----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:50:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.583235700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.672105050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.859187500000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.30206144621500 6.941 2 Li 0.50000000000000 0.50000000000000 0.69793855378500 6.941 *3 Li 0.76211373155410 0.30169691381090 0.24502171850983 6.941 4 Li 0.23788626844590 0.69830308618910 0.24502171850983 6.941 5 Li 0.26211373155410 0.19830308618910 0.75497828149017 6.941 6 Li 0.73788626844590 0.80169691381090 0.75497828149017 6.941 7 Li 0.73788626844590 0.19830308618910 0.75497828149017 6.941 8 Li 0.26211373155410 0.80169691381090 0.75497828149017 6.941 9 Li 0.76211373155410 0.69830308618910 0.24502171850983 6.941 10 Li 0.23788626844590 0.30169691381090 0.24502171850983 6.941 *11 N 0.73145328793394 0.00000000000000 0.07203341448953 14.007 *12 N 0.00000000000000 0.73036202585576 0.51719028115853 14.007 13 N 0.50000000000000 0.23036202585576 0.48280971884147 14.007 14 N 0.50000000000000 0.76963797414424 0.48280971884147 14.007 15 N 0.26854671206606 0.00000000000000 0.07203341448953 14.007 16 N 0.23145328793394 0.50000000000000 0.92796658551047 14.007 17 N 0.76854671206606 0.50000000000000 0.92796658551047 14.007 18 N 0.00000000000000 0.26963797414424 0.51719028115853 14.007 *19 Re 0.50000000000000 0.00000000000000 0.27819788591906 186.207 20 Re 0.00000000000000 0.50000000000000 0.72180211408094 186.207 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.583235700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.672105050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.859187500000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.30206144621500 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.69793855378500 6.941 > 2 *3 Li 0.76211373155410 0.30169691381090 0.24502171850983 6.941 > 3 4 Li 0.23788626844590 0.69830308618910 0.24502171850983 6.941 > 4 5 Li 0.26211373155410 0.19830308618910 0.75497828149017 6.941 > 5 6 Li 0.73788626844590 0.80169691381090 0.75497828149017 6.941 > 6 7 Li 0.73788626844590 0.19830308618910 0.75497828149017 6.941 > 7 8 Li 0.26211373155410 0.80169691381090 0.75497828149017 6.941 > 8 9 Li 0.76211373155410 0.69830308618910 0.24502171850983 6.941 > 9 10 Li 0.23788626844590 0.30169691381090 0.24502171850983 6.941 > 10 *11 N 0.73145328793394 0.00000000000000 0.07203341448953 14.007 > 11 *12 N 0.00000000000000 0.73036202585576 0.51719028115853 14.007 > 12 13 N 0.50000000000000 0.23036202585576 0.48280971884147 14.007 > 13 14 N 0.50000000000000 0.76963797414424 0.48280971884147 14.007 > 14 15 N 0.26854671206606 0.00000000000000 0.07203341448953 14.007 > 15 16 N 0.23145328793394 0.50000000000000 0.92796658551047 14.007 > 16 17 N 0.76854671206606 0.50000000000000 0.92796658551047 14.007 > 17 18 N 0.00000000000000 0.26963797414424 0.51719028115853 14.007 > 18 *19 Re 0.50000000000000 0.00000000000000 0.27819788591906 186.207 > 19 20 Re 0.00000000000000 0.50000000000000 0.72180211408094 186.207 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.166471400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.672105050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.718375000000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.15103072310750 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.15103072310750 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.65103072310750 6.941 > 1 4 Li 0.50000000000000 0.00000000000000 0.65103072310750 6.941 > 1 5 Li 0.25000000000000 0.50000000000000 0.34896927689250 6.941 > 2 6 Li 0.75000000000000 0.50000000000000 0.34896927689250 6.941 > 2 7 Li 0.25000000000000 0.50000000000000 0.84896927689250 6.941 > 2 8 Li 0.75000000000000 0.50000000000000 0.84896927689250 6.941 > 2 *9 Li 0.38105686577705 0.30169691381090 0.12251085925491 6.941 > 3 10 Li 0.88105686577705 0.30169691381090 0.12251085925491 6.941 > 3 11 Li 0.38105686577705 0.30169691381090 0.62251085925491 6.941 > 3 12 Li 0.88105686577705 0.30169691381090 0.62251085925491 6.941 > 3 13 Li 0.11894313422295 0.69830308618910 0.12251085925491 6.941 > 4 14 Li 0.61894313422295 0.69830308618910 0.12251085925491 6.941 > 4 15 Li 0.11894313422295 0.69830308618910 0.62251085925491 6.941 > 4 16 Li 0.61894313422295 0.69830308618910 0.62251085925491 6.941 > 4 17 Li 0.13105686577705 0.19830308618910 0.37748914074509 6.941 > 5 18 Li 0.63105686577705 0.19830308618910 0.37748914074509 6.941 > 5 19 Li 0.13105686577705 0.19830308618910 0.87748914074509 6.941 > 5 20 Li 0.63105686577705 0.19830308618910 0.87748914074509 6.941 > 5 21 Li 0.36894313422295 0.80169691381090 0.37748914074509 6.941 > 6 22 Li 0.86894313422295 0.80169691381090 0.37748914074509 6.941 > 6 23 Li 0.36894313422295 0.80169691381090 0.87748914074509 6.941 > 6 24 Li 0.86894313422295 0.80169691381090 0.87748914074509 6.941 > 6 25 Li 0.36894313422295 0.19830308618910 0.37748914074509 6.941 > 7 26 Li 0.86894313422295 0.19830308618910 0.37748914074509 6.941 > 7 27 Li 0.36894313422295 0.19830308618910 0.87748914074509 6.941 > 7 28 Li 0.86894313422295 0.19830308618910 0.87748914074509 6.941 > 7 29 Li 0.13105686577705 0.80169691381090 0.37748914074509 6.941 > 8 30 Li 0.63105686577705 0.80169691381090 0.37748914074509 6.941 > 8 31 Li 0.13105686577705 0.80169691381090 0.87748914074509 6.941 > 8 32 Li 0.63105686577705 0.80169691381090 0.87748914074509 6.941 > 8 33 Li 0.38105686577705 0.69830308618910 0.12251085925491 6.941 > 9 34 Li 0.88105686577705 0.69830308618910 0.12251085925491 6.941 > 9 35 Li 0.38105686577705 0.69830308618910 0.62251085925491 6.941 > 9 36 Li 0.88105686577705 0.69830308618910 0.62251085925491 6.941 > 9 37 Li 0.11894313422295 0.30169691381090 0.12251085925491 6.941 > 10 38 Li 0.61894313422295 0.30169691381090 0.12251085925491 6.941 > 10 39 Li 0.11894313422295 0.30169691381090 0.62251085925491 6.941 > 10 40 Li 0.61894313422295 0.30169691381090 0.62251085925491 6.941 > 10 *41 N 0.36572664396697 0.00000000000000 0.03601670724476 14.007 > 11 42 N 0.86572664396697 0.00000000000000 0.03601670724476 14.007 > 11 43 N 0.36572664396697 0.00000000000000 0.53601670724476 14.007 > 11 44 N 0.86572664396697 0.00000000000000 0.53601670724476 14.007 > 11 *45 N 0.00000000000000 0.73036202585576 0.25859514057926 14.007 > 12 46 N 0.50000000000000 0.73036202585576 0.25859514057926 14.007 > 12 47 N 0.00000000000000 0.73036202585576 0.75859514057926 14.007 > 12 48 N 0.50000000000000 0.73036202585576 0.75859514057926 14.007 > 12 49 N 0.25000000000000 0.23036202585576 0.24140485942074 14.007 > 13 50 N 0.75000000000000 0.23036202585576 0.24140485942074 14.007 > 13 51 N 0.25000000000000 0.23036202585576 0.74140485942074 14.007 > 13 52 N 0.75000000000000 0.23036202585576 0.74140485942074 14.007 > 13 53 N 0.25000000000000 0.76963797414424 0.24140485942074 14.007 > 14 54 N 0.75000000000000 0.76963797414424 0.24140485942074 14.007 > 14 55 N 0.25000000000000 0.76963797414424 0.74140485942074 14.007 > 14 56 N 0.75000000000000 0.76963797414424 0.74140485942074 14.007 > 14 57 N 0.13427335603303 0.00000000000000 0.03601670724476 14.007 > 15 58 N 0.63427335603303 0.00000000000000 0.03601670724476 14.007 > 15 59 N 0.13427335603303 0.00000000000000 0.53601670724476 14.007 > 15 60 N 0.63427335603303 0.00000000000000 0.53601670724476 14.007 > 15 61 N 0.11572664396697 0.50000000000000 0.46398329275524 14.007 > 16 62 N 0.61572664396697 0.50000000000000 0.46398329275524 14.007 > 16 63 N 0.11572664396697 0.50000000000000 0.96398329275524 14.007 > 16 64 N 0.61572664396697 0.50000000000000 0.96398329275524 14.007 > 16 65 N 0.38427335603303 0.50000000000000 0.46398329275524 14.007 > 17 66 N 0.88427335603303 0.50000000000000 0.46398329275524 14.007 > 17 67 N 0.38427335603303 0.50000000000000 0.96398329275524 14.007 > 17 68 N 0.88427335603303 0.50000000000000 0.96398329275524 14.007 > 17 69 N 0.00000000000000 0.26963797414424 0.25859514057926 14.007 > 18 70 N 0.50000000000000 0.26963797414424 0.25859514057926 14.007 > 18 71 N 0.00000000000000 0.26963797414424 0.75859514057926 14.007 > 18 72 N 0.50000000000000 0.26963797414424 0.75859514057926 14.007 > 18 *73 Re 0.25000000000000 0.00000000000000 0.13909894295953 186.207 > 19 74 Re 0.75000000000000 0.00000000000000 0.13909894295953 186.207 > 19 75 Re 0.25000000000000 0.00000000000000 0.63909894295953 186.207 > 19 76 Re 0.75000000000000 0.00000000000000 0.63909894295953 186.207 > 19 77 Re 0.00000000000000 0.50000000000000 0.36090105704047 186.207 > 20 78 Re 0.50000000000000 0.50000000000000 0.36090105704047 186.207 > 20 79 Re 0.00000000000000 0.50000000000000 0.86090105704047 186.207 > 20 80 Re 0.50000000000000 0.50000000000000 0.86090105704047 186.207 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4797100 0.0000000 0.0000000 0.0000000 4.7340675 0.0000000 0.0000000 0.0000000 4.1579701 -------------------------- Born effective charges -------------------------- 1 Li 1.4473511 0.0000000 0.0000000 0.0000000 1.4985293 0.0000000 0.0000000 0.0000000 0.8049214 2 Li 1.4473511 0.0000000 0.0000000 0.0000000 1.4985293 0.0000000 0.0000000 0.0000000 0.8049214 3 Li 0.8623637 0.5054506 -0.0482763 0.5207457 0.9377813 -0.0321563 0.2325127 -0.3059840 0.9607685 4 Li 0.8623637 0.5054506 0.0482763 0.5207457 0.9377813 0.0321563 -0.2325127 0.3059840 0.9607685 5 Li 0.8623637 -0.5054506 0.0482763 -0.5207457 0.9377813 -0.0321563 -0.2325127 -0.3059840 0.9607685 6 Li 0.8623637 -0.5054506 -0.0482763 -0.5207457 0.9377813 0.0321563 0.2325127 0.3059840 0.9607685 7 Li 0.8623637 0.5054506 -0.0482763 0.5207457 0.9377813 -0.0321563 0.2325127 -0.3059840 0.9607685 8 Li 0.8623637 0.5054506 0.0482763 0.5207457 0.9377813 0.0321563 -0.2325127 0.3059840 0.9607685 9 Li 0.8623637 -0.5054506 -0.0482763 -0.5207457 0.9377813 0.0321563 0.2325127 0.3059840 0.9607685 10 Li 0.8623637 -0.5054506 0.0482763 -0.5207457 0.9377813 -0.0321563 -0.2325127 -0.3059840 0.9607685 11 N -2.5719657 0.0000000 1.0396939 0.0000000 -1.2129171 0.0000000 0.8359377 0.0000000 -1.7132343 12 N -1.1886791 0.0000000 0.0000000 0.0000000 -2.7182409 1.0842874 0.0000000 0.8752980 -1.5723026 13 N -1.1886791 0.0000000 0.0000000 0.0000000 -2.7182409 -1.0842874 0.0000000 -0.8752980 -1.5723026 14 N -1.1886791 0.0000000 0.0000000 0.0000000 -2.7182409 1.0842874 0.0000000 0.8752980 -1.5723026 15 N -2.5719657 0.0000000 -1.0396939 0.0000000 -1.2129171 0.0000000 -0.8359377 0.0000000 -1.7132343 16 N -2.5719657 0.0000000 -1.0396939 0.0000000 -1.2129171 0.0000000 -0.8359377 0.0000000 -1.7132343 17 N -2.5719657 0.0000000 1.0396939 0.0000000 -1.2129171 0.0000000 0.8359377 0.0000000 -1.7132343 18 N -1.1886791 0.0000000 0.0000000 0.0000000 -2.7182409 -1.0842874 0.0000000 -0.8752980 -1.5723026 19 Re 2.6244840 0.0000000 0.0000000 0.0000000 2.6126615 0.0000000 0.0000000 0.0000000 1.9230785 20 Re 2.6244840 0.0000000 0.0000000 0.0000000 2.6126615 0.0000000 0.0000000 0.0000000 1.9230785 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1016 Number of blocks in projector: 1016 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (1016, 991), data: False |-- (156, 154), data: True |-- (156, 151), data: True |-- (156, 151), data: True |-- (156, 151), data: True |-- (180, 176), data: True |-- (212, 208), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.776 Solver_block: 200 / 320 - Time: 0.765 Solver_block: 300 / 320 - Time: 0.767 Solver_block: 320 / 320 - Time: 0.198 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.525 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1016 Number of blocks in projector: 1016 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (1016, 991), data: False |-- (156, 154), data: True |-- (156, 151), data: True |-- (156, 151), data: True |-- (156, 151), data: True |-- (180, 176), data: True |-- (212, 208), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:50:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:50:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.583235700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.672105050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.859187500000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.30206144621500 6.941 2 Li 0.50000000000000 0.50000000000000 0.69793855378500 6.941 3 Li 0.76211373155410 0.30169691381090 0.24502171850983 6.941 4 Li 0.23788626844590 0.69830308618910 0.24502171850983 6.941 5 Li 0.26211373155410 0.19830308618910 0.75497828149017 6.941 6 Li 0.73788626844590 0.80169691381090 0.75497828149017 6.941 7 Li 0.73788626844590 0.19830308618910 0.75497828149017 6.941 8 Li 0.26211373155410 0.80169691381090 0.75497828149017 6.941 9 Li 0.76211373155410 0.69830308618910 0.24502171850983 6.941 10 Li 0.23788626844590 0.30169691381090 0.24502171850983 6.941 11 N 0.73145328793394 0.00000000000000 0.07203341448953 14.007 12 N 0.00000000000000 0.73036202585576 0.51719028115853 14.007 13 N 0.50000000000000 0.23036202585576 0.48280971884147 14.007 14 N 0.50000000000000 0.76963797414424 0.48280971884147 14.007 15 N 0.26854671206606 0.00000000000000 0.07203341448953 14.007 16 N 0.23145328793394 0.50000000000000 0.92796658551047 14.007 17 N 0.76854671206606 0.50000000000000 0.92796658551047 14.007 18 N 0.00000000000000 0.26963797414424 0.51719028115853 14.007 19 Re 0.50000000000000 0.00000000000000 0.27819788591906 186.207 20 Re 0.00000000000000 0.50000000000000 0.72180211408094 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.166471400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.672105050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.718375000000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.15103072310750 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.15103072310750 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.65103072310750 6.941 > 1 4 Li 0.50000000000000 0.00000000000000 0.65103072310750 6.941 > 1 5 Li 0.25000000000000 0.50000000000000 0.34896927689250 6.941 > 5 6 Li 0.75000000000000 0.50000000000000 0.34896927689250 6.941 > 5 7 Li 0.25000000000000 0.50000000000000 0.84896927689250 6.941 > 5 8 Li 0.75000000000000 0.50000000000000 0.84896927689250 6.941 > 5 9 Li 0.38105686577705 0.30169691381090 0.12251085925491 6.941 > 9 10 Li 0.88105686577705 0.30169691381090 0.12251085925491 6.941 > 9 11 Li 0.38105686577705 0.30169691381090 0.62251085925491 6.941 > 9 12 Li 0.88105686577705 0.30169691381090 0.62251085925491 6.941 > 9 13 Li 0.11894313422295 0.69830308618910 0.12251085925491 6.941 > 13 14 Li 0.61894313422295 0.69830308618910 0.12251085925491 6.941 > 13 15 Li 0.11894313422295 0.69830308618910 0.62251085925491 6.941 > 13 16 Li 0.61894313422295 0.69830308618910 0.62251085925491 6.941 > 13 17 Li 0.13105686577705 0.19830308618910 0.37748914074509 6.941 > 17 18 Li 0.63105686577705 0.19830308618910 0.37748914074509 6.941 > 17 19 Li 0.13105686577705 0.19830308618910 0.87748914074509 6.941 > 17 20 Li 0.63105686577705 0.19830308618910 0.87748914074509 6.941 > 17 21 Li 0.36894313422295 0.80169691381090 0.37748914074509 6.941 > 21 22 Li 0.86894313422295 0.80169691381090 0.37748914074509 6.941 > 21 23 Li 0.36894313422295 0.80169691381090 0.87748914074509 6.941 > 21 24 Li 0.86894313422295 0.80169691381090 0.87748914074509 6.941 > 21 25 Li 0.36894313422295 0.19830308618910 0.37748914074509 6.941 > 25 26 Li 0.86894313422295 0.19830308618910 0.37748914074509 6.941 > 25 27 Li 0.36894313422295 0.19830308618910 0.87748914074509 6.941 > 25 28 Li 0.86894313422295 0.19830308618910 0.87748914074509 6.941 > 25 29 Li 0.13105686577705 0.80169691381090 0.37748914074509 6.941 > 29 30 Li 0.63105686577705 0.80169691381090 0.37748914074509 6.941 > 29 31 Li 0.13105686577705 0.80169691381090 0.87748914074509 6.941 > 29 32 Li 0.63105686577705 0.80169691381090 0.87748914074509 6.941 > 29 33 Li 0.38105686577705 0.69830308618910 0.12251085925491 6.941 > 33 34 Li 0.88105686577705 0.69830308618910 0.12251085925491 6.941 > 33 35 Li 0.38105686577705 0.69830308618910 0.62251085925491 6.941 > 33 36 Li 0.88105686577705 0.69830308618910 0.62251085925491 6.941 > 33 37 Li 0.11894313422295 0.30169691381090 0.12251085925491 6.941 > 37 38 Li 0.61894313422295 0.30169691381090 0.12251085925491 6.941 > 37 39 Li 0.11894313422295 0.30169691381090 0.62251085925491 6.941 > 37 40 Li 0.61894313422295 0.30169691381090 0.62251085925491 6.941 > 37 41 N 0.36572664396697 0.00000000000000 0.03601670724476 14.007 > 41 42 N 0.86572664396697 0.00000000000000 0.03601670724476 14.007 > 41 43 N 0.36572664396697 0.00000000000000 0.53601670724476 14.007 > 41 44 N 0.86572664396697 0.00000000000000 0.53601670724476 14.007 > 41 45 N 0.00000000000000 0.73036202585576 0.25859514057926 14.007 > 45 46 N 0.50000000000000 0.73036202585576 0.25859514057926 14.007 > 45 47 N 0.00000000000000 0.73036202585576 0.75859514057926 14.007 > 45 48 N 0.50000000000000 0.73036202585576 0.75859514057926 14.007 > 45 49 N 0.25000000000000 0.23036202585576 0.24140485942074 14.007 > 49 50 N 0.75000000000000 0.23036202585576 0.24140485942074 14.007 > 49 51 N 0.25000000000000 0.23036202585576 0.74140485942074 14.007 > 49 52 N 0.75000000000000 0.23036202585576 0.74140485942074 14.007 > 49 53 N 0.25000000000000 0.76963797414424 0.24140485942074 14.007 > 53 54 N 0.75000000000000 0.76963797414424 0.24140485942074 14.007 > 53 55 N 0.25000000000000 0.76963797414424 0.74140485942074 14.007 > 53 56 N 0.75000000000000 0.76963797414424 0.74140485942074 14.007 > 53 57 N 0.13427335603303 0.00000000000000 0.03601670724476 14.007 > 57 58 N 0.63427335603303 0.00000000000000 0.03601670724476 14.007 > 57 59 N 0.13427335603303 0.00000000000000 0.53601670724476 14.007 > 57 60 N 0.63427335603303 0.00000000000000 0.53601670724476 14.007 > 57 61 N 0.11572664396697 0.50000000000000 0.46398329275524 14.007 > 61 62 N 0.61572664396697 0.50000000000000 0.46398329275524 14.007 > 61 63 N 0.11572664396697 0.50000000000000 0.96398329275524 14.007 > 61 64 N 0.61572664396697 0.50000000000000 0.96398329275524 14.007 > 61 65 N 0.38427335603303 0.50000000000000 0.46398329275524 14.007 > 65 66 N 0.88427335603303 0.50000000000000 0.46398329275524 14.007 > 65 67 N 0.38427335603303 0.50000000000000 0.96398329275524 14.007 > 65 68 N 0.88427335603303 0.50000000000000 0.96398329275524 14.007 > 65 69 N 0.00000000000000 0.26963797414424 0.25859514057926 14.007 > 69 70 N 0.50000000000000 0.26963797414424 0.25859514057926 14.007 > 69 71 N 0.00000000000000 0.26963797414424 0.75859514057926 14.007 > 69 72 N 0.50000000000000 0.26963797414424 0.75859514057926 14.007 > 69 73 Re 0.25000000000000 0.00000000000000 0.13909894295953 186.207 > 73 74 Re 0.75000000000000 0.00000000000000 0.13909894295953 186.207 > 73 75 Re 0.25000000000000 0.00000000000000 0.63909894295953 186.207 > 73 76 Re 0.75000000000000 0.00000000000000 0.63909894295953 186.207 > 73 77 Re 0.00000000000000 0.50000000000000 0.36090105704047 186.207 > 77 78 Re 0.50000000000000 0.50000000000000 0.36090105704047 186.207 > 77 79 Re 0.00000000000000 0.50000000000000 0.86090105704047 186.207 > 77 80 Re 0.50000000000000 0.50000000000000 0.86090105704047 186.207 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4797100 0.0000000 0.0000000 0.0000000 4.7340675 0.0000000 0.0000000 0.0000000 4.1579701 -------------------------- Born effective charges -------------------------- 1 Li 1.4473511 0.0000000 0.0000000 0.0000000 1.4985293 0.0000000 0.0000000 0.0000000 0.8049214 2 Li 1.4473511 0.0000000 0.0000000 0.0000000 1.4985293 0.0000000 0.0000000 0.0000000 0.8049214 3 Li 0.8623637 0.5054506 -0.0482763 0.5207457 0.9377813 -0.0321563 0.2325127 -0.3059840 0.9607685 4 Li 0.8623637 0.5054506 0.0482763 0.5207457 0.9377813 0.0321563 -0.2325127 0.3059840 0.9607685 5 Li 0.8623637 -0.5054506 0.0482763 -0.5207457 0.9377813 -0.0321563 -0.2325127 -0.3059840 0.9607685 6 Li 0.8623637 -0.5054506 -0.0482763 -0.5207457 0.9377813 0.0321563 0.2325127 0.3059840 0.9607685 7 Li 0.8623637 0.5054506 -0.0482763 0.5207457 0.9377813 -0.0321563 0.2325127 -0.3059840 0.9607685 8 Li 0.8623637 0.5054506 0.0482763 0.5207457 0.9377813 0.0321563 -0.2325127 0.3059840 0.9607685 9 Li 0.8623637 -0.5054506 -0.0482763 -0.5207457 0.9377813 0.0321563 0.2325127 0.3059840 0.9607685 10 Li 0.8623637 -0.5054506 0.0482763 -0.5207457 0.9377813 -0.0321563 -0.2325127 -0.3059840 0.9607685 11 N -2.5719657 0.0000000 1.0396939 0.0000000 -1.2129171 0.0000000 0.8359377 0.0000000 -1.7132343 12 N -1.1886791 0.0000000 0.0000000 0.0000000 -2.7182409 1.0842874 0.0000000 0.8752980 -1.5723026 13 N -1.1886791 0.0000000 0.0000000 0.0000000 -2.7182409 -1.0842874 0.0000000 -0.8752980 -1.5723026 14 N -1.1886791 0.0000000 0.0000000 0.0000000 -2.7182409 1.0842874 0.0000000 0.8752980 -1.5723026 15 N -2.5719657 0.0000000 -1.0396939 0.0000000 -1.2129171 0.0000000 -0.8359377 0.0000000 -1.7132343 16 N -2.5719657 0.0000000 -1.0396939 0.0000000 -1.2129171 0.0000000 -0.8359377 0.0000000 -1.7132343 17 N -2.5719657 0.0000000 1.0396939 0.0000000 -1.2129171 0.0000000 0.8359377 0.0000000 -1.7132343 18 N -1.1886791 0.0000000 0.0000000 0.0000000 -2.7182409 -1.0842874 0.0000000 -0.8752980 -1.5723026 19 Re 2.6244840 0.0000000 0.0000000 0.0000000 2.6126615 0.0000000 0.0000000 0.0000000 1.9230785 20 Re 2.6244840 0.0000000 0.0000000 0.0000000 2.6126615 0.0000000 0.0000000 0.0000000 1.9230785 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, 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: 0.00000030 (zzz) 0.00000030 (zzz) 0.00000030 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:50:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:50:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.583235700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.672105050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.859187500000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.30206144621500 6.941 2 Li 0.50000000000000 0.50000000000000 0.69793855378500 6.941 3 Li 0.76211373155410 0.30169691381090 0.24502171850983 6.941 4 Li 0.23788626844590 0.69830308618910 0.24502171850983 6.941 