14.710 ( 4.948 1.982 -4.907) 7.245 14.905 ( 4.527 -0.384 -4.786) 6.599 15.366 ( 3.637 -4.086 -3.523) 6.507 16.303 ( 1.603 12.760 -13.967) 18.986 18.205 ( 4.355 -1.847 22.393) 22.888 ======================= Grid point 19 (17/156) ======================= q-point: ( 0.00 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 29.725 10.303 -10.936) 33.307 2.107 ( 6.000 18.646 -25.282) 31.982 3.519 ( -4.848 20.555 -14.674) 25.716 4.331 ( 4.447 -5.924 13.103) 15.052 4.780 ( 1.593 12.059 -5.026) 13.161 4.954 ( -11.289 7.840 3.943) 14.299 5.549 ( 8.844 18.920 23.523) 31.456 5.843 ( 0.681 2.665 -0.540) 2.803 5.992 ( 5.160 5.190 2.370) 7.693 6.361 ( -7.546 -6.923 -8.887) 13.559 6.527 ( 8.403 -8.920 -4.262) 12.974 7.135 ( 3.060 -5.346 2.299) 6.575 7.327 ( 6.579 17.891 -7.326) 20.421 7.815 ( -3.392 -9.958 -4.788) 11.558 7.976 ( -14.614 3.960 9.233) 17.734 8.632 ( 2.748 4.640 -0.433) 5.410 8.987 ( -1.176 -0.095 16.549) 16.591 9.377 ( 3.241 9.695 9.046) 13.650 9.588 ( -5.588 -10.906 -1.399) 12.334 10.010 ( -1.172 -6.316 -11.297) 12.996 10.098 ( -18.161 -9.774 -4.987) 21.219 10.453 ( 0.653 -1.770 -10.327) 10.498 11.046 ( 7.993 12.276 -0.203) 14.651 11.354 ( 13.469 -8.054 0.908) 15.720 11.614 ( -18.317 -5.319 -1.822) 19.161 11.804 ( 6.092 -11.340 -9.917) 16.249 12.497 ( 4.589 -11.747 5.279) 13.672 12.982 ( 7.203 -7.001 7.708) 12.662 13.135 ( 7.011 -3.673 -1.207) 8.006 13.531 ( 7.488 3.546 -6.822) 10.732 14.097 ( -6.057 10.438 12.711) 17.527 14.819 ( -8.765 7.806 -0.927) 11.774 15.184 ( 4.853 -1.242 1.039) 5.116 15.402 ( 3.225 -5.808 -5.758) 8.791 15.807 ( -8.016 9.102 -17.907) 21.629 18.552 ( -8.075 -7.748 15.631) 19.224 ======================= Grid point 20 (18/156) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 8.830 6.995 -0.000) 11.264 3.148 ( -6.120 -4.270 0.000) 7.463 3.763 ( 24.199 6.738 -0.000) 25.120 4.637 ( -2.282 10.343 0.000) 10.592 4.869 ( -3.618 -15.899 -0.000) 16.306 5.054 ( -4.222 -7.238 -0.000) 8.379 5.401 ( 3.291 18.736 0.000) 19.022 5.947 ( -1.976 19.333 0.000) 19.434 6.208 ( 0.778 -24.981 -0.000) 24.994 6.383 ( 8.958 -7.588 -0.000) 11.740 6.630 ( -3.890 4.534 0.000) 5.974 6.853 ( -18.266 0.330 0.000) 18.269 7.180 ( -5.207 7.914 0.000) 9.474 7.269 ( 2.016 -0.372 -0.000) 2.050 8.292 ( 0.121 3.755 0.000) 3.757 8.417 ( 0.378 -8.063 -0.000) 8.072 9.040 ( -4.668 -3.411 0.000) 5.782 9.044 ( -6.289 -8.142 -0.000) 10.288 9.510 ( -3.458 2.972 0.000) 4.560 9.527 ( -2.823 3.585 0.000) 4.563 9.831 ( 2.290 -3.480 -0.000) 4.166 9.837 ( 5.451 -11.084 -0.000) 12.352 11.595 ( 25.883 12.194 -0.000) 28.612 11.655 ( 1.558 7.154 0.000) 7.322 12.070 ( -3.048 -7.016 -0.000) 7.649 12.109 ( 12.157 13.109 0.000) 17.879 12.592 ( 6.589 6.031 -0.000) 8.932 13.227 ( -8.252 -9.950 -0.000) 12.926 13.529 ( -14.392 4.915 0.000) 15.208 13.804 ( -10.316 0.207 0.000) 10.318 14.080 ( 18.967 -27.236 -0.000) 33.189 14.134 ( -27.399 6.463 0.000) 28.151 15.219 ( 21.134 21.852 0.000) 30.400 15.498 ( -10.846 19.945 0.000) 22.704 15.806 ( 21.838 -13.211 -0.000) 25.523 17.402 ( -22.584 -21.985 0.000) 31.518 ======================= Grid point 21 (19/156) ======================= q-point: ( 0.00 -0.80 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 8.102 7.020 8.480) 13.669 3.075 ( -5.632 -11.108 15.153) 19.614 4.158 ( -16.822 -4.278 -1.720) 17.442 4.264 ( -9.800 2.502 4.047) 10.894 4.596 ( 0.868 18.863 -1.143) 18.917 5.126 ( 6.030 -8.407 6.838) 12.401 5.406 ( -1.510 7.302 -5.321) 9.161 5.876 ( -5.603 13.387 -6.739) 16.001 6.154 ( -0.200 -11.367 3.126) 11.791 6.534 ( 10.038 -0.077 -9.457) 13.791 6.636 ( -0.185 -10.216 -1.633) 10.347 6.876 ( 16.784 -1.674 -0.728) 16.883 7.203 ( 0.632 8.072 5.623) 9.858 7.453 ( 1.229 -5.081 3.548) 6.317 8.015 ( -4.935 5.484 -5.610) 9.269 8.290 ( -6.618 3.440 3.022) 8.047 8.722 ( -1.407 3.705 -5.156) 6.503 8.880 ( 3.403 -5.520 -8.070) 10.352 9.227 ( 1.136 -1.205 -5.967) 6.193 9.815 ( 15.962 -20.929 -14.654) 30.125 9.942 ( -1.818 4.522 17.577) 18.241 10.557 ( 8.081 -15.047 14.041) 22.111 11.607 ( -0.253 3.667 -4.662) 5.937 11.752 ( -14.756 5.112 -4.583) 16.275 11.843 ( -8.446 8.765 -9.994) 15.749 12.246 ( -11.845 5.215 7.311) 14.865 12.793 ( -19.240 -2.471 3.286) 19.674 12.904 ( 7.899 10.253 4.479) 13.696 13.242 ( 5.523 11.160 3.428) 12.915 13.449 ( -1.394 -0.838 3.799) 4.133 13.875 ( 14.959 -7.883 -1.596) 16.984 14.745 ( 6.138 -1.797 -3.552) 7.315 15.007 ( -4.962 5.919 -3.390) 8.435 15.889 ( 8.102 4.854 3.545) 10.088 16.363 ( -19.337 -22.711 -5.803) 30.387 16.815 ( 21.414 -1.631 3.396) 21.743 ======================= Grid point 22 (20/156) ======================= q-point: ( 0.00 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -27.897 -1.244 3.119) 28.098 3.228 ( 0.413 5.835 -4.157) 7.176 3.537 ( -10.648 -5.161 15.315) 19.354 4.114 ( 0.421 4.507 7.950) 9.148 4.660 ( 4.778 25.737 4.774) 26.608 5.205 ( 4.085 -7.183 -19.447) 21.130 5.500 ( 1.117 17.380 -9.153) 19.674 5.655 ( -2.794 0.681 15.262) 15.530 6.271 ( -7.567 -2.591 6.983) 10.617 6.422 ( 0.561 -7.869 -0.444) 7.902 6.726 ( 6.971 -7.849 -13.279) 16.927 7.001 ( -6.321 0.373 -11.860) 13.445 7.323 ( 1.458 9.206 7.654) 12.060 7.537 ( 9.952 -5.815 -8.815) 14.510 8.059 ( 9.856 3.703 -0.832) 10.562 8.408 ( 6.922 1.213 -1.700) 7.230 8.948 ( 9.765 -4.676 12.225) 16.331 9.143 ( -1.697 2.154 0.651) 2.819 9.189 ( 1.215 11.250 7.802) 13.744 10.065 ( 5.433 1.739 2.836) 6.370 10.244 ( 16.256 -18.746 -11.335) 27.279 10.776 ( -1.086 -2.950 -5.935) 6.716 11.019 ( -15.219 -1.654 6.881) 16.784 11.301 ( -10.161 4.633 -0.968) 11.209 11.648 ( -14.554 -6.501 -1.063) 15.975 11.864 ( 2.999 2.714 0.389) 4.063 12.229 ( -11.957 -3.130 9.554) 15.622 12.803 ( -5.535 3.978 0.287) 6.822 13.166 ( -4.093 -12.151 0.426) 12.829 14.110 ( 7.456 3.208 -7.562) 11.094 14.286 ( -2.767 17.606 5.087) 18.534 14.771 ( 16.437 4.412 -3.286) 17.333 14.902 ( -13.311 -14.722 -6.148) 20.778 15.277 ( -0.316 -12.449 -9.218) 15.493 16.550 ( 7.288 4.968 4.066) 9.712 17.653 ( 13.823 -0.234 6.839) 15.424 ======================= Grid point 24 (21/156) ======================= q-point: ( 0.00 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 20.549 9.637 -9.078) 24.445 2.586 ( 20.800 9.534 -20.003) 30.392 3.565 ( -7.878 1.154 -10.474) 13.157 4.391 ( 9.869 -4.485 10.923) 15.390 4.936 ( -5.321 7.206 -2.136) 9.209 5.069 ( -2.883 12.852 4.607) 13.953 5.793 ( -4.114 -4.134 -11.407) 12.812 5.920 ( -3.126 15.294 17.817) 23.689 5.953 ( 0.559 -7.202 -3.153) 7.882 6.187 ( 3.429 -16.842 -3.038) 17.454 6.637 ( 5.416 10.639 6.093) 13.403 7.263 ( 5.446 4.408 3.942) 8.039 7.565 ( -10.754 -6.489 9.266) 15.608 7.592 ( -13.712 6.214 -4.594) 15.739 7.959 ( 6.302 11.576 -1.942) 13.323 8.509 ( -5.977 -9.087 -4.211) 11.663 8.875 ( -4.362 -3.852 21.511) 22.284 9.309 ( -1.821 -8.742 1.206) 9.010 9.561 ( -1.795 -2.731 -1.227) 3.491 9.725 ( -10.540 8.833 0.459) 13.759 9.914 ( -0.075 -3.346 -15.720) 16.072 10.429 ( -10.442 2.014 -11.239) 15.473 10.866 ( -0.490 -3.919 -0.029) 3.949 11.470 ( 7.657 7.870 1.225) 11.049 11.640 ( 13.784 -2.452 0.910) 14.030 12.029 ( 15.169 -2.573 -10.239) 18.481 12.281 ( -1.479 -13.150 -0.018) 13.233 12.986 ( 10.806 -5.320 9.122) 15.109 13.200 ( 12.337 -9.956 -1.212) 15.900 14.020 ( 7.910 13.642 8.744) 18.031 14.255 ( 2.286 16.645 9.551) 19.326 14.706 ( -13.836 3.337 -6.590) 15.684 15.042 ( -15.466 0.885 9.073) 17.952 15.249 ( 6.034 -15.965 -5.116) 17.818 15.937 ( -3.517 13.067 -21.806) 25.664 18.100 ( -15.629 -12.838 9.839) 22.492 ======================= Grid point 25 (22/156) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -9.101 -8.409 0.000) 12.392 2.846 ( 9.101 8.409 -0.000) 12.392 4.332 ( -15.383 -12.147 0.000) 19.601 4.332 ( 15.383 12.147 -0.000) 19.601 4.841 ( -0.784 -10.796 -0.000) 10.824 4.841 ( 0.784 10.796 0.000) 10.824 5.782 ( 1.602 -18.344 -0.000) 18.414 5.782 ( -1.602 18.344 0.000) 18.414 6.348 ( 3.883 -15.032 -0.000) 15.525 6.348 ( -3.883 15.032 0.000) 15.525 6.600 ( -5.490 1.027 0.000) 5.586 6.600 ( 5.490 -1.027 -0.000) 5.586 7.251 ( 1.838 -4.905 -0.000) 5.238 7.251 ( -1.838 4.905 0.000) 5.238 8.321 ( 2.660 -4.308 -0.000) 5.063 8.321 ( -2.660 4.308 0.000) 5.063 8.897 ( 1.816 -3.664 -0.000) 4.089 8.897 ( -1.816 3.664 0.000) 4.089 9.546 ( -1.596 0.519 0.000) 1.678 9.546 ( 1.596 -0.519 -0.000) 1.678 9.795 ( -1.687 0.552 0.000) 1.776 9.795 ( 1.687 -0.552 -0.000) 1.776 11.834 ( -1.176 -8.716 -0.000) 8.795 11.834 ( 1.176 8.716 0.000) 8.795 12.342 ( -11.892 -7.268 0.000) 13.937 12.342 ( 11.892 7.268 -0.000) 13.937 12.871 ( -0.691 -10.173 -0.000) 10.196 12.871 ( 0.691 10.173 0.000) 10.196 13.343 ( -7.383 -1.785 0.000) 7.595 13.343 ( 7.383 1.785 -0.000) 7.595 14.057 ( 19.804 -18.979 -0.000) 27.430 14.057 ( -19.804 18.979 0.000) 27.430 15.598 ( 12.275 -12.070 -0.000) 17.215 15.598 ( -12.275 12.070 0.000) 17.215 16.449 ( -28.631 -19.359 0.000) 34.562 16.449 ( 28.631 19.359 -0.000) 34.562 ======================= Grid point 27 (23/156) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -5.662 -9.688 17.031) 20.395 3.280 ( -4.634 2.398 6.154) 8.068 3.433 ( -18.620 -5.157 9.838) 21.681 4.418 ( -6.438 11.450 -7.986) 15.373 4.908 ( 4.209 4.173 -0.888) 5.993 5.115 ( 8.252 -6.128 6.563) 12.195 5.555 ( -2.341 14.560 -5.583) 15.768 5.893 ( -1.296 -4.623 1.864) 5.150 6.023 ( -1.804 2.692 3.364) 4.671 6.301 ( -3.542 -15.757 -2.427) 16.332 6.765 ( 8.380 -2.289 -12.846) 15.508 7.214 ( 16.357 0.088 -6.263) 17.515 7.353 ( 5.682 4.280 4.101) 8.211 7.410 ( 2.169 -4.709 -4.418) 6.811 8.081 ( -1.979 7.670 0.647) 7.947 8.307 ( -1.589 5.325 7.698) 9.495 8.770 ( 3.470 -3.132 -19.705) 20.252 9.052 ( 6.398 11.854 6.813) 15.096 9.304 ( 3.324 4.584 -6.862) 8.897 9.753 ( 16.205 -17.195 -10.461) 25.840 9.953 ( -4.752 2.527 16.281) 17.147 10.390 ( 6.753 -14.016 14.449) 21.232 11.239 ( -22.218 -8.327 -1.578) 23.779 11.674 ( -5.618 0.913 -1.304) 5.839 11.835 ( -5.733 1.648 -7.006) 9.201 12.032 ( -8.478 9.260 5.159) 13.573 12.357 ( -19.643 0.739 6.992) 20.863 13.122 ( -4.190 2.375 0.799) 4.882 13.226 ( -14.252 12.036 -3.988) 19.076 13.907 ( 21.282 -0.684 -7.881) 22.705 14.254 ( 24.971 5.206 7.034) 26.460 14.784 ( 12.694 -15.501 -7.446) 21.374 15.051 ( -20.121 19.973 3.093) 28.519 15.255 ( -16.207 -25.539 -8.627) 31.454 16.088 ( 4.940 -8.986 16.363) 19.310 17.444 ( 22.511 12.783 -5.654) 26.498 ======================= Grid point 28 (24/156) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -22.389 -6.165 6.112) 24.013 3.113 ( -3.562 -6.841 21.622) 22.956 3.545 ( -1.452 8.278 -13.935) 16.273 4.225 ( 2.966 2.355 14.414) 14.903 5.032 ( 3.489 -6.553 -14.992) 16.729 5.240 ( -2.476 11.763 7.128) 13.975 5.620 ( 0.420 1.739 4.794) 5.117 5.765 ( 0.429 0.879 -9.864) 9.912 6.101 ( -3.306 3.814 7.055) 8.675 6.289 ( 3.084 -8.048 0.780) 8.654 6.633 ( 2.211 -9.968 -9.783) 14.141 6.892 ( -7.989 3.826 -9.291) 12.837 7.536 ( 2.646 2.146 1.151) 3.596 7.838 ( 18.502 9.311 -8.952) 22.564 8.177 ( -4.562 -6.959 8.101) 11.613 8.482 ( 9.717 -4.599 -7.420) 13.063 8.929 ( -1.210 -6.935 0.049) 7.040 9.187 ( -0.253 8.821 9.396) 12.891 9.444 ( -0.252 7.047 -0.308) 7.058 10.105 ( 5.092 -17.130 -3.835) 18.277 10.298 ( 10.859 1.187 8.416) 13.789 10.724 ( 1.095 -2.928 4.536) 5.509 10.775 ( -7.091 10.591 -2.895) 13.070 11.235 ( -8.273 -0.296 -1.253) 8.372 11.401 ( 4.039 3.264 1.319) 5.358 11.992 ( -5.954 1.799 6.786) 9.205 12.092 ( -2.587 8.535 5.145) 10.296 12.531 ( -16.462 -4.067 -3.137) 17.245 13.059 ( 8.097 -4.466 -6.073) 11.063 13.693 ( -24.476 -5.368 -3.301) 25.274 14.506 ( 8.856 -14.470 -9.563) 19.474 14.642 ( -5.663 11.553 1.351) 12.937 15.097 ( 7.089 1.378 -6.503) 9.718 15.311 ( 7.858 1.563 4.903) 9.393 16.652 ( 3.334 -4.635 15.117) 16.159 17.950 ( 8.835 5.357 -6.951) 12.452 ======================= Grid point 51 (25/156) ======================= q-point: ( 0.05 -0.05 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -20.748 -12.655 0.000) 24.303 0.624 ( -30.597 -0.034 0.000) 30.597 1.358 ( -65.620 4.032 0.000) 65.743 4.401 ( 2.278 0.807 -0.000) 2.416 4.612 ( -8.510 3.641 0.000) 9.256 5.264 ( 19.827 -1.071 -0.000) 19.856 5.449 ( -1.147 -0.844 0.000) 1.424 5.636 ( -8.252 -1.539 0.000) 8.394 5.684 ( -1.441 2.329 0.000) 2.739 6.018 ( -16.095 -0.867 0.000) 16.119 6.679 ( -4.818 0.269 0.000) 4.825 7.087 ( 14.104 -5.049 -0.000) 14.980 7.417 ( 11.018 10.529 -0.000) 15.240 7.739 ( -14.592 -7.848 0.000) 16.568 8.121 ( -12.401 1.400 0.000) 12.480 8.411 ( 14.922 -10.088 -0.000) 18.012 8.909 ( -5.946 16.729 0.000) 17.754 9.426 ( -7.549 -9.516 -0.000) 12.146 9.780 ( 6.971 3.586 -0.000) 7.839 9.861 ( -1.237 -2.998 -0.000) 3.243 10.395 ( 3.154 1.923 -0.000) 3.694 10.688 ( 0.553 0.691 0.000) 0.885 11.237 ( 11.674 -1.469 -0.000) 11.766 11.392 ( -0.609 5.237 0.000) 5.273 11.524 ( 17.751 -0.509 -0.000) 17.758 12.511 ( -10.975 7.233 0.000) 13.144 12.654 ( -22.739 -6.099 0.000) 23.543 12.902 ( 9.738 -15.824 -0.000) 18.580 12.939 ( 11.829 10.352 -0.000) 15.719 13.862 ( 13.255 -10.237 -0.000) 16.748 14.224 ( 4.027 0.276 -0.000) 4.036 14.454 ( -10.205 0.526 0.000) 10.218 14.551 ( -10.304 11.171 0.000) 15.197 15.577 ( 5.407 2.083 -0.000) 5.795 15.665 ( -3.077 -2.281 0.000) 3.831 19.122 ( 3.533 -1.091 -0.000) 3.698 ======================= Grid point 52 (26/156) ======================= q-point: ( 0.05 0.15 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 9.917 2.001 26.915) 28.753 1.121 ( 27.794 1.943 26.975) 38.781 1.860 ( 40.254 -2.036 49.411) 63.765 4.459 ( 1.574 -5.404 -2.864) 6.315 4.500 ( 3.862 4.768 -13.936) 15.227 4.700 ( 11.068 -1.630 -9.975) 14.988 5.367 ( -14.021 2.637 -4.954) 15.103 5.554 ( 6.781 -0.486 -2.413) 7.214 5.663 ( 7.337 -1.051 -7.915) 10.844 6.139 ( 10.069 -0.075 3.326) 10.604 6.798 ( 2.440 -0.349 11.582) 11.841 7.106 ( -12.048 3.131 1.229) 12.509 7.482 ( -1.789 -8.095 -7.445) 11.142 7.630 ( 12.757 5.362 -9.644) 16.868 8.388 ( -7.880 -0.826 1.027) 7.989 8.630 ( -9.509 10.389 13.385) 19.429 8.813 ( 2.453 -10.553 -5.681) 12.233 9.115 ( -6.203 1.329 -12.837) 14.319 10.025 ( 2.093 -0.793 13.374) 13.560 10.085 ( -1.092 5.077 1.025) 5.293 10.254 ( 4.888 -3.764 -4.998) 7.939 10.937 ( -20.417 -1.020 10.875) 23.155 11.172 ( -10.524 11.366 -7.187) 17.076 11.308 ( -1.756 -12.524 -3.334) 13.079 11.614 ( -11.591 0.094 5.527) 12.842 12.484 ( 2.317 -5.837 0.322) 6.288 12.622 ( 10.319 5.776 6.225) 13.364 13.031 ( -7.448 -4.464 8.831) 12.385 13.456 ( -32.544 7.551 30.163) 45.010 13.645 ( -8.682 2.256 -14.604) 17.139 14.392 ( -7.934 10.497 10.203) 16.650 14.507 ( 8.076 -2.153 5.372) 9.935 14.692 ( 8.615 -13.103 13.258) 20.535 15.577 ( -4.530 -2.641 -0.163) 5.247 15.681 ( 4.615 3.079 2.217) 5.975 18.372 ( 35.986 0.793 -44.813) 57.479 ======================= Grid point 53 (27/156) ======================= q-point: ( 0.05 0.35 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 9.398 4.354 16.948) 19.863 2.592 ( 18.131 1.072 24.835) 30.768 3.833 ( -4.509 -0.867 -7.188) 8.529 4.066 ( 13.603 0.415 5.783) 14.787 4.806 ( 19.031 -5.969 -10.109) 22.360 4.898 ( 9.564 -2.799 -3.779) 10.658 5.169 ( 4.602 -1.035 10.314) 11.341 5.675 ( 8.064 1.272 -18.026) 19.788 5.940 ( 7.431 3.579 -0.560) 8.267 6.438 ( -5.962 -0.125 4.612) 7.539 6.758 ( 1.034 2.744 10.254) 10.665 6.932 ( -10.981 -1.565 -7.937) 13.640 7.407 ( 12.518 -3.592 7.999) 15.284 7.719 ( -6.866 -5.950 -3.463) 9.723 8.393 ( 0.755 15.433 -1.384) 15.513 8.462 ( 1.593 1.144 -1.744) 2.624 8.772 ( 4.245 -0.920 -7.893) 9.009 9.064 ( 10.324 -5.772 -7.700) 14.113 9.636 ( -2.303 -0.413 -13.337) 13.541 10.199 ( -8.360 16.378 2.518) 18.560 10.493 ( -7.051 -5.376 18.579) 20.586 10.792 ( 2.188 -0.407 -1.618) 2.751 10.917 ( 4.184 -1.521 4.020) 5.998 11.077 ( -12.799 -7.466 9.937) 17.841 11.483 ( 5.404 -11.587 -2.391) 13.007 12.191 ( -23.173 0.277 3.238) 23.400 12.261 ( -5.239 -2.066 -9.100) 10.701 12.867 ( -18.011 8.724 -4.917) 20.608 13.054 ( 4.593 1.644 3.810) 6.190 13.681 ( -3.827 1.844 7.301) 8.447 14.105 ( -0.763 12.075 -0.544) 12.112 14.911 ( 6.198 1.147 1.235) 6.423 15.028 ( -4.977 -14.282 5.160) 15.980 15.442 ( -0.916 -3.494 2.248) 4.254 16.286 ( 13.497 2.726 17.175) 22.013 18.232 ( 0.124 1.523 -23.287) 23.337 ======================= Grid point 54 (28/156) ======================= q-point: ( 0.05 -0.45 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -4.842 -3.684 -0.449) 6.100 3.064 ( -6.068 1.224 -21.962) 22.817 3.546 ( 6.442 -1.763 17.348) 18.589 4.275 ( 2.223 -1.079 -17.490) 17.664 5.041 ( -7.406 2.988 16.833) 18.632 5.201 ( 3.424 -0.014 -11.531) 12.029 5.597 ( 10.264 3.051 -5.507) 12.041 5.794 ( 0.022 -3.370 9.683) 10.253 6.113 ( 1.340 -3.951 -0.176) 4.176 6.307 ( -5.322 2.196 0.796) 5.812 6.687 ( -7.863 -2.642 2.499) 8.664 6.714 ( 3.248 8.510 2.705) 9.502 7.575 ( -0.447 -1.235 1.041) 1.677 7.980 ( -11.351 10.065 -6.340) 16.443 8.201 ( 13.067 -12.564 11.814) 21.637 8.703 ( -3.694 -7.588 0.062) 8.439 8.724 ( 3.575 13.958 -2.447) 14.615 9.218 ( 4.153 -4.015 -8.329) 10.136 9.459 ( 4.447 0.783 2.963) 5.401 10.150 ( -4.606 0.127 4.347) 6.335 10.434 ( -1.832 -0.094 -8.184) 8.387 10.627 ( -3.774 0.013 2.517) 4.536 10.845 ( -0.140 -8.901 -4.022) 9.768 11.028 ( -0.614 8.462 6.118) 10.460 11.694 ( 4.308 -6.833 -1.019) 8.142 11.841 ( -7.213 4.379 -14.353) 16.649 12.104 ( 8.450 -7.991 10.562) 15.711 12.298 ( -1.328 3.106 1.173) 3.576 13.181 ( -0.763 8.237 1.112) 8.346 13.369 ( -2.753 -4.576 2.520) 5.905 14.501 ( 15.277 7.657 -5.478) 17.945 14.643 ( -15.568 -3.845 8.822) 18.303 15.135 ( -0.356 2.874 -0.190) 2.902 15.426 ( -0.949 -2.820 0.620) 3.040 16.709 ( -4.956 -2.297 -11.459) 12.694 18.039 ( 6.671 0.232 6.934) 9.625 ======================= Grid point 55 (29/156) ======================= q-point: ( 0.05 -0.25 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -15.980 -9.499 -11.109) 21.656 2.059 ( -20.392 -1.211 -25.831) 32.932 3.558 ( -23.187 1.371 -15.787) 28.085 4.280 ( 7.107 0.681 13.087) 14.908 4.737 ( -5.175 1.548 -9.912) 11.288 5.105 ( -17.465 6.857 9.495) 21.029 5.296 ( -10.946 5.496 19.753) 23.242 5.894 ( -6.842 -1.548 2.137) 7.334 5.945 ( -6.880 -6.010 0.178) 9.137 6.365 ( 7.790 6.640 -3.418) 10.792 6.573 ( 8.365 -10.821 -7.052) 15.388 7.057 ( 6.256 4.646 2.800) 8.280 7.219 ( -14.999 3.824 -7.213) 17.077 7.837 ( 10.041 0.961 2.166) 10.317 8.271 ( -2.564 -13.357 -3.885) 14.145 8.585 ( -9.838 0.614 5.142) 11.118 8.960 ( -4.853 6.208 9.541) 12.374 9.241 ( -0.932 6.320 9.002) 11.038 9.729 ( 8.054 -5.262 -2.575) 9.960 10.079 ( 1.309 -5.496 -12.022) 13.283 10.255 ( 3.718 2.404 -2.408) 5.040 10.676 ( 13.753 -18.127 -8.866) 24.420 10.865 ( -8.719 5.105 -0.132) 10.104 11.004 ( 4.603 17.042 0.339) 17.656 11.481 ( -2.762 9.470 -2.207) 10.109 12.164 ( 19.371 -7.147 0.570) 20.655 12.392 ( 11.001 -0.103 3.472) 11.537 12.951 ( 0.588 -5.287 0.521) 5.345 13.057 ( 8.612 -2.355 6.293) 10.923 13.519 ( 0.911 -5.394 -8.567) 10.165 14.171 ( -8.630 -1.628 5.454) 10.337 14.901 ( -9.017 5.389 -0.647) 10.524 14.971 ( 3.008 9.863 0.870) 10.348 15.344 ( 1.736 3.565 -8.434) 9.320 15.966 ( -9.133 -6.843 -12.445) 16.885 18.657 ( 6.460 -1.792 17.191) 18.452 ======================= Grid point 57 (30/156) ======================= q-point: ( 0.05 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 16.048 28.103 11.888) 34.477 1.799 ( 20.375 17.078 23.115) 35.229 2.778 ( 40.447 1.777 25.051) 47.609 4.369 ( -0.964 -1.243 -0.592) 1.681 4.515 ( 5.185 -5.700 -9.507) 12.237 4.843 ( -5.935 2.860 -0.557) 6.612 5.241 ( 2.940 0.328 -19.719) 19.940 5.832 ( 9.781 8.830 -4.648) 13.973 5.888 ( 10.113 5.503 -3.749) 12.108 6.296 ( 1.156 -1.616 5.893) 6.219 6.886 ( 0.474 4.958 2.861) 5.744 7.009 ( 2.626 -0.883 6.914) 7.448 7.183 ( -14.144 -0.350 4.022) 14.709 7.814 ( 2.164 -7.329 -16.229) 17.938 8.295 ( 6.240 -7.875 7.203) 12.363 8.559 ( -1.351 5.429 11.510) 12.798 8.851 ( -3.056 5.324 -11.238) 12.806 9.150 ( 3.121 0.702 -15.461) 15.789 9.795 ( -4.256 -9.286 5.630) 11.664 10.167 ( -1.773 -7.032 3.936) 8.251 10.319 ( -3.168 9.025 14.294) 17.199 10.593 ( 0.281 -8.727 -1.117) 8.802 10.853 ( -7.517 -9.568 5.227) 13.243 11.254 ( -5.921 6.220 -5.298) 10.090 11.530 ( -8.584 10.154 1.867) 13.427 12.343 ( -8.202 -12.530 1.580) 15.059 12.597 ( -6.005 5.910 -5.089) 9.843 12.884 ( 0.783 -1.986 0.710) 2.249 13.432 ( 13.647 3.891 11.685) 18.382 13.649 ( -8.573 10.153 -11.789) 17.764 14.236 ( -4.551 -14.782 9.296) 18.046 14.584 ( -0.241 8.693 4.565) 9.821 14.744 ( 8.118 -2.773 4.130) 9.521 15.407 ( -9.459 -1.728 4.578) 10.650 15.851 ( 8.924 -0.530 6.541) 11.077 18.689 ( 0.242 -3.350 -23.662) 23.899 ======================= Grid point 58 (31/156) ======================= q-point: ( 0.05 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 8.069 29.334 2.530) 30.528 2.904 ( 9.591 1.114 22.699) 24.667 3.723 ( -5.317 3.317 -15.625) 16.835 4.234 ( 4.520 -1.820 9.462) 10.643 4.908 ( 0.139 -0.899 2.977) 3.112 5.026 ( 15.197 -8.210 -10.303) 20.113 5.348 ( 18.652 -7.147 7.567) 21.360 5.880 ( 3.007 6.227 -13.364) 15.047 6.173 ( -4.090 7.872 1.005) 8.928 6.351 ( -1.561 0.068 5.013) 5.251 6.704 ( -6.631 -0.755 6.956) 9.640 6.742 ( -6.383 0.708 -2.424) 6.864 7.530 ( 9.120 -7.862 6.721) 13.790 7.546 ( 0.957 -1.260 -7.736) 7.897 8.384 ( -1.598 -15.885 -7.432) 17.610 8.555 ( -0.644 -6.813 -5.222) 8.608 8.803 ( 0.479 10.281 13.253) 16.780 9.280 ( 7.444 6.562 -5.951) 11.571 9.486 ( -4.350 -7.859 -9.017) 12.728 10.249 ( -0.864 -8.700 4.845) 9.995 10.335 ( -9.561 -4.188 8.840) 13.678 10.611 ( 0.283 2.714 -0.598) 2.793 10.776 ( 3.250 1.140 -0.041) 3.445 11.228 ( -3.925 16.864 6.516) 18.500 11.391 ( 4.273 -6.153 -4.570) 8.775 11.899 ( -2.633 -2.129 2.449) 4.178 12.213 ( -2.617 6.208 -6.384) 9.282 12.791 ( -8.623 12.263 -12.394) 19.451 13.076 ( -7.838 -2.034 6.119) 10.149 13.739 ( -6.128 19.930 3.213) 21.097 14.405 ( 12.112 1.325 -0.160) 12.185 14.636 ( -10.397 -6.608 5.605) 13.534 14.927 ( 3.626 -9.078 3.700) 10.452 15.341 ( 1.318 -7.401 0.142) 7.518 16.553 ( 11.511 -1.289 12.537) 17.069 18.106 ( -7.342 -7.226 -15.889) 18.936 ======================= Grid point 59 (32/156) ======================= q-point: ( 0.05 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -8.128 23.028 -12.275) 27.332 2.927 ( -12.020 3.305 -23.373) 26.489 3.715 ( 8.213 2.678 13.535) 16.057 4.222 ( -3.700 -2.576 -10.261) 11.207 4.873 ( -7.437 -4.710 7.105) 11.312 5.274 ( -6.818 4.337 -9.585) 12.536 5.549 ( -20.703 -1.608 12.368) 24.170 5.735 ( 5.848 0.126 13.676) 14.874 6.077 ( -5.975 4.790 -1.614) 7.826 6.247 ( 4.649 -2.584 -5.276) 7.492 6.614 ( 8.266 -1.524 -2.795) 8.858 6.940 ( -0.734 4.659 5.147) 6.981 7.589 ( 6.078 -1.299 0.518) 6.237 7.881 ( -17.458 7.125 -8.438) 20.658 8.002 ( 1.012 -19.949 4.956) 20.580 8.467 ( 3.579 -1.980 9.364) 10.218 8.789 ( -6.182 -6.609 5.351) 10.513 9.351 ( 3.438 3.695 -2.085) 5.461 9.506 ( 0.666 -2.434 7.835) 8.231 9.860 ( -4.524 -6.727 -1.934) 8.334 10.364 ( 5.099 -5.961 -14.186) 16.210 10.662 ( -2.533 -2.078 -7.784) 8.445 11.098 ( 17.498 5.187 -1.458) 18.309 11.213 ( -2.536 10.517 0.508) 10.831 11.479 ( 5.459 -11.544 0.507) 12.780 11.981 ( -2.238 14.728 -12.703) 19.577 12.253 ( 6.481 4.282 1.865) 7.989 12.578 ( 9.095 10.930 7.761) 16.199 13.058 ( 4.034 -1.376 4.050) 5.879 13.634 ( 0.372 14.108 -1.967) 14.249 14.147 ( -18.662 -9.858 11.922) 24.240 14.855 ( 4.426 -1.079 0.676) 4.605 15.104 ( 2.963 -1.684 0.263) 3.418 15.399 ( 5.837 -3.080 -6.156) 9.025 16.482 ( -11.766 -3.751 -20.341) 23.797 18.069 ( 5.826 -8.561 16.179) 19.209 ======================= Grid point 60 (33/156) ======================= q-point: ( 0.05 -0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -7.734 34.869 -13.568) 38.207 1.700 ( -21.471 10.665 -26.588) 35.800 2.868 ( -40.941 2.773 -22.888) 46.987 4.430 ( 3.318 0.848 10.732) 11.265 4.534 ( -11.069 -5.742 2.301) 12.680 4.926 ( 3.734 -4.816 -5.922) 8.497 5.241 ( -10.617 8.184 27.751) 30.819 5.771 ( -4.801 6.436 1.012) 8.093 5.872 ( -6.737 5.322 6.003) 10.476 6.353 ( -6.069 -2.480 -8.743) 10.928 6.755 ( 13.838 4.252 -1.116) 14.519 6.997 ( -12.164 3.084 -8.531) 15.174 7.371 ( 12.277 -0.830 -0.733) 12.327 7.812 ( -9.581 -10.622 11.156) 18.140 8.049 ( 10.533 -2.189 -7.038) 12.856 8.555 ( -1.271 4.743 -9.688) 10.862 8.996 ( 0.387 4.013 18.489) 18.923 9.172 ( -9.612 0.026 12.710) 15.936 9.780 ( 6.589 -7.533 -2.313) 10.272 10.062 ( 3.531 -1.077 -16.989) 17.385 10.363 ( 9.603 -6.865 2.863) 12.147 10.540 ( 6.467 -7.123 -7.809) 12.391 10.847 ( -3.782 2.749 -1.899) 5.046 11.486 ( 3.785 8.259 1.860) 9.274 11.595 ( -2.143 1.734 -0.087) 2.759 12.168 ( 18.776 -14.561 -8.386) 25.197 12.746 ( 12.189 1.312 5.703) 13.521 12.899 ( -9.679 3.689 -3.305) 10.872 13.184 ( -4.501 7.460 -2.571) 9.084 13.563 ( 9.670 7.680 -2.225) 12.548 14.071 ( 6.309 -6.684 2.840) 9.620 14.658 ( -7.260 -4.713 -2.368) 8.974 15.056 ( -12.815 1.509 -7.206) 14.779 15.537 ( 5.453 2.481 -4.057) 7.236 15.684 ( -2.650 -4.161 -8.140) 9.518 18.651 ( 1.368 -3.131 23.259) 23.508 ======================= Grid point 61 (34/156) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 42.414 8.046 -0.000) 43.170 1.347 ( 11.991 24.133 0.000) 26.948 2.647 ( 3.045 47.767 0.000) 47.864 4.410 ( 1.225 3.324 0.000) 3.542 4.726 ( -11.145 15.688 0.000) 19.244 4.837 ( -2.606 -14.271 -0.000) 14.507 5.749 ( -1.205 2.922 0.000) 3.161 5.760 ( 14.880 5.801 -0.000) 15.971 5.829 ( 8.610 7.750 -0.000) 11.584 6.239 ( -6.815 2.899 0.000) 7.406 6.705 ( 3.280 -10.556 -0.000) 11.054 6.909 ( 4.315 13.633 0.000) 14.299 7.253 ( -1.458 -11.413 -0.000) 11.505 7.984 ( -2.641 10.028 0.000) 10.370 8.007 ( -3.307 -12.195 -0.000) 12.635 8.404 ( 4.288 9.108 0.000) 10.067 9.274 ( 14.098 -3.222 -0.000) 14.461 9.366 ( -9.910 10.694 0.000) 14.579 9.639 ( -9.709 -3.063 0.000) 10.181 9.796 ( 1.401 -5.347 -0.000) 5.528 10.407 ( 2.718 -2.675 -0.000) 3.814 10.505 ( -18.526 -18.566 -0.000) 26.229 10.818 ( 3.651 6.835 0.000) 7.749 11.511 ( 14.158 -7.892 -0.000) 16.209 11.584 ( -1.533 4.505 0.000) 4.758 12.075 ( -16.960 -22.429 -0.000) 28.119 12.814 ( 1.174 -11.155 -0.000) 11.217 12.858 ( 3.184 14.125 0.000) 14.479 13.166 ( 12.233 16.344 0.000) 20.414 13.526 ( 6.329 -19.044 -0.000) 20.069 14.130 ( -4.345 0.406 0.000) 4.364 14.622 ( -4.791 7.405 0.000) 8.820 14.967 ( 3.407 16.474 0.000) 16.823 15.490 ( -0.345 -6.795 -0.000) 6.804 15.610 ( -4.073 -1.400 0.000) 4.306 18.914 ( -7.118 -8.574 -0.000) 11.144 ======================= Grid point 62 (35/156) ======================= q-point: ( 0.05 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 16.112 10.135 18.638) 26.640 2.618 ( 12.782 29.327 6.496) 32.644 3.373 ( 21.272 -3.576 14.430) 25.952 4.361 ( -3.731 5.485 -2.224) 6.997 4.638 ( 12.403 -2.157 -8.557) 15.222 4.840 ( 3.164 5.888 6.961) 9.651 5.311 ( -1.509 3.072 -22.474) 22.733 5.983 ( -5.135 -9.761 9.282) 14.415 6.198 ( 2.484 7.895 -0.437) 8.288 6.307 ( 12.520 4.367 -0.727) 13.280 6.884 ( -5.883 -1.345 -2.718) 6.619 7.000 ( -11.315 5.998 -0.044) 12.807 7.167 ( 4.804 2.348 6.798) 8.649 7.718 ( 3.419 -4.819 -9.311) 11.028 8.024 ( -3.441 -20.725 1.572) 21.067 8.560 ( -3.798 -0.908 -7.118) 8.118 8.900 ( -0.812 9.443 2.219) 9.734 9.275 ( 3.530 0.981 -1.880) 4.117 9.599 ( -3.032 -6.719 -6.437) 9.787 9.924 ( 0.225 -13.279 0.953) 13.315 10.183 ( -15.721 -7.504 14.579) 22.716 10.390 ( 7.599 -7.876 2.211) 11.165 10.974 ( 4.536 12.531 1.971) 13.472 11.183 ( 3.559 -1.640 1.705) 4.273 11.601 ( -4.893 10.318 1.055) 11.469 12.124 ( -6.456 6.831 0.374) 9.406 12.555 ( -10.056 0.423 -1.381) 10.159 13.001 ( 6.108 9.957 -9.312) 14.939 13.573 ( -9.523 7.390 -6.564) 13.726 13.843 ( -0.551 -15.723 3.694) 16.160 14.012 ( 22.162 7.710 -0.191) 23.465 14.689 ( 4.423 -10.520 -4.806) 12.383 14.807 ( -8.939 13.344 7.877) 17.889 15.121 ( -12.326 -2.039 11.633) 17.071 16.000 ( 12.469 -6.064 7.877) 15.947 18.400 ( -10.443 -13.480 -13.142) 21.529 ======================= Grid point 63 (36/156) ======================= q-point: ( 0.05 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -4.213 19.437 -1.064) 19.916 3.195 ( 12.974 12.789 10.026) 20.794 3.739 ( -4.251 7.510 -8.806) 12.329 4.174 ( -5.602 -2.637 8.495) 10.513 4.904 ( 2.194 -1.626 -7.532) 8.012 5.252 ( 17.258 -2.306 2.274) 17.559 5.394 ( -6.000 -4.652 10.465) 12.929 5.832 ( -14.003 -6.320 -1.845) 15.473 6.160 ( 5.248 4.302 6.899) 9.677 6.409 ( -4.649 -2.431 -8.543) 10.025 6.494 ( -1.589 8.093 -8.017) 11.502 6.839 ( 4.495 2.023 7.660) 9.109 7.355 ( -1.254 -15.497 1.779) 15.649 7.633 ( 5.474 -0.423 -7.576) 9.356 8.007 ( 5.118 -11.269 10.453) 16.201 8.473 ( -11.443 0.742 -9.824) 15.100 8.793 ( -5.484 -4.253 7.707) 10.371 9.141 ( -1.873 -12.637 -4.423) 13.519 9.474 ( -4.171 1.702 6.928) 8.264 10.027 ( 2.244 -5.960 -5.098) 8.158 10.106 ( 8.484 -15.913 -3.998) 18.471 10.760 ( 4.477 0.449 -2.534) 5.164 11.061 ( -1.614 18.372 -4.254) 18.927 11.433 ( -3.092 11.361 4.526) 12.614 11.527 ( 5.354 9.917 -5.289) 12.449 11.909 ( 7.641 -2.364 7.028) 10.647 12.405 ( 5.957 7.914 -0.597) 9.923 12.882 ( -13.000 11.625 -7.337) 18.921 13.011 ( 3.453 9.267 -2.708) 10.254 13.841 ( -8.395 -6.244 7.882) 13.099 14.320 ( -19.083 16.559 8.789) 26.751 14.648 ( -3.075 -9.316 9.136) 13.406 14.852 ( 16.879 -3.257 -7.367) 18.703 15.272 ( 11.458 -7.034 -5.788) 14.638 16.690 ( 7.150 -4.700 3.313) 9.176 17.670 ( -9.826 -17.065 -4.921) 20.298 ======================= Grid point 64 (37/156) ======================= q-point: ( 0.05 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -6.331 25.581 -12.668) 29.240 2.810 ( -14.878 15.656 -19.981) 29.423 3.720 ( -5.689 -7.026 -15.804) 18.207 4.181 ( -3.682 8.829 18.859) 21.146 4.614 ( -8.653 -2.818 -5.321) 10.542 5.022 ( -17.293 -4.385 27.276) 32.592 5.145 ( -5.230 -1.342 -14.354) 15.336 5.880 ( -3.154 7.878 12.285) 14.931 6.091 ( -3.433 7.941 -5.517) 10.261 6.423 ( 11.826 -4.498 -6.657) 14.297 6.752 ( 5.095 0.075 -6.300) 8.102 7.017 ( 2.043 7.361 14.721) 16.585 7.462 ( -2.511 -15.583 5.894) 16.848 7.599 ( -17.763 2.995 -5.221) 18.755 7.890 ( 12.186 -4.015 -9.301) 15.847 8.501 ( -0.729 -10.513 11.325) 15.470 8.707 ( 9.504 8.126 9.811) 15.894 9.273 ( -10.074 -0.488 4.131) 10.899 9.436 ( 3.784 -6.935 5.784) 9.791 9.864 ( 6.505 -0.224 -0.476) 6.526 10.322 ( 5.957 -6.947 -15.997) 18.430 10.624 ( 1.414 -3.410 -8.238) 9.027 11.120 ( 5.639 -7.149 -9.904) 13.454 11.319 ( -4.777 -0.919 -2.347) 5.401 11.610 ( -1.313 8.709 4.843) 10.051 12.258 ( -2.438 10.894 -9.083) 14.391 12.477 ( 8.741 0.715 2.648) 9.161 13.005 ( 11.992 8.943 6.471) 16.299 13.243 ( -3.540 1.906 4.626) 6.129 13.653 ( 0.446 -2.434 10.988) 11.263 13.883 ( -4.396 12.649 -2.194) 13.569 14.589 ( -3.670 -11.995 3.081) 12.917 15.163 ( 4.917 -7.462 -6.719) 11.181 15.654 ( 8.815 7.689 -7.643) 13.973 16.064 ( -14.477 -8.709 -20.172) 26.312 18.013 ( 7.833 -8.571 19.907) 23.046 ======================= Grid point 66 (38/156) ======================= q-point: ( 0.05 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 9.587 14.750 0.000) 17.592 2.255 ( 41.746 5.889 -0.000) 42.159 3.265 ( -5.147 17.772 0.000) 18.503 4.557 ( -1.678 9.097 0.000) 9.251 4.681 ( 6.532 -4.704 -0.000) 8.050 4.937 ( -3.732 20.959 0.000) 21.289 5.651 ( -8.289 -8.210 0.000) 11.667 5.978 ( -10.417 3.595 0.000) 11.020 5.996 ( 11.331 -2.011 -0.000) 11.509 6.398 ( 10.382 18.572 0.000) 21.277 6.645 ( 5.882 -19.464 -0.000) 20.334 7.110 ( 2.358 1.109 -0.000) 2.606 7.298 ( -1.786 14.683 0.000) 14.792 7.801 ( -17.634 -5.137 0.000) 18.367 7.859 ( 6.696 -0.014 -0.000) 6.696 8.577 ( -0.772 -1.309 -0.000) 1.519 9.291 ( 1.532 -5.319 -0.000) 5.535 9.362 ( -17.549 8.833 0.000) 19.647 9.515 ( 3.967 2.863 -0.000) 4.892 9.663 ( 0.019 -8.193 -0.000) 8.193 9.950 ( 0.404 -17.377 -0.000) 17.382 10.300 ( -12.394 -3.014 0.000) 12.756 11.051 ( -12.745 -10.520 0.000) 16.526 11.197 ( 7.155 15.843 0.000) 17.384 11.654 ( 8.669 -0.653 -0.000) 8.694 12.006 ( 14.227 -4.107 -0.000) 14.808 12.560 ( -2.843 -12.061 -0.000) 12.392 13.161 ( 7.891 2.692 -0.000) 8.338 13.389 ( 13.838 -12.790 -0.000) 18.843 13.792 ( 19.341 14.695 -0.000) 24.290 14.125 ( -8.991 14.387 0.000) 16.966 14.509 ( -13.263 -0.662 0.000) 13.280 15.201 ( -18.030 -3.838 0.000) 18.434 15.347 ( -0.444 17.985 0.000) 17.990 15.508 ( 8.321 -12.685 -0.000) 15.171 18.487 ( -13.108 -13.894 -0.000) 19.101 ======================= Grid point 67 (39/156) ======================= q-point: ( 0.05 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 8.575 4.268 17.434) 19.892 3.259 ( 5.057 6.884 5.807) 10.329 3.686 ( 14.764 6.963 8.200) 18.267 4.432 ( -5.324 10.214 -0.651) 11.536 4.841 ( 10.396 0.586 -9.624) 14.179 5.099 ( 3.485 -5.476 0.855) 6.547 5.378 ( -0.770 14.276 -16.097) 21.529 5.630 ( -6.547 -4.431 21.218) 22.643 6.349 ( -1.601 3.138 -8.165) 8.892 6.542 ( 8.981 -11.051 -7.599) 16.141 6.647 ( -4.436 -5.233 -3.463) 7.685 6.843 ( -12.726 1.079 1.755) 12.892 7.119 ( -5.923 -2.048 6.907) 9.327 7.458 ( 3.357 -5.782 10.759) 12.667 8.021 ( -1.581 8.890 -14.169) 16.802 8.539 ( 4.404 -4.289 0.461) 6.165 8.914 ( -11.781 3.723 -6.835) 14.120 9.160 ( -6.440 -12.337 -5.838) 15.092 9.386 ( -1.457 -5.074 -0.400) 5.295 9.679 ( 5.630 -16.508 -9.434) 19.830 9.886 ( -2.233 0.735 12.186) 12.410 10.433 ( 9.604 -8.469 15.601) 20.183 11.254 ( 13.489 5.920 -4.085) 15.287 11.573 ( 9.868 14.274 -0.345) 17.357 11.771 ( -0.566 13.081 3.083) 13.452 12.112 ( -9.388 7.052 -0.965) 11.781 12.473 ( -2.020 6.597 0.542) 6.920 13.289 ( -0.959 6.885 -11.759) 13.660 13.451 ( -11.408 -2.613 0.538) 11.716 13.607 ( -0.267 1.018 0.364) 1.114 14.325 ( -15.475 -13.561 3.909) 20.944 14.570 ( 9.990 -14.486 -1.310) 17.645 14.827 ( 21.014 11.629 0.709) 24.028 15.126 ( -13.040 21.732 6.906) 26.268 16.119 ( 16.427 -10.574 6.710) 20.656 17.764 ( -17.784 -20.884 -8.242) 28.642 ======================= Grid point 68 (40/156) ======================= q-point: ( 0.05 -0.65 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -0.801 9.202 3.036) 9.723 3.491 ( -3.898 -0.536 2.730) 4.789 3.882 ( -1.514 5.975 -10.876) 12.501 4.159 ( -3.380 20.316 10.326) 23.039 4.742 ( -19.866 -12.406 16.593) 28.704 5.042 ( -4.354 4.816 -12.854) 14.400 5.428 ( 3.433 -6.095 -1.418) 7.138 5.645 ( 0.026 4.307 7.090) 8.295 6.216 ( 1.531 0.406 -5.685) 5.901 6.486 ( 6.800 -6.610 -6.353) 11.415 6.617 ( 2.021 5.925 -2.795) 6.856 6.945 ( 8.632 -3.470 2.233) 9.567 7.159 ( -0.196 2.273 5.115) 5.601 7.657 ( -0.294 -5.914 0.576) 5.949 7.956 ( -1.795 -3.610 6.144) 7.348 8.258 ( -6.245 0.382 -2.035) 6.579 8.552 ( -0.499 -2.150 -5.788) 6.194 9.016 ( 6.533 -7.590 5.435) 11.394 9.298 ( -4.145 -5.999 2.926) 7.857 9.956 ( 17.890 -23.169 -15.228) 32.996 10.084 ( -5.196 8.014 5.645) 11.095 10.788 ( 1.931 -2.424 -7.077) 7.726 11.317 ( -9.013 17.845 -5.580) 20.756 11.538 ( -5.312 4.173 -5.781) 8.892 11.681 ( 4.274 -0.818 6.546) 7.860 12.217 ( 5.375 6.273 5.112) 9.715 12.779 ( -4.959 5.188 -12.056) 14.030 12.819 ( 4.935 13.474 9.520) 17.220 13.213 ( -8.233 -2.499 10.163) 13.316 13.510 ( 2.570 2.173 1.096) 3.539 14.186 ( -1.540 -12.941 9.389) 16.062 14.476 ( -14.980 19.251 3.878) 24.698 14.974 ( 12.388 -13.103 -13.067) 22.268 15.698 ( 17.923 11.478 -3.915) 21.640 16.489 ( -13.305 -14.025 -13.728) 23.710 17.244 ( 8.032 -15.782 13.341) 22.171 ======================= Grid point 69 (41/156) ======================= q-point: ( 0.05 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -20.754 14.559 -12.514) 28.272 2.821 ( -14.899 10.469 -13.399) 22.608 3.696 ( 4.133 7.815 -13.324) 15.990 4.275 ( -8.371 -1.133 7.625) 11.380 4.423 ( -0.783 17.002 15.008) 22.692 4.909 ( 0.877 1.890 4.566) 5.019 5.081 ( -0.010 2.776 -11.950) 12.268 5.917 ( -6.803 6.389 14.559) 17.294 6.238 ( -4.197 12.069 -0.394) 12.784 6.403 ( 2.894 -8.545 -12.725) 15.598 6.822 ( 3.614 -6.149 2.933) 7.712 6.977 ( -6.681 -8.140 1.420) 10.626 7.360 ( 0.408 0.840 -12.443) 12.478 7.450 ( 0.013 7.243 16.398) 17.926 8.079 ( 20.207 -8.237 -3.634) 22.122 8.406 ( 3.150 -0.230 6.361) 7.102 8.982 ( -5.745 4.732 -2.292) 7.788 9.161 ( -0.317 7.068 7.402) 10.239 9.395 ( 5.752 -4.928 13.809) 15.750 10.019 ( 13.344 -3.400 -5.401) 14.792 10.381 ( 12.216 -7.404 -5.939) 15.470 10.540 ( 0.187 -3.644 -13.827) 14.301 11.068 ( -17.467 2.242 -4.669) 18.218 11.222 ( 4.048 2.923 -2.472) 5.572 11.597 ( -9.217 -0.167 1.241) 9.302 12.118 ( -7.237 -12.398 0.734) 14.374 12.502 ( -6.210 -9.079 4.668) 11.950 12.801 ( -2.976 4.823 8.554) 10.262 13.472 ( -7.384 -11.746 3.660) 14.349 13.904 ( 24.207 6.676 -2.697) 25.255 13.995 ( -10.079 16.905 1.474) 19.736 14.647 ( 12.366 3.212 -0.762) 12.799 14.988 ( -10.341 -9.042 -9.044) 16.446 15.346 ( -5.798 -13.956 -10.874) 18.617 16.209 ( 7.813 12.634 -11.813) 18.979 18.057 ( 10.175 -6.278 19.809) 23.137 ======================= Grid point 71 (42/156) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 6.674 9.078 0.000) 11.268 3.146 ( 32.340 5.940 -0.000) 32.881 3.301 ( -5.032 0.730 0.000) 5.084 4.688 ( -2.953 9.445 0.000) 9.896 4.784 ( 8.941 -7.840 -0.000) 11.892 5.220 ( -10.705 -10.041 0.000) 14.677 5.354 ( 0.820 21.562 0.000) 21.578 6.027 ( -5.009 14.150 0.000) 15.011 6.151 ( 12.348 -6.881 -0.000) 14.135 6.185 ( 1.427 -26.972 -0.000) 27.010 6.783 ( -6.859 13.349 0.000) 15.008 7.211 ( -2.224 -1.883 0.000) 2.914 7.302 ( -18.962 3.053 0.000) 19.206 7.325 ( -9.794 7.086 0.000) 12.088 8.189 ( 9.860 4.025 -0.000) 10.650 8.385 ( 0.964 -12.560 -0.000) 12.597 9.130 ( -2.600 -8.682 -0.000) 9.063 9.182 ( -8.741 -5.233 0.000) 10.188 9.549 ( 0.118 -1.997 -0.000) 2.001 9.612 ( -3.964 5.799 0.000) 7.024 9.744 ( 2.711 -5.511 -0.000) 6.142 9.952 ( -13.970 4.657 0.000) 14.725 11.123 ( 19.640 5.327 -0.000) 20.350 11.587 ( 5.132 8.214 0.000) 9.685 11.888 ( 9.781 6.815 -0.000) 11.921 12.119 ( 0.104 -7.021 -0.000) 7.022 12.357 ( 12.897 -7.288 -0.000) 14.813 13.240 ( 4.924 -7.504 -0.000) 8.975 13.539 ( 18.167 -7.412 -0.000) 19.620 14.078 ( -14.479 8.425 0.000) 16.752 14.084 ( -21.889 -5.111 0.000) 22.478 14.628 ( -5.675 3.583 0.000) 6.711 14.807 ( 3.881 24.094 0.000) 24.405 15.430 ( 15.282 -18.338 -0.000) 23.871 15.651 ( -3.859 15.913 0.000) 16.375 17.831 ( -20.071 -17.709 0.000) 26.767 ======================= Grid point 72 (43/156) ======================= q-point: ( 0.05 0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 7.903 6.026 12.645) 16.083 3.170 ( -4.103 -9.459 12.020) 15.837 4.142 ( 9.133 9.454 0.899) 13.176 4.601 ( -5.124 13.943 0.482) 14.863 4.646 ( -13.452 -14.112 2.428) 19.647 4.999 ( 6.233 -5.756 -2.193) 8.764 5.493 ( -6.723 11.018 2.201) 13.093 5.915 ( 3.527 17.792 -2.343) 18.289 6.126 ( 1.836 -17.006 -6.319) 18.235 6.488 ( 0.859 1.151 -5.238) 5.431 6.518 ( 3.569 -6.367 -5.064) 8.884 6.681 ( 0.936 -6.865 0.505) 6.947 7.191 ( 1.038 8.373 6.746) 10.802 7.437 ( 0.680 -4.093 9.900) 10.734 8.123 ( -5.822 9.787 -8.136) 13.996 8.440 ( -5.134 -2.728 5.776) 8.195 8.807 ( 1.154 -4.114 -12.270) 12.992 8.826 ( -7.699 -1.098 -10.199) 12.825 9.224 ( -1.052 -4.427 -5.250) 6.947 9.525 ( 11.801 -17.850 -16.872) 27.250 9.972 ( -1.359 7.537 19.886) 21.310 10.394 ( 7.881 -12.483 19.018) 24.076 11.581 ( 3.339 6.639 -6.211) 9.685 11.832 ( -2.128 -2.023 -12.364) 12.708 12.129 ( 5.101 11.898 -1.668) 13.052 12.236 ( -1.869 16.659 1.233) 16.809 12.736 ( 5.439 14.320 10.913) 18.808 13.078 ( -6.415 -4.436 7.934) 11.126 13.285 ( -8.436 0.867 -5.121) 9.907 13.614 ( -17.804 -4.462 2.957) 18.591 13.748 ( -0.904 -3.406 0.295) 3.536 14.425 ( 18.985 -22.768 -6.699) 30.392 15.281 ( -16.033 22.189 4.145) 27.687 15.610 ( 17.752 14.330 1.167) 22.844 16.298 ( 22.425 -6.092 1.452) 23.283 16.878 ( -22.734 -25.374 -4.392) 34.350 ======================= Grid point 73 (44/156) ======================= q-point: ( 0.05 -0.65 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -0.616 -0.194 -0.672) 0.931 3.233 ( -10.766 4.099 7.118) 13.542 3.823 ( -15.410 -5.641 6.220) 17.550 4.190 ( -9.837 3.721 12.222) 16.124 4.594 ( 1.627 22.271 1.412) 22.375 5.125 ( 3.461 -3.405 -16.924) 17.607 5.490 ( 0.794 11.801 -5.308) 12.965 5.680 ( -0.552 -1.735 12.521) 12.653 6.277 ( 2.961 -1.500 4.885) 5.906 6.466 ( 2.625 -2.792 -11.755) 12.364 6.598 ( 2.846 -11.624 -3.846) 12.570 7.039 ( 3.759 -2.332 -7.882) 9.039 7.318 ( 0.183 8.018 6.252) 10.169 7.440 ( -1.873 -7.496 -1.371) 7.847 7.915 ( 2.938 5.588 -4.381) 7.685 8.288 ( 3.542 4.623 1.923) 6.133 8.728 ( 11.375 -3.462 4.001) 12.546 9.073 ( 6.852 3.375 11.283) 13.625 9.157 ( 1.787 -3.245 -5.431) 6.574 9.888 ( 18.145 -19.567 -12.770) 29.583 10.105 ( -6.558 6.200 4.914) 10.276 10.762 ( 2.106 -5.018 -2.338) 5.923 11.334 ( -15.464 3.297 4.948) 16.568 11.479 ( -6.710 7.709 -6.574) 12.153 11.786 ( 5.130 0.008 1.437) 5.328 12.014 ( -20.537 -6.536 2.774) 21.730 12.454 ( -12.819 0.077 2.719) 13.104 12.955 ( -8.458 7.503 3.263) 11.768 13.344 ( -11.561 -9.914 5.960) 16.354 13.680 ( 23.740 11.640 -3.265) 26.641 14.271 ( 18.972 0.245 1.406) 19.026 14.633 ( -9.748 19.720 1.759) 22.068 14.942 ( 8.050 -10.254 -8.619) 15.628 15.544 ( -22.974 -22.247 -11.105) 33.853 16.362 ( 11.246 7.342 1.054) 13.472 17.325 ( 18.362 -5.485 8.041) 20.783 ======================= Grid point 75 (45/156) ======================= q-point: ( 0.05 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 23.959 12.607 -7.808) 28.177 2.433 ( 2.777 13.489 -22.842) 26.672 3.698 ( -4.940 -0.177 -12.184) 13.148 4.221 ( 6.135 -4.462 12.716) 14.807 4.971 ( 3.976 5.558 -15.520) 16.958 5.175 ( -8.840 12.065 18.819) 24.038 5.847 ( -2.729 -4.537 4.404) 6.887 5.920 ( 2.158 13.218 9.551) 16.450 6.045 ( -2.639 -1.622 -4.132) 5.164 6.129 ( -1.082 -12.078 -4.124) 12.809 6.471 ( 9.845 8.945 -4.548) 14.058 7.150 ( 5.515 4.353 8.454) 10.992 7.603 ( 3.886 -2.090 2.228) 4.943 7.750 ( 0.057 14.267 -5.136) 15.163 8.038 ( -13.546 2.852 -0.988) 13.878 8.627 ( -5.584 -6.111 5.611) 10.001 8.997 ( -6.080 0.581 13.842) 15.130 9.299 ( 4.405 -12.950 0.913) 13.709 9.574 ( -1.394 -0.224 -1.140) 1.815 9.881 ( -7.784 4.893 1.811) 9.371 10.033 ( -9.474 -0.720 -16.749) 19.257 10.468 ( 1.481 3.135 -10.489) 11.047 11.131 ( -3.769 -13.461 4.879) 14.805 11.257 ( 8.595 6.791 3.836) 11.606 11.434 ( -4.410 -6.278 -5.447) 9.409 11.740 ( 12.302 -0.644 -10.273) 16.040 12.291 ( 1.610 -8.974 1.864) 9.306 12.719 ( 12.519 -12.730 5.462) 18.671 13.128 ( -3.045 0.607 2.597) 4.048 13.617 ( 19.877 5.825 -0.123) 20.713 14.406 ( -6.371 16.619 12.072) 21.506 14.868 ( -0.856 -6.692 2.713) 7.271 15.128 ( -0.037 2.250 -1.170) 2.536 15.322 ( -5.405 -3.343 1.312) 6.490 16.017 ( -5.785 10.998 -24.276) 27.272 18.360 ( -9.780 -10.995 11.366) 18.593 ======================= Grid point 76 (46/156) ======================= q-point: ( 0.05 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 7.473 10.192 0.000) 12.638 3.039 ( -9.825 -6.239 0.000) 11.639 3.916 ( 25.813 9.091 -0.000) 27.367 4.535 ( -4.863 -15.638 -0.000) 16.377 4.845 ( -0.946 10.278 0.000) 10.322 4.893 ( -4.893 -10.037 -0.000) 11.166 5.738 ( 2.380 -18.318 -0.000) 18.472 5.783 ( 1.367 18.162 0.000) 18.213 6.201 ( 9.332 -10.186 -0.000) 13.814 6.364 ( 0.607 17.772 0.000) 17.782 6.679 ( -11.754 -0.107 0.000) 11.754 6.858 ( -17.275 0.421 0.000) 17.280 7.244 ( -1.192 -3.000 -0.000) 3.228 7.318 ( -4.777 5.700 0.000) 7.437 8.225 ( 5.861 -9.092 -0.000) 10.818 8.308 ( 3.959 -2.311 -0.000) 4.585 8.895 ( -1.696 -9.212 -0.000) 9.367 8.958 ( -3.769 0.323 0.000) 3.783 9.542 ( -1.149 1.195 0.000) 1.657 9.555 ( 1.712 -6.564 -0.000) 6.783 9.857 ( -7.945 16.507 0.000) 18.319 9.889 ( -7.329 8.116 0.000) 10.935 11.796 ( 2.916 6.531 0.000) 7.152 11.802 ( 15.908 1.130 -0.000) 15.948 11.916 ( 12.079 -1.045 -0.000) 12.124 12.226 ( 13.920 -1.128 -0.000) 13.965 12.711 ( 18.849 4.482 -0.000) 19.374 13.062 ( -9.854 -7.581 0.000) 12.433 13.442 ( -7.353 -19.060 -0.000) 20.429 13.592 ( -16.849 -12.955 0.000) 21.254 13.774 ( 0.831 3.722 0.000) 3.814 14.492 ( -22.232 21.560 0.000) 30.970 15.329 ( 14.032 -16.201 -0.000) 21.433 15.801 ( -7.416 9.149 0.000) 11.777 15.863 ( 29.070 24.245 -0.000) 37.853 17.004 ( -26.408 -16.361 0.000) 31.066 ======================= Grid point 77 (47/156) ======================= q-point: ( 0.05 0.15 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -5.801 -9.805 15.646) 19.354 3.145 ( 8.448 6.594 9.346) 14.219 3.971 ( -24.508 -8.907 4.911) 26.535 4.491 ( 0.390 14.013 -2.578) 14.254 4.844 ( 1.746 5.589 -1.937) 6.167 4.951 ( 7.230 -8.188 5.635) 12.292 5.629 ( -5.226 14.043 -5.805) 16.069 5.901 ( 3.458 -10.730 7.142) 13.345 6.096 ( -7.855 2.949 -10.401) 13.363 6.348 ( -0.643 -13.029 -1.263) 13.106 6.586 ( 7.219 4.031 -6.633) 10.600 6.842 ( 18.926 -1.722 -2.968) 19.235 7.291 ( -0.537 -1.899 4.901) 5.283 7.389 ( 1.522 0.671 5.532) 5.777 8.185 ( -7.279 10.321 -2.588) 12.892 8.354 ( -1.387 0.350 3.439) 3.724 8.734 ( -0.493 -0.731 -18.023) 18.044 8.920 ( 6.406 9.411 1.670) 11.507 9.233 ( 2.699 2.215 -12.909) 13.373 9.444 ( 13.495 -14.694 -14.029) 24.389 10.058 ( -5.171 6.580 20.780) 22.402 10.265 ( 5.746 -13.070 19.089) 23.838 11.602 ( -10.404 -6.791 -11.781) 17.122 11.783 ( 0.353 4.195 -5.083) 6.600 11.943 ( -16.373 -2.030 1.579) 16.574 12.304 ( -13.676 2.425 5.282) 14.859 12.762 ( -18.655 -4.552 4.060) 19.627 13.099 ( 8.024 6.429 4.685) 11.299 13.398 ( 1.834 8.266 -3.582) 9.194 13.653 ( 1.466 16.925 0.281) 16.990 13.756 ( 17.215 -0.297 2.593) 17.412 14.406 ( 21.558 -20.437 -7.786) 30.709 15.367 ( -14.453 16.130 3.568) 21.950 15.740 ( -19.454 -17.028 -4.933) 26.320 15.979 ( -0.123 -14.643 9.575) 17.496 16.954 ( 25.934 14.715 -4.699) 30.186 ======================= Grid point 78 (48/156) ======================= q-point: ( 0.05 0.35 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -26.544 -6.331 7.355) 28.263 3.218 ( -7.824 -6.191 17.387) 20.046 3.580 ( -1.371 7.795 -1.308) 8.022 4.202 ( -1.999 3.681 4.707) 6.301 4.935 ( 5.368 -5.383 -8.509) 11.411 5.254 ( 1.585 16.997 0.852) 17.092 5.607 ( 0.284 -2.891 4.563) 5.409 5.722 ( 4.410 -0.681 -10.244) 11.174 6.228 ( -6.334 -4.490 7.597) 10.863 6.234 ( 0.193 -4.639 7.380) 8.719 6.580 ( 3.322 -4.354 -15.299) 16.250 7.024 ( -4.627 1.736 -12.955) 13.866 7.426 ( 11.428 -3.250 -4.577) 12.733 7.533 ( 6.270 10.135 1.339) 11.993 8.176 ( 3.424 5.831 0.897) 6.821 8.372 ( 2.348 -5.566 -6.199) 8.656 8.785 ( 12.063 -10.186 7.230) 17.365 9.158 ( 3.547 3.188 -4.677) 6.679 9.475 ( 1.464 11.259 8.383) 14.113 9.929 ( 15.831 -10.106 -3.229) 19.057 10.089 ( 2.442 -0.113 4.149) 4.816 10.681 ( 2.940 -3.887 5.344) 7.233 10.957 ( -13.560 -3.472 6.096) 15.268 11.464 ( -15.456 6.980 -0.268) 16.961 11.514 ( -7.969 -2.240 -3.511) 8.992 12.021 ( 1.668 10.148 -3.158) 10.758 12.248 ( -11.467 3.524 12.900) 17.616 12.847 ( -14.097 -3.598 -2.984) 14.852 13.010 ( -4.455 2.245 -1.780) 5.297 14.038 ( 4.238 -9.333 -11.291) 15.249 14.458 ( -17.423 -12.786 -3.952) 21.969 14.718 ( 1.409 7.828 3.016) 8.507 14.862 ( 14.037 0.706 -9.814) 17.142 15.155 ( 5.764 4.279 4.910) 8.697 16.564 ( 5.824 -4.444 15.552) 17.191 17.695 ( 16.276 4.849 -6.642) 18.236 ======================= Grid point 80 (49/156) ======================= q-point: ( 0.05 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 19.781 8.679 -6.772) 22.638 2.788 ( 17.449 10.530 -19.068) 27.909 3.497 ( -6.522 -6.695 -8.766) 12.814 4.271 ( 7.293 -7.018 10.538) 14.611 4.987 ( -2.477 -5.868 -4.841) 8.000 5.255 ( -5.362 4.653 -0.120) 7.100 5.538 ( -0.871 -13.266 4.145) 13.926 5.906 ( -1.936 -2.418 0.931) 3.234 5.995 ( -0.412 1.172 -12.505) 12.567 6.214 ( 4.992 11.780 4.843) 13.680 6.856 ( -0.122 9.442 12.802) 15.908 7.349 ( 3.870 3.037 7.942) 9.342 7.438 ( -5.915 -7.050 6.909) 11.507 7.648 ( -18.726 0.108 9.629) 21.057 8.075 ( 0.925 -0.815 -6.024) 6.149 8.364 ( -7.393 -3.261 -11.776) 14.282 8.863 ( -5.818 1.856 16.413) 17.512 9.142 ( -0.993 -10.204 -7.033) 12.433 9.353 ( -1.895 -8.648 0.616) 8.875 9.884 ( -1.297 -0.152 -16.176) 16.228 10.076 ( -12.781 19.720 9.441) 25.325 10.541 ( -7.949 9.907 -8.996) 15.565 10.860 ( 12.038 2.264 -2.523) 12.506 11.546 ( 17.192 -6.229 6.927) 19.554 11.574 ( 6.863 3.132 2.836) 8.059 11.985 ( 11.791 -4.088 -11.159) 16.741 12.028 ( 1.867 -8.979 -2.983) 9.644 12.917 ( 15.764 -3.245 3.024) 16.376 13.063 ( -0.618 -0.772 2.731) 2.905 14.261 ( 0.582 7.617 9.925) 12.525 14.467 ( 9.930 -3.452 -1.599) 10.634 14.708 ( -8.949 6.525 0.917) 11.114 14.947 ( -5.584 -11.476 -2.871) 13.081 15.231 ( -6.488 14.666 14.420) 21.567 16.156 ( -2.461 8.739 -23.075) 24.797 17.847 ( -17.238 -12.091 6.721) 22.103 ======================= Grid point 81 (50/156) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -10.330 -6.069 0.000) 11.981 3.030 ( 5.921 9.556 0.000) 11.241 4.127 ( -12.368 -9.089 0.000) 15.349 4.598 ( 1.228 -13.533 -0.000) 13.589 4.616 ( 19.425 15.625 -0.000) 24.929 5.035 ( -0.125 8.262 0.000) 8.263 5.450 ( -1.289 -13.528 -0.000) 13.589 5.955 ( -1.659 -19.638 -0.000) 19.708 6.199 ( 2.247 19.474 0.000) 19.603 6.542 ( -10.252 2.808 0.000) 10.630 6.598 ( 5.641 0.780 -0.000) 5.695 6.662 ( -3.416 6.707 0.000) 7.527 7.115 ( 0.870 -8.739 -0.000) 8.782 7.322 ( -3.492 2.894 0.000) 4.535 8.222 ( 5.820 -4.843 -0.000) 7.571 8.362 ( 5.435 -0.765 -0.000) 5.489 8.889 ( 8.395 3.285 -0.000) 9.015 9.003 ( -0.255 6.034 0.000) 6.039 9.450 ( 2.368 -7.496 -0.000) 7.861 9.523 ( -2.313 1.370 0.000) 2.689 9.958 ( -6.729 12.582 0.000) 14.268 9.993 ( -12.406 16.498 0.000) 20.642 11.663 ( 0.432 -7.801 -0.000) 7.813 11.967 ( 0.731 2.161 0.000) 2.281 12.126 ( -15.166 -11.907 0.000) 19.282 12.266 ( 2.404 -17.531 -0.000) 17.695 12.586 ( 1.102 -14.539 -0.000) 14.581 12.985 ( 10.309 6.165 -0.000) 12.012 13.372 ( 1.251 2.728 0.000) 3.001 13.520 ( 22.887 11.971 -0.000) 25.828 13.780 ( 2.129 -7.794 -0.000) 8.079 14.494 ( -20.351 21.885 0.000) 29.885 15.241 ( 13.759 -20.359 -0.000) 24.572 15.589 ( -15.471 -12.615 0.000) 19.962 16.284 ( -24.990 2.821 0.000) 25.149 16.926 ( 24.612 25.877 0.000) 35.712 ======================= Grid point 82 (51/156) ======================= q-point: ( 0.05 0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -6.292 -8.513 18.233) 21.083 3.217 ( -29.267 -5.645 6.990) 30.615 3.416 ( 3.649 -0.437 10.434) 11.063 4.572 ( -6.972 2.281 -5.592) 9.224 4.872 ( 0.798 -6.487 -8.362) 10.613 4.993 ( 4.235 -4.530 3.178) 6.968 5.696 ( 3.959 -1.423 18.591) 19.061 5.823 ( 5.049 -19.158 -18.589) 27.168 6.044 ( -5.128 19.159 -5.965) 20.711 6.258 ( -4.004 9.557 2.104) 10.573 6.682 ( 0.634 -5.949 -4.552) 7.518 7.210 ( 18.975 -0.345 -6.613) 20.097 7.320 ( 6.202 -3.363 -2.527) 7.494 7.390 ( 2.435 -0.627 11.706) 11.973 8.124 ( -8.988 -5.640 -3.889) 11.301 8.406 ( 4.053 5.117 0.206) 6.530 8.847 ( -1.021 11.579 -20.502) 23.568 9.255 ( 3.811 7.750 1.460) 8.759 9.434 ( 16.589 -7.918 -5.986) 19.332 9.484 ( 5.203 6.172 -1.697) 8.249 9.987 ( -4.394 -0.046 12.845) 13.576 10.217 ( 5.727 -1.460 18.638) 19.553 11.076 ( -16.593 -6.464 -1.777) 17.896 11.610 ( -6.994 -6.879 -0.307) 9.815 11.850 ( -6.657 -1.690 -2.266) 7.232 12.195 ( -0.738 4.908 5.960) 7.756 12.396 ( -14.060 4.353 4.072) 15.271 13.176 ( -7.991 6.315 -6.058) 11.851 13.518 ( -15.123 6.668 -2.280) 16.684 13.769 ( 16.783 -4.628 -14.815) 22.860 14.361 ( 16.551 -2.676 10.986) 20.044 14.602 ( 17.224 4.298 -1.624) 17.826 14.713 ( -17.951 -24.200 -7.200) 30.979 15.470 ( -14.399 17.532 4.249) 23.081 15.829 ( 7.602 -16.156 15.157) 23.421 17.747 ( 19.249 16.699 -8.218) 26.775 ======================= Grid point 84 (52/156) ======================= q-point: ( 0.05 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 23.079 0.974 2.218) 23.206 3.201 ( 2.773 -0.064 -6.591) 7.151 3.410 ( 2.352 -2.712 -2.286) 4.256 4.158 ( -3.120 -3.799 -10.422) 11.524 4.782 ( -7.272 -23.577 -10.289) 26.733 5.265 ( -0.919 8.502 23.053) 24.588 5.496 ( 3.854 -14.727 -10.638) 18.571 5.614 ( -1.150 -8.023 4.602) 9.321 6.072 ( 8.260 -0.383 -6.082) 10.265 6.483 ( -2.981 10.574 0.126) 10.987 6.816 ( 5.507 0.970 14.772) 15.795 6.861 ( -0.730 4.777 6.461) 8.068 7.395 ( -5.328 -9.986 -4.699) 12.256 7.754 ( -10.706 0.498 12.701) 16.619 8.210 ( -2.276 -1.621 -8.223) 8.685 8.571 ( -10.204 3.050 5.597) 12.031 8.966 ( 14.601 -5.276 0.148) 15.526 9.070 ( -0.794 -3.269 -13.025) 13.453 9.254 ( -6.809 -9.418 -10.454) 15.631 10.307 ( -15.021 1.521 -6.997) 16.640 10.484 ( -1.112 19.016 11.417) 22.208 10.685 ( 8.607 1.478 7.783) 11.698 10.785 ( -0.881 1.431 0.197) 1.691 11.223 ( -2.715 -0.724 -5.469) 6.148 11.395 ( 9.730 3.356 4.232) 11.128 11.929 ( -3.203 -2.838 -0.561) 4.317 12.005 ( 7.350 1.790 -12.720) 14.799 12.671 ( 8.732 8.066 0.222) 11.890 13.214 ( -6.691 10.089 6.998) 13.983 13.780 ( 22.358 1.178 1.000) 22.412 14.412 ( 5.292 -5.545 1.043) 7.735 