5 Li 0.26211373155410 0.19830308618910 0.75497828149017 6.941 6 Li 0.73788626844590 0.80169691381090 0.75497828149017 6.941 7 Li 0.73788626844590 0.19830308618910 0.75497828149017 6.941 8 Li 0.26211373155410 0.80169691381090 0.75497828149017 6.941 9 Li 0.76211373155410 0.69830308618910 0.24502171850983 6.941 10 Li 0.23788626844590 0.30169691381090 0.24502171850983 6.941 11 N 0.73145328793394 0.00000000000000 0.07203341448953 14.007 12 N 0.00000000000000 0.73036202585576 0.51719028115853 14.007 13 N 0.50000000000000 0.23036202585576 0.48280971884147 14.007 14 N 0.50000000000000 0.76963797414424 0.48280971884147 14.007 15 N 0.26854671206606 0.00000000000000 0.07203341448953 14.007 16 N 0.23145328793394 0.50000000000000 0.92796658551047 14.007 17 N 0.76854671206606 0.50000000000000 0.92796658551047 14.007 18 N 0.00000000000000 0.26963797414424 0.51719028115853 14.007 19 Re 0.50000000000000 0.00000000000000 0.27819788591906 186.207 20 Re 0.00000000000000 0.50000000000000 0.72180211408094 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.166471400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.672105050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.718375000000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.15103072310750 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.15103072310750 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.65103072310750 6.941 > 1 4 Li 0.50000000000000 0.00000000000000 0.65103072310750 6.941 > 1 5 Li 0.25000000000000 0.50000000000000 0.34896927689250 6.941 > 5 6 Li 0.75000000000000 0.50000000000000 0.34896927689250 6.941 > 5 7 Li 0.25000000000000 0.50000000000000 0.84896927689250 6.941 > 5 8 Li 0.75000000000000 0.50000000000000 0.84896927689250 6.941 > 5 9 Li 0.38105686577705 0.30169691381090 0.12251085925491 6.941 > 9 10 Li 0.88105686577705 0.30169691381090 0.12251085925491 6.941 > 9 11 Li 0.38105686577705 0.30169691381090 0.62251085925491 6.941 > 9 12 Li 0.88105686577705 0.30169691381090 0.62251085925491 6.941 > 9 13 Li 0.11894313422295 0.69830308618910 0.12251085925491 6.941 > 13 14 Li 0.61894313422295 0.69830308618910 0.12251085925491 6.941 > 13 15 Li 0.11894313422295 0.69830308618910 0.62251085925491 6.941 > 13 16 Li 0.61894313422295 0.69830308618910 0.62251085925491 6.941 > 13 17 Li 0.13105686577705 0.19830308618910 0.37748914074509 6.941 > 17 18 Li 0.63105686577705 0.19830308618910 0.37748914074509 6.941 > 17 19 Li 0.13105686577705 0.19830308618910 0.87748914074509 6.941 > 17 20 Li 0.63105686577705 0.19830308618910 0.87748914074509 6.941 > 17 21 Li 0.36894313422295 0.80169691381090 0.37748914074509 6.941 > 21 22 Li 0.86894313422295 0.80169691381090 0.37748914074509 6.941 > 21 23 Li 0.36894313422295 0.80169691381090 0.87748914074509 6.941 > 21 24 Li 0.86894313422295 0.80169691381090 0.87748914074509 6.941 > 21 25 Li 0.36894313422295 0.19830308618910 0.37748914074509 6.941 > 25 26 Li 0.86894313422295 0.19830308618910 0.37748914074509 6.941 > 25 27 Li 0.36894313422295 0.19830308618910 0.87748914074509 6.941 > 25 28 Li 0.86894313422295 0.19830308618910 0.87748914074509 6.941 > 25 29 Li 0.13105686577705 0.80169691381090 0.37748914074509 6.941 > 29 30 Li 0.63105686577705 0.80169691381090 0.37748914074509 6.941 > 29 31 Li 0.13105686577705 0.80169691381090 0.87748914074509 6.941 > 29 32 Li 0.63105686577705 0.80169691381090 0.87748914074509 6.941 > 29 33 Li 0.38105686577705 0.69830308618910 0.12251085925491 6.941 > 33 34 Li 0.88105686577705 0.69830308618910 0.12251085925491 6.941 > 33 35 Li 0.38105686577705 0.69830308618910 0.62251085925491 6.941 > 33 36 Li 0.88105686577705 0.69830308618910 0.62251085925491 6.941 > 33 37 Li 0.11894313422295 0.30169691381090 0.12251085925491 6.941 > 37 38 Li 0.61894313422295 0.30169691381090 0.12251085925491 6.941 > 37 39 Li 0.11894313422295 0.30169691381090 0.62251085925491 6.941 > 37 40 Li 0.61894313422295 0.30169691381090 0.62251085925491 6.941 > 37 41 N 0.36572664396697 0.00000000000000 0.03601670724476 14.007 > 41 42 N 0.86572664396697 0.00000000000000 0.03601670724476 14.007 > 41 43 N 0.36572664396697 0.00000000000000 0.53601670724476 14.007 > 41 44 N 0.86572664396697 0.00000000000000 0.53601670724476 14.007 > 41 45 N 0.00000000000000 0.73036202585576 0.25859514057926 14.007 > 45 46 N 0.50000000000000 0.73036202585576 0.25859514057926 14.007 > 45 47 N 0.00000000000000 0.73036202585576 0.75859514057926 14.007 > 45 48 N 0.50000000000000 0.73036202585576 0.75859514057926 14.007 > 45 49 N 0.25000000000000 0.23036202585576 0.24140485942074 14.007 > 49 50 N 0.75000000000000 0.23036202585576 0.24140485942074 14.007 > 49 51 N 0.25000000000000 0.23036202585576 0.74140485942074 14.007 > 49 52 N 0.75000000000000 0.23036202585576 0.74140485942074 14.007 > 49 53 N 0.25000000000000 0.76963797414424 0.24140485942074 14.007 > 53 54 N 0.75000000000000 0.76963797414424 0.24140485942074 14.007 > 53 55 N 0.25000000000000 0.76963797414424 0.74140485942074 14.007 > 53 56 N 0.75000000000000 0.76963797414424 0.74140485942074 14.007 > 53 57 N 0.13427335603303 0.00000000000000 0.03601670724476 14.007 > 57 58 N 0.63427335603303 0.00000000000000 0.03601670724476 14.007 > 57 59 N 0.13427335603303 0.00000000000000 0.53601670724476 14.007 > 57 60 N 0.63427335603303 0.00000000000000 0.53601670724476 14.007 > 57 61 N 0.11572664396697 0.50000000000000 0.46398329275524 14.007 > 61 62 N 0.61572664396697 0.50000000000000 0.46398329275524 14.007 > 61 63 N 0.11572664396697 0.50000000000000 0.96398329275524 14.007 > 61 64 N 0.61572664396697 0.50000000000000 0.96398329275524 14.007 > 61 65 N 0.38427335603303 0.50000000000000 0.46398329275524 14.007 > 65 66 N 0.88427335603303 0.50000000000000 0.46398329275524 14.007 > 65 67 N 0.38427335603303 0.50000000000000 0.96398329275524 14.007 > 65 68 N 0.88427335603303 0.50000000000000 0.96398329275524 14.007 > 65 69 N 0.00000000000000 0.26963797414424 0.25859514057926 14.007 > 69 70 N 0.50000000000000 0.26963797414424 0.25859514057926 14.007 > 69 71 N 0.00000000000000 0.26963797414424 0.75859514057926 14.007 > 69 72 N 0.50000000000000 0.26963797414424 0.75859514057926 14.007 > 69 73 Re 0.25000000000000 0.00000000000000 0.13909894295953 186.207 > 73 74 Re 0.75000000000000 0.00000000000000 0.13909894295953 186.207 > 73 75 Re 0.25000000000000 0.00000000000000 0.63909894295953 186.207 > 73 76 Re 0.75000000000000 0.00000000000000 0.63909894295953 186.207 > 73 77 Re 0.00000000000000 0.50000000000000 0.36090105704047 186.207 > 77 78 Re 0.50000000000000 0.50000000000000 0.36090105704047 186.207 > 77 79 Re 0.00000000000000 0.50000000000000 0.86090105704047 186.207 > 77 80 Re 0.50000000000000 0.50000000000000 0.86090105704047 186.207 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4797100 0.0000000 0.0000000 0.0000000 4.7340675 0.0000000 0.0000000 0.0000000 4.1579701 -------------------------- Born effective charges -------------------------- 1 Li 1.4473511 0.0000000 0.0000000 0.0000000 1.4985293 0.0000000 0.0000000 0.0000000 0.8049214 2 Li 1.4473511 0.0000000 0.0000000 0.0000000 1.4985293 0.0000000 0.0000000 0.0000000 0.8049214 3 Li 0.8623637 0.5054506 -0.0482763 0.5207457 0.9377813 -0.0321563 0.2325127 -0.3059840 0.9607685 4 Li 0.8623637 0.5054506 0.0482763 0.5207457 0.9377813 0.0321563 -0.2325127 0.3059840 0.9607685 5 Li 0.8623637 -0.5054506 0.0482763 -0.5207457 0.9377813 -0.0321563 -0.2325127 -0.3059840 0.9607685 6 Li 0.8623637 -0.5054506 -0.0482763 -0.5207457 0.9377813 0.0321563 0.2325127 0.3059840 0.9607685 7 Li 0.8623637 0.5054506 -0.0482763 0.5207457 0.9377813 -0.0321563 0.2325127 -0.3059840 0.9607685 8 Li 0.8623637 0.5054506 0.0482763 0.5207457 0.9377813 0.0321563 -0.2325127 0.3059840 0.9607685 9 Li 0.8623637 -0.5054506 -0.0482763 -0.5207457 0.9377813 0.0321563 0.2325127 0.3059840 0.9607685 10 Li 0.8623637 -0.5054506 0.0482763 -0.5207457 0.9377813 -0.0321563 -0.2325127 -0.3059840 0.9607685 11 N -2.5719657 0.0000000 1.0396939 0.0000000 -1.2129171 0.0000000 0.8359377 0.0000000 -1.7132343 12 N -1.1886791 0.0000000 0.0000000 0.0000000 -2.7182409 1.0842874 0.0000000 0.8752980 -1.5723026 13 N -1.1886791 0.0000000 0.0000000 0.0000000 -2.7182409 -1.0842874 0.0000000 -0.8752980 -1.5723026 14 N -1.1886791 0.0000000 0.0000000 0.0000000 -2.7182409 1.0842874 0.0000000 0.8752980 -1.5723026 15 N -2.5719657 0.0000000 -1.0396939 0.0000000 -1.2129171 0.0000000 -0.8359377 0.0000000 -1.7132343 16 N -2.5719657 0.0000000 -1.0396939 0.0000000 -1.2129171 0.0000000 -0.8359377 0.0000000 -1.7132343 17 N -2.5719657 0.0000000 1.0396939 0.0000000 -1.2129171 0.0000000 0.8359377 0.0000000 -1.7132343 18 N -1.1886791 0.0000000 0.0000000 0.0000000 -2.7182409 -1.0842874 0.0000000 -0.8752980 -1.5723026 19 Re 2.6244840 0.0000000 0.0000000 0.0000000 2.6126615 0.0000000 0.0000000 0.0000000 1.9230785 20 Re 2.6244840 0.0000000 0.0000000 0.0000000 2.6126615 0.0000000 0.0000000 0.0000000 1.9230785 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000030 (zzz) 0.00000030 (zzz) 0.00000030 (zzz) 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 ... [ 8 7 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.69, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 7.678 ( 0.000 0.000 0.000) 0.000 7.733 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 10.375 ( 0.000 0.000 0.000) 0.000 10.756 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 11.287 ( 0.000 0.000 0.000) 0.000 11.291 ( 0.000 0.000 0.000) 0.000 11.533 ( 0.000 0.000 0.000) 0.000 11.973 ( 0.000 0.000 0.000) 0.000 12.748 ( 0.000 0.000 0.000) 0.000 13.203 ( 0.000 0.000 0.000) 0.000 13.271 ( 0.000 0.000 0.000) 0.000 13.279 ( 0.000 0.000 0.000) 0.000 13.306 ( 0.000 0.000 0.000) 0.000 13.359 ( 0.000 0.000 0.000) 0.000 13.393 ( 0.000 0.000 0.000) 0.000 13.499 ( 0.000 0.000 0.000) 0.000 13.616 ( 0.000 0.000 0.000) 0.000 13.717 ( 0.000 0.000 0.000) 0.000 14.195 ( 0.000 0.000 0.000) 0.000 14.256 ( 0.000 0.000 0.000) 0.000 14.304 ( 0.000 0.000 0.000) 0.000 14.651 ( 0.000 0.000 0.000) 0.000 14.960 ( 0.000 0.000 0.000) 0.000 15.342 ( 0.000 0.000 0.000) 0.000 15.358 ( 0.000 0.000 0.000) 0.000 15.731 ( 0.000 0.000 0.000) 0.000 15.853 ( 0.000 0.000 0.000) 0.000 16.181 ( 0.000 0.000 0.000) 0.000 16.284 ( 0.000 0.000 0.000) 0.000 16.308 ( 0.000 0.000 0.000) 0.000 16.418 ( 0.000 0.000 0.000) 0.000 24.399 ( 0.000 0.000 0.000) 0.000 24.547 ( 0.000 0.000 0.000) 0.000 24.859 ( 0.000 0.000 0.000) 0.000 24.899 ( 0.000 0.000 0.000) 0.000 24.943 ( 0.000 0.000 0.000) 0.000 25.800 ( 0.000 0.000 0.000) 0.000 28.279 ( 0.000 0.000 0.000) 0.000 28.448 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 28.484 0.000 0.000) 28.484 0.636 ( 33.156 0.000 0.000) 33.156 1.053 ( 54.129 0.000 0.000) 54.129 3.304 ( -7.689 0.000 0.000) 7.689 3.600 ( -9.486 0.000 0.000) 9.486 4.050 ( 2.145 0.000 0.000) 2.145 5.880 ( 10.237 0.000 0.000) 10.237 6.504 ( 2.977 0.000 0.000) 2.977 7.491 ( 0.176 0.000 0.000) 0.176 7.581 ( -10.587 0.000 0.000) 10.587 7.676 ( -5.644 0.000 0.000) 5.644 7.861 ( -4.807 0.000 0.000) 4.807 7.886 ( 0.223 0.000 0.000) 0.223 8.200 ( -11.656 0.000 0.000) 11.656 8.505 ( 0.191 0.000 0.000) 0.191 8.523 ( 17.049 0.000 0.000) 17.049 8.546 ( 4.652 0.000 0.000) 4.652 8.728 ( 5.496 0.000 0.000) 5.496 9.298 ( -15.012 0.000 0.000) 15.012 9.767 ( -2.920 0.000 0.000) 2.920 9.910 ( 16.137 0.000 0.000) 16.137 9.985 ( 5.528 0.000 0.000) 5.528 10.388 ( 1.491 0.000 0.000) 1.491 10.754 ( -0.909 0.000 0.000) 0.909 10.976 ( -2.104 0.000 0.000) 2.104 11.239 ( -4.224 0.000 0.000) 4.224 11.358 ( 6.888 0.000 0.000) 6.888 11.634 ( 9.350 0.000 0.000) 9.350 12.012 ( 4.148 0.000 0.000) 4.148 12.689 ( -5.791 0.000 0.000) 5.791 13.031 ( -11.154 0.000 0.000) 11.154 13.248 ( -3.184 0.000 0.000) 3.184 13.255 ( -3.064 0.000 0.000) 3.064 13.411 ( 1.258 0.000 0.000) 1.258 13.411 ( 7.168 0.000 0.000) 7.168 13.441 ( 5.704 0.000 0.000) 5.704 13.468 ( -3.421 0.000 0.000) 3.421 13.566 ( -10.578 0.000 0.000) 10.578 13.603 ( -1.382 0.000 0.000) 1.382 14.255 ( -0.050 0.000 0.000) 0.050 14.475 ( 14.190 0.000 0.000) 14.190 14.538 ( -10.864 0.000 0.000) 10.864 14.831 ( -10.941 0.000 0.000) 10.941 15.274 ( 1.746 0.000 0.000) 1.746 15.366 ( 1.712 0.000 0.000) 1.712 15.439 ( 5.678 0.000 0.000) 5.678 15.875 ( 2.319 0.000 0.000) 2.319 16.181 ( 0.085 0.000 0.000) 0.085 16.273 ( -0.910 0.000 0.000) 0.910 16.294 ( -1.460 0.000 0.000) 1.460 16.472 ( 5.623 0.000 0.000) 5.623 17.411 ( -1.741 0.000 0.000) 1.741 24.556 ( 0.929 0.000 0.000) 0.929 24.844 ( -1.567 0.000 0.000) 1.567 24.874 ( -2.558 0.000 0.000) 2.558 24.892 ( -4.762 0.000 0.000) 4.762 25.874 ( 7.103 0.000 0.000) 7.103 26.636 ( -1.371 0.000 0.000) 1.371 28.287 ( 0.897 0.000 0.000) 0.897 28.443 ( -0.497 0.000 0.000) 0.497 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 31.342 0.000 0.000) 31.342 1.252 ( 31.568 0.000 0.000) 31.568 2.027 ( 47.545 0.000 0.000) 47.545 3.093 ( -14.331 0.000 0.000) 14.331 3.338 ( -17.643 0.000 0.000) 17.643 4.063 ( -1.987 0.000 0.000) 1.987 6.142 ( 16.459 0.000 0.000) 16.459 6.587 ( 5.643 0.000 0.000) 5.643 7.422 ( -5.289 0.000 0.000) 5.289 7.478 ( -2.596 0.000 0.000) 2.596 7.532 ( -9.278 0.000 0.000) 9.278 7.749 ( -5.585 0.000 0.000) 5.585 7.877 ( -1.356 0.000 0.000) 1.356 7.952 ( -13.752 0.000 0.000) 13.752 8.524 ( 1.982 0.000 0.000) 1.982 8.609 ( 4.320 0.000 0.000) 4.320 8.812 ( 2.886 0.000 0.000) 2.886 8.915 ( 20.357 0.000 0.000) 20.357 9.031 ( -12.810 0.000 0.000) 12.810 9.700 ( -3.928 0.000 0.000) 3.928 10.124 ( 8.851 0.000 0.000) 8.851 10.217 ( 16.014 0.000 0.000) 16.014 10.434 ( 3.404 0.000 0.000) 3.404 10.719 ( -2.922 0.000 0.000) 2.922 10.908 ( -5.071 0.000 0.000) 5.071 11.139 ( -6.352 0.000 0.000) 6.352 11.538 ( 11.632 0.000 0.000) 11.632 11.848 ( 12.200 0.000 0.000) 12.200 12.127 ( 7.471 0.000 0.000) 7.471 12.552 ( -7.981 0.000 0.000) 7.981 12.834 ( -8.436 0.000 0.000) 8.436 13.099 ( -11.842 0.000 0.000) 11.842 13.191 ( -4.063 0.000 0.000) 4.063 13.365 ( -7.492 0.000 0.000) 7.492 13.386 ( -1.397 0.000 0.000) 1.397 13.518 ( 3.983 0.000 0.000) 3.983 13.523 ( 4.534 0.000 0.000) 4.534 13.542 ( 4.559 0.000 0.000) 4.559 13.565 ( -2.534 0.000 0.000) 2.534 14.257 ( 0.299 0.000 0.000) 0.299 14.284 ( -14.825 0.000 0.000) 14.825 14.610 ( -11.391 0.000 0.000) 11.391 14.756 ( 14.488 0.000 0.000) 14.488 15.319 ( 2.933 0.000 0.000) 2.933 15.378 ( -0.941 0.000 0.000) 0.941 15.510 ( 1.411 0.000 0.000) 1.411 15.938 ( 4.110 0.000 0.000) 4.110 16.185 ( 0.395 0.000 0.000) 0.395 16.254 ( -2.762 0.000 0.000) 2.762 16.255 ( -0.895 0.000 0.000) 0.895 16.627 ( 10.437 0.000 0.000) 10.437 17.355 ( -4.235 0.000 0.000) 4.235 24.582 ( 1.837 0.000 0.000) 1.837 24.792 ( -5.032 0.000 0.000) 5.032 24.802 ( -2.740 0.000 0.000) 2.740 24.810 ( -3.831 0.000 0.000) 3.831 26.040 ( 9.766 0.000 0.000) 9.766 26.594 ( -3.143 0.000 0.000) 3.143 28.311 ( 1.537 0.000 0.000) 1.537 28.429 ( -0.972 0.000 0.000) 0.972 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 32.395 0.000 0.000) 32.395 1.827 ( 28.795 0.000 0.000) 28.795 2.704 ( 4.464 0.000 0.000) 4.464 2.766 ( -19.999 0.000 0.000) 19.999 3.072 ( 8.660 0.000 0.000) 8.660 3.931 ( -12.813 0.000 0.000) 12.813 6.468 ( 16.815 0.000 0.000) 16.815 6.704 ( 5.633 0.000 0.000) 5.633 7.340 ( -9.987 0.000 0.000) 9.987 7.360 ( -8.809 0.000 0.000) 8.809 7.393 ( 2.178 0.000 0.000) 2.178 7.699 ( -12.416 0.000 0.000) 12.416 7.709 ( 1.327 0.000 0.000) 1.327 7.833 ( -3.179 0.000 0.000) 3.179 8.580 ( 3.911 0.000 0.000) 3.911 8.699 ( 4.853 0.000 0.000) 4.853 8.820 ( -9.366 0.000 0.000) 9.366 8.830 ( -0.892 0.000 0.000) 0.892 9.262 ( 15.539 0.000 0.000) 15.539 9.618 ( -4.886 0.000 0.000) 4.886 10.308 ( 10.112 0.000 0.000) 10.112 10.513 ( 15.009 0.000 0.000) 15.009 10.519 ( 5.577 0.000 0.000) 5.577 10.636 ( -5.945 0.000 0.000) 5.945 10.787 ( -7.396 0.000 0.000) 7.396 10.990 ( -9.485 0.000 0.000) 9.485 11.780 ( 13.146 0.000 0.000) 13.146 12.039 ( 5.671 0.000 0.000) 5.671 12.254 ( 4.670 0.000 0.000) 4.670 12.409 ( -6.594 0.000 0.000) 6.594 12.766 ( 2.544 0.000 0.000) 2.544 12.910 ( -5.118 0.000 0.000) 5.118 13.083 ( -7.639 0.000 0.000) 7.639 13.182 ( -11.503 0.000 0.000) 11.503 13.397 ( 1.945 0.000 0.000) 1.945 13.510 ( -3.239 0.000 0.000) 3.239 13.586 ( 2.285 0.000 0.000) 2.285 13.603 ( 1.756 0.000 0.000) 1.756 13.627 ( 7.080 0.000 0.000) 7.080 14.009 ( -13.417 0.000 0.000) 13.417 14.271 ( 1.299 0.000 0.000) 1.299 14.423 ( -7.914 0.000 0.000) 7.914 15.008 ( 11.820 0.000 0.000) 11.820 15.324 ( -4.676 0.000 0.000) 4.676 15.381 ( 3.428 0.000 0.000) 3.428 15.499 ( -2.092 0.000 0.000) 2.092 16.023 ( 4.728 0.000 0.000) 4.728 16.191 ( -3.796 0.000 0.000) 3.796 16.197 ( 0.840 0.000 0.000) 0.840 16.237 ( -1.053 0.000 0.000) 1.053 16.849 ( 12.245 0.000 0.000) 12.245 17.245 ( -7.508 0.000 0.000) 7.508 24.625 ( 2.648 0.000 0.000) 2.648 24.718 ( -2.503 0.000 0.000) 2.503 24.741 ( -3.158 0.000 0.000) 3.158 24.744 ( -3.286 0.000 0.000) 3.286 26.226 ( 9.443 0.000 0.000) 9.443 26.514 ( -5.360 0.000 0.000) 5.360 28.343 ( 1.793 0.000 0.000) 1.793 28.407 ( -1.396 0.000 0.000) 1.396 ======================= Grid point 4 (5/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -29.863 0.000 0.000) 29.863 2.297 ( 29.863 0.000 0.000) 29.863 2.338 ( -24.870 0.000 0.000) 24.870 2.338 ( 24.870 0.000 0.000) 24.870 3.563 ( -25.725 0.000 0.000) 25.725 3.563 ( 25.725 0.000 0.000) 25.725 6.717 ( -6.897 0.000 0.000) 6.897 6.717 ( 6.897 0.000 0.000) 6.897 7.234 ( -1.469 0.000 0.000) 1.469 7.234 ( 1.469 0.000 0.000) 1.469 7.497 ( -8.449 0.000 0.000) 8.449 7.497 ( 8.449 0.000 0.000) 8.449 7.764 ( -3.754 0.000 0.000) 3.754 7.764 ( 3.754 0.000 0.000) 3.754 8.674 ( -6.136 0.000 0.000) 6.136 8.674 ( 6.136 0.000 0.000) 6.136 8.784 ( -3.778 0.000 0.000) 3.778 8.784 ( 3.778 0.000 0.000) 3.778 9.494 ( -8.914 0.000 0.000) 8.914 9.494 ( 8.914 0.000 0.000) 8.914 10.493 ( -8.982 0.000 0.000) 8.982 10.493 ( 8.982 0.000 0.000) 8.982 10.643 ( -7.327 0.000 0.000) 7.327 10.643 ( 7.327 0.000 0.000) 7.327 10.778 ( -12.745 0.000 0.000) 12.745 10.778 ( 12.745 0.000 0.000) 12.745 12.002 ( -8.770 0.000 0.000) 8.770 12.002 ( 8.770 0.000 0.000) 8.770 12.315 ( -3.254 0.000 0.000) 3.254 12.315 ( 3.254 0.000 0.000) 3.254 12.907 ( -10.077 0.000 0.000) 10.077 12.907 ( 10.077 0.000 0.000) 10.077 12.964 ( -9.585 0.000 0.000) 9.585 12.964 ( 9.585 0.000 0.000) 9.585 13.447 ( -3.156 0.000 0.000) 3.156 13.447 ( 3.156 0.000 0.000) 3.156 13.613 ( -0.547 0.000 0.000) 0.547 13.613 ( 0.547 0.000 0.000) 0.547 13.787 ( -9.961 0.000 0.000) 9.961 13.787 ( 9.961 0.000 0.000) 9.961 14.315 ( -3.661 0.000 0.000) 3.661 14.315 ( 3.661 0.000 0.000) 3.661 15.200 ( -8.360 0.000 0.000) 8.360 15.200 ( 8.360 0.000 0.000) 8.360 15.446 ( -3.307 0.000 0.000) 3.307 15.446 ( 3.307 0.000 0.000) 3.307 16.112 ( -4.494 0.000 0.000) 4.494 16.112 ( 4.494 0.000 0.000) 4.494 16.216 ( -1.112 0.000 0.000) 1.112 16.216 ( 1.112 0.000 0.000) 1.112 17.071 ( -10.698 0.000 0.000) 10.698 17.071 ( 10.698 0.000 0.000) 10.698 24.681 ( -3.201 0.000 0.000) 3.201 24.681 ( 3.201 0.000 0.000) 3.201 24.702 ( -0.732 0.000 0.000) 0.732 24.702 ( 0.732 0.000 0.000) 0.732 26.390 ( -7.670 0.000 0.000) 7.670 26.390 ( 7.670 0.000 0.000) 7.670 28.377 ( -1.706 0.000 0.000) 1.706 28.377 ( 1.706 0.000 0.000) 1.706 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 33.215 0.000) 33.215 0.799 ( 0.000 36.906 0.000) 36.906 1.176 ( 0.000 52.934 0.000) 52.934 3.444 ( 0.000 5.242 0.000) 5.242 3.599 ( 0.000 -8.584 0.000) 8.584 3.832 ( 0.000 -16.663 0.000) 16.663 5.812 ( 0.000 2.294 0.000) 2.294 6.833 ( 0.000 5.116 0.000) 5.116 7.374 ( 0.000 -31.387 0.000) 31.387 7.527 ( 0.000 3.311 0.000) 3.311 7.693 ( 0.000 1.346 0.000) 1.346 7.791 ( 0.000 0.992 0.000) 0.992 7.904 ( 0.000 -0.151 0.000) 0.151 8.331 ( 0.000 -12.101 0.000) 12.101 8.353 ( 0.000 5.023 0.000) 5.023 8.372 ( 0.000 3.679 0.000) 3.679 8.733 ( 0.000 3.984 0.000) 3.984 8.838 ( 0.000 23.965 0.000) 23.965 9.572 ( 0.000 -4.582 0.000) 4.582 9.615 ( 0.000 -2.309 0.000) 2.309 9.786 ( 0.000 -2.587 0.000) 2.587 9.934 ( 0.000 0.434 0.000) 0.434 10.276 ( 0.000 -7.036 0.000) 7.036 10.778 ( 0.000 2.740 0.000) 2.740 10.928 ( 0.000 -6.112 0.000) 6.112 11.328 ( 0.000 3.288 0.000) 3.288 11.359 ( 0.000 5.982 0.000) 5.982 11.587 ( 0.000 4.690 0.000) 4.690 11.983 ( 0.000 0.916 0.000) 0.916 12.738 ( 0.000 -10.391 0.000) 10.391 12.867 ( 0.000 -7.560 0.000) 7.560 13.203 ( 0.000 0.065 0.000) 0.065 13.263 ( 0.000 -1.458 0.000) 1.458 13.304 ( 0.000 -4.265 0.000) 4.265 13.379 ( 0.000 -10.371 0.000) 10.371 13.402 ( 0.000 0.019 0.000) 0.019 13.674 ( 0.000 8.562 0.000) 8.562 13.801 ( 0.000 12.712 0.000) 12.712 14.164 ( 0.000 -2.817 0.000) 2.817 14.360 ( 0.000 4.850 0.000) 4.850 14.381 ( 0.000 9.094 0.000) 9.094 14.631 ( 0.000 5.176 0.000) 5.176 14.989 ( 0.000 3.022 0.000) 3.022 15.243 ( 0.000 -8.665 0.000) 8.665 15.331 ( 0.000 -2.547 0.000) 2.547 15.738 ( 0.000 -0.116 0.000) 0.116 15.865 ( 0.000 1.354 0.000) 1.354 16.181 ( 0.000 0.083 0.000) 0.083 16.263 ( 0.000 -1.890 0.000) 1.890 16.320 ( 0.000 0.881 0.000) 0.881 16.414 ( 0.000 -0.212 0.000) 0.212 16.630 ( 0.000 -0.659 0.000) 0.659 24.424 ( 0.000 2.346 0.000) 2.346 24.830 ( 0.000 -2.365 0.000) 2.365 24.880 ( 0.000 -1.730 0.000) 1.730 24.915 ( 0.000 -2.594 0.000) 2.594 25.868 ( 0.000 5.955 0.000) 5.955 26.814 ( 0.000 -5.135 0.000) 5.135 28.302 ( 0.000 1.989 0.000) 1.989 28.449 ( 0.000 0.034 0.000) 0.034 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 17.967 22.851 0.000) 29.069 0.936 ( 14.048 29.854 0.000) 32.995 1.621 ( 36.562 39.265 0.000) 53.652 3.363 ( -8.296 4.046 0.000) 9.230 3.507 ( -8.957 -7.888 0.000) 11.935 3.888 ( 4.953 -13.647 0.000) 14.518 5.887 ( 7.666 0.257 0.000) 7.670 6.713 ( -6.710 8.853 0.000) 11.108 7.402 ( -0.311 -29.183 0.000) 29.185 7.509 ( -9.416 -1.953 0.000) 9.616 7.512 ( -1.892 1.369 0.000) 2.335 7.797 ( -3.497 5.949 0.000) 6.900 7.859 ( -4.463 0.087 0.000) 4.464 8.181 ( -10.275 -2.137 0.000) 10.494 8.435 ( 2.534 -3.883 0.000) 4.636 8.539 ( 16.462 1.707 0.000) 16.550 8.802 ( 6.117 5.450 0.000) 8.193 8.897 ( 4.691 22.113 0.000) 22.605 9.299 ( -14.500 -0.703 0.000) 14.517 9.748 ( -3.284 -2.954 0.000) 4.417 9.889 ( 15.829 -3.261 0.000) 16.161 9.997 ( 5.794 1.027 0.000) 5.885 10.294 ( 1.892 -6.966 0.000) 7.218 10.768 ( -1.390 1.740 0.000) 2.227 10.894 ( -2.874 -5.973 0.000) 6.629 11.271 ( -4.930 2.551 0.000) 5.551 11.415 ( 5.590 4.700 0.000) 7.303 11.678 ( 8.085 3.754 0.000) 8.914 12.025 ( 4.442 1.207 0.000) 4.603 12.703 ( -5.351 -1.329 0.000) 5.514 12.821 ( -2.064 -17.744 0.000) 17.864 13.008 ( -12.523 -1.871 0.000) 12.662 13.323 ( -1.087 -7.890 0.000) 7.965 13.326 ( 1.159 -3.568 0.000) 3.752 13.447 ( 4.483 1.316 0.000) 4.673 13.453 ( 7.461 -1.272 0.000) 7.568 13.526 ( -13.419 4.531 0.000) 14.163 13.802 ( 1.330 17.827 0.000) 17.877 13.883 ( -15.787 9.835 0.000) 18.600 14.410 ( -0.509 11.177 0.000) 11.189 14.516 ( 13.220 3.599 0.000) 13.701 14.572 ( -8.890 3.091 0.000) 9.412 14.842 ( -12.115 1.285 0.000) 12.183 15.284 ( 3.335 -7.285 0.000) 8.012 15.409 ( -11.410 7.539 0.000) 13.675 15.417 ( 5.718 -1.904 0.000) 6.026 15.877 ( 1.749 0.887 0.000) 1.961 16.182 ( -0.028 0.107 0.000) 0.110 16.253 ( -0.819 -1.781 0.000) 1.960 16.305 ( -1.627 0.700 0.000) 1.771 16.474 ( 6.276 0.447 0.000) 6.292 17.075 ( 19.249 -16.390 0.000) 25.281 24.460 ( 2.587 -2.118 0.000) 3.344 24.801 ( -3.080 -3.195 0.000) 4.438 24.863 ( -1.961 -1.479 0.000) 2.456 24.881 ( -2.963 -1.474 0.000) 3.310 25.935 ( 6.564 5.441 0.000) 8.526 26.730 ( -5.627 0.771 0.000) 5.680 28.308 ( 0.701 1.834 0.000) 1.964 28.444 ( -0.461 0.064 0.000) 0.466 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 23.999 18.373 0.000) 30.225 1.310 ( 28.173 8.130 0.000) 29.322 2.357 ( 38.149 26.245 0.000) 46.305 3.139 ( -15.055 2.591 0.000) 15.276 3.274 ( -15.014 -5.512 0.000) 15.994 3.969 ( 2.118 -7.526 0.000) 7.818 6.088 ( 13.005 -4.657 0.000) 13.814 6.652 ( -0.156 2.805 0.000) 2.809 7.267 ( -9.024 -12.655 0.000) 15.543 7.432 ( -7.153 -4.671 0.000) 8.542 7.482 ( 1.716 -16.401 0.000) 16.490 7.706 ( -4.646 7.796 0.000) 9.076 7.761 ( -4.814 1.650 0.000) 5.089 7.982 ( -10.313 3.247 0.000) 10.812 8.478 ( 2.371 -3.779 0.000) 4.461 8.842 ( 10.677 1.041 0.000) 10.728 8.926 ( 6.298 9.468 0.000) 11.371 8.982 ( 0.609 11.901 0.000) 11.916 9.094 ( -0.372 9.776 0.000) 9.783 9.679 ( -3.676 -2.654 0.000) 4.534 10.135 ( 8.365 1.064 0.000) 8.433 10.199 ( 16.600 -2.346 0.000) 16.765 10.350 ( 4.082 -6.499 0.000) 7.674 10.717 ( -3.978 -0.868 0.000) 4.072 10.826 ( -4.497 -5.099 0.000) 6.799 11.160 ( -6.822 1.447 0.000) 6.974 11.559 ( 9.263 1.466 0.000) 9.378 11.851 ( 9.207 0.107 0.000) 9.208 12.146 ( 7.611 1.627 0.000) 7.783 12.543 ( -9.774 -0.519 0.000) 9.788 12.780 ( -10.362 -4.012 0.000) 11.112 12.824 ( 1.477 -18.080 0.000) 18.140 13.238 ( -14.628 5.162 0.000) 15.512 13.270 ( -4.190 -7.015 0.000) 8.171 13.347 ( 0.991 -3.178 0.000) 3.329 13.553 ( 5.372 2.279 0.000) 5.836 13.581 ( 5.378 2.148 0.000) 5.791 13.668 ( -8.030 6.854 0.000) 10.558 13.843 ( 2.597 19.381 0.000) 19.554 14.331 ( -14.352 3.887 0.000) 14.869 14.377 ( -2.421 10.503 0.000) 10.779 14.599 ( -12.281 -0.726 0.000) 12.303 14.783 ( 13.731 2.295 0.000) 13.922 15.315 ( 0.264 -2.400 0.000) 2.414 15.350 ( 1.122 -1.087 0.000) 1.562 15.485 ( 1.229 -2.192 0.000) 2.513 15.929 ( 3.668 -0.161 0.000) 3.672 16.182 ( 0.139 -0.244 0.000) 0.281 16.238 ( -0.827 -1.652 0.000) 1.848 16.259 ( -3.105 0.272 0.000) 3.117 16.642 ( 10.947 1.560 0.000) 11.057 17.252 ( 2.217 -7.825 0.000) 8.132 24.507 ( 2.369 -4.183 0.000) 4.808 24.723 ( -4.522 -4.003 0.000) 6.039 24.809 ( -3.365 -0.800 0.000) 3.459 24.821 ( -3.186 -0.366 0.000) 3.207 26.091 ( 9.238 4.509 0.000) 10.280 26.638 ( -4.443 1.960 0.000) 4.856 28.327 ( 1.290 1.452 0.000) 1.942 28.431 ( -0.893 0.162 0.000) 0.907 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 28.198 10.036 0.000) 29.931 1.852 ( 28.117 2.775 0.000) 28.253 2.779 ( -11.891 4.695 0.000) 12.785 2.798 ( -20.630 1.643 0.000) 20.695 3.172 ( 21.641 10.389 0.000) 24.005 3.920 ( -8.242 -0.327 0.000) 8.249 6.360 ( 14.873 -9.469 0.000) 17.632 6.677 ( 1.448 -4.069 0.000) 4.319 7.107 ( -7.272 -14.770 0.000) 16.463 7.248 ( -11.056 -9.165 0.000) 14.361 7.525 ( 3.411 -3.360 0.000) 4.788 7.656 ( -0.534 2.333 0.000) 2.393 7.697 ( -2.119 0.959 0.000) 2.326 7.793 ( -9.552 6.831 0.000) 11.743 8.536 ( 4.005 -2.684 0.000) 4.821 8.788 ( -8.861 -0.738 0.000) 8.891 9.011 ( 3.270 16.594 0.000) 16.913 9.022 ( 3.410 14.278 0.000) 14.680 9.304 ( 13.289 5.819 0.000) 14.508 9.609 ( -4.051 -1.129 0.000) 4.206 10.303 ( 9.046 -0.606 0.000) 9.067 10.450 ( 6.364 -5.035 0.000) 8.115 10.507 ( 15.066 -0.966 0.000) 15.097 10.619 ( -5.974 -2.673 0.000) 6.544 10.720 ( -6.490 -3.835 0.000) 7.539 11.005 ( -9.655 0.860 0.000) 9.693 11.753 ( 10.635 -2.683 0.000) 10.968 11.981 ( 2.982 -5.439 0.000) 6.202 12.264 ( 3.256 0.492 0.000) 3.293 12.374 ( -7.232 -2.547 0.000) 7.667 12.674 ( 0.837 -5.714 0.000) 5.774 12.868 ( 2.948 -11.666 0.000) 12.032 12.993 ( -10.106 4.303 0.000) 10.984 13.162 ( -7.229 -3.069 0.000) 7.853 13.381 ( 2.621 -1.614 0.000) 3.078 13.542 ( -5.698 2.635 0.000) 6.278 13.632 ( 2.693 2.641 0.000) 3.772 13.650 ( 1.790 3.853 0.000) 4.248 13.892 ( 2.574 18.865 0.000) 19.040 14.086 ( -10.319 6.046 0.000) 11.960 14.332 ( -1.983 6.597 0.000) 6.888 14.402 ( -7.681 -1.733 0.000) 7.874 15.023 ( 11.194 1.197 0.000) 11.258 15.302 ( -2.889 -2.159 0.000) 3.607 15.376 ( 2.174 -0.645 0.000) 2.267 15.474 ( -1.928 -2.220 0.000) 2.940 16.011 ( 4.764 -0.784 0.000) 4.828 16.189 ( 0.553 -0.759 0.000) 0.939 16.189 ( -4.178 -0.249 0.000) 4.186 16.221 ( -0.945 -1.509 0.000) 1.780 16.866 ( 11.996 1.690 0.000) 12.115 17.218 ( -5.057 -2.258 0.000) 5.538 24.552 ( 2.428 -4.682 0.000) 5.274 24.647 ( -3.247 -4.298 0.000) 5.387 24.750 ( -2.437 -0.223 0.000) 2.447 24.764 ( -2.701 -0.101 0.000) 2.703 26.268 ( 9.006 3.614 0.000) 9.704 26.546 ( -5.477 2.202 0.000) 5.903 28.355 ( 1.546 1.023 0.000) 1.854 28.411 ( -1.259 0.348 0.000) 1.306 ======================= Grid point 13 (10/120) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -9.864 1.980 0.000) 10.061 2.329 ( 9.864 1.980 0.000) 10.061 2.377 ( -7.815 3.889 0.000) 8.729 2.377 ( 7.815 3.889 0.000) 8.729 3.641 ( -21.046 7.102 0.000) 22.212 3.641 ( 21.046 7.102 0.000) 22.212 6.612 ( -9.871 -10.262 0.000) 14.238 6.612 ( 9.871 -10.262 0.000) 14.238 7.074 ( -5.240 -11.532 0.000) 12.667 7.074 ( 5.240 -11.532 0.000) 12.667 7.628 ( -7.389 5.588 0.000) 9.264 7.628 ( 7.389 5.588 0.000) 9.264 7.667 ( -1.250 -0.725 0.000) 1.445 7.667 ( 1.250 -0.725 0.000) 1.445 8.637 ( -6.677 -1.198 0.000) 6.784 8.637 ( 6.677 -1.198 0.000) 6.784 9.049 ( -0.478 17.136 0.000) 17.143 9.049 ( 0.478 17.136 0.000) 17.143 9.505 ( -7.610 1.605 0.000) 7.777 9.505 ( 7.610 1.605 0.000) 7.777 10.470 ( -8.389 -2.796 0.000) 8.843 10.470 ( 8.389 -2.796 0.000) 8.843 10.583 ( -7.297 -3.357 0.000) 8.032 10.583 ( 7.297 -3.357 0.000) 8.032 10.790 ( -12.968 0.235 0.000) 12.970 10.790 ( 12.968 0.235 0.000) 12.970 11.934 ( -7.298 -6.293 0.000) 9.637 11.934 ( 7.298 -6.293 0.000) 9.637 12.290 ( -1.673 -2.478 0.000) 2.989 12.290 ( 1.673 -2.478 0.000) 2.989 12.785 ( -8.519 -5.507 0.000) 10.144 12.785 ( 8.519 -5.507 0.000) 10.144 13.008 ( -7.929 0.389 0.000) 7.939 13.008 ( 7.929 0.389 0.000) 7.939 13.447 ( -4.261 -0.056 0.000) 4.261 13.447 ( 4.261 -0.056 0.000) 4.261 13.659 ( -0.465 3.366 0.000) 3.398 13.659 ( 0.465 3.366 0.000) 3.398 13.952 ( -4.308 12.954 0.000) 13.652 13.952 ( 4.308 12.954 0.000) 13.652 14.320 ( -1.269 1.217 0.000) 1.758 14.320 ( 1.269 1.217 0.000) 1.758 15.201 ( -7.488 -0.096 0.000) 7.489 15.201 ( 7.488 -0.096 0.000) 7.489 15.427 ( -2.841 -1.712 0.000) 3.317 15.427 ( 2.841 -1.712 0.000) 3.317 16.103 ( -4.804 -0.695 0.000) 4.854 16.103 ( 4.804 -0.695 0.000) 4.854 16.203 ( -0.901 -1.222 0.000) 1.518 16.203 ( 0.901 -1.222 0.000) 1.518 17.076 ( -9.622 0.495 0.000) 9.634 17.076 ( 9.622 0.495 0.000) 9.634 24.597 ( -2.289 -4.726 0.000) 5.251 24.597 ( 2.289 -4.726 0.000) 5.251 24.730 ( -0.491 0.094 0.000) 0.500 24.730 ( 0.491 0.094 0.000) 0.500 26.425 ( -7.381 2.808 0.000) 7.897 26.425 ( 7.381 2.808 0.000) 7.897 28.384 ( -1.505 0.638 0.000) 1.635 28.384 ( 1.505 0.638 0.000) 1.635 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.000 32.787 0.000) 32.787 1.570 ( 0.000 34.804 0.000) 34.804 2.223 ( 0.000 43.754 0.000) 43.754 3.324 ( 0.000 -17.044 0.000) 17.044 3.368 ( 0.000 -25.533 0.000) 25.533 3.537 ( 0.000 1.658 0.000) 1.658 5.856 ( 0.000 2.206 0.000) 2.206 6.726 ( 0.000 -27.711 0.000) 27.711 6.992 ( 0.000 9.601 0.000) 9.601 7.597 ( 0.000 1.534 0.000) 1.534 7.735 ( 0.000 2.486 0.000) 2.486 7.830 ( 0.000 2.487 0.000) 2.487 7.898 ( 0.000 -0.818 0.000) 0.818 8.062 ( 0.000 -11.410 0.000) 11.410 8.505 ( 0.000 9.024 0.000) 9.024 8.513 ( 0.000 9.884 0.000) 9.884 8.802 ( 0.000 2.859 0.000) 2.859 9.196 ( 0.000 5.435 0.000) 5.435 9.432 ( 0.000 -8.202 0.000) 8.202 9.592 ( 0.000 3.285 0.000) 3.285 9.603 ( 0.000 -14.414 0.000) 14.414 9.933 ( 0.000 -0.880 0.000) 0.880 10.206 ( 0.000 1.756 0.000) 1.756 10.745 ( 0.000 -10.388 0.000) 10.388 10.900 ( 0.000 8.845 0.000) 8.845 11.391 ( 0.000 1.466 0.000) 1.466 11.522 ( 0.000 8.679 0.000) 8.679 11.715 ( 0.000 6.848 0.000) 6.848 12.003 ( 0.000 0.434 0.000) 0.434 12.327 ( 0.000 -19.794 0.000) 19.794 12.946 ( 0.000 6.581 0.000) 6.581 13.151 ( 0.000 -7.970 0.000) 7.970 13.192 ( 0.000 -5.795 0.000) 5.795 13.221 ( 0.000 -2.328 0.000) 2.328 13.228 ( 0.000 0.754 0.000) 0.754 13.384 ( 0.000 -1.686 0.000) 1.686 13.766 ( 0.000 3.609 0.000) 3.609 14.080 ( 0.000 -4.768 0.000) 4.768 14.130 ( 0.000 14.430 0.000) 14.430 14.488 ( 0.000 6.408 0.000) 6.408 14.557 ( 0.000 6.378 0.000) 6.378 14.783 ( 0.000 8.387 0.000) 8.387 15.002 ( 0.000 -13.178 0.000) 13.178 15.105 ( 0.000 8.003 0.000) 8.003 15.251 ( 0.000 -4.869 0.000) 4.869 15.690 ( 0.000 -4.727 0.000) 4.727 15.921 ( 0.000 3.811 0.000) 3.811 16.191 ( 0.000 1.011 0.000) 1.011 16.205 ( 0.000 -3.481 0.000) 3.481 16.324 ( 0.000 -0.981 0.000) 0.981 16.427 ( 0.000 1.889 0.000) 1.889 16.605 ( 0.000 -1.735 0.000) 1.735 24.497 ( 0.000 4.304 0.000) 4.304 24.779 ( 0.000 -1.942 0.000) 1.942 24.832 ( 0.000 -2.546 0.000) 2.546 24.836 ( 0.000 -4.613 0.000) 4.613 26.034 ( 0.000 9.116 0.000) 9.116 26.664 ( 0.000 -8.517 0.000) 8.517 28.353 ( 0.000 2.578 0.000) 2.578 28.447 ( 0.000 -0.246 0.000) 0.246 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 4.728 30.798 0.000) 31.159 1.613 ( 5.143 31.940 0.000) 32.352 2.472 ( 23.114 37.634 0.000) 44.166 3.260 ( -6.372 -15.346 0.000) 16.616 3.293 ( -7.807 -16.617 0.000) 18.359 3.635 ( 9.281 -4.666 0.000) 10.388 5.888 ( 3.290 0.470 0.000) 3.324 6.683 ( -4.471 -21.175 0.000) 21.642 6.944 ( -4.154 0.381 0.000) 4.171 7.494 ( -9.691 -4.569 0.000) 10.713 7.578 ( -8.606 6.257 0.000) 10.640 7.883 ( -1.760 2.518 0.000) 3.072 7.920 ( 2.053 5.232 0.000) 5.620 8.092 ( 1.954 -5.863 0.000) 6.180 8.438 ( -4.824 4.971 0.000) 6.927 8.607 ( 10.501 4.915 0.000) 11.594 8.932 ( 10.762 6.494 0.000) 12.570 9.120 ( -7.203 -3.972 0.000) 8.225 9.423 ( 2.349 12.750 0.000) 12.964 9.581 ( -1.735 -12.504 0.000) 12.623 9.772 ( 14.741 -6.322 0.000) 16.039 10.005 ( 6.846 -1.132 0.000) 6.939 10.210 ( 0.494 0.893 0.000) 1.020 10.698 ( -4.322 -9.276 0.000) 10.233 10.893 ( -1.240 7.436 0.000) 7.539 11.319 ( -6.327 1.143 0.000) 6.429 11.541 ( 1.913 6.702 0.000) 6.970 11.773 ( 4.547 4.576 0.000) 6.451 12.054 ( 5.256 1.060 0.000) 5.362 12.359 ( 3.504 -18.345 0.000) 18.676 12.798 ( -12.336 3.517 0.000) 12.827 12.968 ( -14.272 -1.477 0.000) 14.349 13.143 ( -0.756 -7.530 0.000) 7.568 13.224 ( 1.809 -5.367 0.000) 5.664 13.436 ( 9.840 -0.340 0.000) 9.846 13.466 ( 6.954 0.264 0.000) 6.960 13.632 ( -11.886 5.590 0.000) 13.135 13.951 ( -10.669 -1.269 0.000) 10.744 14.156 ( 2.785 14.342 0.000) 14.610 14.614 ( 11.113 5.063 0.000) 12.212 14.615 ( 2.972 6.689 0.000) 7.320 14.663 ( -10.136 4.757 0.000) 11.197 14.898 ( -14.920 3.968 0.000) 15.439 15.088 ( 6.459 -9.571 0.000) 11.546 15.367 ( 5.630 -2.340 0.000) 6.097 15.490 ( -13.203 -0.032 0.000) 13.203 15.926 ( 0.737 3.536 0.000) 3.612 16.190 ( -0.353 0.815 0.000) 0.888 16.198 ( -0.596 -3.325 0.000) 3.378 16.306 ( -1.925 -0.919 0.000) 2.133 16.507 ( 7.918 2.793 0.000) 8.396 16.835 ( 16.701 -7.626 0.000) 18.359 24.480 ( -1.251 3.050 0.000) 3.296 24.731 ( -4.298 -3.072 0.000) 5.283 24.818 ( -1.512 -2.393 0.000) 2.831 24.828 ( -1.239 -3.216 0.000) 3.447 26.089 ( 5.352 8.444 0.000) 9.998 26.653 ( -1.035 -6.593 0.000) 6.674 28.356 ( 0.338 2.428 0.000) 2.451 28.444 ( -0.361 -0.189 0.000) 0.408 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 14.802 21.079 0.000) 25.757 1.786 ( 13.140 24.692 0.000) 27.970 2.966 ( 22.069 25.880 0.000) 34.012 3.081 ( -14.260 -10.483 0.000) 17.699 3.109 ( -4.997 -8.482 0.000) 9.845 3.831 ( 9.647 -3.859 0.000) 10.391 5.979 ( 6.272 -4.208 0.000) 7.553 6.577 ( -5.841 -13.956 0.000) 15.129 6.855 ( -5.140 -11.419 0.000) 12.522 7.268 ( -13.305 -10.222 0.000) 16.778 7.479 ( -1.325 8.454 0.000) 8.557 7.832 ( -3.430 4.143 0.000) 5.379 7.900 ( -2.692 9.162 0.000) 9.549 8.077 ( -4.173 4.297 0.000) 5.990 8.409 ( 2.314 -0.727 0.000) 2.425 8.827 ( 7.748 0.226 0.000) 7.751 8.991 ( -2.678 -5.256 0.000) 5.899 9.139 ( 9.633 7.749 0.000) 12.363 9.511 ( 6.054 19.174 0.000) 20.106 9.566 ( 0.862 -6.402 0.000) 6.459 10.093 ( 18.408 -7.375 0.000) 19.830 10.166 ( 9.292 0.433 0.000) 9.302 10.233 ( 2.472 -2.198 0.000) 3.308 10.603 ( -5.332 -8.031 0.000) 9.640 10.838 ( -4.706 5.240 0.000) 7.043 11.179 ( -8.178 -0.092 0.000) 8.179 11.593 ( 3.559 1.879 0.000) 4.024 11.836 ( 1.369 -2.066 0.000) 2.478 12.184 ( 7.406 1.615 0.000) 7.580 12.464 ( 6.761 -13.281 0.000) 14.903 12.550 ( -12.156 0.433 0.000) 12.164 12.707 ( -11.954 -2.320 0.000) 12.177 13.123 ( -1.430 -5.781 0.000) 5.955 13.252 ( 0.552 -4.603 0.000) 4.636 13.384 ( -11.854 6.831 0.000) 13.682 13.597 ( 6.969 -0.240 0.000) 6.973 13.600 ( 5.972 1.930 0.000) 6.277 13.746 ( -10.238 0.242 0.000) 10.241 14.232 ( 4.950 15.321 0.000) 16.101 14.421 ( -13.474 3.914 0.000) 14.031 14.605 ( -15.282 2.270 0.000) 15.450 14.632 ( -2.027 11.296 0.000) 11.476 14.843 ( 11.998 3.038 0.000) 12.377 15.190 ( 3.584 -7.769 0.000) 8.556 15.343 ( -2.171 -0.782 0.000) 2.308 15.424 ( 0.679 -3.347 0.000) 3.415 15.952 ( 2.086 2.390 0.000) 3.173 16.179 ( -0.684 0.094 0.000) 0.691 16.186 ( -0.622 -3.084 0.000) 3.146 16.254 ( -3.500 -0.951 0.000) 3.627 16.701 ( 11.695 3.940 0.000) 12.341 17.083 ( 8.442 -7.437 0.000) 11.251 24.466 ( -0.068 0.380 0.000) 0.386 24.640 ( -4.773 -3.509 0.000) 5.924 24.775 ( -2.801 -2.031 0.000) 3.460 24.789 ( -2.640 -2.324 0.000) 3.517 26.217 ( 7.684 6.881 0.000) 10.315 26.625 ( -1.996 -3.144 0.000) 3.724 28.366 ( 0.701 1.981 0.000) 2.101 28.434 ( -0.671 -0.009 0.000) 0.671 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 20.154 9.303 0.000) 22.198 2.096 ( 18.761 15.630 0.000) 24.419 2.765 ( -18.588 -5.681 0.000) 19.437 2.821 ( -15.831 -1.304 0.000) 15.884 3.494 ( 22.912 17.255 0.000) 28.683 3.941 ( 0.729 2.029 0.000) 2.156 6.126 ( 9.104 -10.368 0.000) 13.798 6.468 ( -6.379 -15.788 0.000) 17.028 6.774 ( -1.909 -11.233 0.000) 11.394 7.017 ( -12.438 -11.475 0.000) 16.923 7.519 ( 4.918 5.731 0.000) 7.551 7.753 ( -5.012 3.378 0.000) 6.044 7.859 ( -1.046 10.796 0.000) 10.847 7.966 ( -6.317 8.469 0.000) 10.565 8.497 ( 6.181 -0.050 0.000) 6.181 8.768 ( -7.384 -0.339 0.000) 7.392 9.112 ( 8.307 -4.602 0.000) 9.497 9.251 ( 1.802 0.987 0.000) 2.055 9.625 ( 4.565 6.903 0.000) 8.276 9.627 ( 5.390 19.044 0.000) 19.792 10.282 ( 4.622 -0.768 0.000) 4.685 10.370 ( 10.039 -2.047 0.000) 10.246 10.447 ( 18.135 -5.176 0.000) 18.860 10.499 ( -5.638 -6.102 0.000) 8.308 10.718 ( -7.598 2.784 0.000) 8.092 11.004 ( -10.559 -1.344 0.000) 10.644 11.671 ( 4.436 -4.296 0.000) 6.175 11.822 ( -2.536 -8.576 0.000) 8.943 12.259 ( -1.087 -0.646 0.000) 1.265 12.327 ( -8.858 -1.543 0.000) 8.992 12.596 ( 1.968 -1.927 0.000) 2.754 12.628 ( 7.552 -9.030 0.000) 11.772 13.086 ( -2.528 -2.416 0.000) 3.496 13.130 ( -9.175 6.910 0.000) 11.486 13.333 ( 3.374 -2.626 0.000) 4.276 13.567 ( -8.469 -1.183 0.000) 8.552 13.685 ( 2.952 1.902 0.000) 3.511 13.696 ( 3.086 0.642 0.000) 3.152 14.207 ( -7.539 4.624 0.000) 8.844 14.313 ( -3.790 17.369 0.000) 17.778 14.364 ( -2.269 0.220 0.000) 2.279 14.561 ( -4.922 13.169 0.000) 14.059 15.048 ( 9.248 0.849 0.000) 9.287 15.223 ( 0.086 -5.414 0.000) 5.414 15.349 ( 1.344 -1.703 0.000) 2.169 15.411 ( -1.547 -3.475 0.000) 3.804 16.008 ( 3.711 0.743 0.000) 3.784 16.168 ( -0.374 -0.997 0.000) 1.065 16.175 ( -0.568 -2.717 0.000) 2.775 16.177 ( -4.475 -0.924 0.000) 4.569 16.921 ( 10.787 3.278 0.000) 11.274 17.158 ( -0.190 -3.233 0.000) 3.239 24.478 ( 1.301 -1.808 0.000) 2.227 24.562 ( -3.356 -3.372 0.000) 4.758 24.725 ( -2.104 -1.787 0.000) 2.760 24.737 ( -2.468 -2.024 0.000) 3.192 26.363 ( 7.324 4.891 0.000) 8.807 26.574 ( -3.562 -0.060 0.000) 3.562 28.382 ( 0.934 1.379 0.000) 1.666 28.419 ( -0.891 0.316 0.000) 0.946 ======================= Grid point 22 (15/120) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -14.600 0.836 0.000) 14.624 2.356 ( 14.600 0.836 0.000) 14.624 2.498 ( -13.145 6.327 0.000) 14.589 2.498 ( 13.145 6.327 0.000) 14.589 3.834 ( -12.115 9.580 0.000) 15.445 3.834 ( 12.115 9.580 0.000) 15.445 6.312 ( -9.776 -15.509 0.000) 18.333 6.312 ( 9.776 -15.509 0.000) 18.333 6.824 ( -7.090 -10.484 0.000) 12.656 6.824 ( 7.090 -10.484 0.000) 12.656 7.638 ( -6.832 3.067 0.000) 7.489 7.638 ( 6.832 3.067 0.000) 7.489 7.874 ( -2.850 10.805 0.000) 11.175 7.874 ( 2.850 10.805 0.000) 11.175 8.627 ( -7.271 0.623 0.000) 7.298 8.627 ( 7.271 0.623 0.000) 7.298 9.227 ( -3.798 -3.593 0.000) 5.228 9.227 ( 3.798 -3.593 0.000) 5.228 9.681 ( -0.267 15.608 0.000) 15.610 9.681 ( 0.267 15.608 0.000) 15.610 10.386 ( -6.033 -3.287 0.000) 6.870 10.386 ( 6.033 -3.287 0.000) 6.870 10.554 ( -9.108 0.102 0.000) 9.109 10.554 ( 9.108 0.102 0.000) 9.109 10.767 ( -14.605 -2.727 0.000) 14.857 10.767 ( 14.605 -2.727 0.000) 14.857 11.755 ( -4.214 -9.248 0.000) 10.163 11.755 ( 4.214 -9.248 0.000) 10.163 12.231 ( -0.926 -2.290 0.000) 2.470 12.231 ( 0.926 -2.290 0.000) 2.470 12.683 ( -3.011 -4.850 0.000) 5.709 12.683 ( 3.011 -4.850 0.000) 5.709 13.041 ( -0.561 3.919 0.000) 3.959 13.041 ( 0.561 3.919 0.000) 3.959 13.426 ( -6.242 -2.361 0.000) 6.674 13.426 ( 6.242 -2.361 0.000) 6.674 13.717 ( -0.482 1.613 0.000) 1.684 13.717 ( 0.482 1.613 0.000) 1.684 14.173 ( -3.951 4.646 0.000) 6.099 14.173 ( 3.951 4.646 0.000) 6.099 14.457 ( -5.815 13.101 0.000) 14.333 14.457 ( 5.815 13.101 0.000) 14.333 15.183 ( -4.660 -2.089 0.000) 5.107 15.183 ( 4.660 -2.089 0.000) 5.107 15.378 ( -1.739 -2.579 0.000) 3.110 15.378 ( 1.739 -2.579 0.000) 3.110 16.089 ( -4.637 -0.475 0.000) 4.661 16.089 ( 4.637 -0.475 0.000) 4.661 16.167 ( -0.202 -2.030 0.000) 2.040 16.167 ( 0.202 -2.030 0.000) 2.040 17.090 ( -6.614 0.719 0.000) 6.653 17.090 ( 6.614 0.719 0.000) 6.653 24.511 ( -2.109 -2.938 0.000) 3.617 24.511 ( 2.109 -2.938 0.000) 3.617 24.707 ( -0.405 -1.822 0.000) 1.866 24.707 ( 0.405 -1.822 0.000) 1.866 26.487 ( -5.588 2.581 0.000) 6.155 26.487 ( 5.588 2.581 0.000) 6.155 28.401 ( -0.990 0.791 0.000) 1.267 28.401 ( 0.990 0.791 0.000) 1.267 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 0.000 31.750 0.000) 31.750 2.275 ( 0.000 30.751 0.000) 30.751 2.772 ( 0.000 -29.663 0.000) 29.663 2.869 ( 0.000 -23.125 0.000) 23.125 3.015 ( 0.000 27.328 0.000) 27.328 3.444 ( 0.000 -11.596 0.000) 11.596 5.951 ( 0.000 7.834 0.000) 7.834 6.227 ( 0.000 -18.281 0.000) 18.281 7.234 ( 0.000 12.611 0.000) 12.611 7.499 ( 0.000 -10.628 0.000) 10.628 7.796 ( 0.000 3.084 0.000) 3.084 7.860 ( 0.000 -2.632 0.000) 2.632 7.884 ( 0.000 2.185 0.000) 2.185 7.920 ( 0.000 -2.131 0.000) 2.131 8.730 ( 0.000 11.058 0.000) 11.058 8.783 ( 0.000 14.355 0.000) 14.355 8.858 ( 0.000 0.926 0.000) 0.926 9.079 ( 0.000 -12.039 0.000) 12.039 9.252 ( 0.000 -6.960 0.000) 6.960 9.282 ( 0.000 -11.805 0.000) 11.805 9.751 ( 0.000 8.106 0.000) 8.106 9.883 ( 0.000 -4.119 0.000) 4.119 10.316 ( 0.000 7.642 0.000) 7.642 10.514 ( 0.000 -10.535 0.000) 10.535 11.136 ( 0.000 12.030 0.000) 12.030 11.347 ( 0.000 -6.248 0.000) 6.248 11.716 ( 0.000 9.505 0.000) 9.505 11.865 ( 0.000 6.673 0.000) 6.673 11.958 ( 0.000 -14.073 0.000) 14.073 11.977 ( 0.000 -3.308 0.000) 3.308 13.040 ( 0.000 -1.556 0.000) 1.556 13.077 ( 0.000 -4.320 0.000) 4.320 13.079 ( 0.000 5.230 0.000) 5.230 13.165 ( 0.000 -3.077 0.000) 3.077 13.271 ( 0.000 2.746 0.000) 2.746 13.334 ( 0.000 -2.879 0.000) 2.879 13.855 ( 0.000 4.803 0.000) 4.803 13.968 ( 0.000 -5.497 0.000) 5.497 14.416 ( 0.000 12.950 0.000) 12.950 14.605 ( 0.000 3.979 0.000) 3.979 14.639 ( 0.000 1.103 0.000) 1.103 14.705 ( 0.000 -14.039 0.000) 14.039 14.964 ( 0.000 8.163 0.000) 8.163 15.125 ( 0.000 -6.793 0.000) 6.793 15.316 ( 0.000 10.925 0.000) 10.925 15.538 ( 0.000 -9.168 0.000) 9.168 16.017 ( 0.000 4.805 0.000) 4.805 16.118 ( 0.000 -4.535 0.000) 4.535 16.227 ( 0.000 2.320 0.000) 2.320 16.282 ( 0.000 -2.587 0.000) 2.587 16.487 ( 0.000 3.286 0.000) 3.286 16.555 ( 0.000 -2.893 0.000) 2.893 24.603 ( 0.000 5.498 0.000) 5.498 24.724 ( 0.000 -5.635 0.000) 5.635 24.758 ( 0.000 0.089 0.000) 0.089 24.781 ( 0.000 -1.935 0.000) 1.935 26.244 ( 0.000 10.202 0.000) 10.202 26.462 ( 0.000 -10.032 0.000) 10.032 28.403 ( 0.000 1.963 0.000) 1.963 28.435 ( 0.000 -0.980 0.000) 0.980 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.303 30.169 0.000) 30.171 2.260 ( -0.350 26.980 0.000) 26.982 2.783 ( -0.498 -26.478 0.000) 26.482 2.853 ( -2.299 -22.162 0.000) 22.281 3.157 ( 14.405 25.172 0.000) 29.003 3.527 ( 8.836 -9.620 0.000) 13.063 5.955 ( 0.443 6.979 0.000) 6.993 6.219 ( -0.939 -17.819 0.000) 17.844 7.089 ( -12.561 9.641 0.000) 15.834 7.317 ( -14.548 -10.699 0.000) 18.059 7.738 ( -3.150 8.152 0.000) 8.739 7.898 ( -1.586 -5.100 0.000) 5.341 8.000 ( 7.899 0.966 0.000) 7.957 8.000 ( 7.791 1.034 0.000) 7.859 8.614 ( -8.420 10.025 0.000) 13.092 8.732 ( 1.236 3.729 0.000) 3.928 8.979 ( -5.608 -4.624 0.000) 7.269 9.034 ( 7.890 -0.758 0.000) 7.926 9.341 ( 7.879 -3.790 0.000) 8.743 9.459 ( 15.937 -8.520 0.000) 18.072 9.800 ( 5.243 7.913 0.000) 9.493 9.942 ( 5.950 -4.758 0.000) 7.618 10.306 ( -0.860 7.001 0.000) 7.054 10.487 ( -2.531 -9.617 0.000) 9.945 11.101 ( -3.782 10.619 0.000) 11.273 11.284 ( -6.155 -5.218 