14.773 ( -8.256 7.059 6.676) 12.750 15.040 ( -6.902 -1.729 8.416) 11.021 15.335 ( -5.005 2.766 -0.396) 5.732 16.660 ( -3.893 -3.678 -4.221) 6.819 17.864 ( -6.818 -3.385 -6.019) 9.704 ======================= Grid point 85 (53/156) ======================= q-point: ( 0.05 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 7.894 9.101 -15.376) 19.533 3.155 ( -6.069 -8.125 -5.151) 11.375 3.613 ( 29.538 11.092 -9.563) 32.969 4.184 ( 3.248 -10.524 6.150) 12.614 4.627 ( -1.362 -22.060 3.892) 22.442 5.224 ( -2.973 3.958 -14.943) 15.742 5.424 ( -3.157 0.466 9.041) 9.588 5.769 ( 3.829 -11.775 7.378) 14.414 6.140 ( 0.398 9.530 -7.233) 11.971 6.567 ( 6.472 8.465 1.111) 10.713 6.796 ( -13.305 0.700 11.804) 17.801 7.124 ( -4.903 -9.280 -3.621) 11.103 7.286 ( -8.708 -1.197 7.767) 11.730 7.519 ( -5.987 5.664 3.699) 9.034 7.944 ( 0.716 -2.953 1.274) 3.295 8.225 ( -0.623 -2.504 -5.962) 6.496 8.777 ( -6.020 -6.951 -0.241) 9.199 8.915 ( -0.050 2.286 3.439) 4.130 9.255 ( -1.507 -1.367 5.180) 5.565 9.894 ( 2.492 -2.403 -15.285) 15.672 10.148 ( -16.689 20.813 12.722) 29.556 10.705 ( -6.310 15.652 -7.982) 18.668 11.295 ( 23.861 -6.625 0.632) 24.772 11.588 ( 2.510 -3.711 5.749) 7.289 11.814 ( 0.138 -5.065 0.213) 5.072 11.937 ( 16.548 4.287 -1.093) 17.129 12.371 ( 18.757 4.592 -6.471) 20.366 12.949 ( 3.527 -8.177 3.044) 9.411 13.219 ( 6.747 2.981 -6.527) 9.849 13.718 ( -24.454 -14.833 0.629) 28.608 14.284 ( -21.448 4.152 2.008) 21.939 14.579 ( 11.464 -22.407 -2.846) 25.329 15.135 ( -5.455 15.973 9.346) 19.293 15.748 ( 17.736 19.260 9.470) 27.843 16.217 ( -3.688 6.664 -12.001) 14.214 17.251 ( -20.583 -6.379 -0.382) 21.553 ======================= Grid point 86 (54/156) ======================= q-point: ( 0.05 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -10.679 -4.771 0.000) 11.696 3.181 ( -3.498 -3.013 0.000) 4.617 3.601 ( -17.229 -10.049 0.000) 19.946 4.444 ( 3.463 -7.510 -0.000) 8.270 5.010 ( -8.041 -3.447 0.000) 8.749 5.109 ( -10.558 -8.245 0.000) 13.396 5.288 ( 11.488 14.739 0.000) 18.687 5.604 ( 7.353 -10.477 -0.000) 12.800 6.395 ( 0.243 -7.580 -0.000) 7.583 6.616 ( -13.947 3.819 0.000) 14.461 6.734 ( 0.598 15.081 0.000) 15.093 6.851 ( 19.093 8.031 -0.000) 20.713 7.016 ( 7.482 -7.167 -0.000) 10.361 7.327 ( -3.313 8.347 0.000) 8.980 8.188 ( -1.804 -5.926 -0.000) 6.194 8.485 ( 8.523 -1.506 -0.000) 8.655 9.053 ( -3.430 0.155 0.000) 3.434 9.202 ( 6.497 4.581 -0.000) 7.950 9.458 ( 12.093 0.411 -0.000) 12.100 9.590 ( 1.345 7.764 0.000) 7.879 9.998 ( -14.560 11.032 0.000) 18.268 10.121 ( -6.201 16.330 0.000) 17.467 11.383 ( -19.465 -7.829 0.000) 20.981 11.490 ( -5.319 -11.081 -0.000) 12.292 11.750 ( -0.695 -19.722 -0.000) 19.735 12.115 ( 6.556 -3.356 -0.000) 7.365 12.472 ( 4.831 -6.059 -0.000) 7.749 13.415 ( 18.071 -0.887 -0.000) 18.093 13.511 ( 3.472 4.286 0.000) 5.516 13.546 ( -6.706 -7.500 -0.000) 10.060 14.270 ( 23.951 9.660 -0.000) 25.826 14.591 ( -12.293 19.965 0.000) 23.446 14.820 ( -24.011 -15.368 0.000) 28.508 15.055 ( 8.995 -20.765 -0.000) 22.630 16.047 ( -16.375 9.410 0.000) 18.886 17.850 ( 18.802 21.814 0.000) 28.798 ======================= Grid point 87 (55/156) ======================= q-point: ( 0.05 0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -16.570 -11.624 14.337) 24.803 2.406 ( -31.770 -8.431 16.252) 36.668 3.398 ( 5.858 -16.167 12.933) 21.516 4.447 ( -6.285 1.353 -7.430) 9.825 4.722 ( 5.712 -15.408 -14.679) 22.034 4.851 ( -0.985 -4.318 12.501) 13.263 5.587 ( 3.249 -15.560 -22.477) 27.530 5.886 ( 1.628 5.188 5.924) 8.041 6.049 ( -5.087 1.997 3.452) 6.464 6.352 ( -4.764 -6.156 -1.802) 7.989 6.668 ( -4.419 15.109 2.106) 15.882 7.198 ( -3.514 -1.678 -0.281) 3.904 7.387 ( 5.421 -12.331 8.671) 16.019 7.701 ( 8.969 -4.221 -8.483) 13.047 7.780 ( -0.713 7.589 -2.363) 7.980 8.626 ( 4.608 2.299 1.057) 5.257 8.980 ( -2.248 3.678 -18.344) 18.843 9.334 ( 4.995 -9.419 -1.013) 10.709 9.528 ( 2.782 8.378 -6.803) 11.145 9.808 ( 9.179 6.618 9.530) 14.795 10.037 ( -3.381 9.463 10.050) 14.212 10.427 ( 7.681 1.062 10.034) 12.681 11.008 ( 11.148 7.364 0.291) 13.364 11.262 ( -3.957 -10.373 3.520) 11.647 11.661 ( -8.394 0.299 -0.199) 8.401 12.086 ( -13.425 2.525 7.350) 15.512 12.529 ( 1.287 11.486 -2.637) 11.855 13.119 ( -7.354 2.191 -4.164) 8.730 13.341 ( -10.910 4.880 -4.417) 12.741 13.791 ( -13.447 -7.658 -0.930) 15.503 13.958 ( 3.143 -9.872 -11.010) 15.118 14.594 ( 12.268 -3.930 3.566) 13.367 15.101 ( 11.627 2.498 -1.832) 12.033 15.512 ( -5.175 4.667 6.741) 9.695 15.670 ( 3.913 -7.574 17.495) 19.462 18.352 ( 11.567 11.900 -12.868) 21.000 ======================= Grid point 89 (56/156) ======================= q-point: ( 0.05 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 24.808 -5.461 6.285) 26.168 3.059 ( 2.462 -11.195 7.957) 13.954 3.708 ( 13.004 10.223 -16.714) 23.515 4.042 ( -1.076 -2.428 -7.221) 7.694 4.148 ( -3.265 -23.012 -8.239) 24.659 5.105 ( -1.241 -15.929 16.184) 22.742 5.382 ( -2.660 5.479 16.045) 17.162 5.571 ( 6.476 -7.264 -17.438) 19.969 6.249 ( 11.766 -5.494 1.900) 13.124 6.584 ( -6.971 8.775 0.969) 11.249 6.827 ( -1.589 1.862 5.400) 5.929 6.978 ( 3.062 -3.290 0.193) 4.499 7.178 ( -0.214 -4.682 -6.244) 7.808 7.622 ( -5.436 3.330 12.313) 13.866 8.092 ( -7.613 7.028 -2.468) 10.650 8.384 ( -11.155 -0.554 3.529) 11.713 8.857 ( -4.545 -10.774 -11.103) 16.125 9.060 ( 4.521 -1.088 -12.739) 13.561 9.140 ( 4.834 -1.687 -2.185) 5.567 10.035 ( -10.505 -0.537 -3.629) 11.128 10.587 ( -9.982 10.383 12.681) 19.190 10.755 ( 0.297 -1.349 4.970) 5.158 11.110 ( 6.299 10.069 1.187) 11.936 11.278 ( 9.058 0.012 3.397) 9.674 11.574 ( 5.137 -7.879 -0.931) 9.452 12.096 ( 4.214 17.983 -1.961) 18.574 12.363 ( 16.100 9.378 -8.524) 20.489 12.731 ( -2.535 -2.932 2.318) 4.516 13.404 ( -0.917 10.541 -3.817) 11.249 13.945 ( -21.436 -15.409 0.066) 26.400 13.967 ( 4.578 -7.710 0.211) 8.970 14.709 ( -16.748 -2.599 4.848) 17.629 15.151 ( 10.590 9.684 7.368) 16.131 15.555 ( 12.549 13.540 9.814) 20.907 16.415 ( -7.898 -7.260 7.361) 13.010 17.668 ( -8.455 0.418 -17.566) 19.500 ======================= Grid point 90 (57/156) ======================= q-point: ( 0.05 0.75 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -5.658 -6.904 -7.530) 11.678 3.280 ( 6.734 8.629 -14.460) 18.135 3.999 ( -5.855 -20.342 3.203) 21.409 4.162 ( 6.806 -13.029 5.785) 15.796 4.476 ( 29.487 12.818 -8.671) 33.301 5.266 ( -3.319 3.820 -10.167) 11.357 5.299 ( -4.448 -4.192 10.735) 12.353 5.647 ( 1.453 -6.769 0.056) 6.924 6.299 ( 1.265 2.536 2.212) 3.595 6.547 ( -5.631 -0.215 7.523) 9.399 6.793 ( 0.890 3.713 4.740) 6.086 6.905 ( -8.362 3.528 -2.721) 9.475 7.043 ( -5.325 -4.793 -3.643) 8.037 7.574 ( -1.537 7.269 -4.702) 8.792 7.983 ( -1.791 1.602 6.114) 6.569 8.250 ( 6.334 -0.656 -2.917) 7.004 8.722 ( 7.045 3.883 7.029) 10.682 8.977 ( -1.009 3.397 3.694) 5.119 9.249 ( 2.460 0.199 -1.387) 2.832 9.876 ( 0.636 -1.879 -13.301) 13.448 10.264 ( -16.175 22.978 13.980) 31.386 10.829 ( -8.400 10.846 -3.431) 14.141 11.371 ( 16.411 -21.805 1.808) 27.350 11.617 ( -3.002 0.447 1.310) 3.306 11.699 ( 4.891 -8.506 6.293) 11.657 12.105 ( -3.709 -7.820 -5.048) 10.020 12.654 ( -14.612 -11.147 -5.690) 19.239 12.981 ( 18.610 11.062 -0.770) 21.663 13.061 ( -0.012 -7.958 3.964) 8.891 13.450 ( 8.058 -1.982 -5.902) 10.183 14.047 ( -9.645 7.113 -3.975) 12.626 14.413 ( 12.401 -16.885 -2.328) 21.078 15.233 ( -12.565 12.878 12.330) 21.812 15.713 ( -16.276 -8.862 -2.647) 18.720 16.689 ( -1.436 7.020 5.677) 9.141 17.039 ( 7.372 19.900 -6.175) 22.101 ======================= Grid point 91 (58/156) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -16.646 -8.944 0.000) 18.897 2.553 ( -14.746 -31.930 -0.000) 35.171 3.221 ( -23.283 2.997 0.000) 23.475 4.382 ( 0.799 -3.836 -0.000) 3.919 4.751 ( -12.867 -1.564 0.000) 12.961 4.760 ( 0.026 -5.281 -0.000) 5.281 5.584 ( 5.171 0.383 -0.000) 5.186 5.879 ( 9.506 13.405 0.000) 16.433 6.160 ( -1.422 -14.521 -0.000) 14.590 6.322 ( -16.414 -2.471 0.000) 16.598 6.909 ( 8.845 -2.650 -0.000) 9.233 7.043 ( 1.751 -4.517 -0.000) 4.844 7.045 ( -4.104 -1.240 0.000) 4.287 7.868 ( 6.193 26.773 0.000) 27.480 7.945 ( -4.472 -3.074 0.000) 5.427 8.638 ( 4.313 1.004 -0.000) 4.428 8.931 ( 2.681 -3.901 -0.000) 4.733 9.233 ( 0.774 -7.120 -0.000) 7.162 9.751 ( -5.058 5.874 0.000) 7.751 9.831 ( 2.342 9.816 0.000) 10.092 10.050 ( 11.582 5.609 -0.000) 12.868 10.346 ( -4.592 16.652 0.000) 17.274 10.983 ( -5.661 -18.284 -0.000) 19.140 11.159 ( -3.264 7.758 0.000) 8.417 11.580 ( 6.568 -10.822 -0.000) 12.659 12.115 ( 4.696 -5.871 -0.000) 7.518 12.569 ( 9.848 1.297 -0.000) 9.933 13.104 ( -5.684 -16.831 -0.000) 17.765 13.686 ( 1.675 7.994 0.000) 8.167 13.768 ( 9.058 -0.290 -0.000) 9.063 14.011 ( -23.398 -5.552 0.000) 24.047 14.712 ( 3.069 -3.943 -0.000) 4.997 14.803 ( -6.285 -3.160 0.000) 7.035 14.942 ( 17.894 7.450 -0.000) 19.383 15.920 ( -11.556 5.367 0.000) 12.742 18.538 ( 12.377 15.187 0.000) 19.592 ======================= Grid point 93 (59/156) ======================= q-point: ( 0.05 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 26.938 -8.763 17.742) 33.425 2.248 ( 5.963 -25.370 21.084) 33.522 3.477 ( 0.481 -21.264 40.411) 45.666 4.167 ( 8.734 6.196 -21.378) 23.910 4.209 ( -7.713 -10.601 -16.518) 21.088 4.856 ( -0.984 -3.312 -5.154) 6.204 5.137 ( -2.630 3.019 13.049) 13.650 5.595 ( 8.080 -8.634 -17.175) 20.852 5.831 ( 6.586 -12.625 -2.122) 14.397 6.433 ( 4.438 -4.520 7.308) 9.671 6.937 ( 4.737 5.997 2.481) 8.035 7.068 ( -5.585 4.292 -4.420) 8.315 7.292 ( 2.893 1.444 7.485) 8.154 7.514 ( -9.311 -3.698 -7.477) 12.501 8.407 ( -6.381 -7.528 2.985) 10.310 8.557 ( -1.130 9.560 -10.350) 14.135 8.779 ( 4.534 1.992 1.683) 5.231 8.896 ( 6.379 -9.020 -9.155) 14.348 9.573 ( -5.866 1.291 -22.907) 23.682 10.362 ( -2.971 -5.385 10.974) 12.580 10.501 ( -18.548 8.846 2.091) 20.655 10.677 ( 15.361 -2.822 7.391) 17.278 10.978 ( -10.228 8.588 6.131) 14.695 11.189 ( 9.084 2.023 -0.489) 9.320 11.554 ( 3.654 8.420 1.446) 9.292 12.379 ( -1.230 4.368 -1.470) 4.770 12.534 ( -2.124 20.093 1.067) 20.233 12.856 ( -8.664 2.868 -1.368) 9.229 13.467 ( 15.808 0.714 -5.042) 16.607 13.702 ( -3.434 0.577 12.227) 12.713 14.384 ( -24.200 5.164 5.910) 25.441 14.678 ( 5.451 -0.020 5.070) 7.444 14.883 ( 4.579 -1.324 9.030) 10.211 15.486 ( 2.732 6.892 2.885) 7.955 16.055 ( -0.727 -11.801 13.034) 17.598 18.153 ( 1.081 -7.623 -27.498) 28.555 ======================= Grid point 94 (60/156) ======================= q-point: ( 0.05 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 2.543 -20.589 9.033) 22.627 3.146 ( 16.380 -8.593 13.386) 22.833 3.718 ( -1.143 -14.980 -19.364) 24.509 3.973 ( 0.115 6.990 2.706) 7.497 4.428 ( 26.271 8.345 -22.620) 35.658 4.953 ( 3.765 -0.771 18.732) 19.122 5.447 ( 3.659 0.802 9.525) 10.235 5.525 ( 4.088 -7.550 -15.676) 17.873 6.287 ( 5.771 -8.368 12.761) 16.315 6.521 ( -12.113 0.940 3.177) 12.558 6.669 ( -10.228 -3.805 -13.344) 17.238 6.945 ( 7.093 1.805 6.935) 10.083 7.293 ( 5.344 6.083 -8.639) 11.840 7.757 ( 3.159 9.869 6.275) 12.114 8.063 ( -11.439 1.018 7.860) 13.916 8.308 ( 0.041 7.331 -6.689) 9.924 8.581 ( -2.288 -4.817 -0.893) 5.407 9.193 ( 6.386 2.400 -7.924) 10.456 9.204 ( 4.321 -1.497 -12.002) 12.843 9.894 ( -2.006 -0.858 0.825) 2.333 10.628 ( -6.767 10.485 13.932) 18.704 10.720 ( 1.568 -4.184 1.314) 4.657 11.283 ( -8.144 13.582 -2.116) 15.978 11.363 ( 1.854 -6.415 7.310) 9.901 11.557 ( 4.915 -5.499 2.683) 7.849 12.376 ( 2.928 -1.319 -6.785) 7.507 12.451 ( -3.642 -6.973 8.913) 11.888 12.910 ( -15.636 -6.707 -2.067) 17.139 13.163 ( -0.319 1.330 -3.762) 4.003 13.434 ( -1.328 0.834 -10.772) 10.885 13.964 ( -0.895 -6.141 5.463) 8.267 14.511 ( -1.563 9.574 -4.234) 10.585 15.330 ( -4.257 4.584 9.618) 11.474 15.793 ( -7.998 -7.102 5.404) 11.984 16.439 ( 14.058 8.644 16.757) 23.519 17.602 ( -3.623 6.728 -20.137) 21.539 ======================= Grid point 95 (61/156) ======================= q-point: ( 0.05 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -4.404 -4.033 -11.862) 13.280 3.138 ( -14.724 -30.881 2.249) 34.285 3.581 ( 7.216 0.562 -15.903) 17.473 4.232 ( 5.013 -1.087 9.809) 11.069 4.986 ( -8.597 -9.273 -3.669) 13.167 5.206 ( 11.681 10.881 -0.434) 15.970 5.311 ( 3.542 1.047 2.389) 4.399 5.646 ( -2.132 11.434 -12.302) 16.930 6.245 ( -2.486 -6.251 9.579) 11.706 6.556 ( 3.804 -8.741 4.325) 10.468 6.662 ( -7.606 -2.057 -7.620) 10.961 6.752 ( 1.567 2.183 14.777) 15.019 7.304 ( 0.163 16.744 -5.561) 17.644 7.722 ( -0.382 10.790 -1.008) 10.844 7.962 ( -3.176 6.527 8.028) 10.823 8.433 ( 11.275 -0.660 -12.371) 16.751 8.854 ( -2.265 -0.668 14.095) 14.291 9.203 ( 10.063 8.696 0.043) 13.300 9.332 ( 5.981 -0.770 -5.460) 8.135 9.897 ( 0.908 4.491 -10.863) 11.790 10.368 ( -18.503 18.802 14.547) 30.125 10.773 ( -10.009 3.044 -2.363) 10.725 11.125 ( 3.873 -25.067 1.646) 25.418 11.376 ( -3.916 -8.367 1.113) 9.305 11.610 ( -8.479 -8.218 1.230) 11.872 11.777 ( 2.800 -2.771 -5.337) 6.633 12.342 ( -3.191 -5.364 -4.123) 7.480 12.966 ( 6.927 -9.553 0.926) 11.836 13.195 ( 9.223 -12.202 12.434) 19.711 13.733 ( 4.019 6.461 -2.973) 8.169 14.145 ( 16.934 -4.838 -7.841) 19.278 14.480 ( 4.545 6.198 -7.014) 10.406 15.000 ( -19.759 -2.896 6.436) 20.982 15.367 ( -14.033 9.733 3.462) 17.426 16.532 ( -12.264 1.123 -9.130) 15.330 17.814 ( 17.792 18.640 6.965) 26.694 ======================= Grid point 96 (62/156) ======================= q-point: ( 0.05 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -24.738 -12.096 0.000) 27.537 1.512 ( -14.822 -40.890 -0.000) 43.493 2.535 ( -48.233 -0.971 0.000) 48.243 4.336 ( 0.380 0.093 -0.000) 0.391 4.603 ( -8.274 7.327 0.000) 11.052 4.878 ( 12.772 2.594 -0.000) 13.032 5.651 ( 0.860 1.120 0.000) 1.412 5.785 ( -7.544 -14.242 -0.000) 16.117 5.905 ( -11.397 -6.767 0.000) 13.255 6.230 ( -0.810 5.459 0.000) 5.519 6.849 ( -8.534 -3.280 0.000) 9.142 6.928 ( 0.994 1.676 0.000) 1.948 7.072 ( 12.424 -3.246 -0.000) 12.841 8.099 ( 12.257 6.305 -0.000) 13.783 8.116 ( -11.433 4.311 0.000) 12.219 8.410 ( -12.665 -5.945 0.000) 13.991 9.011 ( -3.243 -9.825 -0.000) 10.347 9.368 ( 20.549 9.163 -0.000) 22.500 9.662 ( -11.002 3.707 0.000) 11.610 9.948 ( -2.685 0.709 0.000) 2.777 10.307 ( 9.128 -3.195 -0.000) 9.671 10.612 ( 0.759 8.979 0.000) 9.011 10.794 ( 4.800 8.062 0.000) 9.382 11.337 ( 4.309 0.638 -0.000) 4.357 11.488 ( 12.001 -16.709 -0.000) 20.573 12.329 ( 11.554 15.486 0.000) 19.321 12.700 ( -10.270 -5.612 0.000) 11.703 12.823 ( 10.692 0.437 -0.000) 10.701 13.303 ( -21.421 -10.598 0.000) 23.899 13.852 ( 8.581 -3.979 -0.000) 9.459 14.067 ( 4.922 5.515 0.000) 7.392 14.531 ( -1.291 -5.518 -0.000) 5.667 14.707 ( -12.137 3.878 0.000) 12.741 15.350 ( 12.271 3.121 -0.000) 12.662 15.790 ( -7.418 0.785 0.000) 7.460 18.957 ( 6.887 7.420 0.000) 10.123 ======================= Grid point 98 (63/156) ======================= q-point: ( 0.05 0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 4.539 -27.531 20.489) 34.617 2.199 ( 24.534 -5.285 22.501) 33.706 3.524 ( 22.895 -0.496 38.822) 45.072 4.037 ( -2.014 -1.957 -22.276) 22.453 4.497 ( 14.614 2.439 -13.238) 19.869 4.775 ( 1.908 -1.394 -12.766) 12.983 5.146 ( -1.668 1.788 15.358) 15.552 5.594 ( 7.369 -7.452 -17.677) 20.550 5.799 ( 9.193 -5.591 0.857) 10.794 6.516 ( 11.753 -5.814 5.868) 14.366 6.766 ( -15.139 -0.405 1.819) 15.254 7.162 ( -1.313 2.486 -1.096) 3.018 7.238 ( -0.130 -1.648 -3.636) 3.994 7.661 ( 9.376 8.814 0.787) 12.893 8.231 ( -8.194 4.058 7.290) 11.695 8.627 ( -6.506 -0.135 -6.990) 9.550 8.673 ( -2.680 -1.951 -10.505) 11.016 8.953 ( 12.847 -6.279 -7.946) 16.359 9.603 ( -0.078 5.151 -18.548) 19.250 10.186 ( -9.554 3.632 -1.172) 10.288 10.501 ( -5.335 13.052 13.649) 19.624 10.805 ( 0.343 -4.496 14.353) 15.045 10.860 ( 3.188 -2.884 -0.784) 4.369 11.441 ( 2.506 -4.341 -2.948) 5.815 11.581 ( -2.835 -1.851 -1.098) 3.559 12.360 ( -10.536 7.735 9.744) 16.303 12.601 ( -10.786 3.889 -7.763) 13.846 13.009 ( -6.367 -1.234 7.680) 10.052 13.258 ( -10.234 -4.822 3.832) 11.945 13.567 ( 1.925 -5.303 -1.664) 5.882 14.106 ( -16.751 11.269 6.404) 21.180 14.691 ( 3.765 5.717 0.791) 6.891 15.196 ( 7.737 -0.528 6.553) 10.153 15.628 ( -4.000 -6.603 4.834) 9.109 15.935 ( 10.868 2.898 15.665) 19.285 18.123 ( 6.164 -1.144 -27.145) 27.860 ======================= Grid point 99 (64/156) ======================= q-point: ( 0.05 0.55 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 2.996 -22.439 11.705) 25.485 3.182 ( -1.303 -4.224 -6.237) 7.645 3.496 ( 4.432 -6.232 0.147) 7.648 4.168 ( 4.717 4.604 -10.349) 12.270 5.045 ( 4.450 3.980 11.350) 12.824 5.102 ( 16.757 2.784 -8.913) 19.183 5.350 ( -0.743 -5.047 -20.624) 21.245 5.688 ( 12.392 0.987 12.008) 17.283 6.184 ( 4.858 -10.794 6.040) 13.289 6.369 ( -7.681 6.414 8.569) 13.175 6.500 ( -5.839 4.745 -5.969) 9.604 6.982 ( -8.046 -0.978 2.533) 8.492 7.559 ( 4.741 2.832 -2.856) 6.217 7.900 ( -5.780 12.107 -2.895) 13.725 8.121 ( 11.734 -1.486 14.802) 18.947 8.290 ( -1.243 7.535 -7.220) 10.509 8.745 ( 7.149 3.886 -0.682) 8.165 9.242 ( 6.202 -5.887 -12.670) 15.286 9.350 ( 1.689 3.882 -6.107) 7.431 9.954 ( 4.358 5.799 4.910) 8.759 10.557 ( -9.123 -0.168 4.417) 10.138 10.794 ( 1.502 5.822 6.964) 9.200 11.150 ( -3.775 -11.733 -1.864) 12.466 11.192 ( -19.363 -9.049 2.149) 21.481 11.498 ( 0.637 10.381 3.987) 11.138 12.105 ( -10.649 -6.313 -6.144) 13.820 12.276 ( 8.779 -21.800 8.316) 24.929 12.470 ( -9.468 -3.155 -1.934) 10.165 12.977 ( -5.260 2.717 -4.039) 7.166 13.712 ( -6.958 -8.025 5.816) 12.109 13.959 ( 17.423 12.365 -6.731) 22.399 14.796 ( 1.287 9.569 -4.943) 10.846 15.163 ( -10.654 -2.139 5.430) 12.148 15.528 ( -5.973 -1.105 6.573) 8.950 16.747 ( 5.058 0.058 4.025) 6.465 17.804 ( 4.846 9.491 -7.767) 13.187 ======================= Grid point 100 (65/156) ======================= q-point: ( 0.05 -0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -14.951 -34.032 -1.659) 37.209 2.451 ( -12.177 -2.994 -20.128) 23.715 3.708 ( -1.265 3.887 -14.039) 14.622 4.219 ( 2.201 -4.375 12.575) 13.495 4.776 ( -2.952 0.277 -11.675) 12.046 5.335 ( -25.913 16.252 7.007) 31.380 5.344 ( -2.201 3.797 15.756) 16.356 5.978 ( 9.012 4.279 -8.216) 12.924 6.044 ( 1.291 -4.475 -1.093) 4.784 6.357 ( -4.336 -11.231 -0.017) 12.039 6.551 ( 8.301 -8.292 -6.944) 13.633 6.921 ( 1.895 6.131 13.638) 15.072 7.379 ( -9.976 5.414 -7.304) 13.498 7.765 ( -1.555 -1.410 11.210) 11.405 8.437 ( 0.460 8.383 -14.082) 16.395 8.515 ( 6.824 14.774 2.212) 16.423 8.795 ( -2.242 -2.348 13.427) 13.814 9.269 ( 0.103 -4.566 -5.832) 7.408 9.613 ( 7.889 4.502 4.563) 10.165 10.091 ( 2.978 4.662 -11.987) 13.202 10.248 ( -7.702 4.797 0.918) 9.120 10.630 ( 0.632 -13.133 0.446) 13.156 10.805 ( -6.374 8.768 2.258) 11.073 11.128 ( 0.589 -15.374 -1.337) 15.443 11.432 ( -3.980 2.146 -1.293) 4.703 11.848 ( 6.855 2.219 -2.201) 7.534 12.288 ( 8.375 -5.456 2.008) 10.195 12.990 ( 2.836 0.445 -2.400) 3.742 13.076 ( 12.666 -19.628 13.146) 26.805 13.662 ( 4.330 -14.692 -3.959) 15.820 14.398 ( -9.572 4.090 -1.098) 10.467 14.597 ( 3.792 9.019 1.969) 9.980 14.866 ( -0.517 9.460 -2.765) 9.870 15.321 ( -8.494 6.841 -1.789) 11.052 16.276 ( -11.475 -2.850 -12.424) 17.151 18.400 ( 12.711 8.485 11.658) 19.222 ======================= Grid point 101 (66/156) ======================= q-point: ( 0.10 -0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -19.374 -12.890 0.000) 23.270 1.220 ( -28.409 -0.224 0.000) 28.410 2.581 ( -53.945 3.682 0.000) 54.071 4.372 ( -0.224 2.252 0.000) 2.263 4.845 ( -14.730 8.380 0.000) 16.947 4.883 ( 17.529 -1.586 -0.000) 17.601 5.534 ( -6.952 -3.792 0.000) 7.919 5.717 ( -1.662 3.881 0.000) 4.221 5.797 ( -7.331 -2.940 0.000) 7.899 6.289 ( -9.806 0.935 0.000) 9.851 6.785 ( 15.092 -9.600 -0.000) 17.887 6.844 ( -11.843 1.960 0.000) 12.004 7.180 ( 11.273 7.751 -0.000) 13.681 8.081 ( -17.019 -5.931 0.000) 18.023 8.098 ( 15.289 -5.238 -0.000) 16.161 8.356 ( -11.067 0.526 0.000) 11.080 9.007 ( -4.162 9.798 0.000) 10.645 9.571 ( 12.831 9.539 -0.000) 15.988 9.598 ( -8.273 -10.229 -0.000) 13.155 9.888 ( -1.344 -5.541 -0.000) 5.702 10.309 ( 5.016 4.512 -0.000) 6.747 10.717 ( -4.205 4.327 0.000) 6.034 11.008 ( 14.828 -24.050 -0.000) 28.254 11.148 ( 14.544 17.647 0.000) 22.869 11.413 ( -1.511 8.583 0.000) 8.715 12.574 ( 19.509 -8.904 -0.000) 21.445 12.706 ( 13.090 -0.458 -0.000) 13.098 12.739 ( -11.133 7.129 0.000) 13.221 13.122 ( -21.035 -6.118 0.000) 21.906 13.547 ( 17.606 -12.095 -0.000) 21.360 14.152 ( 1.468 2.041 0.000) 2.515 14.685 ( -11.451 3.345 0.000) 11.930 14.782 ( -12.523 10.303 0.000) 16.216 15.418 ( 10.262 3.873 -0.000) 10.968 15.744 ( -4.552 -5.255 -0.000) 6.953 19.016 ( 7.008 -1.833 -0.000) 7.244 ======================= Grid point 102 (67/156) ======================= q-point: ( 0.10 0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.000 -0.000 32.544) 32.544 0.654 ( -0.000 -0.000 32.544) 32.544 1.448 ( -0.000 -0.000 71.711) 71.711 4.411 ( 0.000 0.000 -10.251) 10.251 4.411 ( 0.000 0.000 -10.251) 10.251 4.577 ( -0.000 -0.000 12.961) 12.961 5.478 ( 0.000 0.000 -0.264) 0.264 5.576 ( 0.000 0.000 -9.179) 9.179 5.576 ( 0.000 0.000 -9.179) 9.179 5.998 ( -0.000 -0.000 3.668) 3.668 6.778 ( -0.000 -0.000 14.326) 14.326 7.282 ( -0.000 -0.000 1.115) 1.115 7.452 ( 0.000 0.000 -9.985) 9.985 7.452 ( 0.000 0.000 -9.985) 9.985 8.568 ( 0.000 0.000 -5.382) 5.382 8.703 ( 0.000 0.000 -7.448) 7.448 8.703 ( 0.000 0.000 -7.448) 7.448 9.370 ( 0.000 0.000 -6.071) 6.071 10.000 ( -0.000 -0.000 12.886) 12.886 10.000 ( -0.000 -0.000 12.886) 12.886 10.221 ( 0.000 0.000 -19.930) 19.930 11.278 ( 0.000 0.000 -8.839) 8.839 11.278 ( 0.000 0.000 -8.839) 8.839 11.332 ( 0.000 0.000 -6.922) 6.922 11.754 ( -0.000 -0.000 1.592) 1.592 12.500 ( -0.000 -0.000 11.063) 11.063 12.500 ( -0.000 -0.000 11.063) 11.063 13.078 ( -0.000 -0.000 6.978) 6.978 13.736 ( 0.000 0.000 -16.517) 16.517 14.343 ( -0.000 -0.000 0.284) 0.284 14.471 ( -0.000 -0.000 5.141) 5.141 14.471 ( -0.000 -0.000 5.141) 5.141 14.595 ( -0.000 -0.000 21.272) 21.272 15.634 ( -0.000 -0.000 0.256) 0.256 15.634 ( -0.000 -0.000 0.256) 0.256 17.399 ( 0.000 0.000 -4.701) 4.701 ======================= Grid point 103 (68/156) ======================= q-point: ( 0.10 0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 7.243 2.092 23.855) 25.018 2.167 ( 24.388 1.696 24.336) 34.494 3.502 ( 28.155 -1.855 41.604) 50.269 4.048 ( -4.883 3.100 -23.687) 24.383 4.407 ( 15.010 -9.832 -19.313) 26.363 4.823 ( 1.068 4.027 0.739) 4.231 5.173 ( -3.069 0.162 9.650) 10.127 5.501 ( 8.492 -0.385 -17.918) 19.833 5.754 ( 10.380 0.825 -1.622) 10.538 6.407 ( 8.467 -2.561 3.955) 9.690 6.827 ( -8.871 4.992 3.525) 10.772 7.169 ( -9.135 -2.962 -6.035) 11.342 7.234 ( 3.463 2.037 8.611) 9.503 7.684 ( 9.502 -5.726 -4.654) 12.030 8.381 ( 2.063 8.052 2.505) 8.681 8.597 ( -12.773 -1.461 -7.502) 14.885 8.682 ( 1.130 2.136 -2.119) 3.214 8.852 ( 9.872 -2.315 -10.310) 14.461 9.657 ( -0.113 -0.806 -23.797) 23.811 10.325 ( -1.940 9.642 8.389) 12.927 10.566 ( 4.554 -7.404 10.746) 13.822 10.790 ( -6.533 -7.491 1.158) 10.007 10.879 ( -3.560 14.195 -0.049) 14.635 11.258 ( -0.825 -11.301 1.268) 11.401 11.511 ( -10.166 -1.643 4.802) 11.363 12.371 ( -6.079 -1.674 -6.784) 9.262 12.739 ( -28.157 -10.913 8.028) 31.247 12.942 ( 5.077 8.820 4.982) 11.331 13.198 ( -13.932 0.683 -6.840) 15.536 13.643 ( 0.873 8.552 13.271) 15.812 14.335 ( -15.843 12.618 7.367) 21.552 14.766 ( 6.723 -1.196 4.673) 8.274 15.047 ( 3.459 -14.739 7.602) 16.941 15.486 ( -3.543 -3.834 0.141) 5.222 16.017 ( 12.975 3.904 13.862) 19.384 18.120 ( 12.302 1.206 -28.424) 30.996 ======================= Grid point 104 (69/156) ======================= q-point: ( 0.10 0.50 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 0.458 -1.036 8.746) 8.819 3.155 ( -1.699 1.014 -11.251) 11.424 3.413 ( 5.553 -2.176 4.489) 7.464 4.206 ( 4.054 -0.776 -12.057) 12.744 4.951 ( 19.417 -9.089 -12.659) 24.898 5.211 ( -7.157 5.947 19.892) 21.961 5.384 ( 9.720 5.611 -17.605) 20.878 5.666 ( 12.191 -2.504 10.169) 16.072 6.022 ( 3.961 -3.725 -1.017) 5.531 6.488 ( -9.534 3.335 6.392) 11.953 6.635 ( 0.119 8.512 3.293) 9.127 6.934 ( -8.763 -3.468 4.768) 10.561 7.511 ( 7.576 -5.334 -2.437) 9.581 7.957 ( 6.752 -8.884 15.408) 19.024 8.146 ( -4.120 7.039 -9.460) 12.490 8.590 ( 6.113 18.443 -0.644) 19.440 8.761 ( 0.986 -3.387 -0.010) 3.527 9.105 ( 7.166 -4.935 -10.001) 13.257 9.370 ( 4.992 -2.841 -11.068) 12.470 10.192 ( -0.923 16.976 6.648) 18.255 10.521 ( -7.406 -4.396 -1.699) 8.779 10.797 ( -6.807 -9.880 2.379) 12.232 10.918 ( -7.588 -10.797 4.474) 13.935 11.085 ( -5.571 8.317 5.328) 11.340 11.560 ( 8.250 -14.288 -5.123) 17.276 11.949 ( -1.825 -2.255 -10.750) 11.135 12.001 ( -4.276 -4.416 4.125) 7.402 12.493 ( -15.292 6.480 2.606) 16.812 13.181 ( 0.613 13.502 3.144) 13.877 13.557 ( -13.977 -4.656 4.941) 15.539 14.210 ( 12.018 11.848 -3.178) 17.173 14.920 ( -10.744 0.162 7.029) 12.841 15.095 ( 2.991 -3.019 1.500) 4.507 15.459 ( -1.631 -5.718 2.043) 6.287 16.720 ( 3.986 -2.282 -1.128) 4.729 17.918 ( 5.273 1.583 -6.108) 8.223 ======================= Grid point 105 (70/156) ======================= q-point: ( 0.10 -0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -15.721 -10.652 -6.136) 19.957 2.413 ( -14.276 -0.640 -21.681) 25.967 3.751 ( 0.486 -0.160 -13.643) 13.652 4.163 ( 3.621 -0.341 13.489) 13.971 4.851 ( -4.258 6.189 -13.824) 15.733 5.329 ( -6.359 -4.568 19.328) 20.854 5.709 ( -19.231 16.151 13.151) 28.348 5.941 ( 3.958 -1.110 -0.821) 4.192 6.049 ( -3.321 -3.325 0.736) 4.757 6.201 ( 1.664 -1.816 -7.074) 7.490 6.394 ( 6.446 -5.213 -13.016) 15.432 7.040 ( -1.702 5.589 12.731) 14.008 7.491 ( -8.856 5.869 -6.131) 12.266 7.748 ( -4.239 -0.248 5.638) 7.059 8.291 ( -1.558 -10.630 -11.752) 15.923 8.725 ( -1.067 -3.775 13.612) 14.166 8.985 ( 5.018 14.630 9.066) 17.928 9.188 ( 4.497 -0.936 -3.029) 5.502 9.629 ( 4.191 -2.408 1.267) 4.997 10.072 ( -2.638 -8.851 -6.415) 11.245 10.188 ( 0.921 -5.546 -2.621) 6.202 10.503 ( 1.944 -3.111 -12.997) 13.505 10.907 ( 2.478 5.048 4.397) 7.139 11.087 ( -8.124 10.795 3.670) 14.000 11.512 ( 0.216 6.802 -8.212) 10.666 11.852 ( 10.949 -12.890 1.154) 16.951 12.207 ( 5.083 2.278 -1.005) 5.660 12.667 ( 17.461 -10.571 8.273) 22.024 13.129 ( -5.684 7.298 -0.188) 9.252 