0.000) 8.069 11.692 ( -2.068 7.271 0.000) 7.560 11.822 ( -3.129 -2.329 0.000) 3.900 12.053 ( 7.211 -1.148 0.000) 7.302 12.068 ( 9.345 -6.260 0.000) 11.248 12.872 ( -14.528 3.279 0.000) 14.894 12.937 ( -14.720 -2.349 0.000) 14.906 13.049 ( 0.321 -0.212 0.000) 0.385 13.111 ( 1.183 -4.815 0.000) 4.958 13.440 ( 9.449 0.702 0.000) 9.475 13.459 ( 8.465 -0.795 0.000) 8.503 13.759 ( -8.897 6.005 0.000) 10.734 13.878 ( -8.291 -4.887 0.000) 9.624 14.424 ( 1.307 11.384 0.000) 11.459 14.645 ( -5.992 -7.648 0.000) 9.716 14.703 ( 8.133 2.534 0.000) 8.519 14.709 ( 5.443 1.919 0.000) 5.772 14.978 ( 1.510 0.207 0.000) 1.524 14.979 ( -11.637 2.139 0.000) 11.832 15.350 ( 1.349 1.647 0.000) 2.129 15.431 ( -8.185 -4.565 0.000) 9.372 16.016 ( 0.094 4.601 0.000) 4.602 16.114 ( -0.304 -4.375 0.000) 4.386 16.220 ( -0.962 1.956 0.000) 2.180 16.268 ( -1.603 -2.301 0.000) 2.804 16.590 ( 9.801 4.701 0.000) 10.870 16.700 ( 12.532 -5.548 0.000) 13.706 24.567 ( -3.216 4.641 0.000) 5.647 24.662 ( -4.707 -3.825 0.000) 6.066 24.769 ( -0.310 -1.461 0.000) 1.493 24.773 ( -1.061 -1.503 0.000) 1.840 26.282 ( 3.804 9.413 0.000) 10.152 26.482 ( 1.835 -8.978 0.000) 9.164 28.404 ( 0.028 1.844 0.000) 1.845 28.433 ( -0.201 -0.896 0.000) 0.918 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 3.393 24.563 0.000) 24.796 2.298 ( 4.537 20.817 0.000) 21.305 2.717 ( -6.186 -20.033 0.000) 20.966 2.793 ( -3.603 -17.016 0.000) 17.393 3.492 ( 18.894 18.413 0.000) 26.382 3.750 ( 13.018 -6.274 0.000) 14.451 5.968 ( 0.888 4.281 0.000) 4.372 6.188 ( -2.446 -16.127 0.000) 16.312 6.845 ( -11.713 5.773 0.000) 13.059 7.032 ( -14.449 -10.828 0.000) 18.056 7.690 ( -1.768 9.839 0.000) 9.997 7.851 ( -3.150 -3.886 0.000) 5.002 8.063 ( 0.347 5.217 0.000) 5.228 8.115 ( 1.931 -0.272 0.000) 1.950 8.527 ( -0.049 11.057 0.000) 11.057 8.790 ( 3.142 -11.211 0.000) 11.643 8.905 ( -1.244 5.911 0.000) 6.041 9.101 ( 0.496 -9.838 0.000) 9.851 9.591 ( 16.257 8.707 0.000) 18.442 9.762 ( 13.663 -1.035 0.000) 13.702 9.970 ( 13.859 1.744 0.000) 13.968 10.093 ( 9.475 -5.523 0.000) 10.968 10.296 ( 0.330 5.457 0.000) 5.467 10.434 ( -2.594 -7.345 0.000) 7.789 10.991 ( -7.688 8.071 0.000) 11.147 11.135 ( -9.158 -4.494 0.000) 10.201 11.650 ( -2.291 3.611 0.000) 4.276 11.750 ( -4.494 -5.341 0.000) 6.980 12.211 ( 8.011 1.238 0.000) 8.106 12.267 ( 10.372 -4.981 0.000) 11.506 12.590 ( -13.789 2.996 0.000) 14.111 12.660 ( -12.890 -2.880 0.000) 13.208 13.065 ( 1.373 1.027 0.000) 1.715 13.143 ( 2.265 -5.122 0.000) 5.600 13.519 ( -7.847 5.078 0.000) 9.346 13.582 ( 4.102 -1.239 0.000) 4.285 13.638 ( 2.645 2.066 0.000) 3.356 13.704 ( -8.052 -3.450 0.000) 8.760 14.439 ( -1.702 4.409 0.000) 4.726 14.474 ( -10.915 0.652 0.000) 10.934 14.729 ( -6.992 7.809 0.000) 10.482 14.798 ( 2.728 2.995 0.000) 4.051 14.908 ( 7.545 3.294 0.000) 8.233 15.020 ( 2.862 -7.379 0.000) 7.915 15.322 ( -2.486 -0.293 0.000) 2.504 15.353 ( -0.631 -2.893 0.000) 2.961 16.023 ( 0.657 3.907 0.000) 3.962 16.109 ( -0.183 -3.974 0.000) 3.978 16.191 ( -1.947 1.061 0.000) 2.217 16.222 ( -3.091 -1.706 0.000) 3.530 16.806 ( 11.687 5.644 0.000) 12.979 16.936 ( 10.813 -6.438 0.000) 12.584 24.506 ( -2.712 2.892 0.000) 3.965 24.572 ( -4.368 -3.051 0.000) 5.328 24.738 ( -2.469 -1.067 0.000) 2.690 24.742 ( -2.282 -1.498 0.000) 2.730 26.372 ( 5.182 7.306 0.000) 8.958 26.520 ( 1.857 -6.250 0.000) 6.520 28.405 ( 0.119 1.489 0.000) 1.494 28.428 ( -0.335 -0.637 0.000) 0.720 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 6.265 13.873 0.000) 15.222 2.413 ( 5.955 9.732 0.000) 11.409 2.580 ( -6.731 -7.690 0.000) 10.219 2.716 ( -4.797 -8.474 0.000) 9.738 3.816 ( 14.081 11.372 0.000) 18.100 3.957 ( 7.275 -1.994 0.000) 7.544 5.994 ( 2.066 -0.604 0.000) 2.152 6.126 ( -3.895 -12.674 0.000) 13.259 6.680 ( -5.033 1.265 0.000) 5.189 6.794 ( -10.156 -8.603 0.000) 13.310 7.679 ( 0.699 7.409 0.000) 7.442 7.784 ( -3.818 -1.622 0.000) 4.149 8.052 ( -0.629 6.144 0.000) 6.176 8.095 ( -2.522 2.273 0.000) 3.395 8.588 ( 5.121 9.023 0.000) 10.375 8.771 ( -3.662 -2.467 0.000) 4.416 8.964 ( 5.013 -3.969 0.000) 6.394 9.089 ( -1.512 -10.901 0.000) 11.006 9.869 ( 11.062 11.314 0.000) 15.823 9.939 ( 5.602 7.457 0.000) 9.327 10.273 ( 7.662 -0.759 0.000) 7.699 10.308 ( 18.871 -5.868 0.000) 19.762 10.353 ( 7.642 0.736 0.000) 7.677 10.400 ( -0.435 -3.406 0.000) 3.434 10.813 ( -10.976 5.748 0.000) 12.390 10.937 ( -11.928 -4.957 0.000) 12.917 11.608 ( -1.833 -0.757 0.000) 1.983 11.659 ( -4.635 -5.577 0.000) 7.252 12.260 ( -3.940 1.052 0.000) 4.078 12.297 ( -7.951 -1.761 0.000) 8.144 12.514 ( 6.455 -1.261 0.000) 6.577 12.546 ( 2.070 -2.905 0.000) 3.567 13.101 ( 2.432 3.626 0.000) 4.366 13.193 ( 2.346 -3.159 0.000) 3.934 13.345 ( -7.289 5.792 0.000) 9.310 13.485 ( -8.758 -5.951 0.000) 10.588 13.704 ( 2.827 0.319 0.000) 2.845 13.707 ( 2.695 0.212 0.000) 2.703 14.282 ( -7.945 2.476 0.000) 8.322 14.321 ( -8.337 -1.491 0.000) 8.469 14.694 ( 2.241 14.396 0.000) 14.570 14.803 ( -1.659 6.763 0.000) 6.963 15.043 ( 5.369 -1.556 0.000) 5.590 15.075 ( 2.469 -7.101 0.000) 7.518 15.318 ( 1.015 -0.670 0.000) 1.216 15.340 ( -0.534 -2.677 0.000) 2.730 16.045 ( 1.759 2.585 0.000) 3.127 16.109 ( 0.261 -3.219 0.000) 3.230 16.152 ( -1.946 -0.345 0.000) 1.976 16.157 ( -3.643 -0.720 0.000) 3.713 17.000 ( 8.201 3.941 0.000) 9.099 17.083 ( 4.449 -3.729 0.000) 5.805 24.473 ( -0.784 0.940 0.000) 1.224 24.506 ( -2.550 -2.002 0.000) 3.242 24.691 ( -2.098 -0.963 0.000) 2.308 24.696 ( -2.225 -1.387 0.000) 2.622 26.464 ( 4.229 4.350 0.000) 6.067 26.542 ( 0.256 -2.735 0.000) 2.747 28.408 ( 0.240 0.953 0.000) 0.983 28.421 ( -0.378 -0.208 0.000) 0.431 ======================= Grid point 31 (20/120) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -7.578 0.568 0.000) 7.599 2.372 ( 7.578 0.568 0.000) 7.599 2.605 ( -6.537 2.952 0.000) 7.173 2.605 ( 6.537 2.952 0.000) 7.173 3.992 ( -3.880 4.188 0.000) 5.709 3.992 ( 3.880 4.188 0.000) 5.709 6.050 ( -3.764 -7.070 0.000) 8.009 6.050 ( 3.764 -7.070 0.000) 8.009 6.663 ( -3.202 -3.990 0.000) 5.116 6.663 ( 3.202 -3.990 0.000) 5.116 7.716 ( -3.019 2.674 0.000) 4.033 7.716 ( 3.019 2.674 0.000) 4.033 8.056 ( -1.240 4.896 0.000) 5.051 8.056 ( 1.240 4.896 0.000) 5.051 8.687 ( -4.962 4.770 0.000) 6.883 8.687 ( 4.962 4.770 0.000) 6.883 9.044 ( -3.257 -9.457 0.000) 10.002 9.044 ( 3.257 -9.457 0.000) 10.002 9.981 ( -1.306 8.916 0.000) 9.011 9.981 ( 1.306 8.916 0.000) 9.011 10.362 ( -2.667 0.550 0.000) 2.723 10.362 ( 2.667 0.550 0.000) 2.723 10.575 ( -12.341 2.088 0.000) 12.516 10.575 ( 12.341 2.088 0.000) 12.516 10.671 ( -15.567 -5.530 0.000) 16.520 10.671 ( 15.567 -5.530 0.000) 16.520 11.598 ( -1.305 -4.225 0.000) 4.422 11.598 ( 1.305 -4.225 0.000) 4.422 12.203 ( -0.514 -0.523 0.000) 0.733 12.203 ( 0.514 -0.523 0.000) 0.733 12.592 ( -0.242 -2.690 0.000) 2.701 12.592 ( 0.242 -2.690 0.000) 2.701 13.162 ( -4.070 6.102 0.000) 7.335 13.162 ( 4.070 6.102 0.000) 7.335 13.342 ( -5.637 -4.911 0.000) 7.476 13.342 ( 5.637 -4.911 0.000) 7.476 13.732 ( -0.059 0.121 0.000) 0.134 13.732 ( 0.059 0.121 0.000) 0.134 14.215 ( -1.449 0.670 0.000) 1.596 14.215 ( 1.449 0.670 0.000) 1.596 14.753 ( -3.266 11.239 0.000) 11.704 14.753 ( 3.266 11.239 0.000) 11.704 15.098 ( -0.523 -5.285 0.000) 5.311 15.098 ( 0.523 -5.285 0.000) 5.311 15.333 ( -0.373 -1.201 0.000) 1.257 15.333 ( 0.373 -1.201 0.000) 1.257 16.091 ( -3.072 0.812 0.000) 3.178 16.091 ( 3.072 0.812 0.000) 3.178 16.122 ( -1.142 -1.939 0.000) 2.250 16.122 ( 1.142 -1.939 0.000) 2.250 17.102 ( -2.342 0.348 0.000) 2.368 17.102 ( 2.342 0.348 0.000) 2.368 24.474 ( -0.853 -0.704 0.000) 1.106 24.474 ( 0.853 -0.704 0.000) 1.106 24.671 ( -0.149 -1.148 0.000) 1.158 24.671 ( 0.149 -1.148 0.000) 1.158 26.525 ( -2.074 0.912 0.000) 2.265 26.525 ( 2.074 0.912 0.000) 2.265 28.414 ( -0.338 0.349 0.000) 0.486 28.414 ( 0.338 0.349 0.000) 0.486 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 0.000 0.000 26.568) 26.568 0.765 ( 0.000 0.000 36.689) 36.689 1.165 ( 0.000 0.000 54.342) 54.342 3.384 ( 0.000 0.000 0.543) 0.543 3.694 ( 0.000 0.000 0.298) 0.298 4.009 ( 0.000 0.000 -1.381) 1.381 5.838 ( 0.000 0.000 5.641) 5.641 6.434 ( 0.000 0.000 -4.597) 4.597 7.423 ( 0.000 0.000 -18.832) 18.832 7.431 ( 0.000 0.000 -3.405) 3.405 7.557 ( 0.000 0.000 -15.931) 15.931 7.815 ( 0.000 0.000 -0.228) 0.228 8.136 ( 0.000 0.000 15.417) 15.417 8.189 ( 0.000 0.000 -8.946) 8.946 8.329 ( 0.000 0.000 -0.868) 0.868 8.582 ( 0.000 0.000 6.784) 6.784 8.649 ( 0.000 0.000 17.400) 17.400 9.106 ( 0.000 0.000 7.967) 7.967 9.430 ( 0.000 0.000 -18.067) 18.067 9.707 ( 0.000 0.000 -16.331) 16.331 9.788 ( 0.000 0.000 19.817) 19.817 9.898 ( 0.000 0.000 -3.179) 3.179 10.365 ( 0.000 0.000 -5.448) 5.448 11.049 ( 0.000 0.000 23.548) 23.548 11.095 ( 0.000 0.000 -6.969) 6.969 11.182 ( 0.000 0.000 14.543) 14.543 11.503 ( 0.000 0.000 -2.718) 2.718 11.665 ( 0.000 0.000 22.682) 22.682 11.969 ( 0.000 0.000 -0.415) 0.415 12.747 ( 0.000 0.000 -0.077) 0.077 13.177 ( 0.000 0.000 -6.714) 6.714 13.214 ( 0.000 0.000 -4.298) 4.298 13.265 ( 0.000 0.000 -10.281) 10.281 13.310 ( 0.000 0.000 2.968) 2.968 13.322 ( 0.000 0.000 -2.794) 2.794 13.340 ( 0.000 0.000 1.382) 1.382 13.514 ( 0.000 0.000 -0.739) 0.739 13.603 ( 0.000 0.000 0.432) 0.432 13.657 ( 0.000 0.000 -5.070) 5.070 14.166 ( 0.000 0.000 -2.543) 2.543 14.249 ( 0.000 0.000 -0.809) 0.809 14.372 ( 0.000 0.000 5.391) 5.391 14.736 ( 0.000 0.000 7.638) 7.638 14.967 ( 0.000 0.000 0.794) 0.794 15.309 ( 0.000 0.000 -3.241) 3.241 15.731 ( 0.000 0.000 -1.053) 1.053 15.803 ( 0.000 0.000 -4.772) 4.772 15.910 ( 0.000 0.000 -11.980) 11.980 16.248 ( 0.000 0.000 -5.706) 5.706 16.260 ( 0.000 0.000 4.054) 4.054 16.268 ( 0.000 0.000 -0.880) 0.880 17.779 ( 0.000 0.000 1.758) 1.758 24.382 ( 0.000 0.000 -1.563) 1.563 24.528 ( 0.000 0.000 -1.797) 1.797 24.855 ( 0.000 0.000 -0.471) 0.471 24.939 ( 0.000 0.000 -0.409) 0.409 24.973 ( 0.000 0.000 7.069) 7.069 27.411 ( 0.000 0.000 -7.923) 7.923 28.323 ( 0.000 0.000 3.682) 3.682 28.447 ( 0.000 0.000 -0.177) 0.177 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 23.754 0.000 22.411) 32.657 0.976 ( 19.721 0.000 26.977) 33.417 1.454 ( 32.224 0.000 37.258) 49.260 3.312 ( -7.426 0.000 0.796) 7.469 3.598 ( -9.468 0.000 -0.110) 9.468 4.060 ( 3.609 0.000 0.428) 3.634 5.928 ( 9.057 0.000 4.402) 10.070 6.465 ( 3.379 0.000 -4.048) 5.273 7.360 ( -5.136 0.000 -15.783) 16.598 7.437 ( 0.027 0.000 -4.039) 4.039 7.474 ( -7.446 0.000 -16.095) 17.734 7.821 ( 0.017 0.000 0.838) 0.838 8.050 ( -9.515 0.000 -10.206) 13.953 8.110 ( -2.568 0.000 15.298) 15.512 8.480 ( 8.867 0.000 -2.513) 9.216 8.591 ( 1.002 0.000 7.364) 7.432 8.716 ( 7.662 0.000 13.410) 15.444 9.023 ( -3.014 0.000 16.062) 16.342 9.337 ( -8.587 0.000 -3.927) 9.443 9.719 ( -1.248 0.000 -12.638) 12.699 9.865 ( 2.369 0.000 -2.174) 3.215 9.893 ( 9.972 0.000 5.858) 11.565 10.324 ( -0.685 0.000 -3.461) 3.528 11.047 ( -0.793 0.000 22.279) 22.293 11.104 ( -0.050 0.000 -7.026) 7.026 11.135 ( -4.264 0.000 13.601) 14.254 11.460 ( -0.667 0.000 0.667) 0.944 11.812 ( 11.800 0.000 18.643) 22.064 12.008 ( 4.109 0.000 -0.371) 4.125 12.668 ( -7.538 0.000 -2.308) 7.884 13.039 ( -10.276 0.000 0.318) 10.281 13.197 ( -8.801 0.000 -12.450) 15.247 13.213 ( -1.277 0.000 -5.025) 5.185 13.302 ( -0.628 0.000 3.026) 3.091 13.359 ( 5.060 0.000 -6.124) 7.944 13.447 ( -2.188 0.000 -4.007) 4.565 13.450 ( 6.589 0.000 3.035) 7.254 13.585 ( -1.443 0.000 2.248) 2.671 13.685 ( 0.395 0.000 3.520) 3.543 14.218 ( 0.501 0.000 -4.045) 4.076 14.440 ( 2.874 0.000 -0.359) 2.897 14.550 ( 10.526 0.000 -16.794) 19.820 14.654 ( -4.256 0.000 7.955) 9.022 15.069 ( 11.166 0.000 -3.370) 11.663 15.339 ( 2.095 0.000 -2.545) 3.296 15.587 ( -6.514 0.000 2.646) 7.031 15.826 ( 2.433 0.000 -4.695) 5.288 15.998 ( 3.393 0.000 -13.803) 14.214 16.210 ( -1.170 0.000 -4.212) 4.371 16.235 ( -1.357 0.000 -5.621) 5.782 16.461 ( 12.110 0.000 2.629) 12.392 17.591 ( -12.192 0.000 8.552) 14.892 24.537 ( 0.992 0.000 -1.743) 2.006 24.750 ( 7.524 0.000 -14.470) 16.310 24.839 ( -1.621 0.000 -0.516) 1.702 24.949 ( -2.064 0.000 6.293) 6.623 25.137 ( 28.104 0.000 -15.916) 32.297 27.126 ( -20.112 0.000 8.438) 21.810 28.325 ( 0.500 0.000 3.413) 3.449 28.441 ( -0.430 0.000 -0.171) 0.463 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 23.875 0.000 21.195) 31.925 1.422 ( 25.741 0.000 15.404) 29.999 2.211 ( 41.729 0.000 17.444) 45.228 3.108 ( -13.850 0.000 1.481) 13.929 3.348 ( -16.274 0.000 1.085) 16.310 4.095 ( -1.014 0.000 2.722) 2.904 6.154 ( 13.740 0.000 0.236) 13.743 6.564 ( 6.931 0.000 -1.787) 7.158 7.281 ( -11.037 0.000 -18.971) 21.948 7.285 ( -1.910 0.000 -10.954) 11.119 7.441 ( -1.511 0.000 -2.400) 2.836 7.806 ( -1.063 0.000 4.662) 4.782 7.845 ( -11.847 0.000 -9.134) 14.960 8.049 ( -3.524 0.000 14.315) 14.742 8.613 ( 5.995 0.000 0.479) 6.014 8.624 ( 2.529 0.000 8.271) 8.649 8.913 ( 9.180 0.000 2.870) 9.619 9.028 ( 3.983 0.000 14.376) 14.918 9.143 ( -11.028 0.000 6.784) 12.947 9.649 ( -5.054 0.000 -6.975) 8.614 10.020 ( 12.515 0.000 -5.140) 13.530 10.131 ( 14.353 0.000 -4.587) 15.068 10.357 ( 3.945 0.000 -3.249) 5.111 11.003 ( -4.278 0.000 17.977) 18.479 11.023 ( -7.486 0.000 12.320) 14.416 11.056 ( -5.273 0.000 -6.491) 8.363 11.534 ( 8.289 0.000 -1.365) 8.400 12.046 ( 11.419 0.000 16.963) 20.448 12.119 ( 6.969 0.000 -0.668) 7.001 12.500 ( -9.319 0.000 -4.989) 10.570 12.854 ( -8.043 0.000 1.619) 8.204 12.974 ( -11.879 0.000 -11.014) 16.199 13.172 ( -3.356 0.000 -2.244) 4.037 13.292 ( -1.087 0.000 1.765) 2.072 13.441 ( -0.271 0.000 -3.294) 3.305 13.457 ( 4.755 0.000 -5.922) 7.594 13.555 ( 4.105 0.000 1.729) 4.454 13.571 ( 1.140 0.000 3.917) 4.079 13.658 ( -2.889 0.000 8.529) 9.005 14.230 ( 0.970 0.000 -2.968) 3.123 14.290 ( -14.136 0.000 0.666) 14.152 14.542 ( -6.036 0.000 -4.992) 7.832 14.763 ( 11.399 0.000 0.875) 11.432 15.259 ( 7.253 0.000 -4.122) 8.342 15.353 ( -1.051 0.000 -2.288) 2.518 15.531 ( -0.778 0.000 0.508) 0.929 15.892 ( 4.262 0.000 -4.446) 6.159 16.044 ( 2.036 0.000 -11.983) 12.154 16.190 ( -1.186 0.000 -6.459) 6.567 16.198 ( -2.559 0.000 -5.360) 5.940 16.676 ( 10.920 0.000 4.120) 11.671 17.408 ( -7.833 0.000 4.775) 9.174 24.565 ( 1.954 0.000 -1.590) 2.519 24.749 ( -2.201 0.000 -3.272) 3.944 24.795 ( -2.843 0.000 -0.649) 2.916 24.887 ( -4.187 0.000 6.231) 7.507 25.659 ( 23.184 0.000 -21.398) 31.549 26.806 ( -13.891 0.000 7.880) 15.970 28.342 ( 1.201 0.000 2.741) 2.993 28.431 ( -0.676 0.000 0.103) 0.684 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 27.473 0.000 13.691) 30.696 1.918 ( 25.851 0.000 8.561) 27.231 2.772 ( -2.161 0.000 5.896) 6.279 2.793 ( -19.160 0.000 2.658) 19.344 3.157 ( 14.775 0.000 8.419) 17.005 3.983 ( -11.600 0.000 4.727) 12.526 6.416 ( 13.329 0.000 -6.320) 14.751 6.701 ( 5.103 0.000 0.002) 5.103 7.097 ( -5.781 0.000 -16.793) 17.760 7.302 ( 3.801 0.000 -7.689) 8.578 7.350 ( -8.354 0.000 -1.473) 8.483 7.618 ( -11.540 0.000 -7.259) 13.633 7.815 ( 2.495 0.000 8.790) 9.137 7.977 ( -4.214 0.000 12.642) 13.326 8.688 ( 4.227 0.000 8.856) 9.813 8.730 ( 6.378 0.000 2.903) 7.007 8.940 ( -3.117 0.000 8.578) 9.127 8.943 ( -9.580 0.000 9.526) 13.510 9.210 ( 11.242 0.000 -3.247) 11.702 9.540 ( -6.370 0.000 -7.443) 9.796 10.303 ( 16.277 0.000 0.941) 16.304 10.416 ( 15.175 0.000 -7.334) 16.854 10.471 ( 7.817 0.000 -0.408) 7.828 10.850 ( -10.148 0.000 7.007) 12.333 10.881 ( -8.974 0.000 15.299) 17.736 10.911 ( -9.782 0.000 -6.685) 11.848 11.744 ( 12.949 0.000 -2.774) 13.243 12.160 ( -1.888 0.000 7.927) 8.149 12.230 ( 3.600 0.000 -2.012) 4.124 12.344 ( -6.390 0.000 -5.564) 8.473 12.786 ( 2.110 0.000 1.615) 2.657 12.854 ( 1.737 0.000 -2.658) 3.175 13.075 ( -7.033 0.000 -0.942) 7.096 13.213 ( -8.073 0.000 2.652) 8.498 13.443 ( 1.678 0.000 1.922) 2.552 13.532 ( 3.222 0.000 -4.574) 5.595 13.587 ( -4.359 0.000 8.406) 9.469 13.598 ( 0.436 0.000 -0.370) 0.572 13.645 ( 6.163 0.000 1.730) 6.401 14.017 ( -13.564 0.000 0.715) 13.582 14.259 ( 2.197 0.000 -1.359) 2.583 14.415 ( -6.323 0.000 -0.334) 6.332 14.983 ( 11.034 0.000 -2.186) 11.249 15.296 ( -4.917 0.000 -2.653) 5.587 15.367 ( 4.769 0.000 -1.389) 4.967 15.508 ( -2.187 0.000 0.162) 2.193 15.979 ( 4.704 0.000 -4.328) 6.392 16.083 ( 2.091 0.000 -10.453) 10.660 16.140 ( -3.538 0.000 -4.956) 6.090 16.162 ( -1.809 0.000 -7.691) 7.900 16.887 ( 11.232 0.000 3.641) 11.807 17.262 ( -8.030 0.000 2.262) 8.342 24.610 ( 2.798 0.000 -1.365) 3.113 24.720 ( -0.438 0.000 0.632) 0.769 24.735 ( -3.427 0.000 -0.854) 3.532 24.803 ( -4.244 0.000 5.277) 6.772 26.033 ( 17.010 0.000 -13.460) 21.691 26.565 ( -12.207 0.000 1.036) 12.251 28.367 ( 1.408 0.000 2.080) 2.512 28.415 ( -0.995 0.000 0.682) 1.206 ======================= Grid point 67 (25/120) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -26.741 0.000 7.559) 27.789 2.382 ( 26.741 0.000 7.559) 27.789 2.388 ( -23.310 0.000 4.751) 23.789 2.388 ( 23.310 0.000 4.751) 23.789 3.642 ( -24.104 0.000 7.330) 25.194 3.642 ( 24.104 0.000 7.330) 25.194 6.643 ( -9.775 0.000 -8.598) 13.018 6.643 ( 9.775 0.000 -8.598) 13.018 7.158 ( -9.961 0.000 -3.719) 10.632 7.158 ( 9.961 0.000 -3.719) 10.632 7.423 ( -8.644 0.000 -6.566) 10.855 7.423 ( 8.644 0.000 -6.566) 10.855 7.890 ( -4.752 0.000 11.038) 12.018 7.890 ( 4.752 0.000 11.038) 12.018 8.789 ( -6.614 0.000 9.395) 11.490 8.789 ( 6.614 0.000 9.395) 11.490 8.849 ( -5.943 0.000 5.784) 8.293 8.849 ( 5.943 0.000 5.784) 8.293 9.400 ( -8.616 0.000 -7.600) 11.489 9.400 ( 8.616 0.000 -7.600) 11.489 10.575 ( -7.104 0.000 5.936) 9.258 10.575 ( 7.104 0.000 5.936) 9.258 10.690 ( -13.305 0.000 -7.300) 15.176 10.690 ( 13.305 0.000 -7.300) 15.176 10.704 ( -4.281 0.000 6.131) 7.478 10.704 ( 4.281 0.000 6.131) 7.478 11.997 ( -12.706 0.000 -1.233) 12.765 11.997 ( 12.706 0.000 -1.233) 12.765 12.268 ( -1.936 0.000 -3.974) 4.421 12.268 ( 1.936 0.000 -3.974) 4.421 12.912 ( -9.221 0.000 0.373) 9.228 12.912 ( 9.221 0.000 0.373) 9.228 13.010 ( -11.731 0.000 4.118) 12.433 13.010 ( 11.731 0.000 4.118) 12.433 13.503 ( -4.130 0.000 5.520) 6.894 13.503 ( 4.130 0.000 5.520) 6.894 13.581 ( -1.904 0.000 -2.702) 3.305 13.581 ( 1.904 0.000 -2.702) 3.305 13.795 ( -9.722 0.000 0.706) 9.747 13.795 ( 9.722 0.000 0.706) 9.747 14.317 ( -4.009 0.000 0.168) 4.012 14.317 ( 4.009 0.000 0.168) 4.012 15.169 ( -8.341 0.000 -2.870) 8.821 15.169 ( 8.341 0.000 -2.870) 8.821 15.449 ( -3.831 0.000 -0.080) 3.832 15.449 ( 3.831 0.000 -0.080) 3.832 16.065 ( -4.292 0.000 -4.542) 6.249 16.065 ( 4.292 0.000 -4.542) 6.249 16.124 ( -2.147 0.000 -9.000) 9.253 16.124 ( 2.147 0.000 -9.000) 9.253 17.091 ( -10.029 0.000 2.390) 10.310 17.091 ( 10.029 0.000 2.390) 10.310 24.670 ( -3.359 0.000 -1.105) 3.536 24.670 ( 3.359 0.000 -1.105) 3.536 24.738 ( -2.347 0.000 3.371) 4.108 24.738 ( 2.347 0.000 3.371) 4.108 26.322 ( -13.723 0.000 -6.028) 14.988 26.322 ( 13.723 0.000 -6.028) 14.988 28.393 ( -1.284 0.000 1.379) 1.885 28.393 ( 1.284 0.000 1.379) 1.885 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.000 25.203 15.168) 29.415 1.055 ( 0.000 24.685 23.654) 34.188 1.658 ( 0.000 36.876 37.057) 52.279 3.408 ( 0.000 -0.272 -2.684) 2.697 3.653 ( 0.000 -2.114 4.343) 4.830 3.823 ( 0.000 -16.274 -0.915) 16.300 5.865 ( 0.000 1.848 5.028) 5.357 6.597 ( 0.000 9.028 -13.989) 16.650 7.390 ( 0.000 -28.053 0.826) 28.065 7.482 ( 0.000 -0.352 -9.828) 9.834 7.488 ( 0.000 4.081 -14.566) 15.126 7.629 ( 0.000 8.241 -8.470) 11.818 8.029 ( 0.000 -1.890 11.446) 11.601 8.185 ( 0.000 -0.579 -8.908) 8.927 8.470 ( 0.000 -8.419 6.203) 10.457 8.544 ( 0.000 2.686 11.131) 11.451 8.850 ( 0.000 18.335 1.584) 18.403 8.983 ( 0.000 -2.048 15.993) 16.123 9.443 ( 0.000 1.590 -14.259) 14.348 9.736 ( 0.000 2.490 -15.453) 15.652 9.744 ( 0.000 -3.363 13.863) 14.265 9.920 ( 0.000 -1.837 11.316) 11.464 10.169 ( 0.000 -9.602 -7.346) 12.089 11.003 ( 0.000 -3.078 18.666) 18.918 11.093 ( 0.000 -7.518 12.678) 14.739 11.128 ( 0.000 2.604 -7.488) 7.928 11.576 ( 0.000 5.150 -1.144) 5.276 11.755 ( 0.000 7.159 24.532) 25.555 11.979 ( 0.000 0.839 -0.512) 0.983 12.760 ( 0.000 -3.348 1.267) 3.580 12.900 ( 0.000 -11.089 3.234) 11.551 13.112 ( 0.000 -5.269 -12.009) 13.114 13.226 ( 0.000 -3.886 -10.135) 10.854 13.253 ( 0.000 -2.097 -0.801) 2.244 13.268 ( 0.000 -1.609 0.632) 1.729 13.455 ( 0.000 -3.910 2.153) 4.463 13.678 ( 0.000 5.119 -0.232) 5.124 13.714 ( 0.000 14.119 -7.067) 15.789 14.171 ( 0.000 0.905 0.172) 0.921 14.188 ( 0.000 14.228 -16.513) 21.797 14.442 ( 0.000 6.000 4.145) 7.292 14.600 ( 0.000 18.350 -6.142) 19.350 14.920 ( 0.000 19.792 -7.442) 21.145 14.968 ( 0.000 0.469 -1.500) 1.572 15.225 ( 0.000 -7.413 -1.960) 7.667 15.708 ( 0.000 -2.543 -4.076) 4.804 15.831 ( 0.000 2.624 -2.870) 3.889 15.936 ( 0.000 2.379 -13.790) 13.993 16.158 ( 0.000 -4.126 -4.321) 5.975 16.251 ( 0.000 -1.590 -0.765) 1.764 16.347 ( 0.000 4.257 0.212) 4.262 17.313 ( 0.000 -24.817 22.687) 33.624 24.408 ( 0.000 2.396 -1.514) 2.834 24.792 ( 0.000 0.280 -3.759) 3.769 24.910 ( 0.000 -2.659 -0.474) 2.701 24.953 ( 0.000 -1.509 6.703) 6.870 25.255 ( 0.000 32.703 -25.671) 41.576 27.082 ( 0.000 -19.707 5.331) 20.416 28.335 ( 0.000 1.219 2.830) 3.081 28.447 ( 0.000 0.016 -0.222) 0.223 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.12 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 17.378 15.027 19.688) 30.256 1.227 ( 14.589 21.685 20.646) 33.307 1.897 ( 24.567 32.929 25.902) 48.568 3.318 ( -8.574 -2.028 -2.836) 9.256 3.570 ( -8.265 -0.699 4.574) 9.472 3.897 ( 6.057 -13.898 0.643) 15.174 5.934 ( 7.020 0.134 4.342) 8.255 6.576 ( -1.107 6.913 -10.172) 12.349 7.344 ( -8.368 -1.777 -13.209) 15.737 7.370 ( -4.119 -21.613 -0.371) 22.005 7.517 ( 0.531 0.813 -9.335) 9.386 7.615 ( -0.890 7.408 -5.903) 9.514 8.003 ( -3.432 -3.442 11.266) 12.270 8.104 ( -7.113 1.806 -6.278) 9.658 8.490 ( 2.546 -6.777 4.619) 8.588 8.655 ( 10.099 1.947 8.123) 13.105 8.895 ( 4.311 17.191 1.444) 17.782 9.011 ( 2.840 1.759 14.458) 14.839 9.336 ( -9.188 0.316 -2.246) 9.464 9.724 ( -1.753 -0.029 -9.204) 9.370 9.855 ( 8.796 -0.540 0.928) 8.862 9.946 ( 5.241 1.134 5.712) 7.835 10.184 ( 1.684 -8.823 -7.173) 11.494 11.002 ( -0.901 -3.822 15.782) 16.264 11.048 ( -3.829 -6.476 15.003) 16.784 11.130 ( -0.669 1.779 -7.328) 7.570 11.533 ( -1.325 5.666 2.055) 6.171 11.843 ( 6.485 2.291 15.259) 16.737 12.042 ( 6.742 3.088 3.770) 8.318 12.681 ( -8.770 1.067 -2.893) 9.296 12.862 ( -0.986 -17.328 3.440) 17.694 13.009 ( -10.970 -2.429 -0.411) 11.243 13.136 ( -4.438 -6.204 -11.659) 13.933 13.280 ( 3.742 -2.711 -6.669) 8.113 13.409 ( 4.046 0.668 -0.855) 4.189 13.436 ( 0.624 1.112 0.689) 1.449 13.633 ( -2.721 -0.390 2.459) 3.688 13.715 ( -0.158 14.048 -3.972) 14.600 13.922 ( -8.992 15.175 0.476) 17.645 14.346 ( 3.880 8.406 -6.333) 11.218 14.484 ( 0.420 4.872 0.118) 4.892 14.653 ( 2.595 5.418 -1.577) 6.211 14.743 ( -10.693 7.798 -1.260) 13.294 15.115 ( 9.367 4.195 -9.299) 13.849 15.278 ( 3.138 -4.532 -1.192) 5.640 15.573 ( -6.266 -1.770 1.814) 6.759 15.846 ( 1.868 1.965 -3.710) 4.595 16.006 ( 2.887 0.742 -13.549) 13.873 16.171 ( 0.395 -2.580 -7.022) 7.492 16.241 ( -1.166 -0.255 -3.676) 3.865 16.476 ( 10.568 1.416 1.729) 10.802 17.313 ( -0.259 -18.277 13.874) 22.948 24.445 ( 2.786 -1.496 -1.404) 3.460 24.775 ( -2.057 -1.119 -2.579) 3.484 24.873 ( -2.944 -0.728 -0.368) 3.055 24.935 ( -1.990 -1.433 6.395) 6.849 25.455 ( 17.275 21.789 -25.149) 37.492 26.959 ( -10.399 -12.077 6.993) 17.404 28.338 ( 0.452 1.202 2.650) 2.944 28.440 ( -0.560 -0.033 -0.339) 0.655 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.25 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 24.280 7.395 15.353) 29.663 1.551 ( 19.892 15.507 19.415) 31.829 2.484 ( 33.263 22.479 12.424) 42.025 3.105 ( -13.401 -2.237 -1.555) 13.675 3.350 ( -14.435 0.954 5.557) 15.497 3.993 ( 2.666 -8.438 2.097) 9.094 6.116 ( 11.720 -3.620 2.208) 12.463 6.584 ( 2.136 1.109 -5.979) 6.445 7.157 ( -10.239 -4.795 -11.646) 16.231 7.283 ( -6.333 -16.612 -5.239) 18.534 7.489 ( -1.916 8.035 -10.432) 13.307 7.644 ( 3.370 -2.244 3.920) 5.635 7.876 ( -8.777 -4.369 2.592) 10.141 7.988 ( -5.030 5.721 6.053) 9.730 8.546 ( 3.247 -6.081 5.217) 8.645 8.861 ( 9.501 5.535 1.416) 11.087 8.993 ( 4.465 9.822 0.370) 10.796 9.070 ( 1.283 6.702 11.004) 12.947 9.168 ( -4.512 3.632 6.399) 8.631 9.657 ( -4.642 -0.095 -4.458) 6.437 10.050 ( 12.221 1.727 -3.586) 12.853 10.139 ( 13.500 0.337 -3.132) 13.863 10.243 ( 4.753 -8.128 -5.534) 10.922 10.917 ( -7.168 -7.763 8.035) 13.274 10.991 ( -3.516 -1.541 19.737) 20.107 11.071 ( -5.686 0.685 -6.633) 8.763 11.583 ( 6.543 3.819 0.618) 7.601 11.966 ( 6.322 -4.291 6.742) 10.190 12.202 ( 8.263 4.444 8.345) 12.557 12.478 ( -11.194 -1.286 -6.132) 12.828 12.792 ( -9.281 -5.346 1.479) 10.813 12.880 ( 1.221 -12.515 3.827) 13.144 13.004 ( -8.443 -2.576 -11.911) 14.825 13.318 ( -0.537 0.638 0.730) 1.108 13.390 ( -0.732 -1.449 -1.496) 2.207 13.524 ( 4.248 0.706 -0.707) 4.364 13.626 ( 0.462 5.546 -0.309) 5.574 13.678 ( -2.561 3.194 3.996) 5.721 13.862 ( 1.054 18.114 1.633) 18.218 14.335 ( -13.535 3.765 0.447) 14.056 14.353 ( -1.769 10.042 -2.723) 10.554 14.559 ( -8.719 1.787 -2.759) 9.318 14.790 ( 10.583 2.296 0.785) 10.857 15.262 ( 5.824 0.218 -5.236) 7.835 15.307 ( 0.151 -3.997 -1.511) 4.276 15.520 ( -0.974 -1.254 0.988) 1.870 15.898 ( 3.491 0.611 -3.543) 5.011 16.046 ( 1.770 0.231 -11.308) 11.448 16.167 ( -0.774 -1.583 -7.647) 7.848 16.206 ( -2.487 0.264 -4.509) 5.156 16.678 ( 10.745 0.407 2.941) 11.148 17.291 ( -2.397 -9.236 3.929) 10.319 24.496 ( 2.646 -3.401 -0.950) 4.413 24.721 ( -3.082 -2.191 -0.257) 3.790 24.814 ( -3.141 -0.006 0.089) 3.142 24.879 ( -3.697 -0.986 5.812) 6.958 25.795 ( 17.351 10.662 -19.606) 28.269 26.758 ( -10.294 -4.254 4.537) 12.027 28.352 ( 0.954 0.902 2.151) 2.520 28.428 ( -0.701 -0.164 -0.268) 0.768 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.38 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 23.100 5.977 10.496) 26.068 2.000 ( 26.275 7.803 13.263) 30.449 2.746 ( -15.870 -0.526 0.548) 15.889 2.916 ( -14.540 7.476 7.427) 17.957 3.247 ( 20.825 8.604 7.226) 23.663 3.955 ( -7.549 -1.921 3.252) 8.441 6.360 ( 13.401 -6.158 -1.159) 14.794 6.650 ( 3.748 -4.368 -2.301) 6.199 6.964 ( -8.964 -7.964 -13.620) 18.146 7.126 ( -9.878 -15.519 -5.880) 19.313 7.493 ( 2.648 10.876 -6.145) 12.769 7.706 ( -3.049 5.743 -1.552) 6.684 7.728 ( -0.474 -9.757 8.114) 12.699 7.894 ( -4.950 2.858 11.091) 12.477 8.620 ( 4.774 -4.705 6.744) 9.508 8.893 ( -8.605 -2.109 8.203) 12.074 9.006 ( 4.522 13.382 0.016) 14.125 9.091 ( 0.951 12.742 3.739) 13.313 9.265 ( 9.077 5.666 -0.620) 10.718 9.558 ( -5.841 1.207 -4.949) 7.750 10.316 ( 14.802 1.170 1.314) 14.907 10.364 ( 8.269 -7.985 -2.586) 11.782 10.416 ( 14.650 -0.575 -7.031) 16.260 10.760 ( -8.906 -6.998 5.750) 12.702 10.877 ( -8.685 -0.345 15.557) 17.820 10.923 ( -9.580 0.366 -6.217) 11.427 11.754 ( 10.656 0.433 -0.194) 10.666 12.049 ( 0.715 -7.337 3.942) 8.360 12.275 ( -2.277 0.855 -0.887) 2.589 12.304 ( -5.229 -2.315 -3.346) 6.625 12.690 ( -0.243 -6.576 1.474) 6.744 12.863 ( -5.992 -4.303 -6.216) 9.646 12.942 ( 5.847 -3.119 5.098) 8.362 13.253 ( -6.157 1.938 4.503) 7.870 13.411 ( 2.753 -2.340 1.446) 3.892 13.560 ( -3.138 1.466 2.348) 4.184 13.600 ( 1.329 3.672 -3.243) 5.077 13.675 ( -0.152 3.663 3.191) 4.860 13.900 ( 2.316 17.993 1.095) 18.175 14.090 ( -10.592 6.010 0.429) 12.186 14.316 ( -1.366 5.369 -1.512) 5.743 14.409 ( -6.458 0.144 0.693) 6.496 14.997 ( 10.337 1.086 -2.315) 10.649 15.274 ( -3.629 -2.035 -2.426) 4.816 15.357 ( 4.387 -0.924 -1.556) 4.745 15.492 ( -2.278 -1.353 0.686) 2.737 15.975 ( 4.444 -0.346 -3.793) 5.853 16.077 ( 1.440 -0.568 -9.620) 9.744 16.139 ( -2.564 -0.374 -6.769) 7.248 16.153 ( -2.465 -0.499 -5.650) 6.185 16.886 ( 10.847 0.030 2.003) 11.030 17.216 ( -5.632 -3.966 0.521) 6.908 24.549 ( 2.981 -3.727 -0.281) 4.781 24.667 ( -2.793 -3.123 1.413) 4.421 24.762 ( -1.890 0.298 0.905) 2.116 24.807 ( -3.507 -0.340 4.576) 5.775 26.099 ( 14.623 5.514 -12.765) 20.179 26.564 ( -10.404 -0.283 -0.733) 10.433 28.373 ( 1.155 0.476 1.520) 1.968 28.413 ( -0.898 -0.123 0.186) 0.926 ======================= Grid point 76 (30/120) ======================= q-point: (-0.50 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -20.985 1.054 4.795) 21.552 2.362 ( 20.985 1.054 4.795) 21.552 2.501 ( -24.097 6.710 9.494) 26.755 2.501 ( 24.097 6.710 9.494) 26.755 3.692 ( -19.944 4.807 4.952) 21.105 3.692 ( 19.944 4.807 4.952) 21.105 6.597 ( -10.275 -5.683 -3.118) 12.149 6.597 ( 10.275 -5.683 -3.118) 12.149 6.943 ( -7.466 -13.161 -8.641) 17.425 6.943 ( 7.466 -13.161 -8.641) 17.425 7.581 ( -6.141 8.199 -4.021) 11.005 7.581 ( 6.141 8.199 -4.021) 11.005 7.804 ( -4.525 -3.123 11.317) 12.582 7.804 ( 4.525 -3.123 11.317) 12.582 8.735 ( -7.362 -2.961 7.995) 11.264 8.735 ( 7.362 -2.961 7.995) 11.264 9.075 ( -2.403 14.674 1.947) 14.996 9.075 ( 2.403 14.674 1.947) 14.996 9.430 ( -7.801 2.905 -5.368) 9.906 9.430 ( 7.801 2.905 -5.368) 9.906 10.505 ( -3.616 -6.095 2.125) 7.399 10.505 ( 3.616 -6.095 2.125) 7.399 10.645 ( -5.612 -1.921 -0.106) 5.933 10.645 ( 5.612 -1.921 -0.106) 5.933 10.733 ( -5.250 0.946 1.564) 5.559 10.733 ( 5.250 0.946 1.564) 5.559 11.955 ( -9.389 -3.982 1.148) 10.263 11.955 ( 9.389 -3.982 1.148) 10.263 12.245 ( -1.384 -2.074 -3.846) 4.583 12.245 ( 1.384 -2.074 -3.846) 4.583 12.756 ( -5.518 -7.737 -1.183) 9.576 12.756 ( 5.518 -7.737 -1.183) 9.576 13.098 ( -9.385 2.819 6.213) 11.603 13.098 ( 9.385 2.819 6.213) 11.603 13.481 ( -4.267 -0.654 3.196) 5.371 13.481 ( 4.267 -0.654 3.196) 5.371 13.643 ( -2.592 3.644 -0.901) 4.562 13.643 ( 2.592 3.644 -0.901) 4.562 13.955 ( -4.171 12.777 0.460) 13.448 13.955 ( 4.171 12.777 0.460) 13.448 14.324 ( -2.435 1.292 0.342) 2.778 14.324 ( 2.435 1.292 0.342) 2.778 15.168 ( -7.471 -0.261 -2.940) 8.033 15.168 ( 7.471 -0.261 -2.940) 8.033 15.435 ( -3.676 -1.246 0.248) 3.889 15.435 ( 3.676 -1.246 0.248) 3.889 16.059 ( -4.066 -0.635 -4.616) 6.185 16.059 ( 4.066 -0.635 -4.616) 6.185 16.117 ( -1.503 -0.550 -8.132) 8.288 16.117 ( 1.503 -0.550 -8.132) 8.288 17.076 ( -8.914 -1.235 0.601) 9.019 17.076 ( 8.914 -1.235 0.601) 9.019 24.609 ( -3.223 -3.681 0.812) 4.960 24.609 ( 3.223 -3.681 0.812) 4.960 24.757 ( -1.399 0.213 2.818) 3.153 24.757 ( 1.399 0.213 2.818) 3.153 26.352 ( -12.126 2.487 -6.533) 13.997 26.352 ( 12.126 2.487 -6.533) 13.997 28.394 ( -1.093 0.106 0.835) 1.380 28.394 ( 1.093 0.106 0.835) 1.380 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 29.874 6.756) 30.629 1.670 ( 0.000 30.518 10.458) 32.260 2.485 ( 0.000 37.340 22.428) 43.558 3.254 ( 0.000 -13.830 -4.190) 14.450 3.368 ( 0.000 -25.132 -0.111) 25.133 3.656 ( 0.000 0.418 8.736) 8.746 5.904 ( 0.000 2.317 4.655) 5.200 6.773 ( 0.000 -26.907 4.420) 27.267 6.797 ( 0.000 10.218 -14.598) 17.819 7.427 ( 0.000 -4.480 -16.583) 17.178 7.631 ( 0.000 7.534 -8.899) 11.660 7.828 ( 0.000 8.418 2.687) 8.836 7.996 ( 0.000 -2.041 8.957) 9.187 8.103 ( 0.000 -6.786 0.412) 6.798 8.405 ( 0.000 4.818 -6.194) 7.847 8.599 ( 0.000 4.762 6.741) 8.254 9.016 ( 0.000 3.578 16.040) 16.434 9.103 ( 0.000 2.221 -8.561) 8.844 9.545 ( 0.000 8.546 -3.717) 9.320 9.584 ( 0.000 -13.278 7.836) 15.417 9.680 ( 0.000 -15.243 11.212) 18.922 9.794 ( 0.000 2.334 -12.662) 12.875 10.180 ( 0.000 7.625 0.238) 7.628 10.886 ( 0.000 -11.311 11.081) 15.835 10.969 ( 0.000 0.697 8.624) 8.652 11.178 ( 0.000 1.240 -9.662) 9.742 11.702 ( 0.000 6.482 -1.050) 6.567 11.922 ( 0.000 7.742 26.037) 27.163 11.995 ( 0.000 0.126 -0.916) 0.924 12.481 ( 0.000 -14.056 12.897) 19.076 12.937 ( 0.000 5.894 -0.741) 5.940 12.982 ( 0.000 -5.622 -12.784) 13.966 13.109 ( 0.000 -6.255 -9.193) 11.119 13.197 ( 0.000 -2.859 -2.301) 3.670 13.252 ( 0.000 0.192 1.700) 1.711 13.387 ( 0.000 -2.764 0.749) 2.863 13.756 ( 0.000 4.112 -1.277) 4.306 13.952 ( 0.000 4.557 -6.456) 7.903 14.249 ( 0.000 7.422 5.827) 9.436 14.415 ( 0.000 8.817 -7.305) 11.450 14.573 ( 0.000 5.076 1.731) 5.363 14.838 ( 0.000 9.276 4.336) 10.239 14.974 ( 0.000 -6.714 -3.481) 7.562 15.059 ( 0.000 -0.017 -3.118) 3.118 15.218 ( 0.000 4.880 -2.567) 5.515 15.612 ( 0.000 -6.431 -7.514) 9.890 15.909 ( 0.000 4.493 -1.341) 4.689 16.000 ( 0.000 3.041 -15.646) 15.939 16.093 ( 0.000 -1.695 -10.590) 10.724 16.199 ( 0.000 -3.197 -0.606) 3.254 16.442 ( 0.000 4.698 1.330) 4.883 16.924 ( 0.000 -12.945 17.115) 21.459 24.482 ( 0.000 4.399 -1.371) 4.607 24.781 ( 0.000 -0.313 0.487) 0.579 24.829 ( 0.000 -4.725 -0.651) 4.770 24.903 ( 0.000 -2.889 6.496) 7.110 25.782 ( 0.000 18.606 -18.283) 26.086 26.719 ( 0.000 -14.761 1.441) 14.831 28.369 ( 0.000 1.850 1.330) 2.279 28.445 ( 0.000 -0.252 -0.266) 0.367 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.12 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 6.233 26.048 9.859) 28.540 1.781 ( 9.214 28.184 12.562) 32.203 2.641 ( 15.990 33.758 15.885) 40.591 3.134 ( -8.550 -14.839 -4.997) 17.840 3.448 ( 0.327 -18.893 7.159) 20.206 3.665 ( 4.369 -0.741 3.314) 5.534 5.936 ( 3.276 0.785 4.608) 5.708 6.686 ( -6.004 -5.212 -3.677) 8.760 6.824 ( 0.076 -13.589 -4.616) 14.351 7.298 ( -10.190 -4.116 -14.478) 18.177 7.653 ( -1.007 7.366 -1.773) 7.643 7.798 ( -2.160 6.836 -3.155) 7.833 7.957 ( -2.566 0.893 4.793) 5.509 8.138 ( 1.788 -0.780 3.352) 3.878 8.398 ( -0.566 1.702 -4.115) 4.489 8.677 ( 8.266 1.785 6.005) 10.372 9.077 ( 0.798 -1.195 2.000) 2.463 9.093 ( 3.057 3.795 5.653) 7.464 9.465 ( -2.354 11.046 2.845) 11.647 9.598 ( -1.184 -13.874 -0.448) 13.932 9.802 ( 10.897 -5.360 6.411) 13.732 9.867 ( 6.845 -2.431 -12.050) 14.070 10.188 ( 1.179 7.372 0.901) 7.520 10.845 ( -4.046 -10.068 9.960) 14.729 10.972 ( 0.003 -0.300 10.353) 10.357 11.155 ( -2.767 0.055 -9.075) 9.488 11.671 ( -1.860 6.919 2.488) 7.584 11.891 ( -0.730 1.886 8.605) 8.840 12.120 ( 9.163 3.559 11.109) 14.833 12.506 ( 2.698 -13.403 12.279) 18.377 12.740 ( -13.918 2.261 -6.256) 15.426 12.953 ( -11.117 -2.867 -2.977) 11.860 13.008 ( -3.447 -4.293 -7.494) 9.299 13.194 ( 3.978 -5.103 -4.132) 7.677 13.414 ( 7.645 0.199 -1.494) 7.793 13.449 ( 5.709 -0.154 -0.930) 5.786 13.678 ( -6.343 4.398 2.778) 8.203 13.899 ( -5.578 2.678 -3.780) 7.250 14.199 ( -1.348 12.024 2.452) 12.345 14.520 ( 6.633 7.829 -5.133) 11.473 14.605 ( -1.303 4.662 -1.878) 5.192 14.757 ( -2.680 3.821 5.129) 6.935 14.870 ( -12.717 4.890 -1.776) 13.740 15.081 ( 6.891 -6.128 -0.913) 9.267 15.287 ( 0.829 3.158 -5.797) 6.653 15.497 ( -5.532 -5.182 -0.699) 7.613 15.908 ( 0.167 3.578 -2.703) 4.487 16.031 ( 1.771 1.550 -12.327) 12.550 16.120 ( 1.318 -1.929 -9.800) 10.075 16.218 ( 0.713 -1.870 -3.272) 3.836 16.525 ( 7.984 3.296 1.017) 8.698 16.981 ( 5.386 -12.347 10.539) 17.103 24.474 ( -0.538 3.346 -0.659) 3.452 24.743 ( -3.408 -1.714 1.094) 3.969 24.821 ( -1.151 -3.113 -0.009) 3.319 24.888 ( -1.663 -2.773 6.082) 6.888 25.860 ( 7.561 16.032 -17.190) 24.692 26.696 ( -2.350 -12.175 0.814) 12.427 28.371 ( 0.177 1.698 1.209) 2.092 28.439 ( -0.611 -0.199 -0.493) 0.810 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.25 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 15.754 17.190 11.481) 25.991 1.981 ( 11.975 23.021 15.482) 30.217 2.932 ( -7.284 -4.380 -2.850) 8.964 3.061 ( 20.208 19.260 5.648) 28.482 3.313 ( -11.815 -8.083 11.900) 18.616 3.829 ( 9.332 -4.586 -0.314) 10.402 6.027 ( 6.307 -3.324 4.535) 8.450 6.580 ( -4.574 -4.740 -1.902) 6.856 6.786 ( -4.147 -17.576 -2.939) 18.297 7.094 ( -10.959 -5.784 -13.076) 18.014 7.606 ( -2.052 3.710 7.477) 8.595 7.754 ( -2.554 8.820 -7.230) 11.687 7.912 ( -2.184 6.657 1.929) 7.267 8.129 ( -3.324 6.342 5.035) 8.754 8.420 ( 3.653 -3.593 -0.166) 5.127 8.868 ( 8.929 -0.986 3.569) 9.666 8.994 ( -4.413 -6.512 -1.137) 7.948 9.220 ( 5.752 4.348 7.432) 10.355 9.477 ( 2.887 17.008 -2.231) 17.395 9.594 ( 1.169 -5.034 1.522) 5.387 10.000 ( 9.585 -4.349 -11.162) 15.342 10.071 ( 14.370 -5.644 -2.757) 15.683 10.243 ( 5.053 6.349 3.362) 8.783 10.745 ( -6.189 -7.732 7.692) 12.540 10.954 ( -2.370 -1.435 13.423) 13.706 11.064 ( -6.774 -1.462 -7.801) 10.434 11.671 ( 2.036 4.067 3.985) 6.047 11.893 ( 0.494 -2.524 3.351) 4.224 12.274 ( 5.679 2.222 9.818) 11.558 12.470 ( -13.643 0.904 -6.937) 15.332 12.576 ( 3.037 -11.039 8.768) 14.421 12.729 ( -8.705 -3.761 1.453) 9.593 12.962 ( -1.944 -1.143 -8.914) 9.195 13.265 ( 3.863 -5.040 -0.368) 6.361 13.433 ( -5.881 4.465 1.107) 7.466 13.563 ( 5.555 2.096 -2.479) 6.434 13.645 ( 3.760 -0.064 4.773) 6.076 13.763 ( -7.971 1.433 0.776) 8.136 14.226 ( 3.093 14.088 -0.637) 14.437 14.427 ( -11.874 3.986 0.184) 12.526 14.543 ( -8.198 6.589 -3.771) 11.174 14.662 ( -6.444 8.250 1.144) 10.531 14.846 ( 8.831 2.553 0.246) 9.195 15.188 ( 3.085 -6.435 -0.025) 7.137 15.271 ( 1.296 0.178 -4.953) 5.123 15.468 ( -0.203 -3.698 1.892) 4.159 15.923 ( 1.563 1.855 -3.509) 4.266 16.054 ( 0.642 0.278 -9.848) 9.873 16.130 ( -0.258 -1.607 -7.513) 7.687 16.203 ( -2.158 -0.738 -3.989) 4.595 16.704 ( 10.295 2.281 0.152) 10.546 17.083 ( 4.182 -9.228 0.845) 10.166 24.473 ( 0.645 1.177 0.583) 1.464 24.672 ( -3.680 -2.283 2.853) 5.185 24.784 ( -2.543 -2.194 0.577) 3.408 24.840 ( -3.181 -2.480 5.353) 6.703 26.038 ( 10.465 11.221 -14.362) 21.016 26.635 ( -4.012 -7.016 -1.074) 8.153 28.376 ( 0.396 1.263 0.828) 1.562 28.425 ( -0.752 -0.172 -0.783) 1.099 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.38 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 18.463 8.973 10.323) 22.978 2.251 ( 16.753 14.587 13.428) 25.956 2.712 ( -13.228 -3.527 0.186) 13.691 3.008 ( -17.953 -0.655 12.219) 21.727 3.513 ( 21.371 14.787 2.037) 26.068 3.936 ( 0.767 0.381 -0.418) 0.953 6.176 ( 9.266 -8.838 4.608) 13.608 6.510 ( -4.252 -11.585 3.096) 12.723 6.693 ( -3.562 -11.409 -6.126) 13.431 6.889 ( -10.306 -7.761 -10.756) 16.797 7.608 ( 2.065 1.274 6.363) 6.810 7.707 ( -2.329 7.082 -4.344) 8.628 7.884 ( -0.259 10.386 2.397) 10.663 8.028 ( -6.364 8.178 5.867) 11.908 8.526 ( 6.862 -3.226 2.091) 7.866 8.817 ( -7.770 -3.955 3.794) 9.508 9.100 ( 8.814 -3.384 -1.265) 9.526 9.273 ( -0.019 -0.994 1.939) 2.179 9.546 ( 3.742 16.569 -5.288) 17.790 9.621 ( 0.705 7.606 -0.657) 7.667 10.196 ( 10.880 -5.736 -7.902) 14.620 10.354 ( 13.063 -1.077 -3.363) 13.532 10.385 ( 10.301 0.080 0.857) 10.337 10.620 ( -6.197 -4.915 4.976) 9.345 10.866 ( -7.072 -0.719 14.300) 15.970 10.908 ( -9.290 -1.752 -5.476) 10.925 11.739 ( 4.664 -1.940 4.690) 6.893 11.889 ( -1.477 -6.915 4.479) 8.370 12.258 ( -7.570 0.088 -6.130) 9.741 12.288 ( -4.337 -0.309 3.055) 5.314 12.562 ( 0.734 -5.139 0.596) 5.225 12.693 ( -1.153 -7.786 -0.587) 7.893 12.988 ( 6.136 3.895 1.716) 7.468 13.301 ( -6.943 2.892 6.735) 10.096 13.352 ( 5.068 -2.875 2.158) 6.213 13.604 ( -7.101 0.932 3.442) 7.946 13.651 ( 2.359 1.294 -3.419) 4.350 13.710 ( 1.523 -0.142 1.918) 2.454 14.199 ( -5.802 5.324 -0.428) 7.886 14.318 ( -5.933 15.306 0.632) 16.428 14.359 ( -0.367 1.853 -0.475) 1.948 14.563 ( -5.414 12.190 0.198) 13.339 15.018 ( 8.372 0.636 -2.682) 8.814 15.204 ( -0.960 -4.700 -1.612) 5.060 15.333 ( 3.780 -1.155 -0.975) 4.071 15.449 ( -1.821 -2.780 2.015) 3.886 15.971 ( 3.395 0.236 -3.966) 5.226 16.061 ( 0.173 -0.900 -8.823) 8.871 16.115 ( -1.106 -1.433 -6.808) 7.045 16.146 ( -3.556 -0.646 -3.395) 4.959 16.897 ( 9.538 1.270 -1.786) 9.787 17.116 ( -0.920 -4.861 -3.062) 5.818 24.500 ( 2.111 -0.570 1.822) 2.846 24.608 ( -3.134 -2.119 4.073) 5.559 24.739 ( -1.689 -2.036 1.272) 2.936 24.778 ( -3.110 -2.255 4.288) 5.757 26.236 ( 10.012 6.699 -10.810) 16.186 26.542 ( -5.864 -2.012 -3.876) 7.311 28.386 ( 0.575 0.695 0.269) 0.941 28.411 ( -0.723 -0.087 -0.713) 1.020 ======================= Grid point 85 (35/120) ======================= q-point: (-0.50 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -13.941 2.655 5.841) 15.347 2.407 ( 13.941 2.655 5.841) 15.347 2.642 ( -18.568 5.905 12.076) 22.923 2.642 ( 18.568 5.905 12.076) 22.923 3.834 ( -11.571 7.483 0.178) 13.781 3.834 ( 11.571 7.483 0.178) 13.781 6.366 ( -10.020 -13.804 5.014) 17.779 6.366 ( 10.020 -13.804 5.014) 17.779 6.724 ( -6.276 -7.473 -8.751) 13.108 6.724 ( 6.276 -7.473 -8.751) 13.108 7.660 ( -2.822 2.570 0.746) 3.889 7.660 ( 2.822 2.570 0.746) 3.889 7.920 ( -4.217 10.533 4.840) 12.335 7.920 ( 4.217 10.533 4.840) 12.335 8.667 ( -7.830 -2.970 3.284) 8.996 8.667 ( 7.830 -2.970 3.284) 8.996 9.229 ( -4.591 -3.150 -0.239) 5.573 9.229 ( 4.591 -3.150 -0.239) 5.573 9.605 ( -2.249 13.814 -4.989) 14.859 9.605 ( 2.249 13.814 -4.989) 14.859 10.385 ( -7.821 -3.492 -0.976) 8.620 10.385 ( 7.821 -3.492 -0.976) 8.620 10.590 ( -3.287 -3.806 -5.672) 7.580 10.590 ( 3.287 -3.806 -5.672) 7.580 10.751 ( -2.107 1.011 8.728) 9.035 10.751 ( 2.107 1.011 8.728) 9.035 11.830 ( -4.461 -7.030 5.461) 9.957 11.830 ( 4.461 -7.030 5.461) 9.957 12.206 ( -1.985 -0.775 -2.015) 2.933 12.206 ( 1.985 -0.775 -2.015) 2.933 12.627 ( -4.580 -4.927 -3.461) 7.565 12.627 ( 4.580 -4.927 -3.461) 7.565 13.150 ( -9.022 3.245 7.749) 12.328 13.150 ( 9.022 3.245 7.749) 12.328 13.466 ( -6.720 -1.593 3.564) 7.772 13.466 ( 6.720 -1.593 3.564) 7.772 13.697 ( -2.102 1.324 -1.330) 2.817 13.697 ( 2.102 1.324 -1.330) 2.817 14.180 ( -4.069 4.960 0.960) 6.487 14.180 ( 4.069 4.960 0.960) 6.487 14.454 ( -5.889 12.337 -0.375) 13.676 14.454 ( 5.889 12.337 -0.375) 13.676 15.147 ( -4.995 -1.891 -2.829) 6.044 15.147 ( 4.995 -1.891 -2.829) 6.044 15.400 ( -3.223 -1.873 1.320) 3.954 15.400 ( 3.223 -1.873 1.320) 3.954 16.040 ( -3.186 -0.884 -5.558) 6.467 16.040 ( 3.186 -0.884 -5.558) 6.467 16.100 ( -0.264 -1.073 -5.729) 5.835 16.100 ( 0.264 -1.073 -5.729) 5.835 17.049 ( -6.017 -1.144 -3.249) 6.933 17.049 ( 6.017 -1.144 -3.249) 6.933 24.550 ( -2.990 -1.559 3.266) 4.695 24.550 ( 2.990 -1.559 3.266) 4.695 24.734 ( -1.188 -2.140 2.818) 3.733 24.734 ( 1.188 -2.140 2.818) 3.733 26.409 ( -8.090 2.445 -7.205) 11.106 26.409 ( 8.090 2.445 -7.205) 11.106 28.398 ( -0.673 0.202 -0.303) 0.765 28.398 ( 0.673 0.202 -0.303) 0.765 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 0.000 30.425 2.796) 30.553 2.308 ( 0.000 28.290 3.846) 28.550 2.782 ( 0.000 -29.046 0.891) 29.060 2.856 ( 0.000 -22.404 -0.448) 22.408 3.177 ( 0.000 25.680 14.308) 29.397 3.565 ( 0.000 -10.485 10.323) 14.713 6.005 ( 0.000 8.162 5.189) 9.672 6.284 ( 0.000 -18.156 5.377) 18.935 7.036 ( 0.000 11.755 -15.402) 19.375 7.275 ( 0.000 -9.777 -17.325) 19.893 7.787 ( 0.000 6.868 -1.269) 6.984 7.919 ( 0.000 -5.189 4.905) 7.140 7.939 ( 0.000 2.578 3.415) 4.279 7.992 ( 0.000 -3.099 4.173) 5.198 8.655 ( 0.000 17.167 -6.141) 18.232 8.773 ( 0.000 10.767 -0.543) 10.781 9.003 ( 0.000 -9.296 -6.356) 11.262 9.027 ( 0.000 -10.748 10.601) 15.096 9.278 ( 0.000 -3.218 2.586) 4.129 9.420 ( 0.000 -10.570 15.376) 18.658 9.727 ( 0.000 6.685 -2.913) 7.292 9.811 ( 0.000 -1.256 -7.604) 7.707 10.385 ( 0.000 10.844 6.796) 12.797 10.632 ( 0.000 -12.002 9.843) 15.523 11.039 ( 0.000 5.298 -2.950) 6.063 11.151 ( 0.000 -3.922 -9.803) 10.558 11.845 ( 0.000 6.508 -1.802) 6.753 11.960 ( 0.000 -3.691 -1.688) 4.059 12.077 ( 0.000 6.885 25.319) 26.238 12.237 ( 0.000 -8.837 21.315) 23.074 12.918 ( 0.000 0.196 -10.503) 10.505 12.982 ( 0.000 -5.107 -9.047) 10.389 13.056 ( 0.000 4.621 -2.185) 5.111 13.135 ( 0.000 -3.066 -2.935) 4.244 13.275 ( 0.000 1.922 0.611) 2.017 13.328 ( 0.000 -2.751 -0.048) 2.752 13.854 ( 0.000 4.900 -0.076) 4.901 13.948 ( 0.000 -3.264 -1.437) 3.566 14.457 ( 0.000 11.165 3.642) 11.744 14.570 ( 0.000 5.295 -3.446) 6.317 14.629 ( 0.000 -0.080 -0.766) 0.770 14.719 ( 0.000 -12.999 1.275) 13.062 15.035 ( 0.000 8.785 5.974) 10.624 15.194 ( 0.000 -5.392 5.568) 7.751 15.213 ( 0.000 10.177 -9.321) 13.801 15.436 ( 0.000 -9.825 -9.380) 13.583 16.013 ( 0.000 5.006 -0.795) 5.069 16.051 ( 0.000 1.745 -14.367) 14.473 16.075 ( 0.000 -0.598 -14.242) 14.254 16.116 ( 0.000 -4.473 -0.603) 4.513 16.555 ( 0.000 6.013 4.284) 7.383 16.705 ( 0.000 -8.214 9.421) 12.499 24.591 ( 0.000 5.623 -1.153) 5.740 24.715 ( 0.000 -5.769 -0.896) 5.838 24.792 ( 0.000 1.411 3.312) 3.601 24.839 ( 0.000 -2.814 5.364) 6.057 26.126 ( 0.000 14.382 -10.085) 17.565 26.421 ( 0.000 -13.536 -4.398) 14.232 28.407 ( 0.000 1.566 0.248) 1.586 28.434 ( 0.000 -0.872 -0.202) 0.895 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.12 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -0.324 27.270 2.972) 27.434 2.371 ( 4.513 24.075 7.813) 25.710 2.720 ( -2.891 -20.705 -1.729) 20.978 2.966 ( 5.688 -24.014 6.268) 25.462 3.265 ( 9.504 22.853 10.170) 26.758 3.599 ( 4.491 -8.342 6.805) 11.665 6.012 ( 0.725 7.373 5.430) 9.185 6.279 ( -0.652 -17.639 5.633) 