13.431 ( 4.178 -5.256 -0.975) 6.785 14.455 ( -14.673 1.000 5.612) 15.741 14.791 ( 11.197 7.406 5.058) 14.347 15.054 ( -5.842 8.204 -0.945) 10.116 15.378 ( -3.421 -0.644 -4.042) 5.334 16.165 ( -10.418 -7.574 -17.630) 21.834 18.474 ( 11.287 -1.176 12.165) 16.636 ======================= Grid point 112 (71/156) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 16.088 15.341 19.511) 29.578 2.199 ( 31.117 15.183 9.240) 35.835 2.986 ( 11.916 19.754 21.154) 31.300 4.443 ( -3.965 8.166 -0.784) 9.112 4.468 ( 4.197 0.741 -10.748) 11.562 4.845 ( -2.483 -1.807 7.096) 7.732 5.328 ( 0.716 9.315 -26.640) 28.231 5.956 ( 9.877 -0.127 -1.470) 9.986 6.005 ( 7.774 6.621 -5.117) 11.422 6.270 ( -3.927 0.185 11.853) 12.488 6.883 ( 5.386 -6.453 0.577) 8.425 7.073 ( 3.948 10.654 5.593) 12.664 7.244 ( -10.776 2.501 5.914) 12.544 7.671 ( -1.372 -4.425 -16.472) 17.111 8.048 ( 0.360 -14.836 4.341) 15.462 8.627 ( 0.676 1.716 4.844) 5.183 8.961 ( -5.538 4.313 -14.171) 15.814 9.206 ( 3.055 4.210 -8.167) 9.683 9.657 ( -4.482 -4.808 1.368) 6.714 9.979 ( -4.954 -10.398 11.039) 15.954 10.278 ( 2.264 -12.256 -3.367) 12.910 10.459 ( -8.017 -2.629 13.679) 16.072 10.905 ( 2.878 11.397 1.674) 11.874 11.273 ( -14.235 -4.574 1.187) 14.999 11.653 ( 0.720 1.951 -0.982) 2.299 12.149 ( 3.617 -5.437 4.374) 7.860 12.729 ( -5.282 -6.294 -2.275) 8.526 12.903 ( 1.811 15.157 -4.492) 15.912 13.490 ( 17.993 -2.057 -1.234) 18.152 13.714 ( 6.679 -1.086 2.586) 7.244 13.925 ( -7.412 -7.328 -3.945) 11.145 14.602 ( 0.941 -3.968 0.501) 4.109 14.984 ( -7.294 16.106 6.221) 18.744 15.397 ( -12.687 2.466 9.720) 16.172 15.776 ( 9.524 -6.771 6.884) 13.562 18.564 ( -5.970 -8.803 -17.437) 20.425 ======================= Grid point 113 (72/156) ======================= q-point: ( 0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 7.634 31.552 -1.518) 32.498 2.931 ( 7.312 1.521 20.628) 21.938 3.786 ( 0.550 2.562 -4.541) 5.242 4.246 ( -1.771 4.198 0.124) 4.558 4.848 ( 21.242 -7.821 -6.863) 23.654 4.897 ( -0.526 -0.540 -2.552) 2.661 5.265 ( 12.927 -0.994 10.728) 16.828 6.007 ( 1.701 5.411 -15.402) 16.414 6.185 ( -10.981 -5.719 18.679) 22.410 6.434 ( 5.592 6.303 -7.447) 11.245 6.634 ( -11.702 -3.591 -2.529) 12.499 6.842 ( -4.362 5.687 5.342) 8.939 7.375 ( -0.234 -7.635 6.740) 10.187 7.546 ( 3.349 1.996 -13.545) 14.095 7.959 ( -1.618 -19.013 6.564) 20.180 8.496 ( 6.280 -3.127 -9.303) 11.651 8.933 ( -7.518 2.915 11.195) 13.797 9.259 ( -7.007 -12.496 -12.146) 18.782 9.398 ( 11.394 1.337 -5.125) 12.565 9.963 ( -2.404 -15.873 4.736) 16.738 10.141 ( -7.636 -9.568 4.455) 13.027 10.641 ( 7.009 1.929 5.346) 9.023 11.091 ( -0.290 19.812 -0.335) 19.817 11.339 ( 7.468 -0.249 -1.534) 7.628 11.571 ( -3.644 16.729 5.000) 17.837 11.891 ( -6.528 2.693 -2.620) 7.532 12.364 ( -2.947 6.498 -3.090) 7.775 12.911 ( 5.130 4.947 -9.817) 12.131 13.187 ( -15.213 10.853 -2.928) 18.916 13.956 ( -1.700 -8.635 7.501) 11.564 14.387 ( 18.285 8.117 -4.081) 20.417 14.693 ( 0.732 -12.692 3.901) 13.298 14.756 ( -13.961 13.439 8.015) 20.970 15.155 ( -1.848 -9.087 3.495) 9.909 16.473 ( 12.968 -6.836 9.548) 17.494 17.886 ( -10.365 -14.336 -14.366) 22.789 ======================= Grid point 114 (73/156) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -6.971 26.533 -9.756) 29.116 3.052 ( -9.871 10.825 -22.100) 26.515 3.725 ( 4.761 -2.998 -1.801) 5.908 4.237 ( -0.746 5.772 5.975) 8.341 4.773 ( -8.218 -3.941 1.778) 9.286 5.305 ( -8.844 -1.730 -13.994) 16.644 5.447 ( -21.667 -7.484 23.799) 33.044 5.792 ( 14.283 4.130 8.177) 16.969 6.112 ( -1.454 -1.184 -4.929) 5.274 6.268 ( 1.897 3.349 -7.832) 8.726 6.606 ( 6.582 0.931 0.958) 6.716 7.037 ( -1.197 5.449 10.922) 12.264 7.429 ( 3.301 -14.849 5.008) 16.015 7.700 ( 6.176 -6.765 -3.936) 9.970 8.020 ( -18.738 4.274 -4.026) 19.636 8.445 ( 11.250 -1.002 15.948) 19.543 8.599 ( -6.316 -10.525 -0.951) 12.311 9.282 ( 7.458 -6.760 2.864) 10.465 9.497 ( -7.254 -2.534 6.115) 9.820 9.833 ( -1.862 1.922 -8.653) 9.057 10.157 ( 8.050 -12.659 -9.768) 17.901 10.644 ( -1.350 -4.095 -9.494) 10.427 10.959 ( 5.357 0.189 -8.576) 10.113 11.421 ( -3.962 7.431 2.942) 8.921 11.611 ( 2.747 13.198 2.045) 13.635 12.241 ( 8.497 8.124 -2.411) 12.000 12.319 ( 4.405 5.024 -10.859) 12.750 12.782 ( 2.778 9.625 10.711) 14.666 13.185 ( 10.236 12.762 2.538) 16.555 13.806 ( -12.241 -9.653 10.489) 18.790 14.100 ( -17.029 17.504 6.530) 25.279 14.716 ( -7.385 -12.813 5.991) 15.956 14.995 ( 10.940 -10.008 -5.359) 15.766 15.392 ( 14.864 4.658 -8.157) 17.583 16.374 ( -13.711 -7.519 -20.381) 25.689 17.839 ( 8.742 -13.910 15.195) 22.378 ======================= Grid point 116 (74/156) ======================= q-point: ( 0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 32.860 11.689 -0.000) 34.877 1.807 ( 5.925 20.932 0.000) 21.755 3.368 ( -3.915 21.438 0.000) 21.792 4.551 ( 2.890 10.935 0.000) 11.311 4.586 ( 2.662 -10.350 -0.000) 10.687 5.102 ( -12.220 20.546 0.000) 23.906 5.769 ( -2.519 -1.264 0.000) 2.818 5.856 ( 2.647 3.503 0.000) 4.390 6.056 ( 21.677 16.258 -0.000) 27.097 6.213 ( -12.865 -3.847 0.000) 13.428 6.495 ( 8.027 -15.033 -0.000) 17.042 7.078 ( 0.960 -1.306 -0.000) 1.621 7.250 ( 5.058 19.355 0.000) 20.005 7.803 ( -0.015 -7.745 -0.000) 7.745 8.087 ( -11.080 -0.976 0.000) 11.122 8.609 ( -2.069 10.183 0.000) 10.391 9.206 ( 6.492 -2.054 -0.000) 6.809 9.540 ( -6.315 4.758 0.000) 7.907 9.560 ( 6.520 -4.858 -0.000) 8.131 9.731 ( -11.252 -0.546 0.000) 11.265 10.103 ( -18.678 -18.939 -0.000) 26.600 10.344 ( 4.382 -2.782 -0.000) 5.191 11.045 ( 8.364 13.880 0.000) 16.205 11.375 ( 18.147 -5.256 -0.000) 18.893 11.578 ( -30.779 -11.315 0.000) 32.793 11.700 ( 11.089 -8.343 -0.000) 13.878 12.558 ( 4.950 -13.418 -0.000) 14.302 13.062 ( 3.191 6.776 0.000) 7.490 13.135 ( 8.053 -19.456 -0.000) 21.057 13.445 ( 12.083 10.180 -0.000) 15.799 14.261 ( -3.233 12.687 0.000) 13.093 14.794 ( -12.692 9.463 0.000) 15.831 15.252 ( 9.822 11.961 0.000) 15.477 15.286 ( 5.747 -12.622 -0.000) 13.869 15.606 ( -13.887 0.696 0.000) 13.905 18.718 ( -9.529 -10.868 -0.000) 14.454 ======================= Grid point 117 (75/156) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 10.045 8.121 19.095) 23.054 3.059 ( 23.465 12.913 5.764) 27.397 3.366 ( 7.082 2.899 12.398) 14.570 4.513 ( -1.490 7.305 1.420) 7.589 4.687 ( 3.716 7.626 -15.488) 17.659 4.939 ( 8.009 3.172 6.359) 10.707 5.476 ( -6.762 13.532 -22.756) 27.325 5.771 ( -6.987 -8.794 17.904) 21.135 6.257 ( 11.946 -3.732 -1.744) 12.636 6.421 ( 1.621 5.304 -7.302) 9.169 6.700 ( -0.748 -13.981 -0.028) 14.001 7.141 ( -14.616 6.490 -0.634) 16.004 7.250 ( -1.918 4.430 2.741) 5.551 7.478 ( -8.988 -11.940 8.486) 17.186 7.942 ( 9.387 8.177 -10.162) 16.070 8.511 ( -3.837 -4.270 -6.939) 9.006 9.060 ( 2.278 0.293 -4.710) 5.240 9.224 ( -4.967 -0.553 -3.193) 5.931 9.448 ( -4.832 -8.109 -8.644) 12.800 9.687 ( -3.938 -9.843 3.717) 11.235 10.017 ( -9.028 -5.513 8.647) 13.662 10.282 ( 2.752 -5.062 15.975) 16.982 11.012 ( 8.709 -0.428 -0.808) 8.757 11.395 ( 7.893 14.303 1.570) 16.412 11.760 ( 2.150 6.364 1.144) 6.814 12.230 ( -0.763 1.701 4.205) 4.600 12.498 ( -0.396 -4.621 -1.416) 4.850 13.268 ( 4.850 10.257 -9.166) 14.586 13.474 ( 3.070 -10.671 -5.767) 12.513 13.749 ( -7.710 5.945 -4.074) 10.554 14.277 ( 22.016 16.333 -1.666) 27.464 14.419 ( -2.001 -10.944 0.022) 11.126 14.799 ( -16.247 -9.772 4.715) 19.537 15.400 ( -12.116 21.316 12.435) 27.492 15.812 ( 13.450 -12.171 7.061) 19.465 18.090 ( -14.572 -16.820 -10.350) 24.543 ======================= Grid point 118 (76/156) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( -0.312 4.952 11.176) 12.228 3.445 ( 6.665 4.194 0.043) 7.875 3.920 ( -0.657 10.059 -5.112) 11.303 4.269 ( -7.354 14.532 4.551) 16.910 4.860 ( -0.048 -4.531 -6.658) 8.054 5.125 ( 17.199 -8.240 1.708) 19.147 5.360 ( -9.366 1.917 9.100) 13.198 5.756 ( -9.977 0.339 -1.836) 10.151 6.237 ( 5.375 0.890 4.934) 7.350 6.358 ( -4.399 -3.380 -6.426) 8.489 6.547 ( 5.598 -3.968 -10.125) 12.231 6.833 ( -0.223 -3.059 6.506) 7.193 7.198 ( -2.638 2.490 6.157) 7.146 7.636 ( 1.126 0.032 -7.158) 7.247 7.882 ( 7.178 -0.760 10.961) 13.125 8.469 ( -8.860 -0.294 -11.606) 14.605 8.664 ( -7.331 -8.015 0.091) 10.862 8.910 ( -0.300 -9.271 1.570) 9.408 9.397 ( -4.442 -8.465 3.753) 10.270 9.621 ( 13.123 -22.282 -13.626) 29.230 10.136 ( 0.221 7.539 9.441) 12.084 10.742 ( 2.998 -2.542 -1.227) 4.117 11.408 ( 1.050 10.885 -7.391) 13.199 11.588 ( 3.920 3.302 3.282) 6.086 11.741 ( -14.252 12.112 -4.905) 19.335 11.992 ( 13.109 13.294 4.488) 19.202 12.605 ( 7.314 12.923 1.852) 14.964 13.081 ( -12.077 7.976 -4.742) 15.230 13.231 ( 2.661 10.855 0.294) 11.180 13.578 ( -7.717 -14.444 3.976) 16.852 14.299 ( -6.285 -18.808 11.948) 23.152 14.664 ( 6.680 -13.133 -6.042) 15.925 14.889 ( -15.272 24.762 3.763) 29.335 15.284 ( 21.629 9.983 -3.937) 24.145 16.542 ( 8.687 -9.871 0.749) 13.171 17.271 ( -10.876 -22.217 -3.177) 24.939 ======================= Grid point 119 (77/156) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -6.611 11.951 -15.943) 20.993 3.201 ( -15.863 14.969 -7.314) 23.004 3.649 ( 0.476 3.664 -13.534) 14.029 4.371 ( -4.489 9.211 14.879) 18.066 4.621 ( -11.553 1.801 -5.464) 12.906 4.920 ( -4.656 -3.902 21.519) 22.360 5.144 ( -6.756 2.968 -9.877) 12.329 6.005 ( -1.034 4.475 7.634) 8.909 6.257 ( 0.108 4.074 -7.066) 8.158 6.281 ( 11.381 -5.501 -1.046) 12.684 6.731 ( 3.835 -2.168 -1.805) 4.761 7.083 ( -1.913 -7.853 4.529) 9.265 7.283 ( 3.816 2.107 0.284) 4.368 7.606 ( -6.021 -2.597 1.790) 6.797 7.811 ( -0.661 -3.136 -4.261) 5.332 8.336 ( 3.100 -3.198 8.782) 9.847 8.866 ( 15.543 6.967 11.711) 20.671 9.206 ( -3.918 -5.922 0.867) 7.153 9.310 ( 3.401 -5.431 6.335) 9.011 9.865 ( 4.439 -3.413 -11.923) 13.172 10.121 ( 9.724 -9.679 -3.211) 14.091 10.573 ( -1.142 1.398 -13.236) 13.359 11.122 ( 2.685 7.371 -9.202) 12.092 11.377 ( -11.213 3.929 2.076) 12.062 11.750 ( -6.106 5.289 2.489) 8.452 12.302 ( -6.327 -8.330 -1.531) 10.572 12.474 ( 1.505 1.156 0.491) 1.960 13.050 ( -15.606 -2.039 10.603) 18.977 13.390 ( 21.789 12.654 2.555) 25.326 13.632 ( -5.071 -2.957 7.377) 9.428 14.242 ( -13.522 20.170 1.867) 24.355 14.380 ( 10.226 -5.975 2.469) 12.098 14.961 ( 9.204 -11.587 -10.067) 17.897 15.664 ( -17.280 -11.962 -12.521) 24.464 16.011 ( 9.172 8.692 -12.273) 17.615 17.810 ( 13.922 -11.632 16.721) 24.672 ======================= Grid point 121 (78/156) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 4.515 11.976 0.000) 12.799 2.401 ( 38.193 8.842 -0.000) 39.203 3.445 ( -6.898 1.532 0.000) 7.066 4.583 ( 9.923 -5.800 -0.000) 11.494 4.755 ( -3.006 9.191 0.000) 9.670 5.374 ( -3.150 21.097 0.000) 21.331 5.463 ( -12.916 -8.691 0.000) 15.568 5.949 ( 6.520 -2.413 -0.000) 6.952 6.112 ( -2.866 4.275 0.000) 5.147 6.145 ( 2.560 -23.130 -0.000) 23.271 6.780 ( 8.150 17.769 0.000) 19.549 7.191 ( 1.051 5.414 0.000) 5.515 7.555 ( -11.076 11.441 0.000) 15.924 7.723 ( -18.350 -2.874 0.000) 18.574 7.933 ( 14.344 5.427 -0.000) 15.336 8.445 ( -7.888 -11.691 -0.000) 14.103 9.175 ( -2.206 -4.925 -0.000) 5.396 9.365 ( -8.028 -12.455 -0.000) 14.818 9.523 ( 1.683 -1.975 -0.000) 2.595 9.608 ( 1.070 -5.406 -0.000) 5.511 9.801 ( -6.267 14.385 0.000) 15.691 10.280 ( -13.092 1.957 0.000) 13.237 10.890 ( -0.935 -5.185 -0.000) 5.269 11.468 ( 6.404 9.942 0.000) 11.826 11.660 ( 14.502 1.532 -0.000) 14.583 11.915 ( 16.338 -5.009 -0.000) 17.088 12.281 ( -2.392 -14.890 -0.000) 15.081 13.131 ( 20.371 -12.312 -0.000) 23.802 13.135 ( 3.175 -2.915 -0.000) 4.310 14.105 ( 21.836 16.073 -0.000) 27.114 14.425 ( -5.550 10.380 0.000) 11.771 14.572 ( -23.920 6.198 0.000) 24.710 15.148 ( 0.787 -6.523 -0.000) 6.571 15.257 ( -14.460 -3.762 0.000) 14.941 15.639 ( 5.229 10.995 0.000) 12.175 18.202 ( -16.530 -14.237 0.000) 21.816 ======================= Grid point 122 (79/156) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 6.892 6.608 16.522) 19.083 3.257 ( -4.942 -4.055 9.409) 11.375 3.822 ( 22.626 6.345 5.478) 24.129 4.643 ( 0.014 6.094 1.762) 6.343 4.868 ( -4.132 -2.143 -8.399) 9.602 4.910 ( -0.579 -5.680 -1.694) 5.956 5.624 ( -4.984 8.336 14.600) 17.535 5.796 ( 4.276 18.947 -11.153) 22.398 6.109 ( 1.261 -21.582 -8.827) 23.352 6.342 ( 4.722 -4.373 -4.344) 7.764 6.645 ( -2.588 -0.014 1.408) 2.946 6.824 ( -17.246 -0.988 -2.592) 17.468 7.188 ( -2.396 6.053 3.473) 7.378 7.419 ( 1.375 -0.877 10.207) 10.337 8.227 ( -2.449 10.109 -6.662) 12.352 8.398 ( 5.537 -9.108 -2.580) 10.967 8.857 ( -1.993 -10.744 -14.014) 17.771 9.046 ( -14.652 1.201 -2.347) 14.887 9.254 ( -1.687 -4.401 -7.982) 9.270 9.402 ( -0.720 -9.872 -10.879) 14.708 10.003 ( -1.617 9.466 17.574) 20.026 10.247 ( 6.309 -8.976 21.024) 23.714 11.418 ( 14.249 9.709 -7.894) 18.964 11.784 ( 10.941 7.081 0.661) 13.049 11.904 ( 0.743 -0.091 -5.280) 5.333 12.267 ( 5.465 7.269 7.051) 11.508 12.625 ( 6.773 7.727 3.231) 10.771 13.217 ( -5.605 -8.904 -0.132) 10.522 13.434 ( -8.225 5.364 -7.580) 12.405 13.810 ( 1.777 0.577 -2.760) 3.333 14.092 ( -23.586 0.731 -3.967) 23.929 14.135 ( -0.233 -23.474 6.880) 24.463 15.194 ( 22.990 21.503 -2.590) 31.585 15.580 ( -11.898 19.101 7.585) 23.747 15.861 ( 19.142 -13.043 5.431) 23.791 17.333 ( -21.824 -21.257 -6.693) 31.192 ======================= Grid point 123 (80/156) ======================= q-point: ( 0.10 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 2.156 5.980 2.764) 6.931 3.368 ( -2.135 -8.000 10.421) 13.310 4.050 ( -7.758 8.192 -6.170) 12.860 4.473 ( -12.232 -4.054 13.092) 18.370 4.608 ( -3.478 12.536 4.494) 13.764 5.086 ( 0.246 -1.554 -12.495) 12.593 5.421 ( 4.262 4.196 6.095) 8.539 5.755 ( -6.974 7.985 -1.537) 10.713 6.208 ( 4.487 -5.714 1.482) 7.415 6.321 ( 6.754 -1.729 -12.452) 14.271 6.592 ( 0.027 -10.175 -0.377) 10.182 6.837 ( 14.708 -4.938 -2.309) 15.686 7.328 ( -1.348 9.654 3.567) 10.380 7.535 ( -5.059 -5.935 4.722) 9.117 7.949 ( -4.334 4.807 0.384) 6.484 8.320 ( -7.077 5.649 -0.945) 9.105 8.534 ( 6.466 -2.001 -5.209) 8.541 8.912 ( 8.939 -1.020 6.883) 11.328 9.131 ( 0.027 -9.737 -4.464) 10.712 9.526 ( 17.251 -18.650 -12.372) 28.257 10.247 ( -6.021 7.845 9.973) 14.045 10.712 ( 2.628 -5.495 0.243) 6.096 11.511 ( -3.549 -3.555 -4.475) 6.728 11.593 ( 2.936 3.425 -8.355) 9.496 11.790 ( -13.074 14.861 4.416) 20.280 12.355 ( -9.176 3.298 2.926) 10.180 12.785 ( -18.138 0.971 -3.192) 18.443 13.059 ( -0.084 7.242 9.970) 12.323 13.309 ( 7.415 14.527 0.677) 16.324 13.539 ( -3.013 -3.660 5.828) 7.512 13.879 ( 13.295 -11.790 2.906) 18.006 14.584 ( 15.965 -16.831 -11.397) 25.847 15.019 ( -16.932 23.269 3.915) 29.043 15.897 ( 0.429 0.070 -3.566) 3.592 16.206 ( -5.901 -7.129 -9.447) 13.225 16.942 ( 18.412 -13.219 9.244) 24.478 ======================= Grid point 126 (81/156) ======================= q-point: ( 0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 5.611 10.505 0.000) 11.910 3.210 ( -0.425 -3.184 -0.000) 3.212 3.332 ( 25.091 6.702 -0.000) 25.971 4.539 ( 3.692 -14.584 -0.000) 15.044 4.874 ( -1.678 8.601 0.000) 8.763 5.046 ( -9.769 -10.623 -0.000) 14.432 5.696 ( 1.387 -17.195 -0.000) 17.251 5.753 ( 1.129 17.534 0.000) 17.570 6.008 ( 8.793 -7.429 -0.000) 11.511 6.348 ( 1.362 14.599 0.000) 14.663 6.967 ( -12.701 4.359 0.000) 13.428 7.163 ( -8.587 -3.070 0.000) 9.120 7.361 ( -13.861 1.607 0.000) 13.954 7.464 ( -11.362 6.162 0.000) 12.925 8.128 ( 2.742 -11.018 -0.000) 11.354 8.176 ( 8.698 -4.125 -0.000) 9.627 8.964 ( -4.770 -13.512 -0.000) 14.329 9.033 ( -3.506 -0.954 0.000) 3.634 9.503 ( 2.237 -6.935 -0.000) 7.287 9.559 ( 0.408 2.592 0.000) 2.624 10.056 ( -10.357 23.604 0.000) 25.776 10.093 ( -12.979 9.358 0.000) 16.001 11.263 ( 26.915 7.410 -0.000) 27.917 11.710 ( 5.368 4.209 -0.000) 6.822 11.907 ( -2.083 -11.956 -0.000) 12.136 11.969 ( 11.649 1.323 -0.000) 11.724 12.267 ( 23.117 -3.179 -0.000) 23.334 13.117 ( 2.165 -4.703 -0.000) 5.177 13.269 ( 15.184 -13.548 -0.000) 20.349 14.004 ( -22.028 -11.842 0.000) 25.009 14.164 ( -27.677 8.151 0.000) 28.853 14.865 ( -8.500 17.574 0.000) 19.521 15.015 ( 18.029 -22.052 -0.000) 28.484 15.381 ( 11.789 30.311 0.000) 32.523 15.879 ( 0.057 6.601 0.000) 6.601 17.504 ( -23.070 -14.483 0.000) 27.240 ======================= Grid point 127 (82/156) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -7.108 -8.365 12.360) 16.531 2.987 ( 7.108 8.365 12.360) 16.531 4.356 ( -12.989 -12.457 1.849) 18.092 4.356 ( 12.989 12.457 1.849) 18.092 4.851 ( 1.883 -9.405 1.068) 9.651 4.851 ( -1.883 9.405 1.068) 9.651 5.768 ( 6.135 -15.653 -1.340) 16.866 5.768 ( -6.135 15.653 -1.340) 16.866 6.291 ( 1.602 -15.492 -4.869) 16.318 6.291 ( -1.602 15.492 -4.869) 16.318 6.553 ( -0.567 -2.985 -3.969) 4.998 6.553 ( 0.567 2.985 -3.969) 4.998 7.339 ( -1.728 -5.930 7.727) 9.892 7.339 ( 1.728 5.930 7.727) 9.892 8.320 ( 4.905 -8.728 -0.882) 10.050 8.320 ( -4.905 8.727 -0.882) 10.050 8.799 ( -5.216 -2.177 -8.392) 10.118 8.799 ( 5.216 2.177 -8.392) 10.118 9.248 ( 3.765 -8.137 -15.093) 17.555 9.248 ( -3.765 8.137 -15.093) 17.555 10.158 ( 4.451 -10.644 21.438) 24.345 10.158 ( -4.451 10.644 21.438) 24.345 11.726 ( -2.817 -6.989 -9.769) 12.337 11.726 ( 2.817 6.989 -9.769) 12.337 12.327 ( -13.121 -5.160 -0.292) 14.103 12.327 ( 13.121 5.160 -0.292) 14.103 12.993 ( -2.642 -9.711 9.121) 13.582 12.993 ( 2.642 9.711 9.121) 13.582 13.368 ( -5.557 -9.787 3.211) 11.704 13.368 ( 5.557 9.787 3.211) 11.704 13.982 ( 17.427 -18.422 -7.159) 26.350 13.982 ( -17.427 18.422 -7.159) 26.350 15.652 ( 12.742 -11.887 4.850) 18.088 15.652 ( -12.742 11.887 4.850) 18.088 16.410 ( -27.453 -18.368 -3.575) 33.224 16.410 ( 27.453 18.368 -3.575) 33.224 ======================= Grid point 129 (83/156) ======================= q-point: ( 0.10 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -7.912 -7.554 8.904) 14.105 3.403 ( -2.780 6.045 4.226) 7.882 3.684 ( -15.388 -5.825 14.253) 21.769 4.330 ( -10.023 7.872 -0.498) 12.754 4.835 ( 4.421 -1.858 -4.461) 6.550 5.174 ( 6.127 9.016 -1.776) 11.044 5.567 ( 5.008 0.641 3.571) 6.184 5.686 ( -4.776 -2.624 -12.839) 13.947 6.194 ( 3.411 -10.144 9.280) 14.165 6.339 ( -0.846 -5.173 5.368) 7.503 6.513 ( 2.348 6.233 -12.332) 14.015 7.006 ( 7.760 -0.147 -10.998) 13.461 7.300 ( -1.822 -4.933 -4.508) 6.926 7.479 ( 0.861 6.755 6.390) 9.338 8.114 ( 1.859 11.647 -3.094) 12.193 8.340 ( -0.145 -1.610 -4.853) 5.115 8.560 ( 9.068 -10.534 5.589) 14.981 9.064 ( 5.159 0.165 -8.717) 10.130 9.315 ( 12.972 14.261 9.766) 21.611 9.562 ( 17.854 -12.148 -6.871) 22.661 10.195 ( -9.216 1.599 4.812) 10.519 10.628 ( 2.534 -6.821 9.195) 11.726 11.261 ( -13.688 -6.309 4.923) 15.855 11.679 ( -7.354 -6.555 0.909) 9.893 11.697 ( -5.956 7.881 -5.696) 11.403 12.070 ( -10.810 10.424 -2.055) 15.157 12.515 ( -15.475 3.352 8.314) 17.884 13.104 ( -12.148 -7.850 -4.481) 15.142 13.187 ( -9.748 11.662 2.712) 15.440 13.727 ( 18.687 -7.513 -9.402) 22.227 14.400 ( 22.740 11.868 5.365) 26.206 14.617 ( 15.353 -11.477 -6.766) 20.327 15.028 ( -30.602 -17.300 -7.426) 35.929 15.191 ( -9.308 14.773 4.030) 17.920 16.408 ( 9.747 -5.068 13.425) 17.347 17.311 ( 21.533 5.521 -6.203) 23.079 ======================= Grid point 131 (84/156) ======================= q-point: ( 0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 20.079 12.455 -3.596) 23.900 2.651 ( 2.517 8.672 -20.890) 22.758 3.603 ( -3.869 -7.834 -8.930) 12.494 4.156 ( 3.485 -2.169 10.321) 11.107 4.968 ( 4.130 -7.135 -12.669) 15.115 5.335 ( -2.387 -2.924 4.928) 6.207 5.589 ( -3.782 -7.577 7.280) 11.168 5.962 ( -4.232 -5.388 0.621) 6.879 6.004 ( 3.209 -0.392 1.625) 3.618 6.169 ( -3.684 9.277 -8.585) 13.166 6.763 ( 9.121 14.560 4.822) 17.844 7.231 ( 7.356 3.060 18.188) 19.856 7.528 ( -3.682 -4.473 2.426) 6.281 7.992 ( -2.444 4.381 0.575) 5.050 8.076 ( -12.266 -0.478 0.147) 12.277 8.513 ( -6.306 0.244 -5.915) 8.649 8.986 ( -5.436 -4.086 6.220) 9.216 9.055 ( 8.922 -8.708 0.796) 12.493 9.406 ( -3.644 -11.797 -3.085) 12.727 10.016 ( -10.263 1.885 -16.408) 19.444 10.241 ( -4.192 21.700 6.183) 22.950 10.577 ( 1.344 7.856 -8.731) 11.822 10.902 ( -4.657 -7.439 7.948) 11.841 11.263 ( 0.685 -4.718 1.496) 4.997 11.396 ( 11.612 1.110 1.040) 11.712 11.731 ( 8.500 -0.462 -13.335) 15.820 12.095 ( -4.956 -10.641 0.736) 11.761 12.600 ( 15.464 1.566 2.894) 15.810 13.178 ( -9.884 5.014 4.931) 12.130 13.755 ( 29.061 6.478 2.482) 29.877 14.549 ( 1.675 -7.532 -1.653) 7.891 14.784 ( -5.103 6.043 10.703) 13.309 15.216 ( -13.120 2.112 -4.362) 13.987 15.283 ( 1.375 2.083 12.886) 13.125 16.228 ( -5.528 9.772 -24.546) 26.992 18.120 ( -9.528 -12.663 7.708) 17.623 ======================= Grid point 132 (85/156) ======================= q-point: ( 0.10 -0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 6.940 11.326 0.000) 13.283 2.908 ( -9.980 -6.594 0.000) 11.962 4.132 ( 27.952 12.232 -0.000) 30.511 4.273 ( -2.463 -10.125 -0.000) 10.420 4.612 ( -3.183 -18.617 -0.000) 18.887 5.036 ( 0.130 8.224 0.000) 8.225 5.473 ( -1.704 -7.487 -0.000) 7.678 5.947 ( 3.291 -14.328 -0.000) 14.701 6.121 ( 4.743 13.749 0.000) 14.544 6.640 ( 1.726 9.462 0.000) 9.619 6.663 ( -11.497 0.211 0.000) 11.499 6.854 ( -14.255 -1.954 0.000) 14.388 7.156 ( -5.726 -4.701 0.000) 7.409 7.413 ( -5.515 4.249 0.000) 6.962 8.099 ( 5.813 -3.280 -0.000) 6.675 8.236 ( 6.438 -3.616 -0.000) 7.384 8.748 ( 4.703 -3.792 -0.000) 6.041 9.018 ( -0.880 3.835 0.000) 3.935 9.408 ( 1.884 -7.081 -0.000) 7.327 9.591 ( -3.442 3.709 0.000) 5.060 10.118 ( -9.442 14.406 0.000) 17.225 10.280 ( -14.964 23.213 0.000) 27.618 11.645 ( 1.940 -9.150 -0.000) 9.353 11.874 ( 7.033 -0.915 -0.000) 7.092 11.934 ( 24.845 -8.716 -0.000) 26.330 12.141 ( 7.098 -4.538 -0.000) 8.425 12.740 ( 20.746 2.676 -0.000) 20.918 12.856 ( -18.951 -13.187 0.000) 23.088 13.214 ( 5.262 -1.851 -0.000) 5.578 13.404 ( -5.362 -5.432 -0.000) 7.633 13.898 ( -14.083 6.283 0.000) 15.421 14.766 ( 1.723 -9.994 -0.000) 10.142 15.070 ( -4.702 7.840 0.000) 9.142 15.833 ( -8.526 -5.681 0.000) 10.246 16.423 ( 24.862 28.993 0.000) 38.193 16.787 ( -24.566 -5.285 0.000) 25.128 ======================= Grid point 137 (86/156) ======================= q-point: ( 0.10 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 17.971 6.172 -4.630) 19.557 3.010 ( 17.837 11.359 -15.830) 26.416 3.332 ( -3.848 -9.013 -7.714) 12.472 4.132 ( 1.565 -6.199 7.068) 9.531 4.636 ( 0.349 -25.171 2.892) 25.339 5.218 ( 3.546 -5.224 -19.372) 20.375 5.526 ( -6.428 6.400 11.850) 14.923 5.746 ( -1.702 -10.621 5.296) 11.990 6.145 ( 0.444 9.430 -5.598) 10.976 6.404 ( 7.713 7.059 0.446) 10.465 6.981 ( -4.039 2.729 10.774) 11.826 7.196 ( -4.475 -15.221 -1.374) 15.924 7.374 ( 1.910 -0.764 19.053) 19.163 7.713 ( -13.446 5.556 8.957) 17.085 8.007 ( -4.850 -3.190 -4.441) 7.309 8.337 ( -10.703 -0.667 -14.122) 17.732 8.871 ( 2.468 -10.009 -11.040) 15.104 8.911 ( -4.001 -1.791 8.347) 9.428 9.279 ( 0.378 -2.086 6.358) 6.702 9.880 ( -3.045 -0.646 -14.788) 15.112 10.475 ( -15.245 19.795 9.936) 26.888 10.802 ( -1.388 12.355 -3.296) 12.862 10.886 ( 12.236 -0.084 -4.798) 13.143 11.438 ( 15.663 -2.921 12.203) 20.069 11.636 ( 8.575 1.880 -1.280) 8.871 11.839 ( -1.810 -1.998 -1.809) 3.247 12.014 ( 17.924 3.443 -12.149) 21.925 12.871 ( 4.709 -0.788 5.747) 7.471 13.142 ( -2.549 6.933 -2.191) 7.705 14.204 ( 0.481 -15.862 -2.825) 16.119 14.237 ( -6.000 -9.903 4.592) 12.456 14.815 ( -22.704 0.039 1.194) 22.736 15.004 ( 15.602 15.233 3.951) 22.160 15.525 ( 5.161 13.014 15.379) 20.797 16.307 ( -4.537 7.052 -18.175) 20.016 17.618 ( -15.498 -10.685 1.461) 18.881 ======================= Grid point 138 (87/156) ======================= q-point: ( 0.10 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -9.794 -4.273 0.000) 10.685 3.211 ( 1.658 7.880 0.000) 8.052 3.851 ( -9.796 -22.541 -0.000) 24.577 4.362 ( 5.234 -6.311 -0.000) 8.199 4.933 ( 22.252 15.037 -0.000) 26.857 5.145 ( -2.660 0.487 0.000) 2.705 5.298 ( -7.488 -0.646 0.000) 7.516 5.539 ( -1.308 -17.274 -0.000) 17.323 6.517 ( 11.923 2.465 -0.000) 12.175 6.524 ( -13.311 -2.738 0.000) 13.590 6.732 ( 0.994 19.532 0.000) 19.558 6.837 ( -4.569 9.423 0.000) 10.473 6.893 ( 1.668 -12.979 -0.000) 13.085 7.415 ( -5.090 7.906 0.000) 9.402 8.146 ( 4.093 -2.532 -0.000) 4.813 8.306 ( 7.914 -3.780 -0.000) 8.770 9.017 ( 11.706 8.342 -0.000) 14.374 9.103 ( 0.101 3.012 0.000) 3.014 9.306 ( 3.404 -6.061 -0.000) 6.951 9.608 ( -3.119 6.244 0.000) 6.980 10.266 ( -8.358 17.715 0.000) 19.587 10.354 ( -19.699 17.713 0.000) 26.491 11.529 ( 1.290 -5.925 -0.000) 6.064 11.752 ( 2.496 -29.469 -0.000) 29.575 11.800 ( -19.281 -13.749 0.000) 23.681 11.949 ( 9.419 -9.812 -0.000) 13.601 12.381 ( 0.341 -5.665 -0.000) 5.676 13.093 ( 12.063 0.206 -0.000) 12.065 13.440 ( 4.607 3.074 -0.000) 5.538 13.591 ( 9.943 1.321 -0.000) 10.030 13.873 ( 6.624 11.333 0.000) 13.127 14.621 ( 9.824 -15.622 -0.000) 18.454 15.100 ( -13.605 13.808 0.000) 19.385 15.283 ( -21.237 -14.448 0.000) 25.686 16.387 ( -17.235 4.623 0.000) 17.844 17.442 ( 21.666 24.633 0.000) 32.806 ======================= Grid point 141 (88/156) ======================= q-point: ( 0.10 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 22.872 -2.522 10.974) 25.494 3.037 ( 1.016 -14.409 14.585) 20.528 3.499 ( 7.137 8.488 -24.398) 26.800 4.081 ( -2.515 -4.447 -3.543) 6.217 4.299 ( -10.317 -21.835 -12.249) 27.079 5.136 ( -1.607 -17.042 9.940) 19.794 5.432 ( 6.701 -10.095 -11.621) 16.789 5.433 ( -1.235 5.872 21.074) 21.911 6.003 ( 10.076 -7.302 -3.374) 12.893 6.679 ( -0.334 4.660 8.518) 9.715 6.802 ( 2.498 1.768 -0.707) 3.141 6.914 ( 0.892 1.291 4.113) 4.402 7.249 ( -5.272 -4.651 -7.851) 10.539 7.773 ( -8.725 0.209 16.418) 18.593 8.207 ( -2.797 3.242 -7.802) 8.899 8.591 ( -7.427 -1.370 5.383) 9.274 8.802 ( 9.445 -8.509 -7.783) 14.906 8.955 ( 6.130 -7.815 -2.548) 10.254 9.124 ( -5.546 -4.690 -21.798) 22.976 10.336 ( -16.131 1.079 -9.518) 18.761 10.695 ( -5.672 -3.273 7.319) 9.821 10.733 ( 20.950 3.870 6.820) 22.369 10.892 ( -6.114 11.660 8.851) 15.864 11.259 ( -3.307 2.299 -2.585) 4.785 11.456 ( 7.660 3.180 5.872) 10.162 12.036 ( 8.758 9.847 -11.962) 17.797 12.146 ( -5.307 16.736 -1.501) 17.622 12.811 ( -3.446 5.247 2.954) 6.938 13.396 ( 7.166 5.086 4.442) 9.846 13.773 ( 2.896 2.535 -0.788) 3.929 14.399 ( -4.645 1.830 4.730) 6.877 14.814 ( -0.928 0.069 5.638) 5.715 15.058 ( -5.995 1.201 9.374) 11.192 15.409 ( 3.151 4.831 1.437) 5.944 