18.528 6.939 ( -8.982 9.719 -12.419) 18.148 7.151 ( -10.867 -9.262 -13.725) 19.805 7.785 ( -2.911 5.534 2.828) 6.862 7.874 ( 0.527 -0.626 -1.734) 1.918 8.009 ( 3.018 2.585 2.728) 4.820 8.075 ( 7.045 -3.113 4.045) 8.700 8.608 ( -4.839 15.142 -3.662) 16.313 8.757 ( 0.856 4.826 2.488) 5.497 8.944 ( -4.634 -7.020 -3.251) 9.018 9.069 ( 2.170 -13.304 2.510) 13.711 9.379 ( 10.610 3.291 5.260) 12.291 9.546 ( 11.178 -7.510 9.248) 16.337 9.763 ( 4.109 5.047 -3.657) 7.465 9.846 ( 3.573 -1.812 -9.265) 10.094 10.384 ( 0.134 10.220 7.418) 12.629 10.614 ( -1.646 -11.057 10.129) 15.085 11.019 ( -2.186 4.249 -1.963) 5.165 11.115 ( -3.731 -3.743 -8.852) 10.310 11.814 ( -2.802 5.996 1.888) 6.882 11.901 ( -3.512 -1.606 3.092) 4.947 12.185 ( 7.848 2.889 16.778) 18.747 12.283 ( 4.656 -7.191 18.296) 20.202 12.798 ( -13.327 3.159 -7.639) 15.683 12.875 ( -10.193 -3.870 -6.713) 12.804 12.993 ( -3.655 2.217 -2.473) 4.939 13.078 ( 1.668 -5.229 -2.467) 6.017 13.423 ( 8.683 0.656 -1.688) 8.869 13.439 ( 8.229 -0.675 -1.738) 8.438 13.789 ( -6.221 5.339 2.472) 8.563 13.884 ( -6.127 -3.123 0.594) 6.902 14.429 ( -0.883 9.615 0.131) 9.656 14.599 ( -3.922 -4.360 -2.643) 6.432 14.680 ( 7.612 4.745 -1.809) 9.150 14.759 ( 4.485 -2.756 2.920) 6.020 14.989 ( -12.316 5.290 -0.893) 13.434 15.029 ( -0.731 0.865 4.523) 4.663 15.309 ( 0.940 0.141 -3.835) 3.951 15.371 ( -2.862 -5.684 -4.327) 7.696 15.987 ( -1.255 3.500 -4.691) 5.986 16.045 ( -0.737 -1.414 -9.389) 9.523 16.109 ( 2.397 1.693 -8.225) 8.732 16.165 ( 2.359 -2.892 -5.248) 6.440 16.620 ( 6.656 5.628 2.031) 8.950 16.767 ( 6.227 -8.164 5.237) 11.526 24.568 ( -2.060 5.080 -0.084) 5.482 24.677 ( -3.282 -4.653 0.945) 5.772 24.788 ( -0.860 0.522 2.453) 2.651 24.827 ( -1.428 -2.656 4.967) 5.811 26.167 ( 4.097 13.139 -9.998) 17.011 26.436 ( 1.432 -12.196 -4.755) 13.168 28.405 ( -0.169 1.414 0.082) 1.426 28.429 ( -0.455 -0.757 -0.423) 0.979 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.25 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 5.749 20.707 4.958) 22.055 2.452 ( 4.083 13.538 10.508) 17.617 2.670 ( -2.571 -8.156 1.894) 8.759 2.994 ( -2.920 -19.463 12.923) 23.544 3.516 ( 15.584 17.023 2.633) 23.229 3.753 ( 10.621 -5.547 0.363) 11.988 6.032 ( 1.364 4.822 6.094) 7.890 6.255 ( -1.999 -15.807 6.305) 17.135 6.753 ( -9.309 6.021 -7.991) 13.666 6.925 ( -12.006 -9.089 -9.375) 17.738 7.729 ( -2.288 7.317 3.064) 8.256 7.853 ( -2.565 -1.967 -0.423) 3.260 8.065 ( 1.854 7.195 0.674) 7.460 8.176 ( 2.705 -2.279 5.235) 6.319 8.527 ( -2.019 12.718 -2.126) 13.051 8.795 ( -0.624 -10.592 -0.655) 10.631 8.889 ( 1.988 3.706 0.190) 4.210 9.092 ( 0.664 -13.313 -0.051) 13.330 9.635 ( 14.201 8.348 4.579) 17.097 9.740 ( 7.113 4.708 -2.361) 8.851 9.924 ( 13.015 -4.414 -2.563) 13.980 9.944 ( 7.814 -3.091 -12.684) 15.214 10.404 ( 2.228 8.140 8.635) 12.075 10.579 ( -1.828 -8.038 9.570) 12.630 10.954 ( -4.636 1.690 1.706) 5.221 11.012 ( -6.985 -3.087 -6.419) 9.976 11.757 ( -2.949 4.065 5.443) 7.406 11.838 ( -3.486 -3.159 4.279) 6.360 12.314 ( 4.828 2.199 10.171) 11.472 12.395 ( 5.615 -5.830 11.124) 13.758 12.526 ( -13.701 4.233 -5.589) 15.390 12.635 ( -11.736 -5.276 -2.982) 13.208 13.000 ( 2.968 4.803 -2.683) 6.251 13.134 ( 4.220 -6.773 -0.187) 7.982 13.526 ( -0.219 3.582 -1.822) 4.025 13.577 ( 5.536 -1.058 -2.605) 6.209 13.675 ( -2.804 2.963 5.672) 6.987 13.743 ( -7.893 -2.664 3.856) 9.180 14.411 ( -2.936 4.325 -2.011) 5.601 14.462 ( -8.982 -0.649 -1.579) 9.143 14.741 ( -6.187 10.199 0.795) 11.956 14.804 ( 0.283 3.519 0.045) 3.531 14.892 ( 6.598 2.311 -1.296) 7.110 15.029 ( 1.554 -8.520 0.580) 8.680 15.292 ( 0.476 2.374 -2.025) 3.156 15.373 ( 0.565 -4.670 1.237) 4.864 15.975 ( 0.083 2.873 -5.517) 6.221 16.035 ( -0.370 -2.277 -8.148) 8.469 16.126 ( -0.582 1.495 -5.323) 5.560 16.171 ( -1.580 -2.162 -4.048) 4.854 16.781 ( 9.343 4.864 -2.073) 10.735 16.909 ( 7.554 -7.032 -1.851) 10.485 24.531 ( -1.442 3.745 1.996) 4.482 24.613 ( -3.003 -3.498 3.546) 5.816 24.754 ( -2.599 -0.011 1.846) 3.188 24.784 ( -2.950 -2.423 4.240) 5.706 26.265 ( 5.793 9.960 -9.520) 14.946 26.465 ( 1.325 -8.695 -5.523) 10.385 28.402 ( -0.179 1.026 -0.337) 1.094 28.418 ( -0.593 -0.515 -0.867) 1.170 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.38 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 8.512 11.443 7.791) 16.251 2.511 ( 0.770 -0.733 6.828) 6.910 2.642 ( 1.104 6.559 9.417) 11.529 2.885 ( -7.607 -9.985 13.465) 18.408 3.799 ( 12.838 10.431 -1.470) 16.606 3.932 ( 6.563 -2.223 -2.294) 7.299 6.067 ( 2.491 0.041 6.922) 7.356 6.201 ( -3.550 -12.209 7.080) 14.553 6.620 ( -4.088 1.765 -5.414) 7.009 6.722 ( -8.781 -7.123 -6.387) 12.986 7.707 ( 0.158 6.218 2.221) 6.604 7.793 ( -3.445 -0.260 0.499) 3.491 8.086 ( 0.974 7.703 2.957) 8.309 8.168 ( -2.603 1.757 6.432) 7.158 8.552 ( 3.768 7.118 -4.367) 9.162 8.726 ( -4.628 -5.764 -3.921) 8.368 8.989 ( 5.688 -2.803 2.671) 6.881 9.097 ( -0.323 -10.837 1.435) 10.936 9.819 ( 4.553 8.721 -4.320) 10.744 9.840 ( 3.746 7.444 -6.699) 10.692 10.138 ( 13.581 0.324 -9.572) 16.619 10.232 ( 16.123 -7.111 -7.249) 19.055 10.458 ( 1.972 4.199 6.337) 7.854 10.542 ( -2.137 -3.392 4.569) 6.078 10.850 ( -6.152 -0.361 8.360) 10.386 10.865 ( -7.550 -1.714 0.723) 7.776 11.709 ( -1.856 0.277 6.527) 6.791 11.764 ( -4.032 -4.588 6.557) 8.961 12.292 ( -8.384 1.938 -0.332) 8.611 12.297 ( -6.513 1.067 2.736) 7.145 12.482 ( 3.335 -1.338 -0.635) 3.649 12.542 ( 0.713 -6.029 -1.915) 6.366 13.098 ( 7.167 6.272 2.933) 9.965 13.237 ( 6.316 -6.045 3.580) 9.447 13.422 ( -7.431 6.136 4.401) 10.594 13.550 ( -8.027 -5.142 3.586) 10.185 13.682 ( 2.166 1.272 -0.779) 2.630 13.700 ( 1.652 -0.539 0.760) 1.897 14.278 ( -6.891 2.558 0.001) 7.351 14.319 ( -7.314 -1.572 0.143) 7.483 14.685 ( 0.811 13.420 -1.181) 13.496 14.782 ( -2.518 5.689 -1.878) 6.498 15.017 ( 5.397 -0.495 -2.074) 5.803 15.075 ( 2.163 -6.493 -0.093) 6.845 15.325 ( 2.293 0.903 0.869) 2.613 15.377 ( -0.175 -3.545 2.478) 4.329 15.991 ( 1.626 1.667 -5.778) 6.230 16.033 ( 0.198 -1.852 -8.005) 8.218 16.099 ( -1.870 0.286 -4.311) 4.707 16.121 ( -3.173 -1.436 -3.218) 4.742 16.943 ( 7.043 2.920 -4.929) 9.079 17.019 ( 3.487 -4.106 -5.416) 7.638 24.520 ( 0.375 2.118 4.114) 4.642 24.569 ( -1.737 -1.973 5.825) 6.390 24.703 ( -2.288 -0.614 1.186) 2.649 24.724 ( -2.970 -2.254 3.156) 4.885 26.371 ( 5.006 5.704 -8.567) 11.445 26.476 ( -0.364 -4.057 -6.409) 7.594 28.400 ( -0.022 0.550 -0.814) 0.982 28.408 ( -0.462 -0.235 -1.164) 1.274 ======================= Grid point 94 (40/120) ======================= q-point: (-0.50 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -5.796 1.421 7.929) 9.923 2.456 ( 5.796 1.421 7.929) 9.923 2.735 ( -7.461 2.375 11.685) 14.066 2.735 ( 7.461 2.375 11.685) 14.066 3.963 ( -3.711 3.516 -2.715) 5.788 3.963 ( 3.711 3.516 -2.715) 5.788 6.128 ( -3.813 -6.457 7.377) 10.520 6.128 ( 3.813 -6.457 7.377) 10.520 6.608 ( -2.889 -2.989 -4.989) 6.494 6.608 ( 2.889 -2.989 -4.989) 6.494 7.734 ( -2.500 2.886 1.297) 4.033 7.734 ( 2.500 2.886 1.297) 4.033 8.116 ( -2.302 5.780 5.222) 8.123 8.116 ( 2.302 5.780 5.222) 8.123 8.636 ( -4.739 0.479 -4.859) 6.804 8.636 ( 4.739 0.479 -4.859) 6.804 9.071 ( -2.731 -7.601 2.845) 8.563 9.071 ( 2.731 -7.601 2.845) 8.563 9.865 ( -0.708 7.717 -8.007) 11.143 9.865 ( 0.708 7.717 -8.007) 11.143 10.377 ( -9.786 2.520 -5.834) 11.668 10.377 ( 9.786 2.520 -5.834) 11.668 10.480 ( -7.976 -5.824 -6.882) 12.038 10.480 ( 7.976 -5.824 -6.882) 12.038 10.773 ( -1.073 0.761 14.861) 14.920 10.773 ( 1.073 0.761 14.861) 14.920 11.704 ( -1.684 -3.578 7.125) 8.149 11.704 ( 1.684 -3.578 7.125) 8.149 12.214 ( -0.639 0.872 1.423) 1.787 12.214 ( 0.639 0.872 1.423) 1.787 12.537 ( -1.805 -2.815 -4.193) 5.363 12.537 ( 1.805 -2.815 -4.193) 5.363 13.249 ( -7.623 5.292 6.818) 11.515 13.249 ( 7.623 5.292 6.818) 11.515 13.397 ( -7.231 -4.441 4.197) 9.467 13.397 ( 7.231 -4.441 4.197) 9.467 13.709 ( -0.595 0.142 -1.241) 1.384 13.709 ( 0.595 0.142 -1.241) 1.384 14.224 ( -1.547 0.642 1.264) 2.098 14.224 ( 1.547 0.642 1.264) 2.098 14.727 ( -2.930 9.730 -2.475) 10.459 14.727 ( 2.930 9.730 -2.475) 10.459 15.084 ( -1.527 -3.524 -1.066) 3.986 15.084 ( 1.527 -3.524 -1.066) 3.986 15.362 ( -1.448 -1.260 2.162) 2.891 15.362 ( 1.448 -1.260 2.162) 2.891 16.029 ( -1.542 -0.102 -7.141) 7.306 16.029 ( 1.542 -0.102 -7.141) 7.306 16.076 ( -0.545 -0.899 -3.370) 3.530 16.076 ( 0.545 -0.899 -3.370) 3.530 17.032 ( -2.112 -0.374 -6.092) 6.458 17.032 ( 2.112 -0.374 -6.092) 6.458 24.540 ( -1.434 0.251 6.006) 6.180 24.540 ( 1.434 0.251 6.006) 6.180 24.686 ( -0.726 -1.724 1.605) 2.465 24.686 ( 0.726 -1.724 1.605) 2.465 26.447 ( -2.816 0.905 -7.437) 8.004 26.447 ( 2.816 0.905 -7.437) 8.004 28.402 ( -0.221 0.112 -1.137) 1.164 28.402 ( 0.221 0.112 -1.137) 1.164 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.000 0.000 24.067) 24.067 1.499 ( 0.000 0.000 34.373) 34.373 2.192 ( 0.000 0.000 44.502) 44.502 3.400 ( 0.000 0.000 0.987) 0.987 3.703 ( 0.000 0.000 0.555) 0.555 3.967 ( 0.000 0.000 -2.651) 2.651 6.005 ( 0.000 0.000 10.419) 10.419 6.274 ( 0.000 0.000 -10.556) 10.556 7.034 ( 0.000 0.000 -17.820) 17.820 7.139 ( 0.000 0.000 -22.573) 22.573 7.445 ( 0.000 0.000 5.042) 5.042 7.851 ( 0.000 0.000 2.295) 2.295 7.992 ( 0.000 0.000 -9.256) 9.256 8.294 ( 0.000 0.000 -2.663) 2.663 8.505 ( 0.000 0.000 19.295) 19.295 8.723 ( 0.000 0.000 5.321) 5.321 8.978 ( 0.000 0.000 12.345) 12.345 9.013 ( 0.000 0.000 -19.564) 19.564 9.274 ( 0.000 0.000 7.207) 7.207 9.394 ( 0.000 0.000 -11.688) 11.688 9.819 ( 0.000 0.000 -2.994) 2.994 10.268 ( 0.000 0.000 24.913) 24.913 10.332 ( 0.000 0.000 2.576) 2.576 10.971 ( 0.000 0.000 -5.041) 5.041 11.435 ( 0.000 0.000 -3.344) 3.344 11.490 ( 0.000 0.000 13.783) 13.783 11.603 ( 0.000 0.000 28.932) 28.932 11.954 ( 0.000 0.000 -1.080) 1.080 12.171 ( 0.000 0.000 25.036) 25.036 12.746 ( 0.000 0.000 0.003) 0.003 12.865 ( 0.000 0.000 -20.462) 20.462 13.023 ( 0.000 0.000 -12.134) 12.134 13.121 ( 0.000 0.000 -4.482) 4.482 13.288 ( 0.000 0.000 -8.097) 8.097 13.355 ( 0.000 0.000 0.138) 0.138 13.366 ( 0.000 0.000 4.663) 4.663 13.501 ( 0.000 0.000 0.351) 0.351 13.611 ( 0.000 0.000 3.612) 3.612 13.621 ( 0.000 0.000 0.568) 0.568 14.106 ( 0.000 0.000 -2.753) 2.753 14.220 ( 0.000 0.000 -1.904) 1.904 14.491 ( 0.000 0.000 5.764) 5.764 14.925 ( 0.000 0.000 9.886) 9.886 14.994 ( 0.000 0.000 1.724) 1.724 15.211 ( 0.000 0.000 -6.098) 6.098 15.620 ( 0.000 0.000 -15.670) 15.670 15.630 ( 0.000 0.000 -9.694) 9.694 15.662 ( 0.000 0.000 -8.704) 8.704 16.082 ( 0.000 0.000 -10.102) 10.102 16.285 ( 0.000 0.000 2.981) 2.981 16.326 ( 0.000 0.000 2.573) 2.573 17.822 ( 0.000 0.000 2.227) 2.227 24.340 ( 0.000 0.000 -2.408) 2.408 24.480 ( 0.000 0.000 -2.580) 2.580 24.838 ( 0.000 0.000 -1.109) 1.109 24.926 ( 0.000 0.000 -0.813) 0.813 25.179 ( 0.000 0.000 12.507) 12.507 27.202 ( 0.000 0.000 -11.867) 11.867 28.400 ( 0.000 0.000 3.128) 3.128 28.447 ( 0.000 0.000 0.556) 0.556 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 23.875 0.000 20.438) 31.428 1.586 ( 8.988 0.000 30.615) 31.907 2.289 ( 11.886 0.000 39.145) 40.909 3.336 ( -6.638 0.000 1.484) 6.802 3.598 ( -9.155 0.000 0.209) 9.157 4.060 ( 6.951 0.000 -0.400) 6.963 6.022 ( 1.871 0.000 2.280) 2.949 6.361 ( 8.849 0.000 -3.271) 9.434 7.029 ( -0.197 0.000 -15.559) 15.560 7.041 ( -9.390 0.000 -23.053) 24.892 7.456 ( 0.982 0.000 5.078) 5.172 7.839 ( -11.293 0.000 -9.951) 15.051 7.883 ( 2.807 0.000 4.023) 4.906 8.435 ( 10.158 0.000 -2.116) 10.376 8.472 ( -3.216 0.000 18.570) 18.847 8.744 ( 2.082 0.000 6.306) 6.641 8.967 ( -1.124 0.000 9.878) 9.942 9.060 ( 4.140 0.000 -17.643) 18.122 9.293 ( 4.064 0.000 5.087) 6.511 9.440 ( 2.103 0.000 -5.789) 6.159 9.828 ( 2.281 0.000 -1.759) 2.880 10.233 ( -2.855 0.000 22.406) 22.587 10.310 ( -1.003 0.000 2.515) 2.708 10.977 ( -0.303 0.000 -5.011) 5.021 11.407 ( -7.432 0.000 13.008) 14.981 11.417 ( -0.321 0.000 -3.323) 3.339 11.579 ( -3.697 0.000 25.433) 25.701 12.003 ( 4.925 0.000 0.573) 4.958 12.274 ( 9.191 0.000 23.515) 25.248 12.568 ( -11.876 0.000 -8.496) 14.602 12.921 ( -9.510 0.000 -13.087) 16.177 12.981 ( 3.242 0.000 -7.651) 8.310 13.081 ( -3.310 0.000 -4.320) 5.443 13.279 ( 0.645 0.000 -0.430) 0.776 13.315 ( 2.209 0.000 -7.085) 7.422 13.414 ( -3.775 0.000 4.470) 5.850 13.516 ( 7.011 0.000 2.815) 7.555 13.604 ( -0.659 0.000 -0.079) 0.663 13.748 ( 7.580 0.000 3.693) 8.432 14.114 ( 0.858 0.000 -4.561) 4.641 14.342 ( 9.260 0.000 -5.786) 10.919 14.471 ( -3.252 0.000 2.795) 4.288 14.826 ( -6.366 0.000 8.204) 10.384 15.046 ( 5.354 0.000 -0.024) 5.354 15.270 ( 3.471 0.000 -3.767) 5.123 15.541 ( -4.061 0.000 -7.208) 8.273 15.686 ( 2.553 0.000 -8.810) 9.172 15.686 ( 2.605 0.000 -16.365) 16.571 16.071 ( -1.163 0.000 -10.040) 10.107 16.128 ( -6.969 0.000 -3.210) 7.673 16.551 ( 13.157 0.000 5.591) 14.296 17.719 ( -9.381 0.000 4.577) 10.438 24.491 ( 1.125 0.000 -2.518) 2.758 24.501 ( 12.144 0.000 -8.185) 14.645 24.821 ( -1.731 0.000 -1.158) 2.082 25.001 ( 8.395 0.000 -1.428) 8.516 25.164 ( -0.543 0.000 11.680) 11.693 27.084 ( -11.227 0.000 -8.266) 13.942 28.401 ( 0.112 0.000 3.271) 3.272 28.440 ( -0.507 0.000 0.342) 0.611 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 20.610 0.000 20.028) 28.738 1.826 ( 15.712 0.000 22.435) 27.390 2.669 ( 25.515 0.000 23.879) 34.946 3.154 ( -12.390 0.000 2.867) 12.717 3.390 ( -11.563 0.000 3.413) 12.056 4.156 ( 1.960 0.000 2.824) 3.438 6.079 ( 4.182 0.000 -8.659) 9.616 6.580 ( 12.474 0.000 4.881) 13.395 6.831 ( -10.808 0.000 -23.207) 25.601 7.045 ( 2.270 0.000 -11.618) 11.837 7.462 ( -1.109 0.000 5.009) 5.131 7.628 ( -10.726 0.000 -11.007) 15.368 7.946 ( 3.939 0.000 8.156) 9.057 8.393 ( -4.807 0.000 17.606) 18.250 8.620 ( 9.357 0.000 0.192) 9.359 8.795 ( 3.249 0.000 7.242) 7.937 8.968 ( 1.935 0.000 2.798) 3.402 9.121 ( 0.975 0.000 -9.519) 9.569 9.359 ( -0.312 0.000 13.846) 13.849 9.435 ( -2.290 0.000 -8.957) 9.245 9.973 ( 14.118 0.000 -0.620) 14.131 10.213 ( 2.200 0.000 13.516) 13.693 10.344 ( 5.359 0.000 2.015) 5.726 10.924 ( -5.612 0.000 -5.357) 7.759 11.230 ( -11.022 0.000 10.204) 15.021 11.451 ( -9.829 0.000 19.270) 21.632 11.478 ( 7.049 0.000 -3.827) 8.021 12.116 ( 5.879 0.000 1.229) 6.006 12.359 ( -9.219 0.000 -7.686) 12.003 12.401 ( -0.918 0.000 11.779) 11.815 12.773 ( -1.028 0.000 -3.906) 4.039 12.886 ( -7.205 0.000 1.144) 7.295 13.090 ( -0.047 0.000 -5.438) 5.439 13.331 ( -1.757 0.000 -3.597) 4.003 13.342 ( 4.841 0.000 -3.646) 6.060 13.406 ( 3.348 0.000 4.520) 5.625 13.601 ( 0.853 0.000 0.044) 0.854 13.603 ( 1.930 0.000 2.437) 3.108 13.841 ( 1.900 0.000 7.950) 8.174 14.147 ( 2.841 0.000 -4.197) 5.068 14.314 ( -12.746 0.000 1.849) 12.880 14.447 ( 0.876 0.000 -4.462) 4.547 14.804 ( 4.243 0.000 3.337) 5.398 15.177 ( 7.544 0.000 -3.815) 8.454 15.292 ( -1.353 0.000 -3.355) 3.618 15.496 ( -0.772 0.000 -4.420) 4.487 15.735 ( 2.727 0.000 -17.409) 17.621 15.756 ( 4.546 0.000 -8.696) 9.812 16.022 ( -4.597 0.000 -8.694) 9.835 16.039 ( -2.150 0.000 -9.818) 10.051 16.788 ( 11.586 0.000 6.630) 13.348 17.525 ( -10.118 0.000 5.890) 11.708 24.523 ( 2.195 0.000 -2.344) 3.211 24.660 ( 4.869 0.000 -5.014) 6.989 24.775 ( -3.052 0.000 -1.300) 3.317 25.046 ( -4.325 0.000 8.024) 9.116 25.372 ( 20.954 0.000 -5.990) 21.794 26.824 ( -15.296 0.000 -4.677) 15.995 28.406 ( 0.372 0.000 2.984) 3.007 28.433 ( -0.248 0.000 0.182) 0.307 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 19.074 0.000 14.541) 23.985 2.182 ( 20.367 0.000 16.523) 26.226 2.874 ( -16.745 0.000 5.163) 17.522 2.905 ( -10.229 0.000 6.307) 12.017 3.408 ( 20.682 0.000 14.920) 25.502 4.102 ( -8.229 0.000 6.226) 10.319 6.185 ( 7.013 0.000 -15.280) 16.812 6.553 ( -11.357 0.000 -18.818) 21.980 6.910 ( 14.801 0.000 4.135) 15.368 7.121 ( 5.713 0.000 -9.270) 10.889 7.384 ( -7.498 0.000 5.374) 9.225 7.431 ( -9.942 0.000 -10.180) 14.229 8.042 ( 6.269 0.000 12.479) 13.966 8.293 ( -5.795 0.000 16.600) 17.583 8.799 ( 9.662 0.000 3.241) 10.192 8.868 ( 4.491 0.000 7.264) 8.540 9.027 ( 2.856 0.000 -1.021) 3.033 9.078 ( -4.967 0.000 0.998) 5.066 9.278 ( -5.802 0.000 10.503) 11.999 9.361 ( -5.267 0.000 -8.225) 9.767 10.327 ( 20.892 0.000 0.414) 20.896 10.336 ( 10.094 0.000 2.246) 10.341 10.517 ( 12.470 0.000 4.532) 13.268 10.772 ( -10.008 0.000 -5.390) 11.367 10.996 ( -13.315 0.000 7.316) 15.193 11.203 ( -16.167 0.000 12.863) 20.660 11.668 ( 12.404 0.000 -4.594) 13.228 12.177 ( 0.342 0.000 -3.824) 3.840 12.215 ( -14.445 0.000 -3.585) 14.883 12.247 ( -2.894 0.000 -0.670) 2.970 12.818 ( 1.167 0.000 1.091) 1.597 12.904 ( 10.626 0.000 7.220) 12.847 13.039 ( -5.119 0.000 -2.520) 5.706 13.253 ( -6.267 0.000 0.170) 6.269 13.437 ( 4.887 0.000 -3.734) 6.150 13.514 ( 7.497 0.000 5.857) 9.514 13.593 ( -2.590 0.000 -0.061) 2.591 13.643 ( 3.146 0.000 -0.017) 3.146 13.831 ( -2.198 0.000 11.310) 11.522 14.048 ( -13.936 0.000 3.628) 14.400 14.221 ( 4.678 0.000 -2.066) 5.114 14.405 ( -4.144 0.000 -1.133) 4.296 14.936 ( 8.451 0.000 -1.881) 8.658 15.225 ( -5.399 0.000 -3.858) 6.636 15.312 ( 6.549 0.000 -4.145) 7.750 15.481 ( -1.651 0.000 -3.275) 3.668 15.793 ( 3.420 0.000 -16.883) 17.226 15.845 ( 4.602 0.000 -8.646) 9.794 15.941 ( -4.106 0.000 -12.445) 13.105 15.990 ( -2.990 0.000 -9.417) 9.880 16.993 ( 10.176 0.000 6.478) 12.062 17.345 ( -8.925 0.000 5.377) 10.420 24.574 ( 3.106 0.000 -2.089) 3.743 24.710 ( -3.711 0.000 -1.523) 4.012 24.736 ( 4.030 0.000 0.663) 4.084 24.940 ( -6.196 0.000 7.446) 9.687 25.788 ( 21.594 0.000 -9.154) 23.455 26.517 ( -16.981 0.000 -5.088) 17.727 28.414 ( 0.506 0.000 2.190) 2.247 28.429 ( -0.223 0.000 0.612) 0.651 ======================= Grid point 130 (45/120) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -19.199 0.000 8.831) 21.132 2.530 ( 19.199 0.000 8.831) 21.132 2.574 ( -20.398 0.000 10.406) 22.898 2.574 ( 20.398 0.000 10.406) 22.898 3.835 ( -19.651 0.000 10.512) 22.286 3.835 ( 19.651 0.000 10.512) 22.286 6.346 ( -9.897 0.000 -18.798) 21.244 6.346 ( 9.897 0.000 -18.798) 21.244 7.184 ( -13.125 0.000 6.092) 14.470 7.184 ( 13.125 0.000 6.092) 14.470 7.256 ( -8.339 0.000 -9.060) 12.313 7.256 ( 8.339 0.000 -9.060) 12.313 8.172 ( -6.911 0.000 15.159) 16.660 8.172 ( 6.911 0.000 15.159) 16.660 8.968 ( -5.906 0.000 5.993) 8.414 8.968 ( 5.906 0.000 5.993) 8.414 8.978 ( -8.163 0.000 5.122) 9.637 8.978 ( 8.163 0.000 5.122) 9.637 9.260 ( -4.238 0.000 -3.924) 5.775 9.260 ( 4.238 0.000 -3.924) 5.775 10.557 ( -12.200 0.000 -3.629) 12.728 10.557 ( 12.200 0.000 -3.629) 12.728 10.670 ( -11.549 0.000 3.078) 11.952 10.670 ( 11.549 0.000 3.078) 11.952 10.873 ( -14.486 0.000 8.589) 16.841 10.873 ( 14.486 0.000 8.589) 16.841 11.931 ( -14.839 0.000 -5.146) 15.706 11.931 ( 14.839 0.000 -5.146) 15.706 12.196 ( -2.365 0.000 -1.798) 2.971 12.196 ( 2.365 0.000 -1.798) 2.971 12.913 ( -7.257 0.000 -0.435) 7.270 12.913 ( 7.257 0.000 -0.435) 7.270 13.101 ( -9.517 0.000 3.727) 10.221 13.101 ( 9.517 0.000 3.727) 10.221 13.524 ( -4.264 0.000 -2.301) 4.845 13.524 ( 4.264 0.000 -2.301) 4.845 13.653 ( -4.818 0.000 6.199) 7.851 13.653 ( 4.818 0.000 6.199) 7.851 13.837 ( -6.231 0.000 6.001) 8.651 13.837 ( 6.231 0.000 6.001) 8.651 14.315 ( -5.037 0.000 -0.618) 5.075 14.315 ( 5.037 0.000 -0.618) 5.075 15.096 ( -7.961 0.000 -3.774) 8.810 15.096 ( 7.961 0.000 -3.774) 8.810 15.420 ( -4.645 0.000 -3.209) 5.646 15.420 ( 4.645 0.000 -3.209) 5.646 15.864 ( -3.998 0.000 -15.108) 15.628 15.864 ( 3.998 0.000 -15.108) 15.628 15.926 ( -3.832 0.000 -8.950) 9.736 15.926 ( 3.832 0.000 -8.950) 9.736 17.176 ( -9.136 0.000 5.599) 10.715 17.176 ( 9.136 0.000 5.599) 10.715 24.639 ( -3.681 0.000 -1.799) 4.097 24.639 ( 3.681 0.000 -1.799) 4.097 24.826 ( -5.498 0.000 4.743) 7.261 24.826 ( 5.498 0.000 4.743) 7.261 26.175 ( -19.158 0.000 -7.389) 20.533 26.175 ( 19.158 0.000 -7.389) 20.533 28.423 ( -0.397 0.000 1.346) 1.403 28.423 ( 0.397 0.000 1.346) 1.403 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.000 15.173 18.982) 24.301 1.632 ( 0.000 12.043 29.994) 32.321 2.453 ( 0.000 22.204 37.213) 43.334 3.363 ( 0.000 -4.318 -1.395) 4.538 3.744 ( 0.000 4.022 4.059) 5.714 3.793 ( 0.000 -15.330 -2.000) 15.460 6.016 ( 0.000 0.841 9.513) 9.550 6.341 ( 0.000 5.864 -11.649) 13.042 7.112 ( 0.000 -2.578 -21.605) 21.758 7.140 ( 0.000 8.929 -15.503) 17.891 7.469 ( 0.000 -25.299 3.806) 25.583 7.597 ( 0.000 12.864 3.371) 13.298 7.993 ( 0.000 0.097 -9.027) 9.027 8.327 ( 0.000 -2.463 15.660) 15.853 8.583 ( 0.000 -11.332 4.276) 12.111 8.608 ( 0.000 5.811 -6.374) 8.625 8.958 ( 0.000 -1.294 7.699) 7.807 9.118 ( 0.000 9.847 -15.417) 18.294 9.256 ( 0.000 0.154 9.899) 9.901 9.471 ( 0.000 6.224 -6.863) 9.265 9.917 ( 0.000 8.536 1.050) 8.601 10.096 ( 0.000 -16.566 4.299) 17.115 10.302 ( 0.000 -1.928 23.049) 23.129 10.991 ( 0.000 1.604 -4.767) 5.029 11.322 ( 0.000 -8.460 6.791) 10.848 11.472 ( 0.000 -9.546 24.770) 26.546 11.575 ( 0.000 5.496 3.038) 6.279 11.957 ( 0.000 0.229 -1.918) 1.931 12.299 ( 0.000 9.012 26.849) 28.321 12.770 ( 0.000 1.617 -0.260) 1.638 12.780 ( 0.000 -5.330 -18.838) 19.578 12.963 ( 0.000 -7.418 1.045) 7.491 12.997 ( 0.000 -3.987 -10.830) 11.541 13.253 ( 0.000 -5.035 1.500) 5.253 13.331 ( 0.000 -1.774 4.482) 4.821 13.496 ( 0.000 -3.515 1.887) 3.989 13.502 ( 0.000 10.050 -11.048) 14.935 13.713 ( 0.000 7.833 2.487) 8.218 13.867 ( 0.000 18.752 -11.647) 22.074 14.159 ( 0.000 5.258 -1.145) 5.381 14.466 ( 0.000 18.128 -4.427) 18.661 14.546 ( 0.000 5.297 3.731) 6.479 14.950 ( 0.000 -3.690 -0.063) 3.691 15.006 ( 0.000 7.434 8.509) 11.299 15.154 ( 0.000 -5.168 -4.929) 7.142 15.548 ( 0.000 -5.358 -10.983) 12.220 15.642 ( 0.000 1.929 -15.323) 15.444 15.736 ( 0.000 4.456 -7.173) 8.445 16.033 ( 0.000 -4.560 -7.803) 9.038 16.258 ( 0.000 -2.486 1.836) 3.090 16.354 ( 0.000 2.739 0.472) 2.780 17.598 ( 0.000 -17.401 8.257) 19.261 24.367 ( 0.000 2.513 -2.342) 3.435 24.683 ( 0.000 9.708 -5.718) 11.267 24.896 ( 0.000 -2.812 -0.903) 2.953 24.967 ( 0.000 15.903 -5.816) 16.933 25.157 ( 0.000 -1.985 11.858) 12.023 27.027 ( 0.000 -14.407 -7.912) 16.436 28.394 ( 0.000 -0.367 2.207) 2.237 28.445 ( 0.000 -0.187 0.386) 0.429 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 20.414 11.014 19.081) 30.035 1.710 ( 8.435 11.718 26.312) 30.013 2.540 ( 9.891 20.951 32.506) 