16.528 ( -3.291 -8.765 6.601) 11.455 17.790 ( -3.531 -4.782 -17.210) 18.207 ======================= Grid point 142 (89/156) ======================= q-point: ( 0.10 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( -3.750 -8.924 -3.346) 10.242 3.106 ( 9.165 5.575 -12.989) 16.846 3.842 ( 31.650 9.727 -10.305) 34.677 4.030 ( 2.704 -4.448 5.081) 7.274 4.117 ( -1.710 -25.935 3.991) 26.296 5.235 ( 4.403 -2.466 -11.760) 12.797 5.450 ( -7.027 -5.297 9.687) 13.087 5.586 ( 2.443 0.134 6.359) 6.814 6.307 ( -2.195 6.481 -4.849) 8.387 6.666 ( 9.148 1.666 1.674) 9.448 6.742 ( -10.555 -7.018 3.878) 13.256 6.935 ( 0.282 -5.778 -2.829) 6.440 7.267 ( -9.466 -0.905 9.662) 13.556 7.637 ( -5.535 6.895 1.460) 8.962 8.007 ( -0.503 7.395 1.543) 7.571 8.202 ( -1.720 0.039 -3.146) 3.586 8.674 ( -1.643 -1.895 -2.461) 3.514 8.953 ( 2.977 -0.150 0.773) 3.079 9.221 ( 0.553 -2.446 2.084) 3.261 9.843 ( 1.842 -2.413 -11.013) 11.424 10.566 ( -13.645 19.057 9.801) 25.405 10.946 ( 1.005 0.864 4.357) 4.554 11.050 ( 9.524 -5.884 -3.775) 11.815 11.596 ( 3.684 -0.437 4.194) 5.599 11.648 ( 2.811 -4.788 0.091) 5.553 12.113 ( 3.666 8.571 -4.159) 10.207 12.593 ( 17.933 16.293 -2.324) 24.341 12.799 ( 0.078 -7.237 4.060) 8.298 13.229 ( -3.657 -3.042 -9.297) 10.444 13.411 ( -18.414 -14.986 -0.526) 23.747 14.178 ( 10.997 -13.108 -0.972) 17.138 14.372 ( -20.250 2.535 1.269) 20.447 15.409 ( -3.322 10.451 11.608) 15.969 15.901 ( 0.558 -1.202 -2.303) 2.657 16.488 ( 9.301 17.424 8.392) 21.460 17.175 ( -12.419 -1.172 -10.729) 16.453 ======================= Grid point 143 (90/156) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -13.237 -4.256 0.000) 13.904 2.849 ( -15.565 -30.602 -0.000) 34.333 3.484 ( -2.347 0.509 0.000) 2.402 4.388 ( -0.563 1.703 0.000) 1.794 4.799 ( -3.982 -14.408 -0.000) 14.948 5.105 ( -19.898 7.797 0.000) 21.371 5.472 ( 6.778 4.503 -0.000) 8.137 5.657 ( 12.733 12.036 -0.000) 17.521 6.199 ( -5.249 -10.760 -0.000) 11.972 6.581 ( -6.741 -8.744 -0.000) 11.041 6.668 ( 12.906 -8.218 -0.000) 15.301 7.000 ( -0.249 6.278 0.000) 6.283 7.131 ( -2.621 7.047 0.000) 7.518 7.749 ( 4.405 30.882 0.000) 31.194 8.066 ( -5.214 -6.122 -0.000) 8.042 8.418 ( 11.363 -2.901 -0.000) 11.728 9.060 ( -7.412 -0.216 0.000) 7.415 9.186 ( 3.597 -3.727 -0.000) 5.180 9.560 ( 14.785 7.128 -0.000) 16.414 9.771 ( 2.803 9.567 0.000) 9.969 10.189 ( -17.727 6.384 0.000) 18.842 10.471 ( -7.541 17.810 0.000) 19.341 11.117 ( -6.833 -23.893 -0.000) 24.851 11.322 ( -11.623 2.153 0.000) 11.820 11.439 ( 6.156 -12.915 -0.000) 14.307 11.945 ( 10.959 -11.261 -0.000) 15.714 12.379 ( 8.150 -3.083 -0.000) 8.713 13.115 ( 5.078 -14.295 -0.000) 15.170 13.591 ( 8.331 -3.279 -0.000) 8.953 13.663 ( -0.054 4.403 0.000) 4.403 14.345 ( 2.820 -1.255 -0.000) 3.087 14.540 ( 8.394 -10.058 -0.000) 13.101 14.705 ( -6.412 3.814 0.000) 7.461 15.087 ( -16.125 14.295 0.000) 21.549 16.167 ( -12.841 2.409 0.000) 13.065 18.251 ( 16.205 17.381 0.000) 23.763 ======================= Grid point 146 (91/156) ======================= q-point: ( 0.10 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 10.184 -13.072 13.744) 21.529 2.758 ( 16.268 -14.883 14.795) 26.552 3.729 ( -0.678 -11.532 -20.843) 23.831 3.973 ( 12.486 8.998 -11.773) 19.377 4.035 ( 0.302 1.280 -2.094) 2.473 4.861 ( 3.458 -7.289 16.435) 18.308 5.366 ( 6.880 -9.764 -16.462) 20.339 5.480 ( -1.483 1.167 13.334) 13.467 6.071 ( 14.147 -11.046 7.383) 19.408 6.725 ( 7.064 -2.559 2.275) 7.850 6.791 ( -10.843 0.899 -2.109) 11.083 6.914 ( -9.322 0.391 -7.496) 11.969 7.156 ( 6.644 1.579 -1.309) 6.954 7.734 ( -0.653 8.439 15.356) 17.534 8.273 ( -2.690 9.316 -3.095) 10.178 8.377 ( -11.816 -0.861 1.870) 11.994 8.640 ( -2.628 -10.542 -9.084) 14.162 8.983 ( 11.352 -5.983 -4.058) 13.459 9.123 ( 5.727 -0.102 -19.657) 20.475 10.057 ( -13.076 2.911 -3.604) 13.873 10.606 ( 2.331 -1.320 5.279) 5.919 10.824 ( -5.885 3.933 3.528) 7.909 11.221 ( 12.174 -5.318 10.307) 16.814 11.392 ( 4.980 10.066 4.640) 12.151 11.462 ( -3.984 -0.754 -6.964) 8.058 12.311 ( 0.798 5.302 -5.882) 7.960 12.591 ( -3.931 1.915 7.696) 8.851 12.785 ( 6.798 18.073 -0.417) 19.314 13.518 ( -10.548 -2.392 -3.574) 11.391 13.642 ( -18.101 -13.360 0.041) 22.498 13.978 ( -7.998 10.616 2.951) 13.615 14.662 ( -11.655 -1.539 3.727) 12.333 15.293 ( 9.038 4.573 7.830) 12.802 15.759 ( 10.596 5.256 5.844) 13.193 16.294 ( -0.464 -4.271 15.523) 16.106 17.655 ( -1.087 -1.688 -22.773) 22.862 ======================= Grid point 147 (92/156) ======================= q-point: ( 0.10 0.70 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -2.028 -8.198 -3.816) 9.267 3.372 ( 2.535 -23.128 -13.394) 26.847 3.426 ( -2.695 -5.065 -0.114) 5.738 4.107 ( 6.731 1.390 8.128) 10.644 4.710 ( 30.496 9.519 -9.337) 33.283 5.146 ( -5.569 -12.436 -8.449) 16.033 5.285 ( 0.467 2.599 6.577) 7.087 5.694 ( -0.415 8.652 -3.372) 9.295 6.297 ( -3.057 -1.597 2.472) 4.243 6.499 ( 0.386 -7.512 4.431) 8.730 6.696 ( 2.586 -2.158 14.274) 14.666 6.973 ( -17.758 0.159 -0.432) 17.764 7.211 ( 9.321 16.179 -8.193) 20.391 7.749 ( -2.191 9.586 -0.830) 9.868 8.045 ( -4.070 4.696 4.247) 7.527 8.263 ( 3.679 2.058 -3.199) 5.291 8.815 ( 6.503 2.761 12.276) 14.164 9.025 ( 6.715 2.094 -5.967) 9.224 9.226 ( 4.209 -2.014 -5.578) 7.273 9.865 ( 2.656 0.912 -8.656) 9.101 10.684 ( -11.646 15.856 11.736) 22.908 10.870 ( 4.472 -11.511 4.308) 13.079 11.072 ( -3.483 0.017 -4.024) 5.322 11.473 ( -4.817 -7.924 7.319) 11.813 11.678 ( -0.561 -3.984 3.347) 5.233 11.950 ( -16.562 -3.363 -12.161) 20.821 12.503 ( -11.343 -4.108 -1.434) 12.149 12.855 ( 6.325 -14.220 8.019) 17.508 12.998 ( 4.279 -11.148 -3.536) 12.454 13.523 ( 17.912 12.391 -5.666) 22.505 14.005 ( -3.969 -6.082 3.674) 8.139 14.397 ( 3.524 10.800 -8.026) 13.909 15.350 ( -14.165 -1.388 8.977) 16.827 15.642 ( -12.680 1.742 2.479) 13.037 16.729 ( -6.205 -1.525 -4.125) 7.605 17.458 ( 16.294 19.447 0.362) 25.374 ======================= Grid point 148 (93/156) ======================= q-point: ( 0.10 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -15.470 -38.582 -0.000) 41.568 1.832 ( -22.141 -6.805 0.000) 23.163 3.316 ( -25.428 5.358 0.000) 25.986 4.373 ( -4.665 2.545 0.000) 5.314 4.650 ( 9.124 -5.048 -0.000) 10.427 4.882 ( -20.633 14.440 0.000) 25.184 5.636 ( 0.999 4.835 0.000) 4.938 5.887 ( -3.052 -12.663 -0.000) 13.026 6.136 ( 9.572 11.086 0.000) 14.647 6.167 ( -13.206 -11.652 0.000) 17.611 6.747 ( 13.773 -10.834 -0.000) 17.523 7.037 ( -8.881 3.389 0.000) 9.506 7.051 ( -6.457 0.476 0.000) 6.475 7.901 ( 4.967 -2.386 -0.000) 5.511 8.249 ( -1.431 7.382 0.000) 7.519 8.683 ( -9.842 1.915 0.000) 10.027 8.981 ( 12.955 11.929 -0.000) 17.611 9.091 ( -3.531 -4.923 -0.000) 6.058 9.816 ( -1.201 -0.721 0.000) 1.401 9.978 ( -0.071 2.787 0.000) 2.788 10.130 ( 4.068 3.453 -0.000) 5.336 10.667 ( -4.929 14.957 0.000) 15.748 10.707 ( 3.342 -6.296 -0.000) 7.128 11.248 ( 9.950 -21.968 -0.000) 24.116 11.319 ( -2.349 6.412 0.000) 6.829 12.067 ( 13.839 4.115 -0.000) 14.438 12.571 ( 13.695 -2.633 -0.000) 13.946 12.889 ( -7.525 -3.147 0.000) 8.157 13.589 ( 16.415 -20.954 -0.000) 26.619 13.593 ( -4.421 -11.644 -0.000) 12.455 14.109 ( -12.100 8.583 0.000) 14.835 14.587 ( -3.446 9.702 0.000) 10.296 14.991 ( -15.202 6.594 0.000) 16.570 15.071 ( 14.931 5.540 -0.000) 15.925 15.954 ( -8.768 -1.963 0.000) 8.985 18.779 ( 10.832 8.075 -0.000) 13.511 ======================= Grid point 150 (94/156) ======================= q-point: ( 0.10 0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 19.745 -9.407 23.272) 31.937 1.678 ( 9.948 -23.209 23.740) 34.658 3.137 ( 13.160 -11.354 55.386) 58.049 4.086 ( -3.638 -2.321 -18.584) 19.078 4.244 ( 9.835 0.397 -21.592) 23.730 4.826 ( -3.906 0.610 0.062) 3.954 5.200 ( -3.381 3.059 6.122) 7.633 5.448 ( 6.936 -6.006 -18.264) 20.439 5.622 ( 6.948 -7.128 -1.490) 10.065 6.305 ( 8.247 -6.811 5.202) 11.894 7.049 ( -8.622 2.017 0.308) 8.860 7.064 ( -0.475 1.057 6.422) 6.525 7.351 ( 0.544 2.562 -7.346) 7.799 7.479 ( 5.065 -1.822 1.595) 5.614 8.311 ( -2.559 -0.030 0.308) 2.578 8.654 ( 0.920 -1.282 -13.335) 13.428 8.715 ( 7.786 -6.052 -4.104) 10.682 8.905 ( -10.178 7.356 -3.541) 13.048 9.615 ( -2.105 3.079 -27.602) 27.853 10.266 ( -1.559 -2.435 7.789) 8.308 10.550 ( 13.031 -8.755 8.618) 17.909 10.743 ( -13.970 13.919 0.254) 19.722 11.030 ( -9.555 -0.742 -0.694) 9.609 11.289 ( 10.163 2.162 -6.055) 12.026 11.683 ( -4.013 4.031 2.842) 6.358 12.519 ( -3.869 9.809 10.056) 14.571 12.657 ( -3.831 -0.840 -5.122) 6.451 13.230 ( -9.643 26.019 10.836) 29.789 13.348 ( 4.259 -10.694 0.287) 11.514 13.734 ( -17.595 1.323 6.430) 18.780 14.469 ( -17.121 3.541 11.141) 20.731 14.693 ( -5.932 0.437 7.243) 9.373 14.929 ( 16.911 6.360 8.806) 20.099 15.618 ( 4.681 5.627 2.806) 7.839 15.822 ( 1.333 -11.293 9.544) 14.846 17.903 ( 14.530 -15.641 -28.413) 35.540 ======================= Grid point 151 (95/156) ======================= q-point: ( 0.10 0.50 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 2.666 -21.294 16.050) 26.798 3.029 ( 15.423 -2.842 16.822) 22.998 3.501 ( -3.253 -7.039 -23.443) 24.692 4.097 ( 1.796 4.251 -3.888) 6.034 4.550 ( 25.944 2.667 -17.722) 31.533 5.037 ( 8.048 8.005 21.605) 24.406 5.302 ( 5.309 -8.405 -23.364) 25.391 5.488 ( 4.635 -1.207 14.535) 15.304 6.071 ( 7.445 -10.634 7.184) 14.837 6.506 ( -7.368 0.709 5.127) 9.005 6.714 ( -12.737 4.757 -9.770) 16.742 6.975 ( 8.168 -0.093 10.257) 13.112 7.378 ( 10.418 1.354 -10.774) 15.048 8.007 ( 2.931 10.564 17.426) 20.588 8.056 ( -12.141 2.426 0.495) 12.391 8.353 ( -4.076 -2.547 -9.266) 10.439 8.586 ( 7.775 5.878 0.604) 9.766 9.079 ( 10.353 -7.821 -7.684) 15.080 9.271 ( 5.981 1.846 -19.646) 20.619 9.973 ( -6.422 9.277 2.468) 11.550 10.669 ( 0.733 -0.702 -5.271) 5.368 10.799 ( -4.433 7.006 13.635) 15.958 11.220 ( 0.650 -7.256 6.200) 9.566 11.328 ( -0.949 -10.442 -1.122) 10.545 11.559 ( 0.605 0.853 -1.291) 1.662 12.244 ( -7.299 -10.348 -5.593) 13.843 12.356 ( -15.374 0.184 13.755) 20.630 12.737 ( -17.508 -3.722 -2.132) 18.026 13.134 ( -7.855 -4.990 -2.563) 9.653 13.638 ( 10.459 15.406 -4.362) 19.125 13.946 ( -13.721 2.834 9.469) 16.911 14.725 ( 4.125 11.830 -4.945) 13.469 15.345 ( -5.642 -3.800 7.670) 10.252 15.635 ( -4.785 -8.434 5.508) 11.152 16.547 ( 13.692 2.348 12.647) 18.787 17.729 ( 3.640 5.557 -18.889) 20.023 ======================= Grid point 152 (96/156) ======================= q-point: ( 0.10 -0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -7.543 -29.104 3.645) 30.285 2.670 ( -10.664 -5.352 -17.157) 20.898 3.634 ( 6.972 2.370 -12.547) 14.548 4.197 ( 0.891 -2.861 12.526) 12.879 4.843 ( -3.354 -2.946 -15.553) 16.181 5.328 ( 11.210 0.941 1.747) 11.384 5.438 ( 7.753 11.254 8.393) 16.037 5.935 ( 0.171 12.821 -7.731) 14.973 6.116 ( -9.099 -3.732 6.789) 11.950 6.318 ( 4.379 -12.133 -0.299) 12.902 6.591 ( -13.289 -4.324 -10.480) 17.468 6.883 ( 2.437 8.650 22.513) 24.241 7.533 ( -4.044 6.253 -7.107) 10.294 7.833 ( -4.282 2.978 8.784) 10.216 8.326 ( 7.744 22.463 1.138) 23.787 8.420 ( 5.402 -0.040 -11.948) 13.113 8.811 ( -0.152 -3.697 12.157) 12.707 9.194 ( 6.610 -5.600 -7.017) 11.149 9.419 ( 10.809 5.549 -0.123) 12.151 10.021 ( 3.881 7.399 -9.658) 12.770 10.483 ( -11.239 -8.241 8.145) 16.142 10.751 ( -14.542 -9.930 -3.366) 17.928 10.891 ( -2.223 6.568 3.117) 7.602 11.148 ( -1.257 -10.295 5.847) 11.906 11.528 ( -7.401 -0.068 -3.408) 8.148 11.793 ( 0.981 1.089 -4.703) 4.926 12.240 ( -5.758 -3.845 -2.233) 7.275 12.732 ( 16.440 -24.377 7.857) 30.434 12.943 ( 4.957 3.092 -1.128) 5.950 13.674 ( -5.451 -9.421 2.944) 11.276 14.222 ( 17.044 10.038 -2.517) 19.939 14.692 ( -3.509 11.642 -1.910) 12.308 14.999 ( -12.429 2.905 1.368) 12.837 15.503 ( -8.897 2.541 4.370) 10.233 16.496 ( -9.929 -4.468 -13.227) 17.131 18.109 ( 15.889 10.300 7.973) 20.545 ======================= Grid point 153 (97/156) ======================= q-point: ( 0.15 -0.15 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -18.701 -13.149 0.000) 22.861 1.751 ( -24.031 -0.729 0.000) 24.042 3.394 ( -23.722 1.597 0.000) 23.776 4.458 ( -8.808 5.270 0.000) 10.264 4.578 ( 12.426 -1.811 -0.000) 12.558 5.226 ( -24.146 10.575 0.000) 26.360 5.695 ( -8.154 0.033 0.000) 8.154 5.743 ( -0.698 4.489 0.000) 4.543 5.945 ( -7.962 -8.128 -0.000) 11.378 6.317 ( 9.060 7.068 -0.000) 11.491 6.504 ( 12.665 -12.613 -0.000) 17.874 7.062 ( -1.859 0.678 0.000) 1.979 7.137 ( -16.060 5.752 0.000) 17.059 7.837 ( 9.160 -3.184 -0.000) 9.698 8.249 ( 1.058 -4.833 -0.000) 4.947 8.658 ( -17.942 -2.723 0.000) 18.147 9.084 ( -3.528 4.095 0.000) 5.405 9.318 ( 11.452 16.464 0.000) 20.055 9.709 ( -1.576 -8.698 -0.000) 8.840 9.912 ( -1.022 -7.404 -0.000) 7.474 10.226 ( 1.935 6.036 0.000) 6.339 10.588 ( 21.354 -21.354 -0.000) 30.199 10.871 ( -9.991 5.896 0.000) 11.601 11.016 ( 2.268 13.715 0.000) 13.901 11.446 ( -1.194 8.338 0.000) 8.423 12.177 ( 18.897 -9.023 -0.000) 20.940 12.420 ( 14.396 -2.646 -0.000) 14.637 12.949 ( -9.623 7.057 0.000) 11.933 13.166 ( 19.899 -12.765 -0.000) 23.641 13.398 ( -5.458 -6.167 -0.000) 8.235 14.248 ( -11.608 4.286 0.000) 12.374 14.886 ( -8.481 11.137 0.000) 13.999 15.046 ( -13.269 2.711 0.000) 13.543 15.175 ( 13.461 5.100 -0.000) 14.395 15.843 ( -5.350 -8.945 -0.000) 10.423 18.842 ( 10.342 -1.948 -0.000) 10.523 ======================= Grid point 155 (98/156) ======================= q-point: ( 0.15 0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 3.936 0.190 29.223) 29.487 1.627 ( 27.000 0.743 25.375) 37.060 3.017 ( 17.173 -0.572 60.553) 62.944 4.104 ( -0.975 3.908 -21.546) 21.920 4.186 ( 7.383 -5.137 -19.529) 21.501 4.856 ( -3.182 1.090 8.827) 9.446 5.252 ( -4.176 0.599 -3.781) 5.665 5.357 ( 5.228 -0.845 -17.454) 18.240 5.556 ( 8.231 -0.040 -2.257) 8.535 6.220 ( 8.331 -0.354 5.921) 10.227 7.020 ( -9.421 0.087 3.320) 9.989 7.205 ( -1.505 8.575 7.424) 11.442 7.283 ( 0.193 -9.234 -6.416) 11.246 7.462 ( 10.816 0.582 -0.977) 10.876 8.357 ( -1.484 0.330 -3.830) 4.120 8.581 ( 2.505 0.669 -6.783) 7.261 8.675 ( 8.029 -0.776 -9.738) 12.645 8.997 ( -17.548 0.853 -4.558) 18.150 9.660 ( -0.625 -0.229 -30.913) 30.921 10.295 ( 3.066 3.536 11.032) 11.984 10.386 ( 10.153 -3.781 7.502) 13.178 10.959 ( -8.466 -5.700 -6.538) 12.121 11.037 ( -8.180 12.703 -2.574) 15.327 11.220 ( 3.129 -7.284 -6.150) 10.033 11.720 ( -7.996 -0.044 4.954) 9.406 12.545 ( -11.853 -2.008 2.918) 12.371 12.794 ( 5.090 1.459 9.411) 10.799 13.155 ( -2.312 -0.481 -0.479) 2.410 13.456 ( -12.091 -4.793 0.388) 13.012 13.877 ( -27.945 7.719 13.222) 31.865 14.565 ( -4.352 6.759 7.422) 10.941 14.684 ( 1.921 0.409 11.921) 12.082 14.977 ( -0.452 -9.202 13.201) 16.098 15.570 ( -4.581 -4.244 -0.432) 6.260 15.775 ( 10.704 4.251 7.372) 13.674 17.698 ( 28.900 0.426 -25.035) 38.238 ======================= Grid point 156 (99/156) ======================= q-point: ( 0.15 0.45 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 2.355 0.242 16.322) 16.493 3.014 ( 14.931 0.793 17.094) 22.710 3.428 ( -5.673 -0.150 -24.322) 24.975 4.127 ( 3.882 -1.093 -6.288) 7.471 4.498 ( 22.777 -7.697 -14.199) 27.922 5.153 ( 12.344 0.267 5.984) 13.720 5.280 ( 7.076 7.764 -3.201) 10.982 5.450 ( 2.413 -1.553 13.882) 14.176 5.926 ( 6.817 -2.669 -0.083) 7.321 6.585 ( -0.767 6.304 10.865) 12.585 6.780 ( -12.321 1.447 -7.069) 14.279 6.942 ( 5.992 -2.451 7.609) 9.990 7.347 ( 6.948 -3.827 -8.638) 11.727 7.944 ( -2.377 -7.456 19.297) 20.823 8.208 ( -4.543 1.982 -9.777) 10.961 8.474 ( 5.413 15.040 -1.373) 16.043 8.703 ( 3.983 3.636 0.680) 5.435 8.924 ( 10.362 -5.410 -6.586) 13.417 9.247 ( 7.126 -4.363 -23.163) 24.624 10.269 ( -6.714 19.376 2.639) 20.676 10.607 ( -0.397 -7.112 -9.551) 11.915 10.882 ( -1.504 -5.105 14.322) 15.279 10.991 ( 2.037 -7.851 2.997) 8.647 11.272 ( -9.966 5.583 6.054) 12.929 11.418 ( 2.187 -10.364 -2.493) 10.882 12.034 ( -6.715 -7.545 -10.648) 14.676 12.298 ( -25.466 -7.422 4.866) 26.968 12.831 ( -16.666 4.196 1.587) 17.259 13.136 ( 4.114 10.451 3.661) 11.813 13.809 ( -6.444 -1.042 5.577) 8.586 14.133 ( -8.751 17.235 2.565) 19.499 14.956 ( 4.355 7.830 3.141) 9.494 15.150 ( -6.090 -13.672 6.570) 16.345 15.471 ( 0.564 -7.379 1.462) 7.544 16.561 ( 11.177 -0.429 8.374) 13.972 17.807 ( 6.644 1.782 -17.255) 18.576 ======================= Grid point 157 (100/156) ======================= q-point: ( 0.15 -0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -12.895 -9.678 -0.612) 16.135 2.630 ( -7.913 -0.270 -18.821) 20.418 3.651 ( 7.901 -0.789 -9.763) 12.584 4.141 ( -0.796 -1.718 10.661) 10.828 4.868 ( 2.901 4.417 -16.594) 17.415 5.347 ( 11.980 0.690 3.284) 12.441 5.613 ( 4.790 4.241 12.728) 14.245 5.946 ( 2.666 -1.685 5.620) 6.445 6.102 ( 4.257 -8.975 -1.118) 9.996 6.237 ( -5.540 2.843 -8.062) 10.186 6.565 ( -19.993 5.792 -7.173) 22.016 7.065 ( -0.680 8.959 22.358) 24.095 7.579 ( -1.357 -0.889 -1.804) 2.426 7.915 ( -7.561 5.004 0.566) 9.084 8.336 ( 0.667 -7.859 -6.440) 10.182 8.622 ( 7.415 -2.470 3.425) 8.533 8.824 ( 7.259 11.841 5.214) 14.835 9.083 ( 6.043 -4.880 -1.009) 7.832 9.466 ( 11.633 -1.010 -2.175) 11.878 10.148 ( -0.834 1.632 -13.198) 13.325 10.311 ( -13.308 -5.561 5.339) 15.379 10.613 ( -12.733 -4.487 -6.161) 14.840 10.852 ( 2.007 -2.417 7.394) 8.034 11.167 ( -0.266 8.547 5.780) 10.321 11.549 ( -3.585 -5.795 -12.771) 14.475 11.671 ( 6.732 -8.991 -2.150) 11.436 12.222 ( -0.514 -4.609 1.824) 4.984 12.363 ( 6.265 0.639 4.504) 7.742 13.204 ( -1.895 18.968 0.750) 19.078 13.450 ( -6.603 -10.574 4.495) 13.251 14.422 ( 13.723 8.928 -2.523) 16.565 14.847 ( -12.787 1.553 10.872) 16.856 15.123 ( -1.056 9.250 -1.234) 9.391 15.456 ( -4.188 -7.204 2.462) 8.689 16.369 ( -9.442 -7.542 -18.709) 22.273 18.216 ( 14.109 0.215 8.231) 16.335 ======================= Grid point 170 (101/156) ======================= q-point: ( 0.15 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 6.065 2.279 17.750) 18.895 3.324 ( 3.567 14.288 -0.370) 14.731 3.841 ( 9.128 3.705 4.026) 10.642 4.426 ( -6.130 13.297 -2.945) 14.935 4.756 ( 15.554 -0.454 -4.753) 16.270 4.876 ( -1.514 -2.588 -8.628) 9.134 5.308 ( 10.816 5.792 7.609) 14.437 6.027 ( -13.338 -4.693 -6.665) 15.632 6.094 ( 4.276 -1.758 8.800) 9.940 6.412 ( 6.236 -9.971 -5.056) 12.801 6.602 ( -11.558 1.829 -2.010) 11.873 6.912 ( -6.516 -0.487 4.910) 8.174 7.260 ( -3.937 -2.213 6.835) 8.193 7.612 ( 2.293 0.708 -6.162) 6.612 7.777 ( 1.241 4.856 1.350) 5.191 8.408 ( 8.302 -5.031 -9.512) 13.591 8.876 ( -8.699 -11.424 -5.145) 15.253 9.047 ( -9.263 -4.290 0.982) 10.255 9.302 ( 7.064 -9.516 -9.785) 15.369 9.657 ( -11.777 -15.531 8.586) 21.298 10.094 ( 2.951 5.518 5.989) 8.661 10.656 ( 5.258 -1.434 7.523) 9.290 11.306 ( 8.501 2.527 7.995) 11.940 11.477 ( 6.472 12.653 -7.275) 15.966 11.824 ( 2.964 4.772 0.419) 5.634 12.060 ( -14.564 15.730 -3.261) 21.684 12.488 ( 2.760 8.226 -0.055) 8.677 13.072 ( 3.967 9.547 -8.721) 13.525 13.441 ( -13.738 11.675 -2.917) 18.263 13.614 ( 5.476 -17.200 2.120) 18.175 14.331 ( 2.028 -19.354 -3.282) 19.735 14.606 ( 3.439 1.091 4.132) 5.486 14.841 ( 10.994 -0.059 1.457) 11.091 15.315 ( -19.768 23.596 11.243) 32.771 16.277 ( 15.042 -12.502 7.787) 21.053 17.547 ( -14.311 -18.880 -12.472) 26.774 ======================= Grid point 171 (102/156) ======================= q-point: ( 0.15 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( -6.593 8.875 -12.503) 16.690 3.402 ( -5.443 16.504 -9.672) 19.889 3.646 ( 0.564 1.052 -11.471) 11.533 4.433 ( 0.726 12.129 12.306) 17.294 4.741 ( -4.115 0.437 -4.680) 6.247 5.136 ( -11.003 -13.882 0.923) 17.738 5.389 ( -17.554 2.852 13.926) 22.588 5.854 ( 18.235 2.047 8.613) 20.271 6.083 ( 0.916 -1.647 -10.956) 11.116 6.284 ( -2.039 -2.639 -4.760) 5.812 6.657 ( 5.326 3.702 0.336) 6.495 7.045 ( 3.656 -11.054 8.428) 14.373 7.244 ( -0.358 2.357 4.032) 4.684 7.584 ( 3.376 -4.926 -6.958) 9.169 8.086 ( -16.393 2.596 1.363) 16.653 8.313 ( -0.168 -8.572 10.124) 13.267 8.540 ( 12.840 3.024 5.571) 14.320 9.149 ( 6.606 -6.114 7.590) 11.774 9.362 ( -6.494 -10.748 3.280) 12.979 9.646 ( 15.478 -17.808 -14.376) 27.629 10.131 ( -6.493 8.057 -1.647) 10.478 10.566 ( 0.540 -1.477 -14.914) 14.997 11.142 ( -4.433 13.061 -8.405) 16.152 11.548 ( -6.710 6.149 4.252) 10.046 11.798 ( 1.911 4.121 4.055) 6.090 12.273 ( 6.318 2.375 -0.373) 6.760 12.541 ( -1.980 11.435 -10.544) 15.680 13.017 ( 5.372 13.332 9.401) 17.175 13.415 ( -8.173 0.796 9.075) 12.239 13.553 ( 6.628 -3.558 5.041) 9.056 14.376 ( -8.434 -19.752 7.983) 22.913 14.566 ( -17.149 20.715 5.024) 27.357 14.725 ( 11.129 -11.772 -11.094) 19.635 15.585 ( 17.902 13.361 -6.549) 23.278 16.169 ( -16.570 -12.630 -17.538) 27.234 17.523 ( 13.789 -17.287 13.490) 25.902 ======================= Grid point 173 (103/156) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 24.970 14.497 -0.000) 28.873 2.171 ( 1.830 15.104 0.000) 15.215 3.554 ( -3.615 0.352 0.000) 3.632 4.424 ( 5.119 -5.966 -0.000) 7.861 4.755 ( 3.809 6.707 0.000) 7.713 5.508 ( -10.326 18.931 0.000) 21.564 5.693 ( -7.796 -7.298 0.000) 10.678 5.920 ( -3.785 2.645 0.000) 4.618 6.086 ( 2.218 -21.686 -0.000) 21.799 6.150 ( -1.397 -1.941 -0.000) 2.391 6.459 ( 22.956 21.702 -0.000) 31.591 7.186 ( -0.612 8.955 0.000) 8.976 7.637 ( 10.892 14.168 0.000) 17.871 7.737 ( -3.528 6.107 0.000) 7.053 8.000 ( -9.730 -5.991 0.000) 11.426 8.675 ( -12.846 -5.783 0.000) 14.088 9.194 ( 1.336 0.566 -0.000) 1.450 9.373 ( 7.277 -16.718 -0.000) 18.233 9.536 ( -3.939 -5.002 -0.000) 6.367 9.736 ( -11.930 0.849 0.000) 11.960 9.964 ( -11.434 9.540 0.000) 14.891 10.332 ( 3.479 2.289 -0.000) 4.164 11.254 ( -27.766 -15.438 0.000) 31.770 11.294 ( 20.289 -1.096 -0.000) 20.319 11.326 ( 8.075 10.961 0.000) 13.614 11.621 ( 10.230 -4.940 -0.000) 11.360 12.313 ( 1.412 -10.508 -0.000) 10.602 12.776 ( 12.471 -14.717 -0.000) 19.290 13.154 ( -4.345 3.214 0.000) 5.405 13.617 ( 22.329 8.326 -0.000) 23.831 14.534 ( -2.217 10.224 0.000) 10.462 14.988 ( -16.059 9.478 0.000) 18.647 15.022 ( 5.537 -11.879 -0.000) 13.106 15.446 ( 13.192 7.228 -0.000) 15.042 15.656 ( -18.403 5.176 0.000) 19.117 18.479 ( -10.504 -12.858 -0.000) 16.603 ======================= Grid point 175 (104/156) ======================= q-point: ( 0.15 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 2.545 4.916 10.502) 11.872 3.378 ( -0.395 -7.374 5.341) 9.114 4.132 ( 1.552 11.294 -2.227) 11.616 4.608 ( -5.415 7.257 -1.702) 9.213 4.690 ( -3.279 -3.945 2.775) 5.833 4.996 ( 10.195 -4.812 1.984) 11.447 5.493 ( -9.739 10.356 -0.090) 14.216 5.870 ( -2.397 10.982 -4.259) 12.020 6.055 ( 8.338 -14.810 1.767) 17.087 6.362 ( -10.689 2.518 -5.777) 12.408 6.443 ( 13.706 -5.711 -2.135) 15.001 6.695 ( -2.488 -11.023 1.540) 11.405 7.338 ( 1.236 8.607 6.774) 11.022 7.603 ( -1.384 -3.589 1.711) 4.210 7.995 ( -0.593 11.172 0.602) 11.204 8.469 ( 3.201 -6.088 -10.874) 12.867 8.527 ( -9.406 1.552 -3.611) 10.194 8.786 ( -1.647 -3.387 5.012) 6.269 9.179 ( -5.132 -12.787 -0.892) 13.807 9.225 ( 11.736 -15.226 -11.741) 22.526 10.317 ( -0.786 9.660 12.465) 15.790 10.655 ( 3.239 -6.071 4.938) 8.470 11.488 ( 5.389 1.168 -2.345) 5.992 11.582 ( -3.951 -2.322 -9.198) 10.277 12.060 ( -5.011 16.281 -3.525) 17.395 12.310 ( 4.880 13.158 3.943) 14.577 12.892 ( 7.705 12.875 2.285) 15.177 13.197 ( -7.895 2.943 2.635) 8.828 13.306 ( -1.279 0.408 9.499) 9.593 13.503 ( -7.402 8.047 -9.860) 14.723 13.889 ( -6.351 -20.454 8.839) 23.170 14.256 ( 12.143 -23.641 -8.643) 27.947 15.396 ( -17.783 22.275 6.508) 29.236 15.603 ( 19.127 19.010 -1.749) 27.024 16.315 ( 10.533 -11.101 -1.538) 15.380 16.796 ( -11.488 -24.494 -1.930) 27.123 ======================= Grid point 178 (105/156) ======================= q-point: ( 0.15 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 3.357 9.938 0.000) 10.489 2.607 ( 34.045 11.444 -0.000) 35.917 3.390 ( -5.997 -5.838 0.000) 8.369 4.428 ( 6.326 -9.497 -0.000) 11.411 4.888 ( 1.301 3.843 0.000) 4.057 5.243 ( -8.442 -17.694 -0.000) 19.604 5.706 ( -3.196 -10.989 -0.000) 11.444 5.750 ( -1.597 15.318 0.000) 15.401 5.898 ( 1.491 -2.254 -0.000) 2.702 6.286 ( 5.206 8.086 0.000) 9.617 7.051 ( 4.367 8.702 0.000) 9.737 7.268 ( -4.360 0.454 0.000) 4.383 7.683 ( -13.867 -1.247 0.000) 13.923 7.786 ( -16.229 10.716 0.000) 19.447 7.983 ( 8.737 -1.311 -0.000) 8.835 8.166 ( -7.793 -13.479 -0.000) 15.569 9.039 ( -1.133 -17.343 -0.000) 17.380 9.108 ( -4.482 -2.058 0.000) 4.932 9.500 ( 5.459 0.885 -0.000) 5.530 9.530 ( -6.676 -1.735 0.000) 6.898 10.236 ( -7.107 24.732 0.000) 25.733 10.381 ( -12.763 7.963 0.000) 15.044 10.843 ( 10.716 0.137 -0.000) 10.717 11.594 ( 6.898 3.644 -0.000) 7.801 11.696 ( 16.098 0.935 -0.000) 16.125 11.809 ( 19.054 -4.773 -0.000) 19.643 11.989 ( -3.603 -13.588 -0.000) 14.058 12.950 ( 16.137 -4.435 -0.000) 16.736 13.093 ( -2.126 -0.905 0.000) 2.311 14.373 ( 1.435 4.329 0.000) 4.561 14.448 ( 15.019 -4.605 -0.000) 15.709 14.715 ( -25.829 7.013 0.000) 26.764 14.902 ( 4.131 -7.221 -0.000) 8.319 15.513 ( -16.067 20.976 0.000) 26.422 15.791 ( 8.705 4.292 -0.000) 9.705 17.919 ( -17.839 -13.878 0.000) 22.602 ======================= Grid point 180 (106/156) ======================= q-point: ( 0.15 0.25 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -3.477 -6.079 8.214) 10.795 3.335 ( 5.797 4.953 7.922) 10.996 4.069 ( -18.302 -5.694 3.952) 19.570 4.509 ( -3.024 9.685 5.121) 11.365 4.776 ( -0.685 0.717 -4.603) 4.709 5.028 ( 7.620 -4.682 0.635) 8.966 5.542 ( -4.326 8.858 -3.331) 10.405 5.871 ( -11.614 -2.505 -7.829) 14.229 6.039 ( 10.500 -6.073 5.523) 13.328 6.321 ( 0.849 -10.847 -1.108) 10.937 6.465 ( 3.088 12.369 -4.609) 13.557 6.756 ( 16.102 -2.927 -4.412) 16.950 7.400 ( -6.192 -5.610 2.578) 8.744 7.497 ( -1.774 5.217 6.502) 8.523 8.135 ( -4.102 11.082 -4.868) 12.781 8.382 ( 3.176 -11.185 -7.248) 13.701 8.449 ( -4.747 4.237 2.494) 6.834 8.981 ( 4.632 -2.604 -12.312) 13.410 9.012 ( 13.616 9.187 7.588) 18.094 9.245 ( 13.477 -7.991 -6.062) 16.800 10.378 ( -8.048 3.520 8.048) 11.913 10.575 ( 2.791 -6.269 11.079) 13.032 11.438 ( -5.072 -3.584 -2.257) 6.608 11.625 ( 5.259 1.792 -8.582) 10.224 11.995 ( -18.138 -0.442 3.141) 18.413 12.358 ( -11.853 3.291 -0.277) 12.305 12.847 ( -15.994 -0.594 4.364) 16.589 13.242 ( 6.326 10.338 5.122) 13.158 13.329 ( -9.304 -11.649 0.311) 14.912 13.521 ( -4.322 4.108 -9.991) 11.635 13.912 ( 24.428 14.082 7.917) 29.286 