39.917 3.277 ( -7.683 -5.926 -0.907) 9.745 3.658 ( -7.402 5.386 3.525) 9.810 3.909 ( 8.404 -13.356 0.450) 15.787 6.044 ( 2.816 1.347 4.829) 5.750 6.377 ( 3.919 2.399 -7.472) 8.772 7.001 ( -8.556 -1.611 -19.652) 21.494 7.186 ( 2.319 10.903 -15.763) 19.307 7.414 ( -5.619 -19.355 3.729) 20.496 7.632 ( 3.638 6.287 3.217) 7.944 7.938 ( -4.660 -0.235 -7.338) 8.696 8.314 ( -1.737 -3.499 16.212) 16.676 8.586 ( 1.906 -8.821 3.544) 9.695 8.709 ( 7.799 4.859 -4.762) 10.350 8.968 ( 0.915 -0.043 5.933) 6.003 9.139 ( 1.606 8.248 -13.063) 15.532 9.290 ( 4.325 0.655 8.210) 9.302 9.497 ( 1.560 4.984 -3.864) 6.497 9.938 ( 2.787 9.093 1.643) 9.651 10.091 ( 0.344 -15.612 1.904) 15.731 10.269 ( -2.571 -1.035 21.209) 21.389 10.991 ( -0.710 0.950 -4.711) 4.858 11.248 ( -6.353 -9.221 7.912) 13.711 11.488 ( -0.503 -5.907 20.986) 21.807 11.553 ( -0.996 5.347 4.651) 7.156 11.953 ( 0.853 -2.383 -1.247) 2.822 12.392 ( 7.856 7.796 23.905) 26.343 12.545 ( -13.101 -1.321 -10.870) 17.075 12.872 ( -0.766 -3.840 -5.065) 6.402 12.927 ( -2.360 -7.590 -5.691) 9.776 12.988 ( -4.894 -2.177 -3.504) 6.401 13.192 ( 2.453 -3.298 0.812) 4.190 13.409 ( 1.071 -1.400 0.086) 1.765 13.471 ( 0.428 0.104 2.432) 2.471 13.521 ( 1.909 9.215 -6.802) 11.612 13.756 ( 3.571 2.494 3.343) 5.491 13.859 ( -0.391 16.398 -5.650) 17.349 14.224 ( 4.866 7.892 -3.712) 9.987 14.499 ( -1.834 10.211 -3.070) 10.819 14.523 ( 0.243 7.116 -1.722) 7.325 14.867 ( -7.872 3.222 6.919) 10.964 15.011 ( 6.152 -2.536 -2.221) 7.015 15.244 ( 4.073 -1.904 -1.770) 4.832 15.512 ( -2.315 -3.011 -7.471) 8.381 15.663 ( 1.940 0.485 -15.262) 15.392 15.757 ( 2.101 4.195 -9.144) 10.277 16.012 ( -1.978 -4.548 -8.284) 9.655 16.156 ( -4.979 1.518 -4.172) 6.671 16.534 ( 12.111 -1.174 3.822) 12.754 17.533 ( -6.095 -14.887 7.865) 17.906 24.408 ( 3.374 -0.131 -2.070) 3.961 24.697 ( 0.874 6.019 -4.603) 7.627 24.860 ( -2.435 0.927 -0.832) 2.735 25.080 ( 5.298 7.651 -1.134) 9.375 25.164 ( 5.947 3.738 3.752) 7.964 26.944 ( -8.140 -11.844 -6.396) 15.731 28.395 ( 0.182 -0.388 2.194) 2.236 28.436 ( -0.754 -0.312 0.260) 0.856 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 18.638 6.589 21.082) 28.901 1.956 ( 16.798 11.869 18.991) 27.995 2.830 ( 17.301 13.415 18.464) 28.640 3.114 ( -7.269 -3.202 3.204) 8.564 3.468 ( -11.879 6.462 5.690) 14.671 4.044 ( 4.519 -9.833 2.559) 11.120 6.116 ( 4.736 2.597 -4.703) 7.162 6.490 ( 7.856 -5.530 -0.039) 9.607 6.808 ( -11.310 -0.267 -20.116) 23.079 7.246 ( 4.287 13.684 -9.930) 17.443 7.277 ( -8.258 -16.611 1.658) 18.624 7.693 ( 0.342 7.099 -1.503) 7.264 7.871 ( -0.206 -6.507 2.619) 7.018 8.260 ( -3.799 -3.015 15.518) 16.258 8.651 ( 4.618 -9.057 4.834) 11.257 8.859 ( 7.422 7.021 -3.840) 10.914 8.998 ( 2.429 1.344 1.562) 3.185 9.144 ( -1.774 5.676 -5.035) 7.792 9.384 ( 3.250 1.283 9.783) 10.388 9.501 ( -1.314 5.582 -3.582) 6.761 10.054 ( 10.382 5.148 1.810) 11.729 10.152 ( 6.706 -10.074 -0.961) 12.140 10.253 ( 2.049 -1.580 12.859) 13.117 10.936 ( -5.368 0.300 -4.127) 6.778 11.101 ( -9.164 -8.952 7.728) 14.961 11.415 ( -7.631 -2.669 18.274) 19.982 11.582 ( 4.962 6.777 0.554) 8.417 12.011 ( 4.634 -6.953 -0.093) 8.356 12.310 ( -10.868 -2.361 -8.857) 14.217 12.484 ( -1.813 4.299 12.288) 13.144 12.787 ( -4.637 -1.888 -3.966) 6.387 12.843 ( -5.493 -2.490 1.034) 6.118 12.950 ( 2.954 -7.059 1.336) 7.768 13.307 ( 6.929 -1.113 -1.434) 7.163 13.381 ( -2.522 1.399 0.614) 2.949 13.489 ( 1.439 1.759 -1.514) 2.731 13.582 ( 2.998 7.145 -0.528) 7.767 13.792 ( -0.507 2.268 3.583) 4.271 13.889 ( 3.854 11.591 1.140) 12.268 14.277 ( -0.880 9.064 -3.879) 9.898 14.356 ( -10.085 3.902 1.928) 10.984 14.505 ( -3.433 5.688 -2.965) 7.276 14.825 ( 3.478 1.684 2.921) 4.844 15.156 ( 8.109 -1.378 -4.930) 9.589 15.269 ( -0.949 -2.126 -2.024) 3.085 15.489 ( -0.473 -0.739 -4.378) 4.465 15.712 ( 3.136 -0.641 -15.994) 16.311 15.811 ( 3.404 3.759 -9.629) 10.883 15.966 ( -2.709 -3.643 -10.377) 11.326 16.080 ( -3.420 2.156 -7.458) 8.483 16.757 ( 11.090 -2.528 4.836) 12.360 17.400 ( -7.328 -10.513 5.969) 14.137 24.473 ( 3.485 -1.627 -1.094) 3.998 24.706 ( 0.125 1.894 -1.322) 2.313 24.811 ( -2.574 1.704 -0.533) 3.133 25.042 ( -4.730 -0.707 9.129) 10.305 25.463 ( 19.602 8.809 -11.251) 24.257 26.745 ( -12.283 -6.984 -5.068) 15.011 28.400 ( 0.300 -0.494 2.006) 2.088 28.423 ( -0.512 -0.727 -0.015) 0.889 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 17.100 5.576 16.191) 24.200 2.309 ( 20.259 9.745 15.197) 27.135 2.807 ( -12.974 -1.709 5.131) 14.056 3.074 ( -13.942 10.407 7.371) 18.895 3.457 ( 19.189 4.462 12.447) 23.304 4.043 ( -5.297 -5.037 4.899) 8.799 6.227 ( 7.031 3.290 -12.148) 14.417 6.586 ( -11.044 2.437 -17.539) 20.869 6.671 ( 10.372 -13.066 1.584) 16.757 7.097 ( -10.444 -16.512 1.872) 19.627 7.355 ( 6.678 12.838 -6.174) 15.733 7.619 ( -6.302 7.816 -4.393) 10.959 7.948 ( 6.317 -7.963 10.882) 14.891 8.176 ( -5.014 -3.543 14.485) 15.733 8.756 ( 6.318 -7.572 5.735) 11.407 8.972 ( 2.264 0.841 -3.716) 4.431 9.035 ( 0.609 2.216 3.749) 4.397 9.100 ( -0.152 9.037 -0.809) 9.075 9.382 ( -2.090 5.484 7.773) 9.740 9.448 ( -3.962 7.586 -2.517) 8.921 10.309 ( 12.295 -3.608 -0.073) 12.813 10.343 ( 13.678 -0.908 -1.017) 13.746 10.366 ( 10.045 -8.411 2.146) 13.275 10.797 ( -8.960 -0.572 -1.481) 9.100 10.915 ( -9.083 -4.134 6.690) 12.014 11.200 ( -14.491 0.073 13.199) 19.601 11.736 ( 10.558 5.106 -1.592) 11.835 12.083 ( 1.391 -7.107 0.113) 7.242 12.147 ( -6.023 -2.448 -5.457) 8.488 12.334 ( -10.648 3.188 0.291) 11.119 12.707 ( -0.988 -7.003 -0.169) 7.074 12.817 ( -1.560 -7.948 1.820) 8.301 13.048 ( 7.177 2.043 4.213) 8.569 13.309 ( -5.247 2.718 0.100) 5.910 13.428 ( 5.707 -0.277 -0.540) 5.739 13.555 ( 5.603 2.493 2.400) 6.586 13.596 ( -1.638 2.956 1.182) 3.580 13.774 ( -1.375 5.002 3.990) 6.545 13.955 ( 2.274 11.525 4.609) 12.619 14.107 ( -10.601 6.046 1.357) 12.280 14.292 ( 0.057 5.930 0.329) 5.940 14.418 ( -5.091 2.018 -0.181) 5.479 14.945 ( 7.949 0.720 -2.084) 8.249 15.213 ( -4.549 -1.225 -3.340) 5.774 15.302 ( 6.698 -0.734 -4.021) 7.846 15.473 ( -1.738 -0.611 -2.973) 3.497 15.776 ( 3.490 -1.017 -16.417) 16.815 15.879 ( 3.529 2.530 -9.161) 10.138 15.910 ( -3.127 -2.447 -12.518) 13.133 16.017 ( -3.393 1.889 -8.170) 9.046 16.953 ( 9.563 -3.455 4.559) 11.143 17.263 ( -7.158 -7.091 4.004) 10.842 24.543 ( 3.895 -1.514 -0.241) 4.186 24.688 ( -2.599 -0.431 0.560) 2.693 24.788 ( 0.960 1.927 1.325) 2.528 24.940 ( -5.630 -0.310 7.677) 9.526 25.839 ( 19.367 4.679 -11.149) 22.832 26.488 ( -14.673 -2.655 -6.169) 16.137 28.406 ( 0.322 -0.733 1.457) 1.662 28.416 ( -0.258 -1.025 0.131) 1.065 ======================= Grid point 139 (50/120) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -15.282 1.633 10.296) 18.499 2.523 ( 15.282 1.633 10.296) 18.499 2.716 ( -20.698 9.807 10.574) 25.227 2.716 ( 20.698 9.807 10.574) 25.227 3.833 ( -16.575 0.052 8.157) 18.474 3.833 ( 16.575 0.052 8.157) 18.474 6.385 ( -9.618 3.092 -16.461) 19.314 6.385 ( 9.618 3.092 -16.461) 19.314 6.886 ( -11.564 -15.765 2.667) 19.732 6.886 ( 11.564 -15.765 2.667) 19.732 7.489 ( -7.148 9.741 -4.144) 12.773 7.489 ( 7.148 9.741 -4.144) 12.773 8.070 ( -6.132 -5.928 13.231) 15.742 8.070 ( 6.132 -5.928 13.231) 15.742 8.885 ( -7.056 -5.916 4.812) 10.389 8.885 ( 7.056 -5.916 4.812) 10.389 9.094 ( -2.609 7.653 -0.184) 8.088 9.094 ( 2.609 7.653 -0.184) 8.088 9.376 ( -2.442 8.691 1.293) 9.120 9.376 ( 2.442 8.691 1.293) 9.120 10.478 ( -3.853 -7.928 -4.603) 9.944 10.478 ( 3.853 -7.928 -4.603) 9.944 10.594 ( -12.084 -5.093 0.855) 13.141 10.594 ( 12.084 -5.093 0.855) 13.141 10.916 ( -12.120 4.006 10.416) 16.475 10.916 ( 12.120 4.006 10.416) 16.475 11.953 ( -11.218 1.200 -1.513) 11.383 11.953 ( 11.218 1.200 -1.513) 11.383 12.171 ( -5.559 -1.876 -2.295) 6.300 12.171 ( 5.559 -1.876 -2.295) 6.300 12.754 ( -4.344 -9.447 0.570) 10.413 12.754 ( 4.344 -9.447 0.570) 10.413 13.189 ( -7.113 3.891 1.790) 8.303 13.189 ( 7.113 3.891 1.790) 8.303 13.526 ( -4.643 0.666 0.081) 4.692 13.526 ( 4.643 0.666 0.081) 4.692 13.694 ( -7.211 2.225 6.195) 9.763 13.694 ( 7.211 2.225 6.195) 9.763 13.985 ( -2.347 12.385 3.456) 13.071 13.985 ( 2.347 12.385 3.456) 13.071 14.330 ( -3.756 1.794 0.236) 4.170 14.330 ( 3.756 1.794 0.236) 4.170 15.096 ( -7.425 -0.099 -3.612) 8.257 15.096 ( 7.425 -0.099 -3.612) 8.257 15.412 ( -4.645 -0.618 -2.876) 5.498 15.412 ( 4.645 -0.618 -2.876) 5.498 15.844 ( -3.590 -1.532 -15.487) 15.971 15.844 ( 3.590 -1.532 -15.487) 15.971 15.950 ( -3.656 1.782 -8.014) 8.987 15.950 ( 3.656 1.782 -8.014) 8.987 17.121 ( -8.074 -4.838 3.734) 10.126 17.121 ( 8.074 -4.838 3.734) 10.126 24.620 ( -4.073 -1.011 0.245) 4.203 24.620 ( 4.073 -1.011 0.245) 4.203 24.842 ( -4.317 0.691 4.925) 6.585 24.842 ( 4.317 0.691 4.925) 6.585 26.187 ( -17.115 1.010 -8.698) 19.225 26.187 ( 17.115 1.010 -8.698) 19.225 28.412 ( -0.261 -0.984 0.727) 1.251 28.412 ( 0.261 -0.984 0.727) 1.251 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.000 23.355 10.753) 25.711 1.988 ( 0.000 20.216 19.290) 27.943 3.011 ( 0.000 27.051 25.977) 37.504 3.195 ( 0.000 -11.376 -1.249) 11.444 3.361 ( 0.000 -23.961 -0.648) 23.969 3.837 ( 0.000 3.013 8.210) 8.745 6.047 ( 0.000 2.596 9.087) 9.451 6.506 ( 0.000 9.144 -12.787) 15.720 6.894 ( 0.000 -24.518 6.844) 25.456 7.033 ( 0.000 -4.776 -19.980) 20.543 7.419 ( 0.000 13.755 -10.713) 17.435 7.902 ( 0.000 9.648 4.005) 10.446 8.031 ( 0.000 7.978 -6.335) 10.188 8.219 ( 0.000 -7.428 10.678) 13.008 8.334 ( 0.000 -9.351 -0.271) 9.355 8.670 ( 0.000 1.984 -4.174) 4.622 8.932 ( 0.000 -1.546 -4.366) 4.632 9.321 ( 0.000 5.806 10.424) 11.932 9.373 ( 0.000 11.887 -13.219) 17.778 9.608 ( 0.000 5.406 -1.323) 5.565 9.644 ( 0.000 -24.100 3.688) 24.380 10.038 ( 0.000 -4.167 15.883) 16.420 10.301 ( 0.000 7.719 12.985) 15.106 11.026 ( 0.000 1.413 -2.801) 3.137 11.109 ( 0.000 -11.094 9.168) 14.392 11.273 ( 0.000 -8.260 17.784) 19.609 11.691 ( 0.000 5.248 0.655) 5.289 11.956 ( 0.000 -0.789 -3.309) 3.402 12.475 ( 0.000 6.966 25.799) 26.723 12.680 ( 0.000 -3.217 -15.667) 15.994 12.747 ( 0.000 -3.284 9.338) 9.899 12.882 ( 0.000 -5.997 -10.908) 12.448 12.929 ( 0.000 3.066 0.694) 3.144 13.137 ( 0.000 -5.232 -2.526) 5.810 13.302 ( 0.000 -0.829 3.295) 3.398 13.411 ( 0.000 -3.870 1.406) 4.117 13.698 ( 0.000 8.376 -3.859) 9.222 13.873 ( 0.000 5.952 -0.662) 5.989 14.225 ( 0.000 14.223 -9.862) 17.307 14.336 ( 0.000 10.439 2.362) 10.703 14.613 ( 0.000 2.330 1.807) 2.948 14.864 ( 0.000 14.955 -4.099) 15.506 14.869 ( 0.000 -3.045 -5.089) 5.931 15.005 ( 0.000 -7.872 -2.897) 8.388 15.209 ( 0.000 9.277 3.117) 9.787 15.401 ( 0.000 -8.465 -12.175) 14.829 15.693 ( 0.000 2.495 -15.031) 15.237 15.842 ( 0.000 5.301 -5.888) 7.923 15.902 ( 0.000 -6.890 -6.894) 9.747 16.183 ( 0.000 -4.358 -0.781) 4.428 16.451 ( 0.000 6.397 -0.311) 6.405 17.211 ( 0.000 -17.211 10.908) 20.377 24.444 ( 0.000 4.619 -2.149) 5.095 24.798 ( 0.000 3.789 1.024) 3.925 24.810 ( 0.000 -4.992 -1.151) 5.123 25.087 ( 0.000 -3.964 11.062) 11.751 25.435 ( 0.000 22.675 -14.313) 26.815 26.669 ( 0.000 -17.769 -5.802) 18.693 28.393 ( 0.000 0.336 0.517) 0.617 28.438 ( 0.000 -0.471 -0.168) 0.501 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 12.024 18.507 15.003) 26.687 2.070 ( 8.957 20.752 15.828) 27.594 3.047 ( -0.657 11.602 14.658) 18.706 3.087 ( -1.253 0.294 6.886) 7.006 3.536 ( 11.927 -20.106 1.745) 23.443 3.781 ( -5.206 4.412 7.270) 9.971 6.072 ( 2.652 1.985 8.218) 8.860 6.485 ( -1.919 7.189 -10.842) 13.150 6.878 ( -2.059 -20.543 2.164) 20.759 6.963 ( -6.229 -7.154 -13.539) 16.532 7.471 ( 4.376 14.251 -10.977) 18.513 7.850 ( -4.858 3.498 3.226) 6.800 7.980 ( -3.276 11.230 -2.614) 11.986 8.258 ( 1.121 -2.049 6.081) 6.514 8.358 ( 3.415 -10.160 3.025) 11.137 8.738 ( 6.368 -0.388 -4.787) 7.976 8.946 ( 1.183 -2.269 -3.190) 4.090 9.362 ( 2.492 6.885 6.182) 9.583 9.370 ( 0.716 9.724 -8.409) 12.876 9.610 ( 1.100 0.474 3.705) 3.894 9.658 ( 1.793 -18.274 -2.307) 18.506 10.078 ( 4.056 -3.643 13.930) 14.958 10.291 ( -0.571 8.888 10.434) 13.718 10.992 ( -4.119 -3.007 0.696) 5.147 11.060 ( -3.807 -5.812 5.204) 8.680 11.310 ( 2.578 -9.000 19.189) 21.351 11.687 ( 0.188 6.133 0.866) 6.197 11.921 ( -2.696 -1.098 -3.186) 4.316 12.526 ( -3.853 1.419 6.436) 7.634 12.538 ( -4.318 3.881 3.112) 6.588 12.753 ( -0.644 -6.506 6.669) 9.340 12.817 ( -1.735 -2.826 -3.846) 5.078 12.942 ( -7.425 -1.384 -2.565) 7.976 13.130 ( 6.453 -2.896 -0.231) 7.077 13.381 ( 3.817 -0.727 -1.460) 4.151 13.444 ( 3.262 -2.316 0.414) 4.021 13.703 ( 0.890 7.783 0.001) 7.834 13.854 ( -1.831 4.938 0.445) 5.285 14.183 ( -1.579 13.151 -4.764) 14.076 14.435 ( 6.389 11.448 -2.423) 13.332 14.578 ( -5.159 1.449 -0.665) 5.400 14.753 ( -4.950 5.893 -3.791) 8.580 14.902 ( -5.917 -1.144 2.778) 6.636 15.009 ( 7.424 4.373 -6.766) 10.955 15.216 ( -1.250 -1.431 0.082) 1.902 15.423 ( 2.473 -4.251 -7.078) 8.619 15.696 ( 0.449 2.129 -15.084) 15.241 15.862 ( 2.087 5.417 -7.238) 9.278 15.894 ( -0.821 -5.933 -9.020) 10.827 16.165 ( -1.851 -1.253 -2.462) 3.325 16.536 ( 7.862 2.356 0.277) 8.212 17.188 ( -2.243 -15.898 8.870) 18.343 24.454 ( 1.074 3.921 -1.149) 4.224 24.767 ( -1.736 0.660 0.986) 2.103 24.824 ( -0.104 -1.722 0.408) 1.773 25.066 ( -2.264 -3.684 10.839) 11.670 25.515 ( 8.102 19.998 -15.121) 26.348 26.638 ( -3.238 -15.726 -6.025) 17.149 28.392 ( -0.105 0.133 0.362) 0.400 28.428 ( -0.957 -0.467 -0.254) 1.094 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 15.086 11.693 18.466) 26.558 2.304 ( 13.857 19.561 14.430) 27.980 2.924 ( -7.165 -7.678 2.320) 10.755 3.261 ( 13.932 17.875 12.719) 25.988 3.560 ( -10.655 -3.605 11.548) 16.121 3.816 ( 9.101 -6.693 -0.900) 11.333 6.147 ( 5.274 0.562 5.730) 7.808 6.453 ( -0.790 2.474 -7.123) 7.582 6.785 ( -7.953 -3.734 -15.317) 17.658 6.848 ( -5.517 -19.757 6.489) 21.515 7.548 ( 3.237 13.823 -9.256) 16.948 7.756 ( -4.370 -2.464 2.381) 5.553 7.939 ( -0.693 14.575 1.390) 14.658 8.235 ( -2.964 -0.897 3.329) 4.547 8.459 ( 6.576 -7.714 6.310) 11.940 8.863 ( 4.574 -4.357 -8.811) 10.841 8.973 ( 2.748 -2.445 3.516) 5.089 9.336 ( -2.574 4.319 -5.223) 7.250 9.429 ( 2.451 5.036 3.492) 6.600 9.643 ( 1.200 6.866 2.984) 7.582 9.778 ( 11.984 -15.844 -4.643) 20.401 10.169 ( 4.705 -4.631 10.202) 12.152 10.310 ( 3.482 10.249 2.559) 11.123 10.869 ( -8.323 -7.071 4.016) 11.636 10.986 ( -3.873 -0.102 2.874) 4.824 11.323 ( -2.208 -6.066 19.592) 20.628 11.721 ( 3.662 5.511 1.754) 6.846 11.892 ( 0.295 -3.460 -3.673) 5.055 12.298 ( -11.291 1.542 -7.947) 13.893 12.540 ( -4.457 1.314 11.154) 12.083 12.689 ( -7.123 -6.229 -4.738) 10.582 12.720 ( -5.782 -6.456 4.130) 9.601 12.942 ( 7.846 3.611 7.030) 11.136 13.274 ( 7.543 -2.701 0.984) 8.072 13.400 ( -1.369 1.139 -3.392) 3.831 13.514 ( 3.786 0.273 -1.245) 3.994 13.739 ( 1.522 5.449 3.693) 6.756 13.806 ( -2.397 1.853 4.311) 5.269 14.193 ( 2.292 13.084 -2.918) 13.600 14.400 ( -9.282 2.615 -3.064) 10.119 14.499 ( -3.931 8.789 0.155) 9.629 14.666 ( -3.966 7.667 -0.790) 8.668 14.858 ( 1.929 0.995 1.099) 2.433 15.150 ( 6.407 0.907 -6.764) 9.361 15.197 ( 0.595 -4.343 0.585) 4.423 15.462 ( 1.018 -1.831 -3.160) 3.792 15.717 ( 1.814 0.926 -15.839) 15.969 15.873 ( -1.312 -4.483 -11.009) 11.959 15.907 ( 2.152 4.731 -8.757) 10.184 16.118 ( -2.984 0.927 -4.377) 5.378 16.705 ( 9.175 -1.456 0.221) 9.293 17.137 ( -2.848 -12.769 4.108) 13.712 24.486 ( 2.336 2.648 0.741) 3.608 24.740 ( -1.229 1.013 3.318) 3.681 24.801 ( -1.882 -1.679 1.133) 2.765 25.002 ( -4.272 -3.020 9.987) 11.274 25.720 ( 12.795 13.884 -15.278) 24.288 26.549 ( -6.077 -10.765 -6.943) 14.178 28.389 ( -0.136 -0.363 -0.033) 0.389 28.408 ( -0.971 -0.640 -0.461) 1.251 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 14.825 8.154 15.992) 23.281 2.561 ( 13.343 13.080 14.829) 23.854 2.791 ( -6.228 -0.400 7.222) 9.544 3.267 ( -16.624 4.693 11.990) 21.027 3.590 ( 16.315 7.819 5.557) 18.926 3.929 ( 1.438 -4.300 -0.044) 4.534 6.272 ( 7.720 -0.482 1.049) 7.806 6.472 ( 2.967 -3.755 -4.093) 6.297 6.616 ( -9.209 -0.807 -10.726) 14.160 6.724 ( -7.545 -17.070 6.059) 19.622 7.595 ( 2.009 9.984 -6.181) 11.912 7.687 ( -3.059 -0.268 -0.158) 3.075 7.963 ( 3.170 10.584 5.273) 12.243 8.155 ( -5.222 0.825 4.964) 7.252 8.594 ( 7.449 -7.573 5.189) 11.822 8.848 ( -4.536 -8.444 -2.891) 10.012 9.087 ( 7.309 0.749 1.711) 7.544 9.279 ( -3.271 1.575 -2.954) 4.681 9.481 ( 3.520 5.801 0.904) 6.846 9.637 ( -2.206 8.835 1.568) 9.240 10.050 ( 14.567 -12.319 -5.224) 19.780 10.255 ( 4.557 -5.479 -1.140) 7.217 10.405 ( 4.856 4.112 -3.013) 7.041 10.692 ( -9.980 -6.124 2.592) 11.992 10.939 ( 0.268 4.503 9.656) 10.658 11.214 ( -8.814 0.779 16.698) 18.897 11.818 ( 5.906 0.448 3.034) 6.655 11.928 ( 2.513 -5.776 -1.184) 6.410 12.137 ( -4.788 2.226 -3.862) 6.542 12.372 ( -11.348 1.238 3.866) 12.052 12.578 ( -2.598 -5.230 -1.816) 6.116 12.648 ( -3.492 -7.082 1.162) 7.982 13.108 ( 8.431 3.565 5.166) 10.511 13.345 ( -3.498 1.513 -2.749) 4.699 13.415 ( 6.488 -1.551 3.220) 7.407 13.578 ( 2.051 -0.969 -1.577) 2.763 13.694 ( -2.999 4.915 5.305) 7.829 13.803 ( -0.977 -0.345 6.815) 6.894 14.201 ( -2.059 7.401 0.716) 7.715 14.324 ( 2.574 13.190 -1.694) 13.545 14.366 ( -7.150 2.148 3.047) 8.064 14.569 ( -6.333 10.453 0.517) 12.233 14.958 ( 7.063 0.413 -2.583) 7.532 15.165 ( -2.307 -3.441 -2.165) 4.675 15.295 ( 6.379 0.443 -3.022) 7.072 15.457 ( -1.589 -1.059 -1.762) 2.598 15.761 ( 2.631 -0.280 -16.355) 16.567 15.846 ( -1.566 -3.304 -13.885) 14.359 15.940 ( 1.721 3.087 -6.904) 7.757 16.055 ( -3.584 1.280 -5.257) 6.490 16.869 ( 7.787 -3.702 -0.637) 8.646 17.079 ( -3.508 -9.193 0.015) 9.839 24.543 ( 3.632 1.715 2.348) 4.653 24.700 ( -3.501 1.603 4.083) 5.613 24.785 ( 0.893 -2.125 3.313) 4.036 24.913 ( -4.836 -2.350 8.453) 10.018 25.974 ( 13.378 7.414 -13.637) 20.491 26.408 ( -8.850 -4.784 -8.731) 13.321 28.387 ( -0.060 -0.866 -0.462) 0.984 28.394 ( -0.522 -0.941 -0.605) 1.235 ======================= Grid point 148 (55/120) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -8.881 4.471 11.692) 15.348 2.594 ( 8.881 4.471 11.692) 15.348 2.923 ( -18.076 8.160 13.840) 24.184 2.923 ( 18.076 8.160 13.840) 24.184 3.850 ( -9.640 1.685 1.631) 9.921 3.850 ( 9.640 1.685 1.631) 9.921 6.432 ( -8.798 -0.321 -6.957) 11.220 6.432 ( 8.798 -0.321 -6.957) 11.220 6.580 ( -6.824 -11.138 3.557) 13.537 6.580 ( 6.824 -11.138 3.557) 13.537 7.635 ( -2.408 5.032 -3.159) 6.411 7.635 ( 2.408 5.032 -3.159) 6.411 8.049 ( -5.510 4.549 6.369) 9.571 8.049 ( 5.510 4.549 6.369) 9.571 8.734 ( -6.988 -8.434 2.365) 11.205 8.734 ( 6.988 -8.434 2.365) 11.205 9.205 ( -4.851 1.441 -1.224) 5.207 9.205 ( 4.851 1.441 -1.224) 5.207 9.564 ( -4.818 8.271 1.402) 9.674 9.564 ( 4.818 8.271 1.402) 9.674 10.264 ( -6.223 -10.203 -9.142) 15.047 10.264 ( 6.223 -10.203 -9.142) 15.047 10.510 ( -8.118 -2.295 -0.213) 8.438 10.510 ( 8.118 -2.295 -0.213) 8.438 11.032 ( -8.804 6.315 15.256) 18.712 11.032 ( 8.804 6.315 15.256) 18.712 11.917 ( -3.942 -5.121 2.610) 6.970 11.917 ( 3.942 -5.121 2.610) 6.970 12.173 ( -8.186 3.058 -0.783) 8.774 12.173 ( 8.186 3.058 -0.783) 8.774 12.585 ( -2.649 -6.364 -0.425) 6.906 12.585 ( 2.649 -6.364 -0.425) 6.906 13.249 ( -6.373 2.554 -0.039) 6.866 13.249 ( 6.373 2.554 -0.039) 6.866 13.532 ( -5.440 -1.210 1.917) 5.894 13.532 ( 5.440 -1.210 1.917) 5.894 13.732 ( -5.153 1.670 6.106) 8.162 13.732 ( 5.153 1.670 6.106) 8.162 14.227 ( -4.899 6.632 3.807) 9.082 14.227 ( 4.899 6.632 3.807) 9.082 14.441 ( -6.786 9.986 -0.578) 12.087 14.441 ( 6.786 9.986 -0.578) 12.087 15.086 ( -5.834 -0.928 -2.874) 6.570 15.086 ( 5.834 -0.928 -2.874) 6.570 15.400 ( -4.403 -0.514 -1.825) 4.794 15.400 ( 4.403 -0.514 -1.825) 4.794 15.809 ( -2.302 -1.508 -15.943) 16.178 15.809 ( 2.302 -1.508 -15.943) 16.178 15.987 ( -3.245 1.506 -5.535) 6.590 15.987 ( 3.245 1.506 -5.535) 6.590 16.995 ( -5.487 -6.094 -1.300) 8.303 16.995 ( 5.487 -6.094 -1.300) 8.303 24.621 ( -4.372 1.358 3.361) 5.679 24.621 ( 4.372 1.358 3.361) 5.679 24.830 ( -3.596 -1.962 6.265) 7.486 24.830 ( 3.596 -1.962 6.265) 7.486 26.213 ( -11.563 1.284 -11.146) 16.112 26.213 ( 11.563 1.284 -11.146) 16.112 28.388 ( -0.149 -1.079 -0.644) 1.265 28.388 ( 0.149 -1.079 -0.644) 1.265 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 0.000 26.837 4.829) 27.268 2.448 ( 0.000 21.625 9.525) 23.630 2.806 ( 0.000 -27.167 1.346) 27.200 2.878 ( 0.000 -17.864 2.633) 18.057 3.525 ( 0.000 19.411 17.861) 26.378 3.808 ( 0.000 -6.832 12.139) 13.930 6.159 ( 0.000 8.636 9.545) 12.872 6.437 ( 0.000 -17.460 9.098) 19.688 6.713 ( 0.000 9.691 -14.714) 17.619 6.902 ( 0.000 -7.612 -17.678) 19.247 7.722 ( 0.000 14.057 -5.139) 14.967 7.973 ( 0.000 2.799 0.000) 2.799 8.006 ( 0.000 -12.095 2.061) 12.269 8.074 ( 0.000 -6.167 3.518) 7.100 8.520 ( 0.000 23.536 -5.481) 24.166 8.752 ( 0.000 5.495 -2.995) 6.258 8.869 ( 0.000 -4.551 -6.110) 7.619 9.071 ( 0.000 -26.610 -2.882) 26.766 9.529 ( 0.000 11.389 17.501) 20.881 9.581 ( 0.000 7.137 -9.680) 12.027 9.665 ( 0.000 -0.518 -3.458) 3.497 9.808 ( 0.000 -13.581 19.960) 24.142 10.566 ( 0.000 13.869 9.545) 16.836 10.853 ( 0.000 -12.763 10.415) 16.473 11.058 ( 0.000 2.080 2.517) 3.265 11.131 ( 0.000 -4.932 9.643) 10.831 11.803 ( 0.000 5.228 -1.720) 5.504 11.905 ( 0.000 -3.916 -3.568) 5.297 12.600 ( 0.000 4.810 23.410) 23.899 12.669 ( 0.000 2.207 -12.422) 12.617 12.682 ( 0.000 -3.010 19.507) 19.738 12.757 ( 0.000 -5.416 -11.218) 12.457 12.993 ( 0.000 2.370 -3.597) 4.308 13.045 ( 0.000 -3.127 -5.469) 6.300 13.301 ( 0.000 0.835 1.932) 2.105 13.340 ( 0.000 -2.687 1.140) 2.919 13.860 ( 0.000 6.376 1.230) 6.493 13.940 ( 0.000 -0.296 1.494) 1.523 14.475 ( 0.000 9.011 -5.368) 10.488 14.548 ( 0.000 9.018 4.859) 10.243 14.606 ( 0.000 -3.178 -1.539) 3.531 14.747 ( 0.000 -9.362 1.017) 9.417 14.974 ( 0.000 7.070 -12.716) 14.550 15.136 ( 0.000 10.801 1.097) 10.856 15.189 ( 0.000 -10.943 -13.497) 17.376 15.295 ( 0.000 -2.471 2.890) 3.802 15.738 ( 0.000 1.730 -14.847) 14.948 15.784 ( 0.000 -3.363 -11.157) 11.653 15.960 ( 0.000 5.608 -4.881) 7.435 16.078 ( 0.000 -5.352 -3.294) 6.285 16.628 ( 0.000 10.130 2.835) 10.519 16.882 ( 0.000 -13.557 7.544) 15.515 24.559 ( 0.000 5.918 -1.850) 6.201 24.690 ( 0.000 -6.084 -1.494) 6.264 24.886 ( 0.000 4.546 5.487) 7.125 24.989 ( 0.000 -4.931 8.849) 10.130 25.886 ( 0.000 19.555 -12.107) 