14.231 ( 21.709 -15.187 -7.616) 27.567 15.447 ( -15.332 8.212 2.941) 17.640 15.624 ( -25.939 -8.596 -5.476) 27.869 16.190 ( 9.979 -7.451 10.074) 16.018 16.842 ( 24.838 7.394 -5.484) 26.489 ======================= Grid point 183 (107/156) ======================= q-point: ( 0.15 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 6.844 10.160 0.000) 12.250 3.089 ( -7.725 -7.423 0.000) 10.713 3.519 ( 32.172 10.788 -0.000) 33.933 4.263 ( 2.176 -11.836 -0.000) 12.035 4.702 ( -4.443 -22.804 -0.000) 23.233 5.018 ( 2.274 5.407 0.000) 5.866 5.538 ( -5.110 -0.117 0.000) 5.111 5.839 ( 6.131 -9.524 -0.000) 11.327 6.053 ( 1.260 12.056 0.000) 12.121 6.572 ( 5.006 7.005 0.000) 8.610 6.970 ( -15.492 -2.976 0.000) 15.776 7.033 ( -4.652 -10.201 -0.000) 11.212 7.393 ( -15.704 2.178 0.000) 15.855 7.557 ( -10.178 3.625 0.000) 10.804 8.005 ( 3.013 -0.943 -0.000) 3.157 8.108 ( 6.526 -1.527 -0.000) 6.702 8.714 ( -0.769 -9.839 -0.000) 9.869 9.038 ( -1.120 0.003 0.000) 1.120 9.393 ( -1.487 -4.286 -0.000) 4.537 9.622 ( 1.081 2.770 0.000) 2.974 10.340 ( -12.623 15.286 0.000) 19.824 10.550 ( -11.087 24.046 0.000) 26.479 11.312 ( 27.584 -5.975 -0.000) 28.223 11.707 ( -1.243 -6.604 -0.000) 6.720 11.722 ( 6.852 -3.816 -0.000) 7.843 12.002 ( 8.389 3.494 -0.000) 9.088 12.256 ( 24.582 5.656 -0.000) 25.225 13.028 ( -0.629 -4.927 -0.000) 4.967 13.113 ( 6.538 -2.470 -0.000) 6.989 13.721 ( -24.365 -15.119 0.000) 28.674 14.312 ( -24.916 5.747 0.000) 25.570 14.545 ( 14.096 -22.824 -0.000) 26.826 15.246 ( -2.833 18.216 0.000) 18.435 15.920 ( 0.069 -1.947 -0.000) 1.948 15.995 ( 13.862 30.272 0.000) 33.295 17.256 ( -21.690 -10.414 0.000) 24.061 ======================= Grid point 187 (108/156) ======================= q-point: ( 0.15 0.65 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 18.236 8.804 2.443) 20.396 2.812 ( 4.740 8.235 -20.557) 22.647 3.418 ( -3.719 -10.098 -5.050) 11.887 4.127 ( -1.035 -0.809 7.530) 7.644 4.629 ( -0.299 -25.204 -3.130) 25.400 5.107 ( 6.716 -11.338 -20.218) 24.133 5.660 ( -6.314 3.443 13.028) 14.881 5.827 ( -5.403 -5.652 7.611) 10.911 6.014 ( 11.083 1.056 2.771) 11.473 6.373 ( -3.168 10.976 -8.830) 14.439 6.963 ( 4.838 5.003 4.241) 8.150 7.261 ( 6.463 -2.024 26.608) 27.456 7.335 ( -7.470 -13.272 -2.053) 15.367 7.988 ( -11.350 0.284 8.478) 14.170 8.065 ( -1.419 -0.485 -5.987) 6.172 8.581 ( -10.210 1.807 -14.558) 17.873 8.789 ( 4.651 -10.790 -9.232) 14.942 8.958 ( 0.395 -5.920 8.782) 10.598 9.207 ( 4.153 -7.136 2.750) 8.703 10.041 ( -10.444 0.451 -17.709) 20.565 10.644 ( 0.033 10.588 0.735) 10.614 10.779 ( -5.711 15.069 4.212) 16.656 10.887 ( 3.280 6.424 8.612) 11.233 11.166 ( -1.379 -3.260 0.677) 3.604 11.451 ( 14.173 4.796 1.105) 15.003 11.711 ( 5.278 -1.107 -12.754) 13.848 11.939 ( -5.744 -1.952 -0.610) 6.098 12.730 ( 8.483 9.652 3.851) 13.414 13.329 ( -12.786 9.458 4.040) 16.409 13.789 ( 23.892 -4.240 0.147) 24.266 14.439 ( 7.670 0.071 1.273) 7.776 14.870 ( -9.890 1.491 3.051) 10.456 15.234 ( -17.231 1.050 6.344) 18.392 15.373 ( 10.880 4.605 8.012) 14.275 16.405 ( -5.445 7.665 -17.912) 20.229 17.856 ( -7.726 -13.586 2.733) 15.866 ======================= Grid point 188 (109/156) ======================= q-point: ( 0.15 -0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -8.239 -6.098 0.000) 10.250 3.107 ( 7.844 8.536 0.000) 11.593 4.042 ( -8.879 -22.740 -0.000) 24.412 4.228 ( 7.573 -9.322 -0.000) 12.010 4.391 ( 30.404 12.778 -0.000) 32.980 5.152 ( 1.737 2.353 0.000) 2.925 5.437 ( -7.339 3.476 0.000) 8.121 5.607 ( -3.483 -17.318 -0.000) 17.665 6.333 ( 7.261 5.743 -0.000) 9.258 6.740 ( 0.984 -4.840 -0.000) 4.939 6.749 ( -4.207 9.390 0.000) 10.290 6.798 ( -1.475 3.022 0.000) 3.363 7.064 ( -15.890 -4.353 0.000) 16.475 7.526 ( -5.767 7.921 0.000) 9.798 8.086 ( 1.484 1.616 0.000) 2.194 8.185 ( 4.425 -1.467 -0.000) 4.662 8.774 ( 11.189 6.015 -0.000) 12.703 9.058 ( 3.277 -0.429 -0.000) 3.305 9.278 ( -0.091 -5.739 -0.000) 5.740 9.670 ( -1.742 3.573 0.000) 3.975 10.456 ( -10.328 18.371 0.000) 21.075 10.732 ( -16.111 20.205 0.000) 25.841 11.403 ( 13.424 -19.871 -0.000) 23.981 11.662 ( 2.717 -7.540 -0.000) 8.015 11.740 ( 8.960 -9.536 -0.000) 13.084 12.053 ( -5.269 -7.470 -0.000) 9.141 12.603 ( -20.335 -9.571 0.000) 22.475 12.903 ( 11.311 8.385 -0.000) 14.080 13.232 ( 15.535 3.447 -0.000) 15.913 13.310 ( 6.862 -6.758 -0.000) 9.632 14.014 ( -14.468 5.092 0.000) 15.338 14.389 ( 11.513 -16.692 -0.000) 20.278 15.397 ( -13.530 16.415 0.000) 21.273 15.647 ( -14.302 -10.646 0.000) 17.829 16.732 ( -16.971 -1.947 0.000) 17.082 16.990 ( 22.698 26.795 0.000) 35.117 ======================= Grid point 192 (110/156) ======================= q-point: ( 0.15 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 17.222 2.943 -0.226) 17.473 3.108 ( -5.317 -7.843 -1.404) 9.579 3.273 ( 22.113 8.914 -18.734) 30.322 4.017 ( -1.942 -10.507 -1.347) 10.769 4.123 ( 1.253 -18.788 7.341) 20.210 5.094 ( 9.118 -6.864 -15.613) 19.340 5.485 ( 0.667 -12.503 7.002) 14.345 5.677 ( -9.004 5.304 11.499) 15.538 6.303 ( 8.233 4.560 2.017) 9.625 6.513 ( -0.074 4.778 -4.367) 6.473 6.891 ( -2.948 -13.312 -4.525) 14.366 6.979 ( -4.424 -2.549 7.626) 9.177 7.337 ( 1.937 -2.870 16.962) 17.312 7.801 ( -10.275 3.896 5.341) 12.218 8.036 ( -2.745 5.890 -2.484) 6.956 8.315 ( -8.971 -1.828 -13.896) 16.641 8.691 ( 2.149 -6.044 -11.934) 13.549 8.884 ( 2.919 -2.664 6.756) 7.827 9.197 ( 3.358 -6.405 7.044) 10.095 9.866 ( -5.679 -0.218 -13.959) 15.072 10.723 ( 8.076 -7.055 -2.335) 10.975 10.826 ( -10.001 10.247 7.750) 16.282 11.109 ( -6.359 13.394 -2.051) 14.968 11.443 ( 16.573 2.852 13.276) 21.426 11.550 ( 3.429 -7.004 -1.382) 7.920 12.002 ( 3.734 8.763 -9.012) 13.113 12.205 ( 19.050 19.609 -5.398) 27.867 12.874 ( -5.229 0.612 10.350) 11.612 13.300 ( -8.405 7.896 -6.770) 13.373 13.921 ( 1.346 -10.645 -1.105) 10.786 13.993 ( -19.288 -11.852 1.076) 22.664 14.806 ( -21.380 -1.743 3.969) 21.815 15.290 ( 15.810 11.791 6.289) 20.701 15.724 ( 11.878 6.892 6.651) 15.258 16.462 ( -3.194 8.251 -2.325) 9.148 17.413 ( -10.456 -9.745 -7.301) 16.050 ======================= Grid point 193 (111/156) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -8.783 -3.348 0.000) 9.400 3.170 ( -15.533 -31.476 -0.000) 35.100 3.399 ( 8.392 0.200 -0.000) 8.394 4.353 ( 4.757 3.478 -0.000) 5.893 4.913 ( -6.634 -18.617 -0.000) 19.764 5.184 ( 23.286 8.243 -0.000) 24.702 5.423 ( -10.735 12.357 0.000) 16.369 5.464 ( 4.804 7.312 0.000) 8.749 6.452 ( 7.648 -6.359 -0.000) 9.946 6.462 ( -19.849 -3.330 0.000) 20.126 6.596 ( 1.530 -15.205 -0.000) 15.282 7.049 ( -1.427 11.044 0.000) 11.136 7.122 ( 3.823 14.428 0.000) 14.926 7.709 ( -0.256 21.538 0.000) 21.539 8.115 ( -0.580 -0.805 -0.000) 0.993 8.247 ( 5.480 -1.092 -0.000) 5.588 9.106 ( 3.027 -2.757 -0.000) 4.095 9.125 ( 2.510 -0.358 -0.000) 2.536 9.282 ( 12.703 5.797 -0.000) 13.964 9.745 ( 0.074 6.948 0.000) 6.948 10.623 ( -23.854 6.883 0.000) 24.828 10.638 ( -8.682 17.983 0.000) 19.969 11.138 ( 6.474 -27.684 -0.000) 28.431 11.451 ( -8.771 -4.581 0.000) 9.895 11.561 ( -9.639 -10.380 -0.000) 14.165 11.734 ( 7.763 -7.156 -0.000) 10.559 12.296 ( -1.789 -3.979 -0.000) 4.363 12.972 ( 6.870 -8.240 -0.000) 10.728 13.345 ( 15.674 -17.114 -0.000) 23.207 13.708 ( 0.141 6.543 0.000) 6.545 14.053 ( 13.741 6.637 -0.000) 15.260 14.402 ( 5.684 1.741 -0.000) 5.945 15.072 ( -21.011 -6.051 0.000) 21.865 15.403 ( -14.757 12.518 0.000) 19.351 16.426 ( -12.630 -1.099 0.000) 12.677 17.890 ( 19.530 19.311 -0.000) 27.465 ======================= Grid point 196 (112/156) ======================= q-point: ( 0.15 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 21.592 -2.332 18.310) 28.406 2.648 ( 1.763 -23.900 18.560) 30.312 3.663 ( 7.982 6.253 -26.340) 28.225 3.850 ( -3.851 -13.276 -18.271) 22.911 4.122 ( -5.442 0.810 15.208) 16.172 4.848 ( -1.860 -10.698 9.536) 14.451 5.212 ( 7.772 -10.614 -18.182) 22.442 5.510 ( 0.212 0.865 21.267) 21.286 5.799 ( 10.057 -11.619 -0.645) 15.380 6.576 ( 5.734 -8.148 7.026) 12.192 6.964 ( -0.410 4.676 -4.242) 6.327 6.987 ( -1.270 8.964 0.912) 9.100 7.150 ( -5.859 -5.131 -8.937) 11.854 7.788 ( -5.182 2.615 20.699) 21.498 8.321 ( -2.862 5.519 -8.586) 10.600 8.491 ( 2.216 -7.821 3.349) 8.792 8.720 ( -2.627 1.057 -6.540) 7.127 8.783 ( 7.867 -8.782 -3.611) 12.331 9.032 ( 0.378 -4.398 -28.453) 28.794 10.338 ( -13.058 -0.975 -8.432) 15.574 10.626 ( -4.793 -1.943 0.263) 5.179 10.766 ( 15.544 -0.402 5.917) 16.637 11.059 ( -1.686 3.104 3.044) 4.663 11.235 ( 7.142 -2.050 4.204) 8.537 11.599 ( -5.715 8.656 2.494) 10.668 12.205 ( 6.983 9.858 -12.329) 17.261 12.684 ( -9.970 27.716 9.704) 31.012 12.881 ( -10.055 5.625 4.199) 12.263 13.410 ( 15.197 -1.463 -1.375) 15.329 13.887 ( -8.079 3.687 5.822) 10.619 14.479 ( -28.103 8.691 3.606) 29.637 14.819 ( 3.850 -0.527 9.335) 10.111 15.054 ( 3.712 -0.700 7.162) 8.097 15.531 ( 10.135 7.191 2.000) 12.587 16.324 ( -0.430 -11.435 12.867) 17.219 17.646 ( 1.603 -9.911 -22.656) 24.781 ======================= Grid point 197 (113/156) ======================= q-point: ( 0.15 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -2.576 -11.792 2.089) 12.250 3.173 ( 10.936 -0.092 -13.973) 17.744 3.530 ( -0.299 -23.866 6.171) 24.653 3.974 ( 10.861 0.664 -2.250) 11.111 4.123 ( 20.358 9.942 -7.270) 23.794 5.125 ( 6.579 -10.876 -15.286) 19.881 5.306 ( -0.478 -1.383 13.650) 13.728 5.684 ( -0.104 4.646 6.404) 7.913 6.376 ( -4.210 -1.423 -5.458) 7.038 6.538 ( -0.993 -9.078 1.737) 9.296 6.659 ( -0.368 0.921 8.694) 8.751 6.994 ( 8.605 8.408 -3.440) 12.513 7.243 ( -7.118 -1.757 7.157) 10.246 7.812 ( -4.256 9.957 0.444) 10.838 8.116 ( -3.476 1.725 -2.484) 4.608 8.254 ( -0.417 5.631 -1.381) 5.813 8.683 ( 4.856 1.624 5.094) 7.223 8.909 ( 5.387 -3.601 -7.411) 9.845 9.146 ( 4.356 -4.993 1.134) 6.722 9.818 ( 0.405 0.877 -9.598) 9.647 10.714 ( 8.440 -10.653 -0.240) 13.593 10.854 ( -6.332 9.377 8.165) 13.953 11.168 ( -5.208 3.647 -5.735) 8.562 11.507 ( 2.413 -1.112 5.096) 5.747 11.698 ( 1.442 0.279 9.848) 9.957 12.172 ( -0.075 -1.550 -12.117) 12.216 12.662 ( -8.082 -4.403 11.369) 14.627 12.923 ( -5.757 2.942 2.618) 6.975 13.075 ( -12.599 -5.230 -5.164) 14.586 13.223 ( 1.377 2.296 -10.099) 10.448 14.081 ( 1.568 3.114 5.535) 6.541 14.429 ( -10.076 3.607 -3.740) 11.337 15.538 ( -3.708 2.390 10.859) 11.722 15.841 ( -5.643 -3.905 -1.171) 6.961 16.719 ( 7.048 3.013 11.203) 13.574 17.247 ( 3.460 9.190 -14.606) 17.600 ======================= Grid point 198 (114/156) ======================= q-point: ( 0.15 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -16.192 -36.196 -0.000) 39.652 2.220 ( -15.901 -3.639 0.000) 16.312 3.542 ( -0.624 3.540 0.000) 3.594 4.475 ( -3.245 6.305 0.000) 7.090 4.534 ( 2.109 -10.633 -0.000) 10.840 5.405 ( -26.810 21.322 0.000) 34.255 5.584 ( 5.850 6.563 0.000) 8.792 5.884 ( 13.926 9.562 -0.000) 16.893 5.978 ( -9.090 -11.118 -0.000) 14.361 6.348 ( -3.348 -13.063 -0.000) 13.485 6.474 ( 12.526 -10.696 -0.000) 16.472 7.182 ( -6.158 10.519 0.000) 12.188 7.203 ( -7.484 1.342 0.000) 7.603 7.941 ( -7.525 -6.291 0.000) 9.808 8.185 ( 6.758 3.672 -0.000) 7.691 8.585 ( 10.049 25.309 0.000) 27.231 9.023 ( -5.185 -3.743 0.000) 6.395 9.125 ( 0.269 -1.428 -0.000) 1.453 9.665 ( 11.867 2.321 -0.000) 12.092 9.947 ( 2.929 6.553 0.000) 7.177 10.251 ( -13.347 0.960 0.000) 13.381 10.632 ( 1.304 -18.661 -0.000) 18.706 10.832 ( -8.149 13.269 0.000) 15.571 11.149 ( -1.656 -14.597 -0.000) 14.691 11.389 ( -2.234 1.024 0.000) 2.458 11.825 ( 8.087 3.067 -0.000) 8.649 12.307 ( 11.308 -5.503 -0.000) 12.576 12.970 ( -0.102 0.708 0.000) 0.715 13.223 ( 19.493 -27.950 -0.000) 34.076 13.613 ( -1.796 -8.295 -0.000) 8.487 14.382 ( -6.054 5.444 0.000) 8.141 14.646 ( -2.132 16.778 0.000) 16.913 14.825 ( 3.882 6.111 0.000) 7.239 15.294 ( -14.447 5.281 0.000) 15.382 16.141 ( -9.721 -5.061 0.000) 10.959 18.523 ( 14.613 9.117 -0.000) 17.224 ======================= Grid point 201 (115/156) ======================= q-point: ( 0.15 0.45 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 1.166 -21.525 19.790) 29.263 2.623 ( 23.934 -1.958 20.292) 31.439 3.566 ( -3.198 -4.333 -23.435) 24.046 4.032 ( 12.259 -1.042 -20.918) 24.268 4.164 ( 4.655 6.490 9.773) 12.621 4.822 ( 9.660 2.826 18.060) 20.675 5.168 ( 7.248 -8.587 -22.501) 25.150 5.471 ( -0.643 -1.837 13.682) 13.819 5.861 ( 13.238 -8.727 6.862) 17.277 6.570 ( 4.666 -6.359 1.338) 7.999 6.859 ( -3.499 1.744 5.974) 7.139 6.978 ( -11.885 4.370 -9.374) 15.755 7.199 ( 7.582 2.094 -4.123) 8.881 7.936 ( 3.943 9.309 20.528) 22.882 8.301 ( -6.255 -4.781 0.820) 7.915 8.457 ( 3.893 7.503 -3.761) 9.252 8.470 ( -10.323 -4.839 -12.358) 16.813 8.851 ( 11.002 -6.665 -3.256) 13.269 9.126 ( 7.961 -0.023 -26.829) 27.986 10.165 ( -10.569 8.392 -1.888) 13.627 10.612 ( 2.638 0.753 -6.042) 6.636 10.895 ( -2.252 3.839 8.079) 9.224 11.046 ( 10.377 -11.539 8.337) 17.616 11.364 ( 5.842 -5.105 -4.265) 8.853 11.553 ( -7.804 2.711 -1.723) 8.440 12.406 ( -6.876 -5.644 -5.705) 10.568 12.616 ( -7.345 14.731 10.312) 19.424 13.176 ( -15.412 3.686 8.082) 17.788 13.306 ( -20.920 -9.710 0.660) 23.073 13.531 ( 2.947 7.157 -1.354) 7.857 14.280 ( -19.333 13.726 9.642) 25.595 14.689 ( -1.812 6.384 -0.883) 6.695 15.331 ( 7.578 -1.146 7.402) 10.655 15.720 ( -2.739 -9.518 3.890) 10.640 16.255 ( 13.611 0.467 15.444) 20.591 17.617 ( 8.094 -1.425 -22.984) 24.409 ======================= Grid point 202 (116/156) ======================= q-point: ( 0.15 0.65 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -1.036 -19.329 7.640) 20.810 2.885 ( -9.815 -13.111 -16.403) 23.180 3.471 ( 8.580 1.343 -6.125) 10.627 4.147 ( 4.454 1.752 9.017) 10.208 4.822 ( 25.573 -2.520 -10.720) 27.843 4.910 ( 2.548 -4.509 -18.054) 18.782 5.425 ( -0.839 10.717 13.359) 17.147 5.842 ( 6.687 3.571 2.351) 7.937 6.225 ( 0.699 -9.940 0.552) 9.980 6.331 ( -8.193 -0.032 -3.228) 8.806 6.784 ( 2.817 6.313 17.792) 19.088 6.979 ( -16.162 1.899 2.146) 16.414 7.470 ( 11.577 7.460 -6.305) 15.147 7.900 ( -2.450 4.977 1.938) 5.876 8.204 ( 3.390 9.030 -1.220) 9.722 8.334 ( 1.133 6.164 1.349) 6.411 8.791 ( 2.511 -3.614 5.972) 7.418 9.037 ( 9.082 -2.447 -3.067) 9.893 9.206 ( 9.679 0.435 -7.617) 12.324 9.938 ( 3.640 7.360 -7.868) 11.372 10.605 ( -1.124 -8.223 2.932) 8.803 10.939 ( -3.377 6.356 6.277) 9.550 11.056 ( -7.217 -2.945 -3.787) 8.666 11.291 ( -17.403 -15.523 4.673) 23.784 11.598 ( 3.097 2.416 4.692) 6.119 11.905 ( -13.385 -7.571 -10.604) 18.679 12.438 ( 9.120 -22.784 6.084) 25.284 12.474 ( -14.561 1.033 1.351) 14.660 12.899 ( -1.876 6.336 -3.552) 7.502 13.795 ( 3.830 6.984 -0.399) 7.975 13.927 ( 1.282 1.964 5.147) 5.656 14.683 ( 3.044 17.166 -5.655) 18.328 15.277 ( -13.521 -5.025 5.034) 15.278 15.657 ( -5.948 -2.185 6.168) 8.843 16.653 ( -4.986 -5.595 -9.860) 12.385 17.777 ( 16.640 11.748 2.673) 20.544 ======================= Grid point 203 (117/156) ======================= q-point: ( 0.20 -0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -18.176 -13.077 0.000) 22.391 2.167 ( -16.829 -1.358 0.000) 16.883 3.586 ( 0.140 0.414 0.000) 0.437 4.397 ( 5.345 -2.717 -0.000) 5.995 4.625 ( -4.772 7.959 0.000) 9.280 5.710 ( 7.125 4.768 -0.000) 8.573 5.742 ( -17.821 -11.043 0.000) 20.965 5.924 ( -21.748 26.834 0.000) 34.541 6.030 ( 13.847 4.807 -0.000) 14.658 6.089 ( -4.961 -11.407 -0.000) 12.440 6.258 ( 11.562 -9.699 -0.000) 15.091 7.205 ( -9.579 -0.823 0.000) 9.614 7.403 ( -8.270 11.335 0.000) 14.032 7.825 ( -9.847 -4.896 0.000) 10.997 8.143 ( 7.394 -4.883 -0.000) 8.861 8.893 ( -1.814 -7.948 -0.000) 8.152 9.101 ( 11.660 19.902 0.000) 23.067 9.140 ( -1.743 2.634 0.000) 3.159 9.640 ( 7.775 -4.472 -0.000) 8.969 9.945 ( -2.604 -7.229 -0.000) 7.684 10.272 ( -6.678 1.794 0.000) 6.915 10.278 ( 5.846 -17.312 -0.000) 18.272 10.976 ( -0.041 6.802 0.000) 6.802 11.134 ( -13.289 10.878 0.000) 17.173 11.403 ( 7.119 3.014 -0.000) 7.731 11.864 ( 11.875 -15.037 -0.000) 19.161 12.192 ( 5.660 3.723 -0.000) 6.775 12.762 ( 19.829 -12.341 -0.000) 23.356 13.119 ( -6.875 11.306 0.000) 13.232 13.426 ( -0.496 -6.771 -0.000) 6.789 14.501 ( -7.781 4.848 0.000) 9.168 14.929 ( 7.446 4.370 -0.000) 8.634 15.023 ( -5.075 16.570 0.000) 17.330 15.299 ( -11.586 -3.053 0.000) 11.982 15.966 ( -7.093 -12.225 -0.000) 14.134 18.602 ( 13.410 -1.284 -0.000) 13.471 ======================= Grid point 205 (118/156) ======================= q-point: ( 0.20 0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -0.000 -0.000 31.237) 31.237 1.294 ( -0.000 -0.000 31.237) 31.237 2.845 ( -0.000 -0.000 67.563) 67.563 4.111 ( 0.000 0.000 -19.398) 19.398 4.111 ( 0.000 0.000 -19.398) 19.398 4.895 ( -0.000 -0.000 17.508) 17.508 5.305 ( 0.000 0.000 -17.733) 17.733 5.305 ( 0.000 0.000 -17.733) 17.733 5.466 ( 0.000 0.000 -1.126) 1.126 6.126 ( -0.000 -0.000 9.311) 9.311 7.200 ( -0.000 -0.000 27.639) 27.639 7.219 ( 0.000 0.000 -11.891) 11.891 7.219 ( 0.000 0.000 -11.891) 11.891 7.313 ( -0.000 -0.000 1.779) 1.779 8.419 ( 0.000 0.000 -8.993) 8.993 8.556 ( 0.000 0.000 -6.570) 6.570 8.556 ( 0.000 0.000 -6.570) 6.570 9.199 ( 0.000 0.000 -10.719) 10.719 9.676 ( 0.000 0.000 -33.497) 33.497 10.257 ( -0.000 -0.000 10.694) 10.694 10.257 ( -0.000 -0.000 10.694) 10.694 11.116 ( 0.000 0.000 -5.694) 5.694 11.116 ( 0.000 0.000 -5.694) 5.694 11.127 ( 0.000 0.000 -13.692) 13.692 11.803 ( -0.000 -0.000 3.380) 3.380 12.739 ( -0.000 -0.000 11.676) 11.676 12.739 ( -0.000 -0.000 11.676) 11.676 13.093 ( 0.000 0.000 -9.966) 9.966 13.572 ( -0.000 -0.000 3.920) 3.920 14.345 ( 0.000 0.000 -0.162) 0.162 14.609 ( -0.000 -0.000 8.251) 8.251 14.609 ( -0.000 -0.000 8.251) 8.251 15.037 ( -0.000 -0.000 22.643) 22.643 15.643 ( -0.000 -0.000 0.696) 0.696 15.643 ( -0.000 -0.000 0.696) 0.696 17.259 ( 0.000 0.000 -9.222) 9.222 ======================= Grid point 206 (119/156) ======================= q-point: ( 0.20 0.40 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 1.630 0.042 22.161) 22.221 2.619 ( 23.619 1.011 21.232) 31.776 3.549 ( -5.438 2.581 -25.035) 25.748 3.963 ( 13.579 -5.512 -21.754) 26.230 4.209 ( 3.729 -1.969 17.524) 18.025 4.890 ( 11.309 0.220 11.360) 16.031 5.085 ( 8.974 2.542 -20.102) 22.161 5.460 ( 0.624 2.066 15.533) 15.682 5.741 ( 11.079 -2.850 2.108) 11.632 6.512 ( 7.191 0.449 7.098) 10.114 6.893 ( -2.818 2.580 1.411) 4.073 7.034 ( -11.297 0.453 -4.407) 12.134 7.220 ( 5.688 -0.684 -7.443) 9.392 7.936 ( 2.549 -7.883 23.736) 25.140 8.342 ( 1.983 5.820 -7.128) 9.414 8.402 ( -5.652 -0.255 -7.127) 9.099 8.623 ( 4.352 8.389 -1.919) 9.644 8.743 ( 4.457 -3.082 -3.773) 6.602 9.097 ( 7.302 -3.359 -30.190) 31.242 10.408 ( -5.139 15.444 -0.464) 16.283 10.559 ( 4.582 -7.074 -9.739) 12.880 10.793 ( 6.847 -10.859 0.752) 12.859 11.015 ( -3.666 6.719 9.597) 12.276 11.238 ( 5.356 -6.334 -1.094) 8.367 11.617 ( -12.393 3.229 4.089) 13.443 12.218 ( -11.844 -8.267 -7.616) 16.329 12.930 ( -32.655 -10.386 9.336) 35.516 13.030 ( 4.522 14.197 3.524) 15.310 13.118 ( -11.125 -8.619 -0.689) 14.090 13.876 ( -4.070 13.119 9.547) 16.728 14.458 ( -17.683 9.838 4.408) 20.710 14.897 ( -0.387 6.355 8.221) 10.398 15.198 ( 2.515 -13.692 7.656) 15.887 15.470 ( -2.036 -8.195 -1.389) 8.558 16.295 ( 14.808 2.667 12.722) 19.704 17.613 ( 13.357 1.040 -21.877) 25.654 ======================= Grid point 207 (120/156) ======================= q-point: ( 0.20 0.60 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -7.190 -6.121 6.280) 11.340 2.773 ( -7.256 -0.854 -19.039) 20.393 3.470 ( 9.554 -1.376 -4.381) 10.600 4.156 ( 0.315 -0.992 9.360) 9.418 4.678 ( 18.746 -5.320 -11.874) 22.819 4.977 ( 15.318 5.721 -18.098) 24.391 5.667 ( -4.443 10.896 17.884) 21.408 5.827 ( 9.551 -2.269 5.411) 11.209 6.013 ( 1.744 -9.086 1.311) 9.344 6.400 ( -10.086 2.342 -8.933) 13.676 6.861 ( -5.766 3.492 2.109) 7.063 7.101 ( -4.324 8.562 21.188) 23.258 7.484 ( 12.642 -5.143 -0.209) 13.650 7.994 ( -0.933 4.488 -6.613) 8.047 8.210 ( 5.163 -6.691 7.654) 11.402 8.571 ( 1.818 12.525 -6.803) 14.369 8.737 ( 1.903 -1.496 -4.405) 5.026 8.961 ( 5.942 -3.110 6.092) 9.060 9.200 ( 13.929 -1.460 -5.521) 15.054 10.125 ( 1.902 6.115 -15.321) 16.606 10.535 ( -5.279 3.467 8.398) 10.508 10.918 ( -11.906 -10.962 1.530) 16.256 10.934 ( -12.933 -7.292 3.547) 15.264 11.176 ( -1.865 9.953 0.301) 10.130 11.467 ( 6.367 -18.480 -2.325) 19.684 11.725 ( -6.785 -4.680 -8.435) 11.794 12.095 ( 1.393 -10.720 3.152) 11.260 12.564 ( -16.420 7.236 3.493) 18.281 13.228 ( -0.121 22.695 1.342) 22.735 13.659 ( -13.102 -11.621 4.454) 18.070 14.176 ( 8.409 14.793 -0.558) 17.025 15.045 ( -3.500 15.313 4.364) 16.303 15.133 ( -3.239 -7.865 2.260) 8.801 15.530 ( -2.551 -10.497 5.282) 12.024 16.526 ( -5.756 -6.486 -14.358) 16.774 17.916 ( 15.541 1.934 3.247) 15.994 ======================= Grid point 225 (121/156) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 4.666 4.425 13.942) 15.354 3.422 ( -4.002 -1.917 4.460) 6.292 3.941 ( 16.452 5.924 5.474) 18.322 4.666 ( 7.778 5.035 -8.996) 12.914 4.748 ( -0.934 -5.405 4.842) 7.317 4.870 ( -7.902 8.737 -2.202) 11.985 5.521 ( 7.711 14.040 -7.653) 17.753 5.890 ( 1.083 -11.330 -11.517) 16.192 6.008 ( -5.134 -2.347 17.305) 18.203 6.253 ( 3.161 -2.567 -3.313) 5.250 6.639 ( -10.072 -0.154 -2.909) 10.485 6.796 ( -8.719 -8.888 0.974) 12.489 7.291 ( 2.122 4.305 5.369) 7.202 7.578 ( 3.037 -2.696 3.479) 5.348 8.049 ( -4.979 17.127 -9.083) 20.016 8.318 ( 8.174 -4.347 -3.425) 9.871 8.601 ( 1.187 -12.235 -9.503) 15.537 9.018 ( -12.479 -1.764 -0.265) 12.606 9.119 ( -4.753 -5.737 -6.691) 10.014 9.343 ( -11.369 -14.559 5.038) 19.147 10.277 ( 4.922 10.347 7.527) 13.710 10.586 ( 2.976 -4.589 11.940) 13.133 11.365 ( 7.936 3.513 3.805) 9.476 11.647 ( -0.027 2.235 -8.182) 8.482 11.878 ( 9.983 5.338 -2.670) 11.631 12.360 ( 1.557 8.901 2.218) 9.304 12.706 ( 6.693 11.576 4.339) 14.058 13.253 ( -3.390 2.934 0.119) 4.485 13.262 ( 7.206 -4.102 -5.920) 10.188 13.688 ( 3.567 -0.710 -8.021) 8.808 13.981 ( -14.856 -6.311 -6.295) 17.325 14.341 ( -16.277 -18.783 12.172) 27.675 15.116 ( 25.030 20.051 -4.949) 32.451 15.759 ( -9.202 12.659 9.150) 18.129 16.012 ( 9.825 -7.810 9.235) 15.583 17.152 ( -19.297 -19.478 -10.690) 29.428 ======================= Grid point 228 (122/156) ======================= q-point: ( 0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 20.037 15.420 -0.000) 25.284 2.414 ( 0.814 9.233 0.000) 9.269 3.481 ( -3.055 -6.143 -0.000) 6.860 4.329 ( 2.518 -4.036 -0.000) 4.757 4.798 ( 7.318 -1.701 -0.000) 7.513 5.342 ( -1.511 -26.748 -0.000) 26.790 5.844 ( -9.947 -2.108 0.000) 10.168 5.848 ( -7.550 13.336 0.000) 15.325 5.934 ( -4.600 -0.238 0.000) 4.606 6.138 ( 9.197 0.772 -0.000) 9.230 6.831 ( 16.369 14.054 -0.000) 21.574 7.348 ( -3.053 5.204 0.000) 6.033 7.734 ( 10.667 3.521 -0.000) 11.233 7.880 ( -7.086 -5.812 0.000) 9.165 8.084 ( -6.778 17.268 0.000) 18.550 8.426 ( -15.855 -15.812 0.000) 22.392 8.996 ( 4.913 -18.038 -0.000) 18.695 9.203 ( -2.283 -1.045 0.000) 2.511 9.388 ( 2.508 -7.330 -0.000) 7.747 9.761 ( -13.867 0.881 0.000) 13.895 10.342 ( -3.699 24.168 0.000) 24.449 10.445 ( 0.748 8.797 0.000) 8.828 11.010 ( -19.730 -8.045 0.000) 21.308 11.257 ( 20.830 -1.624 -0.000) 20.893 11.493 ( 9.433 -6.282 -0.000) 11.333 11.513 ( 5.464 5.908 0.000) 8.047 12.102 ( -6.951 -11.180 -0.000) 13.165 12.630 ( 15.310 1.262 -0.000) 15.362 13.230 ( -10.677 5.059 0.000) 11.815 13.781 ( 30.551 6.576 -0.000) 31.250 14.530 ( 2.642 -7.872 -0.000) 8.303 14.909 ( -4.923 -0.597 0.000) 4.959 15.160 ( -16.658 7.244 0.000) 18.165 15.542 ( 14.643 2.420 -0.000) 14.842 15.844 ( -15.920 13.381 0.000) 20.797 18.203 ( -9.991 -14.566 -0.000) 17.664 ======================= Grid point 230 (123/156) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( -3.670 -6.969 8.123) 11.315 3.224 ( 3.670 6.969 8.123) 11.315 4.381 ( -8.428 -12.580 0.384) 15.147 4.381 ( 8.428 12.580 0.384) 15.147 4.882 ( 3.007 -7.141 1.495) 7.891 4.882 ( -3.007 7.141 1.495) 7.891 5.736 ( 4.190 -12.222 -1.344) 12.990 5.736 ( -4.190 12.222 -1.344) 12.990 6.201 ( -3.899 -15.145 -2.984) 15.921 6.201 ( 3.899 15.145 -2.984) 15.921 6.480 ( -1.845 -6.678 -2.429) 7.342 6.480 ( 1.845 6.678 -2.429) 7.342 7.497 ( -2.368 -6.780 5.971) 9.339 7.497 ( 2.368 6.780 5.971) 9.339 8.254 ( 3.854 -12.503 -4.482) 13.830 8.254 ( -3.854 12.503 -4.482) 13.830 8.679 ( -7.562 -6.610 -2.019) 10.245 8.679 ( 7.562 6.610 -2.019) 10.245 9.036 ( -3.136 -0.328 -5.918) 6.706 9.036 ( 3.136 0.328 -5.918) 6.706 10.505 ( 1.579 -8.386 10.906) 13.848 10.505 ( -1.579 8.386 10.906) 13.848 11.526 ( -4.217 -2.624 -7.478) 8.977 11.526 ( 4.217 2.624 -7.478) 8.977 12.336 ( -7.503 -7.886 0.603) 10.902 12.336 ( 7.503 7.886 0.603) 10.902 13.121 ( -7.180 -9.808 2.735) 12.459 13.121 ( 7.180 9.808 2.735) 12.459 13.503 ( -12.358 -13.688 9.301) 20.654 13.503 ( 12.358 13.688 9.301) 20.654 13.798 ( 10.219 -17.050 -9.931) 22.221 13.798 ( -10.219 17.050 -9.931) 22.221 15.751 ( 2.053 -8.310 3.629) 9.297 15.751 ( -2.053 8.310 3.629) 9.297 16.335 ( -19.796 -16.605 -2.905) 26.001 16.335 ( 19.796 16.605 -2.905) 26.001 ======================= Grid point 234 (124/156) ======================= q-point: ( 0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 5.137 8.008 0.000) 9.514 2.851 ( 30.936 12.563 -0.000) 33.390 3.243 ( -5.592 -8.304 -0.000) 10.011 4.223 ( 1.159 -10.278 -0.000) 10.343 4.759 ( -1.069 -27.007 -0.000) 27.028 4.919 ( 7.788 -0.289 -0.000) 7.793 5.684 ( -9.032 4.688 0.000) 10.176 5.757 ( 1.195 -8.002 -0.000) 8.091 6.075 ( -3.353 13.155 0.000) 13.575 6.422 ( 10.099 4.975 -0.000) 11.258 7.136 ( 0.175 -0.030 -0.000) 0.178 7.140 ( -7.010 -13.040 -0.000) 14.805 7.665 ( -9.309 -0.884 0.000) 9.350 7.875 ( -17.317 -3.038 0.000) 17.582 7.976 ( 3.701 3.067 -0.000) 4.807 8.012 ( -4.834 -0.986 0.000) 4.933 8.726 ( 0.736 -12.889 -0.000) 12.910 9.065 ( -1.593 -2.831 -0.000) 3.248 9.511 ( -10.470 -0.670 0.000) 10.492 9.533 ( 7.947 0.702 -0.000) 7.978 10.606 ( -11.291 13.792 0.000) 17.824 10.724 ( -6.929 22.365 0.000) 23.414 10.842 ( 14.253 -1.961 -0.000) 14.388 11.615 ( 3.936 -2.531 -0.000) 4.680 11.711 ( 21.284 2.074 -0.000) 21.385 11.748 ( 7.281 -5.458 -0.000) 9.099 11.827 ( 7.975 5.712 -0.000) 9.809 12.956 ( 8.700 3.939 -0.000) 9.550 13.101 ( -9.054 1.696 0.000) 9.211 14.176 ( -1.002 -15.033 -0.000) 15.066 14.283 ( -4.471 -13.414 -0.000) 14.139 14.826 ( -24.900 3.504 0.000) 25.146 15.046 ( 17.394 15.884 -0.000) 23.555 15.824 ( 9.559 -0.518 -0.000) 9.573 15.969 ( -7.433 23.074 0.000) 24.242 17.642 ( -16.309 -13.852 0.000) 21.397 ======================= Grid point 239 (125/156) ======================= q-point: ( 0.20 0.80 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 8.759 6.495 -0.000) 10.904 2.934 ( -7.319 -7.743 -0.000) 10.654 3.746 ( 33.065 11.260 -0.000) 34.930 4.079 ( 5.874 -8.494 -0.000) 10.328 4.192 ( -4.953 -24.772 -0.000) 25.262 5.075 ( 6.421 -0.460 -0.000) 6.438 5.607 ( -9.382 5.514 0.000) 10.882 5.622 ( 2.272 -11.314 -0.000) 11.540 6.241 ( 0.703 6.722 0.000) 6.759 6.647 ( 6.524 2.099 -0.000) 6.854 6.800 ( 0.109 -12.161 -0.000) 12.162 6.912 ( -10.505 -1.208 0.000) 10.574 7.417 ( -15.636 -0.357 0.000) 15.640 7.650 ( -7.194 6.404 0.000) 9.632 8.067 ( 0.821 6.176 0.000) 6.230 8.100 ( 4.815 -0.281 -0.000) 4.823 8.609 ( 4.878 -0.462 -0.000) 4.900 9.003 ( 1.817 -3.563 -0.000) 3.999 9.321 ( -4.971 -3.034 0.000) 5.824 9.646 ( 4.406 -0.577 -0.000) 4.444 10.671 ( -10.846 15.801 0.000) 19.165 10.957 ( -6.822 14.632 0.000) 16.144 11.043 ( 19.234 -16.960 -0.000) 25.644 11.608 ( 4.534 -5.345 -0.000) 7.009 11.681 ( -3.615 4.984 0.000) 6.157 12.076 ( 5.902 1.249 -0.000) 6.033 12.536 ( 21.593 20.075 -0.000) 29.483 12.911 ( -7.985 -5.732 0.000) 9.829 13.085 ( 2.668 -2.336 -0.000) 3.546 13.408 ( -21.763 -16.629 0.000) 27.389 14.168 ( 10.834 -12.043 -0.000) 16.199 14.387 ( -21.759 1.809 0.000) 21.834 15.566 ( -0.878 13.098 0.000) 13.128 15.836 ( -4.022 -5.487 -0.000) 6.804 16.578 ( 16.155 27.223 0.000) 31.655 17.063 ( -15.747 -9.383 0.000) 18.331 ======================= Grid point 244 (126/156) ======================= q-point: ( 0.20 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 17.601 4.576 8.688) 20.154 2.991 ( 7.394 8.208 -23.108) 25.613 3.214 ( -4.532 -9.234 2.542) 10.595 4.067 ( 1.034 -27.375 -0.001) 27.395 4.126 ( -5.879 -0.507 0.245) 5.906 4.899 ( 9.464 -9.686 -20.164) 24.290 5.506 ( -2.950 -13.124 6.636) 14.999 5.860 ( -8.376 1.827 9.778) 13.004 6.027 ( 15.616 0.589 12.870) 20.245 6.603 ( -4.847 11.606 -8.948) 15.436 6.962 ( -3.594 -15.763 5.713) 17.147 6.990 ( 2.599 -1.850 3.158) 4.489 7.263 ( 3.479 -2.854 13.792) 14.508 8.007 ( -8.121 1.278 3.213) 8.826 8.083 ( -1.723 2.220 -3.551) 4.528 8.522 ( -9.634 -6.930 -23.480) 26.308 8.608 ( 3.850 -6.881 -10.204) 12.896 8.847 ( 1.171 -4.101 12.592) 13.295 9.065 ( 8.460 -7.899 8.086) 14.119 10.041 ( -8.956 -0.076 -19.271) 21.250 10.658 ( -2.573 -4.310 -4.050) 6.450 10.961 ( 12.073 -0.406 11.193) 16.468 11.087 ( 0.225 6.661 8.272) 10.623 11.232 ( -4.640 10.289 -0.164) 11.288 11.526 ( 0.912 1.588 1.373) 2.289 11.759 ( 11.247 7.151 -13.271) 18.808 12.151 ( -8.125 24.494 0.514) 25.811 12.927 ( -0.550 8.580 6.603) 10.840 13.463 ( 2.533 -0.825 2.104) 3.394 13.745 ( -0.819 6.767 -1.682) 7.020 14.472 ( -7.637 0.774 2.500) 8.073 14.923 ( 4.546 5.098 4.598) 8.234 15.225 ( -16.353 -2.473 5.827) 17.535 15.457 ( 15.379 4.238 4.202) 16.497 16.526 ( -2.723 3.939 -5.623) 7.386 17.573 ( -4.947 -14.638 -4.760) 16.168 ======================= Grid point 245 (127/156) ======================= q-point: ( 0.20 -0.20 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -6.063 -5.025 0.000) 7.874 3.183 ( 10.769 -8.291 -0.000) 13.591 3.467 ( -11.945 -21.836 -0.000) 24.890 4.208 ( 8.665 3.179 -0.000) 9.229 4.612 ( 31.677 8.398 -0.000) 32.772 5.018 ( -1.585 -16.419 -0.000) 16.495 5.428 ( -1.202 2.103 0.000) 2.422 5.589 ( -7.095 10.864 0.000) 12.976 6.353 ( 2.966 -2.588 -0.000) 3.936 6.539 ( 0.790 -12.750 -0.000) 12.774 6.874 ( -4.854 0.924 0.000) 4.941 7.007 ( 5.714 14.202 0.000) 15.308 7.057 ( -10.463 6.247 0.000) 12.186 7.744 ( -2.794 13.001 0.000) 13.297 8.147 ( -3.083 4.203 0.000) 5.212 8.172 ( 3.360 0.111 -0.000) 3.362 8.943 ( 14.436 9.416 -0.000) 17.235 8.995 ( 6.282 -5.771 -0.000) 8.530 9.181 ( -1.728 -3.810 -0.000) 4.184 9.724 ( 2.969 1.971 -0.000) 3.564 10.800 ( -6.892 14.259 0.000) 15.838 10.952 ( 10.410 -20.463 -0.000) 22.958 11.010 ( -10.434 5.573 0.000) 11.829 11.609 ( 0.763 -2.119 -0.000) 2.253 11.683 ( -12.565 6.547 0.000) 14.168 11.787 ( -11.415 -17.151 -0.000) 20.603 12.496 ( -16.979 -2.137 0.000) 17.113 12.889 ( 1.192 -6.888 -0.000) 6.990 13.013 ( 14.523 -23.071 -0.000) 27.261 13.451 ( 20.206 16.316 -0.000) 25.972 14.075 ( -11.530 0.108 0.000) 11.530 14.289 ( 6.097 7.763 0.000) 9.871 15.460 ( -16.898 -7.500 0.000) 18.488 15.656 ( -9.674 8.731 0.000) 13.031 16.664 ( -10.877 -5.239 0.000) 12.073 17.477 ( 21.125 21.037 -0.000) 29.813 ======================= Grid point 249 (128/156) ======================= q-point: ( 0.20 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 4.359 -8.462 5.563) 11.025 2.945 ( 9.810 -4.290 1.281) 10.783 3.385 ( 12.224 -4.179 -10.151) 16.430 3.652 ( 8.836 -8.714 -7.743) 14.628 4.061 ( -3.174 2.219 -0.825) 3.960 4.941 ( 10.902 -9.077 -15.599) 21.085 5.272 ( 2.503 -6.303 12.981) 14.646 5.727 ( -3.424 -1.450 8.090) 8.904 6.279 ( 13.102 -5.855 11.665) 18.493 6.602 ( -7.402 1.468 -8.410) 11.300 6.735 ( -4.626 0.704 -2.457) 5.285 6.939 ( -1.594 -0.375 4.254) 4.559 7.262 ( 3.916 -4.497 12.240) 13.615 7.922 ( -6.581 8.052 3.220) 10.886 8.165 ( 0.034 3.733 -10.950) 11.569 8.275 ( -3.369 0.410 -9.568) 10.152 8.597 ( 5.041 -4.289 -7.313) 9.863 8.815 ( 3.327 -4.024 2.712) 5.883 9.040 ( 6.191 -8.171 10.214) 14.471 9.891 ( -7.292 3.091 -14.952) 16.920 10.568 ( 5.379 -6.716 -3.550) 9.308 10.972 ( -5.606 5.028 7.527) 10.647 11.269 ( 0.968 0.756 -4.658) 4.817 11.422 ( 3.077 -5.885 2.944) 7.264 11.503 ( 11.537 0.509 6.047) 13.036 12.133 ( 3.571 9.069 -9.102) 13.336 12.759 ( 5.804 31.621 2.428) 32.241 12.860 ( -8.991 -2.449 11.276) 14.628 13.395 ( -10.247 -0.214 -7.778) 12.866 13.661 ( -29.302 -14.722 0.925) 32.806 14.017 ( -3.543 15.483 1.075) 15.919 14.739 ( -17.915 -4.659 3.306) 18.804 15.458 ( 12.564 5.042 8.414) 15.939 15.816 ( 7.905 2.119 -0.255) 8.188 16.586 ( 3.770 2.084 13.466) 14.139 17.247 ( -1.427 -5.567 -17.597) 18.511 ======================= Grid point 250 (129/156) ======================= q-point: ( 0.20 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -13.678 -34.588 -0.000) 37.194 2.462 ( -8.349 -2.636 0.000) 8.756 3.475 ( 5.190 3.445 -0.000) 6.229 4.462 ( 4.507 7.028 0.000) 8.349 4.563 ( -4.373 -14.563 -0.000) 15.205 5.288 ( 23.674 3.145 -0.000) 23.882 5.677 ( 6.416 12.090 0.000) 13.687 5.744 ( -7.929 17.571 0.000) 19.277 6.288 ( 5.179 -9.612 -0.000) 10.919 6.294 ( -3.435 -12.804 -0.000) 13.256 6.409 ( -20.475 -2.782 0.000) 20.663 7.279 ( -2.286 11.683 0.000) 11.905 7.310 ( -2.084 5.633 0.000) 6.006 8.034 ( 7.022 3.529 -0.000) 7.859 8.111 ( -7.971 0.457 0.000) 7.984 8.409 ( 8.137 20.169 0.000) 21.748 8.994 ( 6.888 -8.252 -0.000) 10.749 9.105 ( 0.556 0.188 -0.000) 0.587 9.410 ( 13.812 4.522 -0.000) 14.533 9.878 ( 3.852 6.211 0.000) 7.309 10.623 ( -23.071 -4.757 0.000) 23.556 10.649 ( -1.817 -18.052 -0.000) 18.143 10.936 ( -3.112 7.680 0.000) 8.287 11.327 ( 6.157 -10.873 -0.000) 12.495 11.363 ( -18.035 -2.887 0.000) 18.264 11.763 ( 2.521 5.126 0.000) 5.712 12.215 ( -5.316 -3.212 0.000) 6.211 12.825 ( 19.474 -29.129 -0.000) 35.039 12.918 ( 3.920 5.478 0.000) 6.736 13.714 ( -7.617 -6.698 0.000) 10.143 14.205 ( 16.177 9.285 -0.000) 18.652 14.662 ( 0.772 19.911 0.000) 19.926 15.020 ( -15.981 -0.440 0.000) 15.987 15.557 ( -11.374 2.400 0.000) 11.625 16.339 ( -9.821 -7.439 0.000) 12.320 18.196 ( 17.773 10.653 -0.000) 20.721 ======================= Grid point 253 (130/156) ======================= q-point: ( 0.20 0.40 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 13.541 -6.879 22.564) 27.200 2.160 ( 8.766 -16.231 23.337) 29.747 3.644 ( -4.613 -3.748 -20.483) 21.327 3.775 ( 9.737 0.982 -23.447) 25.407 4.157 ( 0.210 0.994 33.983) 33.998 4.742 ( -1.899 0.648 -0.029) 2.007 5.030 ( 6.207 -7.168 -22.115) 24.062 5.462 ( 2.480 -5.033 15.898) 16.859 5.596 ( 10.457 -7.337 0.596) 12.788 6.443 ( 4.995 -4.588 8.927) 11.211 6.989 ( -5.358 -1.819 -4.718) 7.367 7.061 ( 4.405 0.492 -4.118) 6.050 7.188 ( -7.184 6.512 -5.146) 10.977 7.872 ( 1.711 3.961 27.217) 27.557 8.289 ( 3.002 -5.720 -0.902) 6.522 8.437 ( -1.051 1.769 -7.629) 7.902 8.609 ( 4.839 -7.546 -6.590) 11.126 8.791 ( -8.856 3.378 -7.590) 12.143 8.976 ( 5.816 -0.383 -33.133) 33.641 10.326 ( -5.406 1.098 -1.914) 5.839 10.584 ( 3.353 -4.551 -7.195) 9.150 10.746 ( 7.165 -0.186 -0.590) 7.192 11.046 ( -4.733 -1.389 3.230) 5.896 11.209 ( 7.901 -2.134 -0.274) 8.188 11.741 ( -8.169 5.569 2.971) 10.323 12.459 ( -0.063 12.471 -9.919) 15.934 12.788 ( -11.622 -0.089 11.662) 16.464 13.296 ( 4.392 -2.630 -0.558) 5.149 13.450 ( -1.330 23.962 7.621) 25.180 13.863 ( -23.375 -2.271 4.971) 24.005 14.713 ( -17.905 3.452 12.267) 21.977 14.820 ( -14.690 8.508 5.148) 17.740 15.065 ( 16.474 2.738 5.326) 17.529 15.676 ( 7.942 5.436 2.731) 10.004 16.063 ( 5.254 -13.777 13.940) 20.291 17.412 ( 10.944 -11.681 -21.561) 26.853 ======================= Grid point 254 (131/156) ======================= q-point: ( 0.20 0.60 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -0.694 -16.580 10.729) 19.760 3.027 ( -3.394 -9.693 -21.427) 23.761 3.305 ( 7.686 -1.672 9.330) 12.203 4.000 ( 12.826 1.584 -1.216) 12.980 4.287 ( 19.534 5.238 -9.820) 22.482 4.863 ( 4.896 -11.932 -18.648) 22.674 5.410 ( 3.778 9.952 12.933) 16.750 5.712 ( 5.376 -2.070 6.785) 8.901 6.214 ( 0.405 -10.049 7.049) 12.281 6.515 ( -8.403 4.065 -6.609) 11.437 6.745 ( -0.364 6.230 12.014) 13.538 7.150 ( 15.617 4.235 1.849) 16.287 7.196 ( -3.672 -1.841 1.845) 4.503 7.959 ( -3.803 2.886 -5.790) 7.504 8.172 ( 0.235 5.424 -6.507) 8.475 8.365 ( -2.445 5.146 4.675) 7.370 8.705 ( 6.738 0.559 9.923) 12.008 8.834 ( 9.621 -3.588 -13.099) 16.644 9.038 ( 7.235 -5.008 1.438) 8.916 9.912 ( -1.718 8.721 -11.216) 14.311 10.564 ( 4.150 -4.442 -1.798) 6.340 11.008 ( -3.276 6.885 7.257) 10.526 11.182 ( -7.056 0.695 -5.683) 9.087 11.411 ( 7.959 -16.942 4.939) 19.359 11.540 ( 4.317 -7.380 -0.743) 8.582 12.159 ( -11.544 -6.185 -2.461) 13.325 12.604 ( -22.724 -6.754 9.308) 25.468 12.735 ( -13.285 1.137 2.822) 13.629 13.049 ( -12.093 -0.722 -6.056) 13.544 13.571 ( 8.754 23.328 -2.162) 25.010 14.151 ( -14.679 -0.739 9.879) 17.709 14.612 ( 2.711 16.928 -6.105) 18.198 15.504 ( -7.792 -6.472 7.244) 12.453 15.729 ( -1.339 -7.698 3.670) 8.632 16.671 ( 3.605 -5.036 -0.073) 6.194 17.465 ( 13.844 9.981 -6.808) 18.374 ======================= Grid point 255 (132/156) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -16.435 -12.023 0.000) 20.363 2.420 ( -8.627 -1.339 0.000) 8.730 3.512 ( 5.695 0.127 -0.000) 5.696 4.356 ( -0.658 -5.728 -0.000) 5.766 4.626 ( 3.923 8.938 0.000) 9.761 5.335 ( 26.689 1.595 -0.000) 26.737 5.916 ( 1.876 10.904 0.000) 11.065 5.962 ( -7.897 -0.059 0.000) 7.897 6.075 ( 2.441 -8.949 -0.000) 9.276 6.077 ( 4.475 -10.711 -0.000) 11.608 6.485 ( -24.908 13.676 0.000) 28.415 7.373 ( -5.782 0.801 0.000) 5.837 7.513 ( -3.956 11.399 0.000) 12.066 7.998 ( 6.698 -4.547 -0.000) 8.096 8.128 ( -16.116 0.687 0.000) 16.130 8.700 ( 19.840 -4.937 -0.000) 20.445 8.857 ( 9.408 4.729 -0.000) 10.529 9.149 ( 0.453 4.007 0.000) 4.032 9.430 ( 12.679 -2.403 -0.000) 12.905 9.953 ( 2.291 -1.961 -0.000) 3.016 10.412 ( -15.012 -5.465 0.000) 15.976 10.504 ( -16.650 -5.894 0.000) 17.662 10.987 ( -1.454 3.599 0.000) 3.881 11.202 ( 10.109 -1.671 -0.000) 10.247 11.402 ( -12.567 5.314 0.000) 13.644 11.644 ( 10.317 -17.951 -0.000) 20.704 12.235 ( -4.790 -0.670 0.000) 4.836 12.415 ( 10.131 -2.898 -0.000) 10.537 13.210 ( -2.582 21.748 0.000) 21.900 13.502 ( -7.502 -12.043 -0.000) 14.189 14.397 ( 12.775 8.979 -0.000) 15.615 14.999 ( -9.236 -2.645 0.000) 9.607 15.088 ( -1.366 20.217 0.000) 20.263 15.500 ( -8.144 -7.299 0.000) 10.936 16.135 ( -9.632 -12.650 -0.000) 15.899 18.305 ( 16.072 0.116 -0.000) 16.073 ======================= Grid point 258 (133/156) ======================= q-point: ( 0.25 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.845 -0.257 25.872) 25.887 2.132 ( 21.825 0.497 24.272) 32.645 3.639 ( -3.563 3.142 -21.700) 22.214 3.744 ( 6.832 -3.822 -21.704) 23.072 4.155 ( 3.839 -0.364 44.196) 44.364 4.801 ( -3.098 0.473 -8.535) 9.092 4.942 ( 5.067 0.259 -22.786) 23.344 5.392 ( 6.385 0.508 15.302) 16.589 5.517 ( 9.424 -0.728 -0.672) 9.476 6.396 ( 3.380 -0.138 11.605) 12.088 6.975 ( -3.685 1.422 -4.958) 6.339 7.070 ( 4.787 -0.652 -7.327) 8.776 7.261 ( -6.847 0.188 -2.947) 7.456 7.883 ( 2.531 -1.980 32.134) 32.294 8.249 ( 2.853 0.906 -5.982) 6.689 8.471 ( 0.708 -0.451 -5.187) 5.255 8.514 ( 5.116 0.868 -5.232) 7.368 8.837 ( -9.379 2.268 -14.144) 17.121 8.975 ( 4.271 -1.947 -32.298) 32.637 10.417 ( 3.109 7.541 1.460) 8.286 10.446 ( 5.948 -6.717 -2.507) 9.316 10.742 ( -1.666 -1.420 -15.022) 15.180 11.074 ( -1.789 4.583 4.930) 6.965 11.140 ( 4.217 -4.271 0.103) 6.004 11.817 ( -7.184 0.956 4.980) 8.793 12.508 ( -16.486 -4.332 -7.165) 18.490 12.959 ( 2.040 8.139 6.700) 10.737 13.116 ( 5.468 -4.753 0.650) 7.274 13.589 ( -20.769 -7.189 8.441) 23.543 14.052 ( -15.467 8.554 5.430) 18.490 14.703 ( -6.784 4.811 6.153) 10.346 14.934 ( 5.981 -1.288 11.915) 13.394 15.193 ( -11.879 -1.000 8.763) 14.795 15.565 ( -6.638 -8.452 0.009) 10.747 15.973 ( 17.278 4.396 12.049) 21.518 17.275 ( 18.617 0.214 -18.751) 26.425 ======================= Grid point 259 (134/156) ======================= q-point: ( 0.25 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -3.172 -2.369 11.800) 12.446 2.927 ( -6.993 -0.673 -22.067) 23.158 3.280 ( 9.038 -1.932 6.629) 11.374 4.032 ( 18.215 1.651 0.997) 18.316 4.277 ( 10.202 -6.378 -6.897) 13.869 4.759 ( 8.920 2.634 -22.385) 24.240 5.583 ( 13.534 -1.842 9.333) 16.543 5.710 ( 1.564 11.422 6.848) 13.409 6.037 ( -2.934 -7.992 14.173) 16.533 6.619 ( -10.875 4.006 -8.531) 14.390 6.863 ( 2.608 5.701 10.426) 12.165 7.092 ( 12.455 -5.728 11.252) 17.735 7.221 ( 4.085 1.146 -0.819) 4.321 8.008 ( -1.488 3.286 -11.789) 12.328 8.190 ( -1.143 -4.690 2.538) 5.453 8.506 ( 3.992 7.175 -0.841) 8.254 8.671 ( 5.746 -4.583 -15.343) 17.012 8.816 ( 9.575 2.237 6.846) 11.982 8.968 ( 7.283 -0.887 4.981) 8.868 10.102 ( 0.029 5.529 -19.458) 20.228 10.565 ( 0.745 7.252 6.551) 9.801 10.972 ( 7.807 -18.074 -3.909) 20.072 11.125 ( -5.184 2.959 7.654) 9.706 11.279 ( -3.921 4.437 -2.585) 6.461 11.423 ( -5.042 -2.559 1.492) 5.848 11.886 ( -9.809 -15.899 -3.836) 19.071 12.362 ( -27.451 -12.226 1.621) 30.094 12.907 ( -16.140 3.816 4.745) 17.251 13.184 ( 4.186 16.198 1.042) 16.763 13.900 ( -8.137 -2.444 3.296) 9.113 14.183 ( -11.173 16.570 2.051) 20.090 15.022 ( 1.736 18.776 2.993) 19.092 15.254 ( -6.177 -15.802 2.933) 17.218 15.533 ( 2.683 -11.879 4.990) 13.161 16.582 ( 0.663 -3.346 -5.017) 6.067 17.597 ( 16.128 2.732 -4.128) 16.870 ======================= Grid point 285 (135/156) ======================= q-point: ( 0.25 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 18.028 14.040 -0.000) 22.850 2.560 ( 2.419 5.812 0.000) 6.296 3.342 ( -4.014 -7.061 -0.000) 8.123 4.241 ( -3.465 -5.335 -0.000) 6.362 4.721 ( 11.139 -5.242 -0.000) 12.311 4.759 ( 0.602 -29.502 -0.000) 29.508 5.790 ( -3.913 -9.280 -0.000) 10.072 5.872 ( -8.521 3.029 0.000) 9.043 6.169 ( -4.950 14.183 0.000) 15.022 6.184 ( 12.378 3.911 -0.000) 12.982 7.016 ( 9.708 4.507 -0.000) 10.703 7.305 ( -8.064 -10.949 -0.000) 13.598 7.765 ( -2.893 -5.314 -0.000) 6.050 7.787 ( 9.420 1.340 -0.000) 9.515 8.186 ( -10.195 -5.717 0.000) 11.688 8.279 ( -13.373 0.787 0.000) 13.396 8.687 ( 2.174 -12.371 -0.000) 12.561 9.105 ( -2.407 -7.071 -0.000) 7.470 9.322 ( 11.425 -0.559 -0.000) 11.438 9.758 ( -11.629 -1.267 0.000) 11.698 10.624 ( -3.677 5.314 0.000) 6.463 10.841 ( -3.002 23.956 0.000) 24.143 10.980 ( -14.352 6.292 0.000) 15.671 11.218 ( 22.899 -2.578 -0.000) 23.044 11.438 ( 11.786 2.150 -0.000) 11.980 11.565 ( 0.657 -0.177 -0.000) 0.681 11.931 ( -8.017 -2.467 0.000) 8.388 12.775 ( 9.097 11.081 0.000) 14.337 13.369 ( -15.615 8.581 0.000) 17.817 13.790 ( 24.410 -6.190 -0.000) 25.183 14.453 ( 8.507 1.911 -0.000) 8.719 14.900 ( -10.061 0.115 0.000) 10.061 15.267 ( -16.865 3.196 0.000) 17.165 15.551 ( 15.719 -1.151 -0.000) 15.761 16.149 ( -9.321 15.674 0.000) 18.237 17.893 ( -8.230 -16.376 -0.000) 18.328 ======================= Grid point 290 (136/156) ======================= q-point: (-0.75 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 6.858 5.296 -0.000) 8.665 3.062 ( 7.899 -5.108 -0.000) 9.407 3.111 ( 15.591 8.674 -0.000) 17.842 4.000 ( 1.506 -14.518 -0.000) 14.596 4.253 ( -1.416 -19.596 -0.000) 19.647 4.882 ( 12.515 -3.742 -0.000) 13.062 5.563 ( 2.013 -10.128 -0.000) 10.326 5.796 ( -8.738 4.745 0.000) 9.943 6.305 ( -6.066 9.426 0.000) 11.210 6.477 ( 10.052 0.741 -0.000) 10.079 6.845 ( -4.977 -13.277 -0.000) 14.180 7.072 ( -3.140 -5.060 -0.000) 5.955 7.632 ( -5.530 -2.575 0.000) 6.100 7.851 ( -12.442 1.921 0.000) 12.589 7.975 ( 6.717 -3.932 -0.000) 7.784 8.075 ( -2.569 5.870 0.000) 6.407 8.544 ( 2.614 -5.248 -0.000) 5.863 8.986 ( 0.311 -5.056 -0.000) 5.065 9.492 ( -11.326 -1.343 0.000) 11.405 9.504 ( 9.047 -2.777 -0.000) 9.464 10.694 ( 11.339 -7.408 -0.000) 13.544 10.912 ( -10.662 10.209 0.000) 14.761 11.077 ( -6.761 11.912 0.000) 13.696 11.533 ( 3.220 -4.420 -0.000) 5.469 11.735 ( 25.527 -2.040 -0.000) 25.608 11.750 ( -0.060 7.712 0.000) 7.712 12.161 ( 12.191 25.324 0.000) 28.105 13.043 ( 1.945 3.075 0.000) 3.639 13.175 ( -18.353 5.818 0.000) 19.253 13.910 ( 2.382 -9.440 -0.000) 9.736 14.004 ( -20.712 -12.840 0.000) 24.369 14.847 ( -22.975 -1.387 0.000) 23.017 15.363 ( 19.681 13.953 -0.000) 24.125 15.798 ( 7.869 -1.341 -0.000) 7.982 16.411 ( 1.316 20.498 0.000) 20.540 17.351 ( -12.346 -15.468 -0.000) 19.791 ======================= Grid point 296 (137/156) ======================= q-point: ( 0.25 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -6.417 -6.543 -0.000) 9.164 2.975 ( 9.457 -4.816 -0.000) 10.613 3.632 ( -3.459 -21.839 -0.000) 22.111 3.948 ( 33.521 8.206 -0.000) 34.511 4.062 ( 4.299 1.011 -0.000) 4.416 4.954 ( 7.343 -12.110 -0.000) 14.162 5.466 ( -0.235 -2.066 -0.000) 2.079 5.721 ( -5.827 5.113 0.000) 7.752 6.328 ( -1.627 2.110 0.000) 2.665 6.553 ( -1.120 -11.368 -0.000) 11.423 6.726 ( 9.097 6.074 -0.000) 10.939 6.956 ( -0.870 5.564 0.000) 5.631 7.395 ( -14.086 -0.995 0.000) 14.122 7.811 ( -3.699 8.277 0.000) 9.065 8.062 ( 8.003 -3.605 -0.000) 8.777 8.212 ( -2.302 7.498 0.000) 7.844 8.664 ( 12.177 4.598 -0.000) 13.016 8.899 ( 2.997 -6.591 -0.000) 7.241 9.270 ( -7.216 -1.986 0.000) 7.484 9.618 ( 7.027 -0.930 -0.000) 7.088 10.722 ( 10.556 -11.538 -0.000) 15.638 10.940 ( -5.818 8.729 0.000) 10.490 11.100 ( -3.088 1.095 0.000) 3.276 11.558 ( 4.157 -0.402 -0.000) 4.176 11.917 ( -9.888 16.626 0.000) 19.344 11.928 ( 7.472 -17.129 -0.000) 18.688 12.866 ( -19.230 1.458 0.000) 19.285 12.899 ( 0.134 1.283 0.000) 1.290 13.041 ( -22.727 -19.042 0.000) 29.650 13.069 ( 14.340 15.051 0.000) 20.788 14.147 ( 7.865 10.308 0.000) 12.966 14.383 ( -18.141 -2.491 0.000) 18.311 15.726 ( -8.897 -5.395 0.000) 10.405 15.754 ( 1.124 5.246 0.000) 5.365 16.859 ( -8.550 -11.004 -0.000) 13.935 17.070 ( 18.323 21.205 0.000) 28.025 ======================= Grid point 301 (138/156) ======================= q-point: ( 0.25 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 17.454 2.565 12.752) 21.768 2.890 ( 0.239 -16.348 -0.540) 16.359 3.240 ( 2.884 7.767 -9.905) 12.913 3.572 ( 0.454 -18.322 -6.967) 19.607 4.155 ( -5.694 2.676 -3.256) 7.084 4.719 ( 10.279 -8.174 -19.067) 23.152 5.253 ( -1.086 -10.731 11.717) 15.926 5.754 ( 3.631 -11.003 0.330) 11.592 6.052 ( 5.554 0.411 27.015) 27.583 6.709 ( -2.660 -5.719 4.824) 7.940 6.843 ( -4.546 9.048 -7.224) 12.439 6.950 ( 1.204 -2.051 -0.948) 2.560 7.170 ( 3.162 -5.495 9.168) 11.147 8.067 ( -7.548 3.802 6.316) 10.551 8.116 ( 4.163 1.118 -18.417) 18.915 8.379 ( -6.020 -5.452 -20.732) 22.266 8.502 ( 3.266 -4.129 -5.931) 7.931 8.758 ( 4.062 -6.357 3.186) 8.189 8.919 ( 4.459 -4.833 20.209) 21.252 10.053 ( -7.208 1.594 -20.775) 22.048 10.534 ( -2.867 -6.987 -4.951) 9.030 10.891 ( 20.079 -6.604 4.751) 21.665 11.131 ( -4.262 -0.123 3.387) 5.445 11.318 ( 6.312 -1.732 3.437) 7.393 11.636 ( -13.671 8.513 1.213) 16.150 11.979 ( 8.443 14.365 -8.995) 18.936 12.811 ( -9.002 37.455 3.048) 38.642 13.025 ( -7.540 0.602 8.467) 11.354 13.387 ( 10.981 -3.651 -1.228) 11.637 13.947 ( -10.384 6.448 0.961) 12.261 14.531 ( -29.353 9.511 1.713) 30.903 15.022 ( 4.447 1.075 9.570) 10.607 15.152 ( -1.902 -2.432 2.540) 3.998 15.568 ( 16.106 7.064 1.435) 17.645 16.538 ( 2.354 -3.586 8.025) 9.099 17.271 ( -0.705 -14.907 -14.141) 20.559 ======================= Grid point 302 (139/156) ======================= q-point: ( 0.25 -0.25 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -4.552 -3.244 0.000) 5.590 2.648 ( -6.169 -29.717 -0.000) 30.350 3.392 ( 1.982 1.483 -0.000) 2.476 4.317 ( 9.002 7.429 -0.000) 11.672 4.658 ( -3.386 -16.706 -0.000) 17.046 4.718 ( 31.532 2.364 -0.000) 31.620 5.582 ( 3.090 11.426 0.000) 11.836 5.824 ( -0.280 10.306 0.000) 10.310 6.260 ( -1.605 -6.274 -0.000) 6.476 6.294 ( -2.626 -9.626 -0.000) 9.978 6.844 ( -12.962 -2.282 0.000) 13.162 7.259 ( 6.772 10.009 0.000) 12.085 7.284 ( -1.523 14.111 0.000) 14.193 7.933 ( 3.281 1.910 -0.000) 3.796 8.228 ( 9.943 6.626 -0.000) 11.949 8.252 ( -6.201 6.180 0.000) 8.754 8.841 ( 6.512 -8.770 -0.000) 10.923 9.100 ( 16.770 5.004 -0.000) 17.500 9.132 ( -3.254 -0.674 0.000) 3.323 9.783 ( 5.693 4.874 -0.000) 7.494 10.654 ( 1.926 -8.099 -0.000) 8.325 11.007 ( -4.098 6.391 0.000) 7.593 11.018 ( -8.428 -1.053 0.000) 8.493 11.343 ( -12.800 -21.894 -0.000) 25.361 11.655 ( 6.567 -1.945 -0.000) 6.849 11.774 ( -20.858 -1.891 0.000) 20.943 12.482 ( -6.023 -11.411 -0.000) 12.903 12.512 ( -4.000 -10.689 -0.000) 11.413 12.856 ( 1.613 8.747 0.000) 8.895 13.777 ( 9.925 13.115 0.000) 16.448 14.010 ( -6.625 -4.486 0.000) 8.001 14.614 ( 3.844 21.879 0.000) 22.215 15.332 ( -14.325 -6.220 0.000) 15.617 15.734 ( -5.817 -1.077 0.000) 5.916 16.522 ( -7.902 -8.621 -0.000) 11.695 17.816 ( 19.774 12.283 -0.000) 23.278 ======================= Grid point 306 (140/156) ======================= q-point: ( 0.25 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -0.936 -16.495 11.670) 20.227 2.922 ( 15.962 -0.772 0.417) 15.986 3.223 ( -1.328 -4.988 -0.745) 5.215 3.639 ( 16.344 0.215 -13.911) 21.464 4.149 ( -1.137 5.958 -6.639) 8.992 4.729 ( 7.828 -10.683 -18.893) 23.072 5.265 ( 9.110 4.072 16.876) 19.606 5.624 ( 4.372 -6.806 2.370) 8.429 6.156 ( 6.327 -5.261 20.755) 22.327 6.614 ( -2.595 2.244 1.368) 3.693 6.820 ( -5.359 3.473 -4.149) 7.616 6.970 ( 0.805 2.935 3.752) 4.831 7.167 ( 5.058 -4.232 4.011) 7.718 8.044 ( -3.600 0.537 -15.528) 15.949 8.182 ( -0.888 4.391 -10.575) 11.485 8.388 ( 0.598 5.934 1.746) 6.214 8.508 ( 9.921 -2.647 -0.094) 10.269 8.701 ( 4.925 -7.743 -7.575) 11.899 8.921 ( 3.970 -3.013 17.541) 18.235 9.999 ( -5.946 7.455 -17.778) 20.174 10.468 ( 4.694 -2.815 -3.589) 6.546 11.054 ( 6.970 -3.207 4.293) 8.791 11.101 ( 8.307 -8.913 -0.716) 12.205 11.328 ( 0.780 -3.500 1.130) 3.760 11.523 ( -8.566 3.890 -1.022) 9.464 12.310 ( -1.955 1.101 -3.254) 3.953 12.823 ( -6.881 4.567 9.049) 12.251 13.266 ( -9.014 -1.955 -1.304) 9.316 13.332 ( -33.042 -8.346 4.360) 34.357 13.512 ( -1.671 22.678 -0.871) 22.756 14.452 ( -15.977 18.243 7.013) 25.244 14.659 ( -9.034 2.877 -2.050) 9.701 15.493 ( 9.915 -1.939 8.237) 13.035 15.765 ( -2.119 -9.165 0.278) 9.411 16.527 ( 9.280 -5.274 11.347) 15.579 17.221 ( 10.938 2.000 -16.137) 19.597 ======================= Grid point 307 (141/156) ======================= q-point: ( 0.30 -0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -12.304 -9.081 0.000) 15.292 2.542 ( -4.434 -0.627 0.000) 4.478 3.397 ( 4.982 -1.287 -0.000) 5.145 4.379 ( -0.044 -10.476 -0.000) 10.476 4.499 ( 7.961 10.441 0.000) 13.129 4.745 ( 30.637 0.741 -0.000) 30.646 5.839 ( 4.427 12.503 0.000) 13.264 5.885 ( 9.723 -3.946 -0.000) 10.494 6.118 ( -6.503 -6.759 -0.000) 9.380 6.221 ( -11.807 0.125 0.000) 11.807 6.848 ( -10.364 4.489 0.000) 11.294 7.383 ( 5.815 1.518 -0.000) 6.010 7.565 ( -1.323 12.885 0.000) 12.953 7.856 ( 8.470 -6.278 -0.000) 10.543 8.321 ( 13.538 -0.848 -0.000) 13.565 8.367 ( -6.251 3.303 0.000) 7.070 8.693 ( 7.160 -4.241 -0.000) 8.322 9.143 ( 15.198 0.250 -0.000) 15.200 9.157 ( -1.933 3.300 0.000) 3.824 9.880 ( 4.688 1.105 -0.000) 4.817 10.671 ( -7.193 10.870 0.000) 13.034 10.877 ( -14.307 -18.647 -0.000) 23.503 11.064 ( -6.808 -0.435 0.000) 6.822 11.079 ( -0.985 2.548 0.000) 2.732 11.479 ( 5.356 -13.213 -0.000) 14.257 11.631 ( -10.640 -7.708 0.000) 13.139 12.126 ( 2.778 -12.392 -0.000) 12.700 12.603 ( -17.617 7.510 0.000) 19.151 13.240 ( 0.086 25.429 0.000) 25.429 13.707 ( -12.196 -13.669 -0.000) 18.319 14.173 ( 6.964 15.188 0.000) 16.708 15.084 ( 1.440 23.119 0.000) 23.163 15.162 ( -6.613 -11.447 -0.000) 13.220 15.614 ( -2.911 -10.516 -0.000) 10.912 16.336 ( -9.769 -9.398 0.000) 13.556 17.959 ( 18.289 1.868 -0.000) 18.385 ======================= Grid point 310 (142/156) ======================= q-point: ( 0.30 0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -0.000 -0.000 27.074) 27.074 1.884 ( -0.000 -0.000 27.074) 27.074 3.680 ( 0.000 0.000 -21.849) 21.849 3.680 ( 0.000 0.000 -21.849) 21.849 4.100 ( -0.000 -0.000 55.655) 55.655 4.889 ( 0.000 0.000 -23.063) 23.063 4.889 ( 0.000 0.000 -23.063) 23.063 5.270 ( -0.000 -0.000 21.910) 21.910 5.427 ( 0.000 0.000 -2.816) 2.816 6.367 ( -0.000 -0.000 14.477) 14.477 7.013 ( 0.000 0.000 -8.294) 8.294 7.013 ( 0.000 0.000 -8.294) 8.294 7.334 ( 0.000 0.000 -0.507) 0.507 7.851 ( -0.000 -0.000 36.004) 36.004 8.236 ( 0.000 0.000 -8.489) 8.489 8.452 ( 0.000 0.000 -3.786) 3.786 8.452 ( 0.000 0.000 -3.786) 3.786 8.920 ( 0.000 0.000 -41.333) 41.333 8.964 ( 0.000 0.000 -11.804) 11.804 10.374 ( -0.000 -0.000 1.087) 1.087 10.374 ( -0.000 -0.000 1.087) 1.087 10.775 ( 0.000 0.000 -21.903) 21.903 11.090 ( -0.000 -0.000 2.770) 2.770 11.090 ( -0.000 -0.000 2.770) 2.770 11.891 ( -0.000 -0.000 5.500) 5.500 12.791 ( 0.000 0.000 -16.850) 16.850 12.941 ( -0.000 -0.000 8.267) 8.267 12.941 ( -0.000 -0.000 8.267) 8.267 13.764 ( -0.000 -0.000 11.719) 11.719 14.329 ( 0.000 0.000 -1.674) 1.674 14.776 ( -0.000 -0.000 7.809) 7.809 14.776 ( -0.000 -0.000 7.809) 7.809 15.492 ( -0.000 -0.000 22.792) 22.792 15.663 ( -0.000 -0.000 1.225) 1.225 15.663 ( -0.000 -0.000 1.225) 1.225 17.033 ( 0.000 0.000 -13.384) 13.384 ======================= Grid point 311 (143/156) ======================= q-point: ( 0.30 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -1.684 -0.418 14.219) 14.325 2.897 ( 14.218 -1.097 -4.390) 14.921 3.201 ( -3.764 1.305 1.845) 4.391 3.606 ( 16.993 -2.771 -11.709) 20.822 4.236 ( -2.173 0.127 -5.521) 5.935 4.593 ( 7.419 -0.247 -21.897) 23.121 5.305 ( 13.656 -2.428 14.644) 20.170 5.600 ( 8.458 6.738 -0.519) 10.826 6.066 ( 1.657 -3.825 28.282) 28.587 6.700 ( 4.724 4.697 10.375) 12.330 6.832 ( -2.784 -0.267 -5.073) 5.793 6.999 ( -5.816 -2.071 -2.284) 6.583 7.130 ( 6.641 0.979 2.115) 7.038 8.043 ( -0.325 1.838 -24.547) 24.618 8.208 ( -0.709 -5.030 1.336) 5.253 8.427 ( 3.145 2.529 -3.028) 5.045 8.533 ( 6.368 -7.462 -11.251) 14.927 8.616 ( 9.193 8.668 0.352) 12.640 8.891 ( 1.451 -0.579 20.957) 21.015 10.124 ( -2.053 1.777 -24.043) 24.196 10.514 ( 4.354 9.449 2.577) 10.718 10.741 ( 13.063 -13.358 -4.909) 19.317 11.180 ( -0.867 4.673 5.997) 7.652 11.249 ( 3.322 -3.681 1.493) 5.178 11.658 ( -14.539 8.325 0.577) 16.764 12.102 ( -10.861 -16.442 -3.705) 20.051 13.044 ( -35.831 -13.086 1.687) 38.183 13.083 ( 1.678 16.811 2.580) 17.091 13.171 ( -6.373 -7.030 4.336) 10.432 14.017 ( -4.995 12.610 4.517) 14.296 14.514 ( -17.653 7.335 1.522) 19.177 15.057 ( -6.931 18.300 6.621) 20.659 15.345 ( 1.583 -14.558 6.217) 15.909 15.443 ( 1.282 -15.521 -0.851) 15.597 16.488 ( 8.713 1.559 6.085) 10.741 17.265 ( 17.036 1.463 -12.336) 21.084 ======================= Grid point 343 (144/156) ======================= q-point: (-0.70 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 18.856 9.011 -0.000) 20.899 2.666 ( 3.610 4.923 0.000) 6.105 3.225 ( -6.557 -3.780 0.000) 7.569 4.019 ( -2.885 -21.688 -0.000) 21.879 4.277 ( -1.971 -12.713 -0.000) 12.865 4.602 ( 14.383 -6.456 -0.000) 15.766 5.571 ( -2.885 -11.543 -0.000) 11.898 5.901 ( 0.743 -1.885 -0.000) 2.027 6.294 ( 5.642 6.672 0.000) 8.738 6.435 ( -5.361 12.069 0.000) 13.206 6.999 ( -9.766 -15.045 -0.000) 17.937 7.026 ( 6.158 -2.793 -0.000) 6.762 7.662 ( 1.393 -5.588 -0.000) 5.759 7.772 ( 10.200 -4.164 -0.000) 11.017 8.166 ( -5.032 1.802 0.000) 5.345 8.176 ( -14.689 -7.181 0.000) 16.351 8.503 ( 0.565 -6.058 -0.000) 6.084 8.961 ( 3.173 -7.834 -0.000) 8.452 9.322 ( 7.585 1.159 -0.000) 7.673 9.709 ( -8.351 -3.558 0.000) 9.078 10.611 ( -4.692 -4.775 -0.000) 6.695 11.131 ( 21.938 -6.335 -0.000) 22.834 11.132 ( -10.256 4.490 0.000) 11.196 11.248 ( 2.321 14.418 0.000) 14.603 11.545 ( -7.374 -0.125 0.000) 7.375 11.584 ( 12.472 11.695 -0.000) 17.097 12.156 ( -8.187 25.918 0.000) 27.180 13.004 ( 1.936 10.101 0.000) 10.285 13.482 ( -0.777 -2.932 -0.000) 3.033 13.724 ( -1.654 7.586 0.000) 7.764 14.497 ( -8.886 0.407 0.000) 8.895 14.973 ( 6.771 7.593 0.000) 10.173 15.276 ( -18.542 -2.706 0.000) 18.739 15.527 ( 18.212 -0.103 -0.000) 18.213 16.435 ( -2.329 12.179 0.000) 12.399 17.539 ( -5.899 -19.038 -0.000) 19.931 ======================= Grid point 349 (145/156) ======================= q-point: ( 0.30 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 6.233 -2.942 -0.000) 6.892 2.910 ( -3.081 -7.124 -0.000) 7.762 3.319 ( 25.439 8.899 -0.000) 26.950 3.612 ( 3.776 -18.147 -0.000) 18.535 4.057 ( -2.838 -3.313 -0.000) 4.362 4.747 ( 12.817 -9.922 -0.000) 16.209 5.411 ( 4.182 -3.701 -0.000) 5.585 5.805 ( -1.698 -4.741 -0.000) 5.036 6.448 ( -9.515 4.832 0.000) 10.672 6.469 ( 6.469 -0.932 -0.000) 6.536 6.709 ( -5.169 0.948 0.000) 5.255 6.994 ( -1.061 -1.626 -0.000) 1.942 7.561 ( -2.640 -4.354 -0.000) 5.091 7.796 ( 10.353 -11.616 -0.000) 15.560 7.965 ( -4.714 6.921 0.000) 8.374 8.221 ( 0.790 8.387 0.000) 8.424 8.484 ( 5.570 -1.801 -0.000) 5.854 8.853 ( 2.410 -8.274 -0.000) 8.618 9.455 ( -10.039 -2.321 0.000) 10.304 9.476 ( 6.295 1.171 -0.000) 6.403 10.537 ( 6.945 -6.834 -0.000) 9.743 11.054 ( -5.605 4.690 0.000) 7.309 11.208 ( -5.066 1.253 0.000) 5.219 11.456 ( 5.589 -3.977 -0.000) 6.860 11.580 ( 18.378 -11.173 -0.000) 21.508 12.024 ( 1.007 16.850 0.000) 16.880 12.774 ( 4.119 33.672 0.000) 33.923 13.034 ( -4.207 -3.801 0.000) 5.670 13.271 ( -16.670 1.489 0.000) 16.737 13.670 ( -31.106 -14.563 0.000) 34.346 14.027 ( -1.989 16.904 0.000) 17.021 14.774 ( -20.023 -5.707 0.000) 20.820 15.571 ( 17.112 6.179 -0.000) 18.194 15.788 ( 3.338 0.206 -0.000) 3.345 16.779 ( 10.381 15.705 0.000) 18.826 17.012 ( -6.669 -18.094 -0.000) 19.284 ======================= Grid point 355 (146/156) ======================= q-point: ( 0.30 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -5.628 -4.045 0.000) 6.931 2.682 ( 1.896 -19.680 -0.000) 19.772 3.401 ( -1.778 -3.945 -0.000) 4.327 4.060 ( 33.055 2.966 -0.000) 33.188 4.142 ( 7.366 6.848 -0.000) 10.057 4.651 ( 4.243 -15.791 -0.000) 16.351 5.538 ( 2.692 8.178 0.000) 8.610 5.768 ( 5.105 -1.678 -0.000) 5.373 6.333 ( -5.786 -1.394 0.000) 5.952 6.407 ( -6.994 -1.445 0.000) 7.142 6.855 ( 5.797 5.060 -0.000) 7.694 7.102 ( 6.974 7.433 0.000) 10.193 7.415 ( -7.282 4.018 0.000) 8.317 7.816 ( 10.837 -8.895 -0.000) 14.020 8.084 ( 1.919 6.960 0.000) 7.219 8.350 ( -3.160 5.518 0.000) 6.359 8.743 ( 3.925 -8.790 -0.000) 9.627 8.754 ( 16.857 4.077 -0.000) 17.343 9.241 ( -7.389 -0.964 0.000) 7.451 9.661 ( 5.934 5.551 -0.000) 8.126 10.575 ( 5.550 -2.172 -0.000) 5.960 11.086 ( -3.414 6.285 0.000) 7.153 11.103 ( -4.444 0.029 0.000) 4.444 11.455 ( 7.598 -22.987 -0.000) 24.210 11.537 ( 4.971 -5.595 -0.000) 7.484 12.137 ( -13.775 -2.421 0.000) 13.986 12.673 ( -27.562 -16.605 0.000) 32.178 12.857 ( -1.584 7.457 0.000) 7.623 12.921 ( -21.312 2.562 0.000) 21.465 13.550 ( 8.144 26.011 0.000) 27.256 14.277 ( -16.356 -7.955 0.000) 18.188 14.525 ( 4.018 24.911 0.000) 25.233 15.586 ( -10.762 -10.042 0.000) 14.719 15.770 ( 2.856 -3.744 -0.000) 4.709 16.641 ( -3.612 -9.776 -0.000) 10.422 17.413 ( 19.880 12.671 -0.000) 23.574 ======================= Grid point 360 (147/156) ======================= q-point: ( 0.30 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 4.961 -10.064 11.547) 16.101 2.538 ( 13.201 -7.094 12.043) 19.226 3.303 ( -5.057 -1.969 -9.584) 11.014 3.412 ( 7.230 0.763 -9.883) 12.269 4.237 ( -6.407 5.352 -10.695) 13.567 4.570 ( 7.481 -6.606 -20.304) 22.624 5.103 ( 6.013 -4.423 17.756) 19.262 5.516 ( 6.011 -10.092 -2.801) 12.075 6.021 ( 4.978 -2.699 34.560) 35.020 6.658 ( -1.303 -0.098 11.932) 12.003 6.906 ( -3.042 -2.651 -3.756) 5.513 6.966 ( 3.584 1.715 -3.320) 5.178 7.122 ( -2.982 2.302 -2.610) 4.583 8.037 ( 4.296 -4.422 -30.049) 30.675 8.204 ( -1.624 5.075 -6.537) 8.433 8.357 ( -0.612 2.860 -3.956) 4.919 8.429 ( 0.016 -2.691 2.910) 3.963 8.591 ( 6.215 -8.923 -3.794) 11.517 8.884 ( 0.167 0.126 23.314) 23.314 10.115 ( -5.005 4.523 -22.340) 23.336 10.408 ( 0.341 -4.779 -4.912) 6.862 10.697 ( 17.668 -11.547 -2.970) 21.315 11.135 ( -2.662 1.139 4.301) 5.185 11.257 ( 4.305 -3.435 3.238) 6.389 11.801 ( -14.511 7.681 2.854) 16.665 12.272 ( 2.925 11.742 -7.707) 14.346 12.985 ( -8.694 -2.228 7.472) 11.678 13.288 ( 7.132 -4.523 -0.419) 8.456 13.570 ( -6.337 32.818 4.176) 33.684 13.927 ( -22.175 -5.071 1.755) 22.815 14.897 ( -17.144 10.452 2.895) 20.287 14.904 ( -22.661 4.054 5.529) 23.675 15.172 ( 18.752 0.801 5.619) 19.592 15.716 ( 8.667 5.239 1.088) 10.186 16.357 ( 6.980 -13.193 15.204) 21.305 17.017 ( 8.675 -9.142 -18.309) 22.227 ======================= Grid point 361 (148/156) ======================= q-point: ( 0.35 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -5.501 -3.948 0.000) 6.771 2.633 ( -5.096 -0.390 0.000) 5.111 3.334 ( 1.006 -4.059 -0.000) 4.182 4.074 ( 30.874 -1.458 -0.000) 30.909 4.333 ( 8.009 11.887 0.000) 14.334 4.384 ( 4.155 -9.619 -0.000) 10.478 5.670 ( 11.201 -6.290 -0.000) 12.847 5.749 ( 5.497 11.399 0.000) 12.655 6.286 ( -9.628 -2.617 0.000) 9.978 6.460 ( -11.353 3.193 0.000) 11.793 6.919 ( 1.532 3.049 0.000) 3.413 7.165 ( 13.049 -3.561 -0.000) 13.526 7.564 ( 2.158 9.855 0.000) 10.089 7.655 ( 10.782 -3.513 -0.000) 11.340 8.198 ( 0.763 2.747 0.000) 2.851 8.378 ( 3.687 -4.170 -0.000) 5.566 8.570 ( 5.125 -7.255 -0.000) 8.882 8.852 ( 13.138 6.205 -0.000) 14.530 9.238 ( -5.865 1.206 0.000) 5.987 9.773 ( 5.626 2.558 -0.000) 6.181 10.688 ( 3.848 14.894 0.000) 15.383 10.880 ( 7.625 -19.968 -0.000) 21.374 11.201 ( -4.679 4.838 0.000) 6.731 11.248 ( -6.749 1.068 0.000) 6.833 11.442 ( -2.686 -2.161 0.000) 3.447 11.854 ( -11.634 -19.351 -0.000) 22.579 12.376 ( -27.600 -12.969 0.000) 30.495 12.965 ( -16.823 1.981 0.000) 16.939 13.189 ( 4.383 19.900 0.000) 20.377 13.934 ( -8.439 -2.804 0.000) 8.892 14.205 ( -11.212 15.368 0.000) 19.023 15.056 ( 0.293 25.990 0.000) 25.991 15.276 ( -5.244 -20.477 -0.000) 21.138 15.606 ( 3.893 -12.268 -0.000) 12.871 16.498 ( -5.604 -4.465 0.000) 7.165 17.571 ( 20.314 2.995 -0.000) 20.534 ======================= Grid point 366 (149/156) ======================= q-point: ( 0.35 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -0.267 0.310 13.831) 13.837 2.517 ( 18.417 -0.587 10.968) 21.444 3.304 ( -4.632 2.487 -7.415) 9.089 3.401 ( 5.057 -2.745 -9.519) 11.124 4.331 ( -6.615 0.810 -13.481) 15.038 4.472 ( 4.341 -0.742 -21.611) 22.055 5.049 ( 11.326 -0.686 19.172) 22.278 5.426 ( 7.330 1.330 -4.392) 8.648 5.981 ( 4.907 -0.583 39.868) 40.173 6.666 ( -0.931 0.304 14.883) 14.916 6.875 ( -1.579 0.970 -4.633) 4.990 6.975 ( 7.105 -0.692 -1.894) 7.386 7.166 ( -7.495 0.129 -7.342) 10.492 7.979 ( 4.972 -0.156 -36.043) 36.385 8.241 ( -1.745 -1.264 -5.207) 5.635 8.408 ( -0.803 -0.452 1.211) 1.521 8.440 ( 2.896 -3.644 -0.416) 4.673 8.463 ( 5.573 5.421 -0.865) 7.822 8.889 ( -0.758 -0.089 21.332) 21.345 10.181 ( -3.577 -0.459 -25.651) 25.903 10.410 ( 5.112 6.621 -0.981) 8.423 10.493 ( 10.812 -6.476 -6.251) 14.068 11.179 ( 0.520 2.702 4.421) 5.207 11.193 ( 2.046 -2.538 3.326) 4.657 11.926 ( -10.123 3.043 5.942) 12.126 12.319 ( -11.043 -5.978 -9.903) 15.992 13.061 ( -0.005 9.304 3.531) 9.952 13.164 ( 5.402 -6.284 2.638) 8.696 13.729 ( -27.279 -8.246 5.148) 28.959 14.120 ( -6.306 8.785 1.796) 10.962 14.800 ( -9.933 5.542 3.363) 11.861 15.117 ( 14.266 -6.237 5.840) 16.629 15.346 ( -19.145 12.530 6.478) 23.780 15.568 ( -8.876 -16.286 0.204) 18.549 16.236 ( 16.065 3.817 13.843) 21.547 16.922 ( 15.949 -0.063 -16.653) 23.059 ======================= Grid point 403 (150/156) ======================= q-point: (-0.65 -0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 18.618 0.549 -0.000) 18.627 2.729 ( 2.308 -0.767 -0.000) 2.432 3.211 ( -6.929 2.037 0.000) 7.222 3.540 ( 2.798 -19.687 -0.000) 19.885 4.143 ( -5.620 -3.840 0.000) 6.807 4.464 ( 14.506 -7.265 -0.000) 16.224 5.366 ( -0.688 -7.888 -0.000) 7.918 5.753 ( 6.865 -12.393 -0.000) 14.168 6.422 ( -1.917 5.563 0.000) 5.884 6.645 ( -7.945 8.642 0.000) 11.739 6.834 ( -6.991 -0.399 0.000) 7.002 6.950 ( 5.235 -3.516 -0.000) 6.306 7.526 ( 5.145 -8.080 -0.000) 9.579 7.564 ( 10.075 -15.381 -0.000) 18.387 8.129 ( -9.616 2.599 0.000) 9.961 8.221 ( -1.164 3.586 0.000) 3.770 8.426 ( 0.452 -2.234 -0.000) 2.279 8.774 ( 5.847 -10.391 -0.000) 11.923 9.387 ( 2.438 5.072 0.000) 5.627 9.625 ( -5.945 -4.408 0.000) 7.401 10.484 ( -2.706 -6.952 -0.000) 7.460 10.941 ( 22.885 -12.374 -0.000) 26.016 11.166 ( -5.398 0.407 0.000) 5.414 11.355 ( 5.905 -1.698 -0.000) 6.144 11.650 ( -19.026 9.166 0.000) 21.119 11.882 ( 10.866 16.789 0.000) 19.999 12.838 ( -8.670 37.966 0.000) 38.944 13.127 ( -4.698 1.612 0.000) 4.967 13.368 ( 7.791 -5.292 -0.000) 9.418 13.952 ( -11.012 7.894 0.000) 13.549 14.548 ( -29.742 9.327 0.000) 31.170 15.146 ( 18.818 7.845 -0.000) 20.387 15.158 ( -17.498 -8.579 0.000) 19.488 15.582 ( 16.962 5.778 -0.000) 17.920 16.624 ( 5.884 6.399 0.000) 8.693 17.120 ( -3.669 -22.723 -0.000) 23.017 ======================= Grid point 409 (151/156) ======================= q-point: ( 0.35 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 3.400 -13.473 -0.000) 13.895 2.788 ( -2.787 -4.841 -0.000) 5.585 3.411 ( 1.464 -3.541 -0.000) 3.832 3.450 ( 24.462 4.117 -0.000) 24.806 4.058 ( 0.587 3.398 0.000) 3.449 4.511 ( 8.889 -12.294 -0.000) 15.171 5.427 ( 8.054 4.813 -0.000) 9.382 5.638 ( 7.624 -10.249 -0.000) 12.774 6.499 ( -1.487 4.826 0.000) 5.050 6.505 ( -11.156 0.900 0.000) 11.192 6.811 ( -2.996 6.390 0.000) 7.058 7.010 ( 2.728 2.026 -0.000) 3.398 7.470 ( 2.292 -4.139 -0.000) 4.731 7.534 ( 15.571 -12.170 -0.000) 19.763 8.118 ( -4.020 7.258 0.000) 8.297 8.383 ( -0.505 3.872 0.000) 3.905 8.458 ( 11.507 2.268 -0.000) 11.728 8.663 ( 4.266 -10.036 -0.000) 10.906 9.406 ( -8.230 -2.327 0.000) 8.553 9.560 ( 3.906 6.374 0.000) 7.475 10.452 ( 5.996 -0.725 -0.000) 6.039 11.033 ( 16.284 -18.341 -0.000) 24.527 11.141 ( -2.170 4.447 0.000) 4.949 11.347 ( -0.018 -3.694 -0.000) 3.694 11.514 ( -7.700 3.697 0.000) 8.542 12.278 ( -0.059 3.050 0.000) 3.050 12.927 ( -5.655 -0.014 0.000) 5.655 13.235 ( -13.924 -4.668 0.000) 14.686 13.387 ( -31.336 -12.581 0.000) 33.767 13.498 ( -2.608 35.105 0.000) 35.202 14.536 ( -8.393 29.958 0.000) 31.111 14.625 ( -17.526 -8.685 0.000) 19.560 15.602 ( 13.896 -3.037 -0.000) 14.224 15.748 ( -4.587 -7.228 -0.000) 8.561 16.666 ( 0.665 -13.856 -0.000) 13.872 17.030 ( 17.982 9.102 -0.000) 20.154 ======================= Grid point 415 (152/156) ======================= q-point: ( 0.40 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 0.255 0.394 0.000) 0.469 2.722 ( -1.411 -1.599 -0.000) 2.133 3.343 ( -1.076 -4.899 -0.000) 5.016 3.500 ( 22.660 1.573 -0.000) 22.715 4.201 ( 4.526 10.715 0.000) 11.631 4.290 ( 5.079 -9.213 -0.000) 10.520 5.450 ( 10.267 -7.419 -0.000) 12.667 5.577 ( 11.712 9.249 -0.000) 14.924 6.485 ( -9.720 -2.758 0.000) 10.103 6.645 ( -6.160 7.669 0.000) 9.837 6.886 ( -0.661 0.831 0.000) 1.062 6.980 ( 3.874 -6.177 -0.000) 7.291 7.423 ( 12.555 2.302 -0.000) 12.764 7.437 ( 10.698 2.059 -0.000) 10.894 8.223 ( -2.518 2.486 0.000) 3.538 8.306 ( 1.812 -7.313 -0.000) 7.534 8.484 ( 3.484 -6.662 -0.000) 7.518 8.620 ( 10.035 9.107 -0.000) 13.552 9.372 ( -6.986 -0.738 0.000) 7.025 9.666 ( 4.759 2.305 -0.000) 5.288 10.561 ( 8.044 12.702 0.000) 15.035 10.667 ( 12.275 -15.116 -0.000) 19.473 11.240 ( 0.042 5.394 0.000) 5.395 11.267 ( 1.983 -4.593 -0.000) 5.003 11.661 ( -16.735 10.024 0.000) 19.507 12.067 ( -8.566 -19.591 -0.000) 21.382 13.056 ( -34.118 -11.773 0.000) 36.092 13.111 ( 2.449 14.502 0.000) 14.707 13.221 ( -9.243 -5.035 0.000) 10.525 14.061 ( -4.991 11.466 0.000) 12.505 14.528 ( -17.776 7.126 0.000) 19.151 15.128 ( -8.792 27.268 0.000) 28.651 15.395 ( -7.063 -26.612 -0.000) 27.534 15.454 ( 11.161 -11.426 -0.000) 15.972 16.543 ( 1.301 0.941 -0.000) 1.606 17.141 ( 22.497 1.972 -0.000) 22.584 ======================= Grid point 420 (153/156) ======================= q-point: ( 0.40 0.40 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -0.000 -0.000 13.167) 13.167 2.309 ( -0.000 -0.000 13.167) 13.167 3.355 ( 0.000 0.000 -7.419) 7.419 3.355 ( 0.000 0.000 -7.419) 7.419 4.427 ( 0.000 0.000 -21.558) 21.558 4.427 ( 0.000 0.000 -21.558) 21.558 4.909 ( -0.000 -0.000 23.890) 23.890 5.348 ( 0.000 0.000 -5.273) 5.273 5.926 ( -0.000 -0.000 45.369) 45.369 6.684 ( -0.000 -0.000 16.800) 16.800 6.892 ( 0.000 0.000 -3.926) 3.926 6.892 ( 0.000 0.000 -3.926) 3.926 7.248 ( 0.000 0.000 -8.866) 8.866 7.920 ( 0.000 0.000 -39.960) 39.960 8.257 ( 0.000 0.000 -6.973) 6.973 8.401 ( 0.000 0.000 -1.488) 1.488 8.401 ( 0.000 0.000 -1.488) 1.488 8.437 ( -0.000 -0.000 8.823) 8.823 8.900 ( -0.000 -0.000 18.674) 18.674 10.248 ( 0.000 0.000 -30.752) 30.752 10.350 ( 0.000 0.000 -2.027) 2.027 10.350 ( 0.000 0.000 -2.027) 2.027 11.172 ( -0.000 -0.000 3.975) 3.975 11.172 ( -0.000 -0.000 3.975) 3.975 12.026 ( -0.000 -0.000 8.050) 8.050 12.473 ( 0.000 0.000 -14.557) 14.557 13.065 ( -0.000 -0.000 4.133) 4.133 13.065 ( -0.000 -0.000 4.133) 4.133 13.987 ( -0.000 -0.000 10.121) 10.121 14.272 ( 0.000 0.000 -4.139) 4.139 14.901 ( -0.000 -0.000 4.408) 4.408 14.901 ( -0.000 -0.000 4.408) 4.408 15.688 ( -0.000 -0.000 1.153) 1.153 15.688 ( -0.000 -0.000 1.153) 1.153 15.940 ( -0.000 -0.000 21.867) 21.867 16.728 ( 0.000 0.000 -17.003) 17.003 ======================= Grid point 465 (154/156) ======================= q-point: ( 0.40 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 1.167 -12.198 -0.000) 12.254 2.629 ( 15.501 -2.958 -0.000) 15.780 3.265 ( -3.580 2.404 0.000) 4.312 3.355 ( 3.199 -0.604 -0.000) 3.256 4.101 ( -4.097 -0.051 0.000) 4.097 4.320 ( 9.502 -6.681 -0.000) 11.616 5.278 ( 4.974 -0.746 -0.000) 5.029 5.473 ( 8.291 -13.419 -0.000) 15.774 6.541 ( -4.364 7.303 0.000) 8.508 6.753 ( -12.581 0.762 0.000) 12.604 6.910 ( -5.017 5.279 0.000) 7.283 6.935 ( 6.653 3.032 -0.000) 7.311 7.252 ( 10.345 -13.260 -0.000) 16.818 7.340 ( 9.465 -10.007 -0.000) 13.774 8.219 ( -5.376 4.933 0.000) 7.296 8.306 ( 3.143 4.171 0.000) 5.223 8.395 ( -0.383 -0.718 -0.000) 0.814 8.567 ( 5.304 -9.535 -0.000) 10.911 9.506 ( 1.433 6.106 0.000) 6.272 9.545 ( -5.149 -3.243 0.000) 6.085 10.370 ( 1.178 -3.330 -0.000) 3.532 10.664 ( 17.432 -13.949 -0.000) 22.326 11.181 ( -2.054 1.440 0.000) 2.509 11.294 ( 3.663 -3.451 -0.000) 5.033 11.836 ( -19.738 9.126 0.000) 21.746 12.187 ( 7.490 10.794 0.000) 13.138 13.065 ( -7.172 -3.944 0.000) 8.185 13.281 ( 6.576 -3.890 -0.000) 7.641 13.612 ( -7.720 35.733 0.000) 36.558 13.943 ( -21.346 -6.262 0.000) 22.246 14.926 ( -25.182 24.522 0.000) 35.149 14.952 ( -14.289 -11.023 0.000) 18.046 15.243 ( 17.622 1.328 -0.000) 17.672 15.724 ( 8.099 5.503 -0.000) 9.791 16.650 ( -0.024 -21.857 -0.000) 21.857 16.694 ( 15.367 0.817 -0.000) 15.388 ======================= Grid point 471 (155/156) ======================= q-point: ( 0.45 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 1.640 1.314 -0.000) 2.102 2.577 ( 13.311 -1.766 -0.000) 13.428 3.304 ( -1.147 1.908 0.000) 2.227 3.351 ( 0.351 -2.299 -0.000) 2.326 4.158 ( 0.188 5.864 0.000) 5.867 4.199 ( 3.499 -5.433 -0.000) 6.462 5.276 ( 6.544 -5.220 -0.000) 8.371 5.329 ( 10.995 5.429 -0.000) 12.263 6.673 ( -9.265 -7.301 0.000) 11.796 6.732 ( -4.614 11.263 0.000) 12.171 6.951 ( -3.553 -4.092 -0.000) 5.419 6.985 ( -2.340 -1.806 0.000) 2.956 7.156 ( 13.239 5.973 -0.000) 14.524 7.176 ( 13.517 -3.396 -0.000) 13.937 8.285 ( -3.328 1.080 0.000) 3.499 8.311 ( -1.456 -3.269 -0.000) 3.579 8.424 ( 2.598 -3.841 -0.000) 4.637 8.454 ( 6.168 5.632 -0.000) 8.352 9.502 ( -5.438 -0.991 0.000) 5.528 9.590 ( 2.622 1.189 -0.000) 2.879 10.401 ( 6.794 7.489 0.000) 10.111 10.434 ( 9.688 -7.820 -0.000) 12.450 11.226 ( 0.928 2.904 0.000) 3.048 11.230 ( 1.429 -2.807 -0.000) 3.149 12.018 ( -16.618 8.921 0.000) 18.862 12.185 ( -3.379 -11.673 -0.000) 12.152 13.097 ( -0.500 8.156 0.000) 8.171 13.192 ( 5.090 -5.268 -0.000) 7.325 13.783 ( -30.552 -8.784 0.000) 31.790 14.136 ( -2.429 8.898 0.000) 9.224 14.834 ( -11.098 5.849 0.000) 12.546 15.172 ( 15.840 -6.882 -0.000) 17.270 15.420 ( -18.708 20.890 0.000) 28.043 15.570 ( -9.801 -23.560 -0.000) 25.517 16.454 ( 6.641 5.258 -0.000) 8.471 16.676 ( 22.975 -1.932 -0.000) 23.057 ======================= Grid point 527 (156/156) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -0.000 -0.000 0.000) 0.000 2.411 ( -0.000 -0.000 0.000) 0.000 3.344 ( -0.000 -0.000 0.000) 0.000 3.344 ( -0.000 -0.000 0.000) 0.000 4.163 ( -0.000 -0.000 0.000) 0.000 4.163 ( -0.000 -0.000 0.000) 0.000 5.207 ( 0.000 0.000 -9.448) 9.448 5.207 ( -0.000 -0.000 9.448) 9.448 6.853 ( -0.000 -0.000 0.000) 0.000 6.853 ( -0.000 -0.000 0.000) 0.000 6.909 ( 0.000 0.000 -42.900) 42.900 6.909 ( -0.000 -0.000 42.900) 42.900 7.037 ( 0.000 0.000 -24.410) 24.410 7.037 ( -0.000 -0.000 24.410) 24.410 8.332 ( 0.000 0.000 -8.550) 8.550 8.332 ( -0.000 -0.000 8.550) 8.550 8.387 ( -0.000 -0.000 0.000) 0.000 8.387 ( -0.000 -0.000 0.000) 0.000 9.564 ( 0.000 0.000 -36.844) 36.844 9.564 ( -0.000 -0.000 36.844) 36.844 10.327 ( -0.000 -0.000 0.000) 0.000 10.327 ( -0.000 -0.000 0.000) 0.000 11.215 ( -0.000 -0.000 0.000) 0.000 11.215 ( -0.000 -0.000 0.000) 0.000 12.216 ( 0.000 0.000 -11.128) 11.128 12.216 ( -0.000 -0.000 11.128) 11.128 13.106 ( -0.000 -0.000 0.000) 0.000 13.106 ( -0.000 -0.000 0.000) 0.000 14.160 ( 0.000 0.000 -7.157) 7.157 14.160 ( -0.000 -0.000 7.157) 7.157 14.946 ( -0.000 -0.000 0.000) 0.000 14.946 ( -0.000 -0.000 0.000) 0.000 15.701 ( -0.000 -0.000 0.000) 0.000 15.701 ( -0.000 -0.000 0.000) 0.000 16.359 ( 0.000 0.000 -19.891) 19.891 16.359 ( -0.000 -0.000 19.891) 19.891 =================== 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 3/36000 10.0 1024.161 1024.161 2136.310 -0.000 -0.000 -0.000 3/36000 20.0 463.235 463.235 581.139 -0.000 -0.000 -0.000 3/36000 30.0 202.049 202.049 228.181 -0.000 -0.000 -0.000 3/36000 40.0 106.831 106.831 117.466 -0.000 -0.000 -0.000 3/36000 50.0 65.591 65.591 71.238 -0.000 -0.000 -0.000 3/36000 60.0 44.644 44.644 48.105 -0.000 -0.000 -0.000 3/36000 70.0 32.668 32.668 35.021 -0.000 -0.000 -0.000 3/36000 80.0 25.206 25.206 26.939 -0.000 -0.000 -0.000 3/36000 90.0 20.250 20.250 21.606 -0.000 -0.000 -0.000 3/36000 100.0 16.793 16.793 17.898 -0.000 -0.000 -0.000 3/36000 110.0 14.283 14.283 15.210 -0.000 -0.000 -0.000 3/36000 120.0 12.402 12.402 13.193 -0.000 -0.000 -0.000 3/36000 130.0 10.952 10.952 11.635 -0.000 -0.000 -0.000 3/36000 140.0 9.807 9.807 10.403 -0.000 -0.000 -0.000 3/36000 150.0 8.885 8.885 9.406 -0.000 -0.000 -0.000 3/36000 160.0 8.128 8.128 8.587 -0.000 -0.000 -0.000 3/36000 170.0 7.496 7.496 7.901 -0.000 -0.000 -0.000 3/36000 180.0 6.962 6.962 7.320 -0.000 -0.000 -0.000 3/36000 190.0 6.504 6.504 6.822 -0.000 -0.000 -0.000 3/36000 200.0 6.108 6.108 6.390 -0.000 -0.000 -0.000 3/36000 210.0 5.761 5.761 6.012 -0.000 -0.000 -0.000 3/36000 220.0 5.454 5.454 5.678 -0.000 -0.000 -0.000 3/36000 230.0 5.181 5.181 5.381 -0.000 -0.000 -0.000 3/36000 240.0 4.936 4.936 5.115 -0.000 -0.000 -0.000 3/36000 250.0 4.715 4.715 4.876 -0.000 -0.000 -0.000 3/36000 260.0 4.515 4.515 4.658 -0.000 -0.000 -0.000 3/36000 270.0 4.332 4.332 4.461 -0.000 -0.000 -0.000 3/36000 280.0 4.164 4.164 4.280 -0.000 -0.000 -0.000 3/36000 290.0 4.010 4.010 4.114 -0.000 -0.000 -0.000 3/36000 300.0 3.867 3.867 3.961 -0.000 -0.000 -0.000 3/36000 310.0 3.735 3.735 3.820 -0.000 -0.000 -0.000 3/36000 320.0 3.612 3.612 3.688 -0.000 -0.000 -0.000 3/36000 330.0 3.497 3.497 3.566 -0.000 -0.000 -0.000 3/36000 340.0 3.390 3.390 3.452 -0.000 -0.000 -0.000 3/36000 350.0 3.289 3.289 3.345 -0.000 -0.000 -0.000 3/36000 360.0 3.194 3.194 3.245 -0.000 -0.000 -0.000 3/36000 370.0 3.105 3.105 3.151 -0.000 -0.000 -0.000 3/36000 380.0 3.021 3.021 3.062 -0.000 -0.000 -0.000 3/36000 390.0 2.942 2.942 2.979 -0.000 -0.000 -0.000 3/36000 400.0 2.866 2.866 2.900 -0.000 -0.000 -0.000 3/36000 410.0 2.795 2.795 2.825 -0.000 -0.000 -0.000 3/36000 420.0 2.727 2.727 2.754 -0.000 -0.000 -0.000 3/36000 430.0 2.662 2.662 2.687 -0.000 -0.000 -0.000 3/36000 440.0 2.601 2.601 2.622 -0.000 -0.000 -0.000 3/36000 450.0 2.542 2.542 2.561 -0.000 -0.000 -0.000 3/36000 460.0 2.486 2.486 2.503 -0.000 -0.000 -0.000 3/36000 470.0 2.433 2.433 2.448 -0.000 -0.000 -0.000 3/36000 480.0 2.381 2.381 2.395 -0.000 -0.000 -0.000 3/36000 490.0 2.332 2.332 2.344 -0.000 -0.000 -0.000 3/36000 500.0 2.285 2.285 2.295 -0.000 -0.000 -0.000 3/36000 510.0 2.240 2.240 2.249 -0.000 -0.000 -0.000 3/36000 520.0 2.197 2.197 2.204 -0.000 -0.000 -0.000 3/36000 530.0 2.155 2.155 2.161 -0.000 -0.000 -0.000 3/36000 540.0 2.115 2.115 2.120 -0.000 -0.000 -0.000 3/36000 550.0 2.076 2.076 2.080 -0.000 -0.000 -0.000 3/36000 560.0 2.039 2.039 2.042 -0.000 -0.000 -0.000 3/36000 570.0 2.003 2.003 2.005 -0.000 -0.000 -0.000 3/36000 580.0 1.968 1.968 1.970 -0.000 -0.000 -0.000 3/36000 590.0 1.935 1.935 1.935 -0.000 -0.000 -0.000 3/36000 600.0 1.902 1.902 1.902 -0.000 -0.000 -0.000 3/36000 610.0 1.871 1.871 1.870 -0.000 -0.000 -0.000 3/36000 620.0 1.841 1.841 1.839 -0.000 -0.000 -0.000 3/36000 630.0 1.811 1.811 1.810 -0.000 -0.000 -0.000 3/36000 640.0 1.783 1.783 1.781 -0.000 -0.000 -0.000 3/36000 650.0 1.756 1.756 1.753 -0.000 -0.000 -0.000 3/36000 660.0 1.729 1.729 1.726 -0.000 -0.000 -0.000 3/36000 670.0 1.703 1.703 1.699 -0.000 -0.000 -0.000 3/36000 680.0 1.678 1.678 1.674 -0.000 -0.000 -0.000 3/36000 690.0 1.654 1.654 1.649 -0.000 -0.000 -0.000 3/36000 700.0 1.630 1.630 1.625 -0.000 -0.000 -0.000 3/36000 710.0 1.607 1.607 1.602 -0.000 -0.000 -0.000 3/36000 720.0 1.585 1.585 1.579 -0.000 -0.000 -0.000 3/36000 730.0 1.563 1.563 1.557 -0.000 -0.000 -0.000 3/36000 740.0 1.542 1.542 1.536 -0.000 -0.000 -0.000 3/36000 750.0 1.521 1.521 1.515 -0.000 -0.000 -0.000 3/36000 760.0 1.501 1.501 1.495 -0.000 -0.000 -0.000 3/36000 770.0 1.482 1.482 1.475 -0.000 -0.000 -0.000 3/36000 780.0 1.463 1.463 1.456 -0.000 -0.000 -0.000 3/36000 790.0 1.444 1.444 1.438 -0.000 -0.000 -0.000 3/36000 800.0 1.426 1.426 1.419 -0.000 -0.000 -0.000 3/36000 810.0 1.409 1.409 1.402 -0.000 -0.000 -0.000 3/36000 820.0 1.391 1.391 1.384 -0.000 -0.000 -0.000 3/36000 830.0 1.375 1.375 1.367 -0.000 -0.000 -0.000 3/36000 840.0 1.358 1.358 1.351 -0.000 -0.000 -0.000 3/36000 850.0 1.342 1.342 1.335 -0.000 -0.000 -0.000 3/36000 860.0 1.327 1.327 1.319 -0.000 -0.000 -0.000 3/36000 870.0 1.312 1.312 1.304 -0.000 -0.000 -0.000 3/36000 880.0 1.297 1.297 1.289 -0.000 -0.000 -0.000 3/36000 890.0 1.282 1.282 1.274 -0.000 -0.000 -0.000 3/36000 900.0 1.268 1.268 1.260 -0.000 -0.000 -0.000 3/36000 910.0 1.254 1.254 1.246 -0.000 -0.000 -0.000 3/36000 920.0 1.240 1.240 1.232 -0.000 -0.000 -0.000 3/36000 930.0 1.227 1.227 1.219 -0.000 -0.000 -0.000 3/36000 940.0 1.214 1.214 1.206 -0.000 -0.000 -0.000 3/36000 950.0 1.201 1.201 1.193 -0.000 -0.000 -0.000 3/36000 960.0 1.189 1.189 1.180 -0.000 -0.000 -0.000 3/36000 970.0 1.176 1.176 1.168 -0.000 -0.000 -0.000 3/36000 980.0 1.164 1.164 1.156 -0.000 -0.000 -0.000 3/36000 990.0 1.153 1.153 1.144 -0.000 -0.000 -0.000 3/36000 1000.0 1.141 1.141 1.133 -0.000 -0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m51020.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:04:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|