23.000 26.286 ( 0.000 -18.077 -8.249) 19.870 28.406 ( 0.000 0.822 -0.525) 0.975 28.424 ( 0.000 -0.805 -0.656) 1.038 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 3.152 21.284 8.927) 23.294 2.530 ( 6.948 16.932 7.568) 19.805 2.740 ( -0.332 -13.074 3.493) 13.537 3.068 ( 12.532 -22.218 3.550) 25.754 3.540 ( 1.944 17.370 15.257) 23.201 3.785 ( -1.951 -5.189 10.309) 11.705 6.171 ( 1.250 8.086 9.682) 12.676 6.437 ( -0.064 -16.694 9.252) 19.086 6.666 ( -4.488 8.350 -12.698) 15.846 6.837 ( -6.156 -7.000 -15.431) 18.028 7.762 ( 3.064 11.563 -5.379) 13.116 7.865 ( -5.419 0.532 0.153) 5.447 8.074 ( 0.808 -3.045 3.041) 4.379 8.146 ( 7.768 -9.044 1.981) 12.086 8.488 ( -2.984 21.639 -5.699) 22.575 8.765 ( 0.446 1.901 -3.847) 4.314 8.871 ( 0.999 -3.758 -2.192) 4.464 9.094 ( 2.055 -23.897 -0.529) 23.991 9.543 ( 1.718 8.389 4.467) 9.658 9.581 ( 0.265 5.828 -11.289) 12.707 9.692 ( 3.545 2.709 6.121) 7.575 9.874 ( 6.040 -11.851 15.780) 20.639 10.558 ( -0.777 13.165 7.801) 15.322 10.816 ( -3.800 -10.610 8.230) 13.955 11.051 ( -0.937 2.112 3.945) 4.572 11.140 ( 0.990 -6.309 12.203) 13.773 11.805 ( 0.269 4.739 -1.171) 4.889 11.884 ( -1.913 -2.634 -3.234) 4.589 12.547 ( -6.438 1.921 -0.447) 6.734 12.611 ( -4.906 -2.466 3.598) 6.564 12.658 ( -2.348 2.698 8.752) 9.455 12.752 ( -2.838 -4.023 3.763) 6.197 12.961 ( -1.652 3.187 -0.839) 3.687 13.051 ( 4.639 -4.448 0.469) 6.444 13.378 ( 5.096 0.467 -2.174) 5.560 13.400 ( 5.293 -1.563 -1.675) 5.768 13.852 ( -1.072 5.665 3.977) 7.004 13.916 ( -2.472 0.142 3.183) 4.033 14.407 ( -3.088 7.962 -2.605) 8.929 14.542 ( -5.704 -4.434 -3.111) 7.866 14.668 ( 8.165 8.477 1.196) 11.830 14.798 ( 3.409 -3.320 0.258) 4.766 14.889 ( -7.130 6.058 -7.787) 12.172 15.089 ( -5.981 -8.742 -3.634) 11.198 15.182 ( 2.732 8.405 -4.289) 9.823 15.343 ( 3.053 -5.097 -0.264) 5.947 15.739 ( 0.066 1.853 -15.003) 15.117 15.788 ( 0.201 -3.298 -13.264) 13.669 15.985 ( 2.171 5.733 -5.004) 7.913 16.098 ( 1.350 -4.578 -3.039) 5.658 16.653 ( 2.764 8.367 1.157) 8.888 16.880 ( 0.013 -12.613 5.408) 13.723 24.560 ( 0.211 5.670 -0.612) 5.706 24.685 ( -0.324 -5.723 -0.081) 5.732 24.874 ( -1.345 4.182 5.520) 7.055 24.972 ( -1.802 -4.751 8.841) 10.197 25.923 ( 3.741 17.989 -12.713) 22.344 26.291 ( 0.491 -16.600 -8.846) 18.816 28.401 ( -0.547 0.628 -0.709) 1.093 28.415 ( -0.868 -0.687 -0.804) 1.368 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 8.381 14.309 12.465) 20.746 2.632 ( 3.485 -5.700 7.925) 10.365 2.818 ( 6.565 14.597 9.654) 18.691 3.248 ( 4.069 -19.827 10.446) 22.777 3.615 ( 6.191 12.789 7.156) 15.909 3.779 ( 2.783 -2.577 2.650) 4.627 6.205 ( 2.335 6.126 10.132) 12.068 6.429 ( -0.898 -14.089 9.630) 17.089 6.567 ( -5.278 5.014 -8.590) 11.260 6.698 ( -7.789 -5.949 -11.374) 15.014 7.778 ( -3.094 3.879 0.745) 5.017 7.800 ( -0.165 6.388 -5.204) 8.241 8.099 ( 1.798 2.664 2.234) 3.914 8.281 ( 6.044 -10.253 2.734) 12.212 8.418 ( -4.059 18.122 -5.791) 19.453 8.730 ( -4.002 -8.674 -5.198) 10.875 8.946 ( 6.784 1.709 4.255) 8.189 9.138 ( 2.429 -15.816 4.550) 16.636 9.575 ( 1.484 5.447 -11.117) 12.468 9.632 ( 5.381 -0.453 -15.106) 16.042 9.804 ( 7.629 8.151 10.777) 15.517 10.003 ( 6.699 -9.551 9.593) 15.104 10.536 ( -1.533 9.735 2.325) 10.126 10.716 ( -6.554 -7.265 3.966) 10.557 11.033 ( -0.195 4.364 9.371) 10.339 11.168 ( 1.808 -7.648 17.066) 18.788 11.807 ( -0.662 2.824 0.090) 2.902 11.851 ( -0.926 -1.378 -2.435) 2.947 12.378 ( -9.356 5.743 -6.075) 12.547 12.525 ( -4.897 -6.921 -4.391) 9.548 12.576 ( -6.815 0.933 9.833) 12.000 12.622 ( -6.955 -3.100 6.970) 10.323 13.047 ( 8.253 5.890 6.676) 12.140 13.179 ( 7.949 -5.865 4.207) 10.737 13.440 ( 0.941 2.427 -5.417) 6.010 13.492 ( 3.465 -2.087 -4.561) 6.096 13.824 ( -1.517 2.877 8.150) 8.775 13.849 ( -4.336 0.817 6.174) 7.589 14.372 ( -1.409 3.911 -1.638) 4.468 14.416 ( -6.649 -0.772 -2.386) 7.106 14.723 ( -7.048 10.335 -3.393) 12.961 14.799 ( 1.490 4.559 -0.192) 4.800 14.862 ( 3.459 0.354 -1.715) 3.877 15.024 ( 0.827 -9.657 -1.641) 9.830 15.255 ( 4.368 6.397 -1.621) 7.914 15.391 ( 1.976 -5.239 -0.087) 5.600 15.743 ( 0.526 1.492 -15.683) 15.762 15.787 ( -0.213 -2.922 -15.054) 15.337 16.016 ( 0.563 4.932 -4.710) 6.843 16.101 ( -1.276 -2.627 -2.740) 4.004 16.732 ( 5.143 4.384 -2.530) 7.216 16.889 ( 0.900 -9.909 0.119) 9.951 24.572 ( 1.234 5.015 1.934) 5.514 24.685 ( 0.443 -5.005 2.802) 5.753 24.831 ( -3.156 3.644 5.748) 7.502 24.921 ( -3.599 -4.329 8.753) 10.407 26.019 ( 6.055 13.648 -13.548) 20.161 26.299 ( 0.127 -12.441 -10.157) 16.061 28.388 ( -0.747 0.192 -1.169) 1.401 28.396 ( -1.079 -0.520 -1.147) 1.658 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 10.107 7.915 13.808) 18.853 2.684 ( 1.994 -4.096 10.683) 11.614 2.921 ( 4.440 14.044 14.931) 20.973 3.199 ( -7.569 -9.943 15.918) 20.237 3.768 ( 8.787 7.416 -1.198) 11.561 3.871 ( 4.604 -2.463 -3.352) 6.204 6.261 ( 3.527 2.013 10.902) 11.634 6.401 ( -2.219 -10.883 11.555) 16.027 6.485 ( -2.889 2.386 -6.751) 7.721 6.561 ( -6.193 -3.990 -8.290) 11.091 7.736 ( -1.005 4.692 -0.464) 4.821 7.777 ( -2.012 3.747 -2.720) 5.048 8.142 ( 2.874 7.018 1.754) 7.784 8.302 ( -4.533 7.363 3.504) 9.329 8.415 ( 4.958 -4.626 -6.091) 9.115 8.633 ( -5.763 -11.507 -4.727) 13.710 9.088 ( 6.852 0.873 7.238) 10.005 9.178 ( 1.415 -7.234 6.845) 10.059 9.627 ( 4.348 6.705 -11.655) 14.132 9.739 ( 4.009 -2.095 -9.761) 10.758 9.944 ( 6.723 4.432 -3.250) 8.684 10.104 ( 3.113 -8.141 -2.376) 9.034 10.499 ( -2.054 4.213 -1.205) 4.839 10.584 ( -6.447 -4.065 1.479) 7.763 11.067 ( 3.838 6.848 16.936) 18.667 11.192 ( 0.051 -3.704 20.498) 20.830 11.784 ( -0.821 -0.123 0.169) 0.848 11.838 ( -1.435 -4.009 0.520) 4.290 12.250 ( -3.051 7.477 -1.778) 8.269 12.391 ( -7.987 -2.373 4.316) 9.384 12.475 ( -2.679 -1.933 -2.013) 3.868 12.526 ( -4.141 -4.270 3.154) 6.733 13.206 ( 7.507 5.421 3.915) 10.053 13.323 ( 5.931 -4.802 0.680) 7.662 13.422 ( -1.494 3.706 -0.874) 4.091 13.516 ( -0.890 -4.294 -3.386) 5.540 13.775 ( -2.588 2.376 7.735) 8.496 13.798 ( -1.591 -0.192 8.077) 8.234 14.304 ( -3.246 2.928 2.963) 5.281 14.345 ( -2.927 -1.242 2.752) 4.205 14.634 ( -1.527 11.044 -3.700) 11.747 14.734 ( -4.766 2.620 -2.786) 6.110 14.977 ( 6.032 2.156 -1.573) 6.596 15.067 ( 1.860 -5.343 -0.906) 5.729 15.333 ( 3.591 3.155 -0.628) 4.821 15.412 ( -0.045 -3.357 0.345) 3.375 15.763 ( 1.456 0.446 -16.068) 16.140 15.786 ( 0.206 -1.921 -15.630) 15.749 16.007 ( -0.921 3.006 -3.735) 4.882 16.057 ( -3.000 -1.254 -2.726) 4.243 16.829 ( 4.613 0.657 -5.520) 7.224 16.906 ( 0.477 -6.302 -4.706) 7.880 24.610 ( 2.799 4.234 4.181) 6.576 24.708 ( 2.072 -4.332 5.453) 7.266 24.759 ( -4.293 3.409 5.846) 8.014 24.842 ( -4.392 -3.968 8.268) 10.168 26.137 ( 5.987 7.513 -13.482) 16.554 26.287 ( -1.558 -6.384 -11.489) 13.236 28.375 ( -0.494 -0.210 -1.624) 1.710 28.378 ( -0.690 -0.480 -1.493) 1.714 ======================= Grid point 157 (60/120) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -3.316 2.760 13.437) 14.113 2.682 ( 3.316 2.760 13.437) 14.113 3.033 ( -8.201 2.203 15.919) 18.043 3.033 ( 8.201 2.203 15.919) 18.043 3.891 ( -3.033 1.441 -3.929) 5.169 3.891 ( 3.033 1.441 -3.929) 5.169 6.337 ( -4.216 -4.477 12.049) 13.528 6.337 ( 4.216 -4.477 12.049) 13.528 6.478 ( -2.240 -1.058 -6.886) 7.318 6.478 ( 2.240 -1.058 -6.886) 7.318 7.741 ( -1.378 3.831 -1.427) 4.314 7.741 ( 1.378 3.831 -1.427) 4.314 8.211 ( -4.408 9.072 2.036) 10.290 8.211 ( 4.408 9.072 2.036) 10.290 8.521 ( -5.863 -10.482 -4.803) 12.935 8.521 ( 5.863 -10.482 -4.803) 12.935 9.175 ( -2.149 -2.214 7.416) 8.032 9.175 ( 2.149 -2.214 7.416) 8.032 9.726 ( -4.694 6.007 -5.121) 9.184 9.726 ( 4.694 6.007 -5.121) 9.184 10.075 ( -6.025 -6.612 -14.852) 17.338 10.075 ( 6.025 -6.612 -14.852) 17.338 10.497 ( -2.489 0.355 2.072) 3.258 10.497 ( 2.489 0.355 2.072) 3.258 11.153 ( -4.079 3.863 20.599) 21.351 11.153 ( 4.079 3.863 20.599) 21.351 11.797 ( -2.103 -4.188 1.287) 4.860 11.797 ( 2.103 -4.188 1.287) 4.860 12.269 ( -4.381 4.479 3.511) 7.182 12.269 ( 4.381 4.479 3.511) 7.182 12.467 ( -1.712 -4.461 -1.851) 5.125 12.467 ( 1.712 -4.461 -1.851) 5.125 13.317 ( -4.325 3.462 -4.391) 7.069 13.317 ( 4.325 3.462 -4.391) 7.069 13.469 ( -3.964 -3.676 4.579) 7.085 13.469 ( 3.964 -3.676 4.579) 7.085 13.764 ( -1.325 0.965 7.152) 7.337 13.764 ( 1.325 0.965 7.152) 7.337 14.292 ( -1.760 1.055 5.883) 6.230 14.292 ( 1.760 1.055 5.883) 6.230 14.656 ( -3.104 6.728 -4.368) 8.601 14.656 ( 3.104 6.728 -4.368) 8.601 15.062 ( -2.559 -0.970 -1.054) 2.933 15.062 ( 2.559 -0.970 -1.054) 2.933 15.388 ( -2.234 -0.446 -0.292) 2.297 15.388 ( 2.234 -0.446 -0.292) 2.297 15.786 ( -0.607 -0.539 -15.952) 15.973 15.786 ( 0.607 -0.539 -15.952) 15.973 16.008 ( -1.502 0.428 -2.853) 3.253 16.008 ( 1.502 0.428 -2.853) 3.253 16.893 ( -1.993 -2.740 -6.515) 7.343 16.893 ( 1.993 -2.740 -6.515) 7.343 24.677 ( -4.084 3.644 5.545) 7.791 24.677 ( 4.084 3.644 5.545) 7.791 24.763 ( -3.702 -3.967 7.135) 8.964 24.763 ( 3.702 -3.967 7.135) 8.964 26.235 ( -4.033 0.567 -12.643) 13.283 26.235 ( 4.033 0.567 -12.643) 13.283 28.371 ( -0.079 -0.432 -1.723) 1.778 28.371 ( 0.079 -0.432 -1.723) 1.778 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.000 0.000 19.273) 19.273 2.163 ( 0.000 0.000 29.676) 29.676 2.963 ( 0.000 0.000 29.984) 29.984 3.418 ( 0.000 0.000 0.464) 0.464 3.715 ( 0.000 0.000 0.515) 0.515 3.903 ( 0.000 0.000 -3.389) 3.389 6.042 ( 0.000 0.000 -10.658) 10.658 6.261 ( 0.000 0.000 14.340) 14.340 6.667 ( 0.000 0.000 -22.460) 22.460 6.715 ( 0.000 0.000 -12.873) 12.873 7.635 ( 0.000 0.000 12.712) 12.712 7.806 ( 0.000 0.000 -9.429) 9.429 7.829 ( 0.000 0.000 -6.325) 6.325 8.214 ( 0.000 0.000 -4.958) 4.958 8.711 ( 0.000 0.000 -2.613) 2.613 8.758 ( 0.000 0.000 -2.396) 2.396 8.912 ( 0.000 0.000 14.137) 14.137 9.042 ( 0.000 0.000 -4.251) 4.251 9.351 ( 0.000 0.000 5.798) 5.798 9.360 ( 0.000 0.000 0.624) 0.624 9.865 ( 0.000 0.000 9.207) 9.207 10.448 ( 0.000 0.000 7.817) 7.817 10.743 ( 0.000 0.000 19.549) 19.549 10.913 ( 0.000 0.000 0.372) 0.372 11.396 ( 0.000 0.000 0.339) 0.339 11.669 ( 0.000 0.000 0.447) 0.447 11.926 ( 0.000 0.000 -1.679) 1.679 12.189 ( 0.000 0.000 26.391) 26.391 12.434 ( 0.000 0.000 -18.025) 18.025 12.594 ( 0.000 0.000 9.547) 9.547 12.751 ( 0.000 0.000 0.707) 0.707 12.797 ( 0.000 0.000 -9.348) 9.348 13.047 ( 0.000 0.000 -2.034) 2.034 13.092 ( 0.000 0.000 -2.964) 2.964 13.348 ( 0.000 0.000 -0.794) 0.794 13.475 ( 0.000 0.000 5.564) 5.564 13.535 ( 0.000 0.000 2.812) 2.812 13.620 ( 0.000 0.000 -0.485) 0.485 13.749 ( 0.000 0.000 7.454) 7.454 14.073 ( 0.000 0.000 0.013) 0.013 14.179 ( 0.000 0.000 -1.898) 1.898 14.593 ( 0.000 0.000 3.736) 3.736 15.031 ( 0.000 0.000 1.579) 1.579 15.069 ( 0.000 0.000 -7.148) 7.148 15.118 ( 0.000 0.000 8.617) 8.617 15.290 ( 0.000 0.000 -15.633) 15.633 15.342 ( 0.000 0.000 -17.370) 17.370 15.456 ( 0.000 0.000 -10.964) 10.964 15.852 ( 0.000 0.000 -11.761) 11.761 16.370 ( 0.000 0.000 1.706) 1.706 16.371 ( 0.000 0.000 4.609) 4.609 17.862 ( 0.000 0.000 1.566) 1.566 24.290 ( 0.000 0.000 -2.282) 2.282 24.429 ( 0.000 0.000 -2.259) 2.259 24.811 ( 0.000 0.000 -1.454) 1.454 24.907 ( 0.000 0.000 -0.975) 0.975 25.470 ( 0.000 0.000 15.234) 15.234 26.939 ( 0.000 0.000 -13.337) 13.337 28.431 ( 0.000 0.000 0.552) 0.552 28.480 ( 0.000 0.000 1.927) 1.927 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 21.149 0.000 17.682) 27.566 2.195 ( 3.429 0.000 27.730) 27.941 2.971 ( 2.024 0.000 25.913) 25.991 3.366 ( -5.355 0.000 1.163) 5.480 3.611 ( -7.066 0.000 1.261) 7.178 4.044 ( 10.112 0.000 -1.089) 10.171 5.930 ( -6.740 0.000 -8.811) 11.093 6.460 ( 15.469 0.000 11.138) 19.061 6.564 ( -9.639 0.000 -22.068) 24.081 6.743 ( 2.918 0.000 -11.834) 12.188 7.642 ( 0.630 0.000 12.291) 12.308 7.655 ( -13.094 0.000 -7.673) 15.177 7.889 ( 7.674 0.000 -6.402) 9.994 8.384 ( 12.710 0.000 -2.878) 13.032 8.707 ( -1.602 0.000 -0.247) 1.621 8.791 ( 4.518 0.000 -4.147) 6.133 8.921 ( 0.885 0.000 12.436) 12.468 9.098 ( 2.467 0.000 0.099) 2.469 9.159 ( -5.269 0.000 -3.608) 6.386 9.575 ( 9.918 0.000 5.994) 11.589 9.883 ( 2.610 0.000 9.714) 10.059 10.414 ( -2.625 0.000 6.908) 7.390 10.679 ( -5.622 0.000 18.347) 19.189 10.934 ( 0.366 0.000 2.398) 2.426 11.360 ( -1.903 0.000 -1.535) 2.445 11.592 ( -7.529 0.000 2.710) 8.002 11.843 ( -8.467 0.000 -3.018) 8.989 12.197 ( -1.208 0.000 12.496) 12.554 12.365 ( -2.604 0.000 -0.787) 2.721 12.576 ( -7.220 0.000 -5.273) 8.941 12.774 ( 4.036 0.000 4.863) 6.320 12.854 ( 7.448 0.000 -3.335) 8.161 13.017 ( -3.860 0.000 -2.051) 4.371 13.160 ( 4.796 0.000 -2.265) 5.304 13.314 ( -1.161 0.000 2.546) 2.799 13.517 ( -0.305 0.000 5.283) 5.292 13.559 ( 6.017 0.000 1.517) 6.206 13.600 ( -1.146 0.000 -0.328) 1.192 13.843 ( 7.196 0.000 4.649) 8.567 14.056 ( -0.662 0.000 -1.075) 1.262 14.253 ( 6.078 0.000 -3.118) 6.831 14.529 ( -6.227 0.000 2.655) 6.769 14.969 ( -5.179 0.000 4.957) 7.169 15.051 ( 2.014 0.000 0.169) 2.021 15.209 ( 3.841 0.000 -1.167) 4.015 15.304 ( 1.408 0.000 -14.662) 14.730 15.339 ( 0.114 0.000 -16.714) 16.715 15.472 ( 1.960 0.000 -11.695) 11.858 15.839 ( -1.233 0.000 -11.950) 12.014 16.088 ( -13.238 0.000 -0.889) 13.268 16.673 ( 15.186 0.000 5.771) 16.245 17.792 ( -6.905 0.000 2.580) 7.372 24.381 ( 8.532 0.000 -4.105) 9.468 24.441 ( 1.232 0.000 -2.223) 2.541 24.793 ( -1.811 0.000 -1.478) 2.337 24.977 ( 7.261 0.000 -0.978) 7.326 25.443 ( -2.533 0.000 14.661) 14.878 26.867 ( -7.415 0.000 -11.974) 14.084 28.432 ( 0.100 0.000 0.465) 0.475 28.472 ( -0.739 0.000 1.947) 2.083 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 20.105 0.000 16.982) 26.317 2.300 ( 7.776 0.000 22.678) 23.974 3.063 ( 5.413 0.000 12.370) 13.503 3.219 ( -9.988 0.000 3.159) 10.476 3.515 ( -0.204 0.000 9.081) 9.083 4.202 ( 5.309 0.000 1.495) 5.515 5.842 ( -2.261 0.000 -12.405) 12.609 6.340 ( -12.579 0.000 -22.500) 25.778 6.784 ( 17.563 0.000 12.890) 21.786 6.822 ( 5.250 0.000 -9.711) 11.039 7.417 ( -11.369 0.000 -9.065) 14.540 7.641 ( -1.432 0.000 11.862) 11.949 8.061 ( 9.966 0.000 -0.155) 9.967 8.621 ( 12.102 0.000 -0.137) 12.103 8.654 ( -3.745 0.000 3.551) 5.161 8.908 ( 6.662 0.000 -5.948) 8.931 8.945 ( 1.601 0.000 8.976) 9.118 9.017 ( -3.309 0.000 1.536) 3.649 9.231 ( 3.723 0.000 -6.313) 7.329 9.668 ( -1.889 0.000 10.954) 11.116 10.013 ( 12.326 0.000 6.316) 13.850 10.420 ( 5.251 0.000 4.867) 7.160 10.567 ( -5.268 0.000 17.467) 18.244 10.878 ( -6.073 0.000 2.079) 6.419 11.395 ( 6.001 0.000 -3.746) 7.074 11.402 ( -12.237 0.000 5.605) 13.460 11.618 ( -14.676 0.000 -5.456) 15.657 12.132 ( -3.245 0.000 -2.477) 4.082 12.350 ( -14.186 0.000 -10.079) 17.402 12.388 ( 2.375 0.000 15.920) 16.096 12.886 ( -6.081 0.000 -1.261) 6.211 12.916 ( 8.018 0.000 7.624) 11.064 12.983 ( 2.815 0.000 -4.003) 4.894 13.224 ( 1.596 0.000 -2.962) 3.365 13.328 ( 2.423 0.000 1.693) 2.956 13.540 ( 1.246 0.000 4.998) 5.151 13.612 ( 4.051 0.000 3.497) 5.352 13.632 ( 0.685 0.000 0.012) 0.685 13.955 ( 3.592 0.000 2.724) 4.508 14.079 ( 3.470 0.000 -2.324) 4.176 14.350 ( 2.922 0.000 -4.860) 5.670 14.390 ( -7.391 0.000 6.365) 9.754 14.904 ( -1.413 0.000 6.186) 6.346 15.109 ( 4.254 0.000 -2.680) 5.028 15.225 ( -2.053 0.000 -2.959) 3.601 15.336 ( 1.562 0.000 -12.273) 12.372 15.365 ( 2.866 0.000 -15.984) 16.239 15.536 ( 4.472 0.000 -12.551) 13.324 15.807 ( -2.146 0.000 -12.384) 12.568 15.873 ( -9.532 0.000 -5.296) 10.905 16.934 ( 12.170 0.000 7.037) 14.059 17.630 ( -9.309 0.000 4.109) 10.176 24.475 ( 2.389 0.000 -2.121) 3.195 24.562 ( 9.645 0.000 -4.116) 10.486 24.745 ( -3.207 0.000 -1.549) 3.562 25.133 ( 5.064 0.000 0.405) 5.080 25.426 ( 4.564 0.000 9.627) 10.654 26.670 ( -12.940 0.000 -9.255) 15.909 28.435 ( 0.189 0.000 0.340) 0.389 28.458 ( -0.600 0.000 1.722) 1.824 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 11.853 0.000 16.435) 20.263 2.511 ( 15.253 0.000 14.998) 21.391 2.997 ( -13.093 0.000 6.333) 14.544 3.019 ( -9.498 0.000 4.660) 10.580 3.710 ( 17.841 0.000 13.164) 22.172 4.217 ( -4.199 0.000 4.526) 6.174 5.846 ( 2.606 0.000 -16.300) 16.507 6.113 ( -10.884 0.000 -21.426) 24.032 6.936 ( 6.582 0.000 -8.441) 10.704 7.108 ( 16.077 0.000 13.132) 20.759 7.225 ( -9.015 0.000 -9.320) 12.967 7.565 ( -6.867 0.000 11.809) 13.660 8.256 ( 10.242 0.000 5.315) 11.539 8.566 ( -5.597 0.000 6.472) 8.557 8.849 ( 11.710 0.000 1.697) 11.833 8.981 ( 2.154 0.000 5.433) 5.844 9.005 ( 1.428 0.000 -0.657) 1.572 9.006 ( 2.945 0.000 -4.193) 5.123 9.247 ( -0.937 0.000 -2.253) 2.440 9.514 ( -12.357 0.000 10.452) 16.184 10.335 ( 19.937 0.000 1.266) 19.977 10.515 ( 0.501 0.000 12.913) 12.922 10.618 ( 13.840 0.000 4.627) 14.593 10.735 ( -8.300 0.000 2.292) 8.610 11.133 ( -15.715 0.000 5.613) 16.687 11.312 ( -16.928 0.000 -2.998) 17.191 11.564 ( 11.128 0.000 -5.124) 12.251 12.072 ( -14.739 0.000 -8.747) 17.139 12.122 ( 2.486 0.000 -0.716) 2.587 12.367 ( -5.577 0.000 11.738) 12.995 12.823 ( 1.209 0.000 -0.371) 1.265 12.987 ( -2.613 0.000 -1.845) 3.198 13.045 ( 5.692 0.000 3.992) 6.952 13.216 ( -2.425 0.000 -2.622) 3.571 13.398 ( 4.647 0.000 -0.284) 4.656 13.575 ( 3.401 0.000 -1.085) 3.570 13.590 ( -4.326 0.000 -0.543) 4.360 13.703 ( 2.277 0.000 3.477) 4.156 13.995 ( 3.034 0.000 8.902) 9.405 14.174 ( 5.789 0.000 -2.682) 6.380 14.261 ( -6.786 0.000 15.554) 16.970 14.351 ( -2.371 0.000 -4.345) 4.950 14.926 ( 3.766 0.000 1.228) 3.961 15.149 ( -5.558 0.000 -3.402) 6.517 15.207 ( 5.590 0.000 -5.517) 7.854 15.347 ( -0.782 0.000 -10.606) 10.634 15.448 ( 5.711 0.000 -14.197) 15.303 15.623 ( 4.414 0.000 -12.873) 13.609 15.713 ( -7.747 0.000 -8.642) 11.606 15.760 ( -2.819 0.000 -12.781) 13.088 17.137 ( 9.439 0.000 6.967) 11.732 17.458 ( -8.594 0.000 5.051) 9.968 24.530 ( 3.350 0.000 -1.975) 3.889 24.676 ( -3.928 0.000 -1.664) 4.266 24.740 ( 9.219 0.000 -0.336) 9.225 25.082 ( -7.517 0.000 5.713) 9.442 25.679 ( 18.508 0.000 -1.420) 18.562 26.387 ( -16.687 0.000 -6.950) 18.077 28.439 ( 0.268 0.000 0.413) 0.493 28.450 ( -0.319 0.000 1.206) 1.248 ======================= Grid point 193 (65/120) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -13.850 0.000 10.753) 17.534 2.737 ( 13.850 0.000 10.753) 17.534 2.787 ( -13.852 0.000 9.764) 16.948 2.787 ( 13.852 0.000 9.764) 16.948 4.038 ( -14.375 0.000 8.454) 16.677 4.038 ( 14.375 0.000 8.454) 16.677 5.939 ( -7.175 0.000 -19.372) 20.658 5.939 ( 7.175 0.000 -19.372) 20.658 7.069 ( -7.520 0.000 -8.657) 11.467 7.069 ( 7.520 0.000 -8.657) 11.467 7.381 ( -12.330 0.000 12.481) 17.544 7.381 ( 12.330 0.000 12.481) 17.544 8.435 ( -8.291 0.000 7.446) 11.144 8.435 ( 8.291 0.000 7.446) 11.144 9.013 ( -3.344 0.000 -0.363) 3.363 9.013 ( 3.344 0.000 -0.363) 3.363 9.017 ( -1.264 0.000 0.843) 1.519 9.017 ( 1.264 0.000 0.843) 1.519 9.289 ( -8.299 0.000 5.068) 9.724 9.289 ( 8.299 0.000 5.068) 9.724 10.587 ( -6.549 0.000 6.271) 9.067 10.587 ( 6.549 0.000 6.271) 9.067 10.702 ( -15.249 0.000 0.146) 15.250 10.702 ( 15.249 0.000 0.146) 15.250 11.007 ( -12.364 0.000 4.159) 13.045 11.007 ( 12.364 0.000 4.159) 13.045 11.801 ( -13.592 0.000 -6.895) 15.241 11.801 ( 13.592 0.000 -6.895) 15.241 12.223 ( -7.652 0.000 4.113) 8.688 12.223 ( 7.652 0.000 4.113) 8.688 12.902 ( -5.479 0.000 0.000) 5.479 12.902 ( 5.479 0.000 0.000) 5.479 13.143 ( -4.791 0.000 0.304) 4.801 13.143 ( 4.791 0.000 0.304) 4.801 13.494 ( -5.307 0.000 -0.798) 5.366 13.494 ( 5.307 0.000 -0.798) 5.366 13.662 ( -4.838 0.000 -3.098) 5.745 13.662 ( 4.838 0.000 -3.098) 5.745 14.116 ( -8.219 0.000 18.265) 20.029 14.116 ( 8.219 0.000 18.265) 20.029 14.278 ( -4.939 0.000 -3.261) 5.919 14.278 ( 4.939 0.000 -3.261) 5.919 15.030 ( -6.480 0.000 -2.418) 6.916 15.030 ( 6.480 0.000 -2.418) 6.916 15.301 ( -3.935 0.000 -8.397) 9.273 15.301 ( 3.935 0.000 -8.397) 9.273 15.572 ( -7.092 0.000 -11.449) 13.468 15.572 ( 7.092 0.000 -11.449) 13.468 15.699 ( -3.567 0.000 -12.955) 13.437 15.699 ( 3.567 0.000 -12.955) 13.437 17.301 ( -8.161 0.000 6.013) 10.137 17.301 ( 8.161 0.000 6.013) 10.137 24.600 ( -3.931 0.000 -1.813) 4.329 24.600 ( 3.931 0.000 -1.813) 4.329 24.916 ( -9.302 0.000 3.667) 9.999 24.916 ( 9.302 0.000 3.667) 9.999 26.044 ( -19.105 0.000 -4.983) 19.745 26.044 ( 19.105 0.000 -4.983) 19.745 28.445 ( -0.280 0.000 0.718) 0.770 28.445 ( 0.280 0.000 0.718) 0.770 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 8.980 16.654) 18.921 2.230 ( 0.000 5.875 27.206) 27.833 3.115 ( 0.000 13.228 25.821) 29.012 3.354 ( 0.000 -4.972 0.624) 5.011 3.743 ( 0.000 -14.224 -2.786) 14.495 3.810 ( 0.000 7.620 2.172) 7.924 6.113 ( 0.000 6.194 -9.949) 11.719 6.248 ( 0.000 -0.342 12.756) 12.760 6.666 ( 0.000 -0.352 -20.971) 20.974 6.864 ( 0.000 12.273 -10.766) 16.326 7.518 ( 0.000 -20.407 -0.732) 20.420 7.728 ( 0.000 7.858 6.405) 10.138 7.850 ( 0.000 2.546 -2.207) 3.369 8.317 ( 0.000 5.626 -14.088) 15.170 8.629 ( 0.000 -10.707 -0.194) 10.709 8.654 ( 0.000 -14.278 7.662) 16.204 8.887 ( 0.000 13.236 -2.062) 13.395 9.039 ( 0.000 -5.336 -1.558) 5.559 9.372 ( 0.000 1.264 1.307) 1.819 9.506 ( 0.000 11.031 8.296) 13.802 9.961 ( 0.000 7.261 6.382) 9.667 10.253 ( 0.000 -14.550 9.152) 17.189 10.768 ( 0.000 -0.512 19.922) 19.928 10.953 ( 0.000 3.491 1.746) 3.903 11.373 ( 0.000 -3.477 0.961) 3.607 11.678 ( 0.000 1.854 2.559) 3.160 11.880 ( 0.000 -3.026 -5.615) 6.378 11.979 ( 0.000 -14.295 23.264) 27.305 12.403 ( 0.000 -1.880 -15.262) 15.377 12.721 ( 0.000 4.526 -2.463) 5.153 12.755 ( 0.000 2.088 5.879) 6.239 12.797 ( 0.000 -2.035 -8.350) 8.594 12.959 ( 0.000 -0.601 5.444) 5.477 13.286 ( 0.000 -1.969 -0.612) 2.062 13.351 ( 0.000 12.713 0.938) 12.747 13.437 ( 0.000 -2.529 5.527) 6.078 13.532 ( 0.000 -3.611 1.479) 3.902 13.716 ( 0.000 12.472 -3.482) 12.949 13.794 ( 0.000 4.229 5.319) 6.795 14.147 ( 0.000 6.796 0.571) 6.820 14.366 ( 0.000 14.631 -4.916) 15.435 14.618 ( 0.000 1.849 2.647) 3.229 14.953 ( 0.000 -6.351 -0.912) 6.416 15.034 ( 0.000 -3.655 -5.557) 6.651 15.172 ( 0.000 4.502 5.545) 7.142 15.282 ( 0.000 -4.382 -14.162) 14.824 15.328 ( 0.000 3.230 -12.937) 13.334 15.531 ( 0.000 5.334 -12.179) 13.296 15.852 ( 0.000 -0.359 -9.304) 9.311 16.316 ( 0.000 -4.999 3.267) 5.972 16.367 ( 0.000 0.464 0.756) 0.887 17.716 ( 0.000 -12.554 3.849) 13.131 24.318 ( 0.000 2.629 -2.230) 3.447 24.586 ( 0.000 12.112 -3.669) 12.655 24.875 ( 0.000 -2.973 -1.051) 3.154 24.890 ( 0.000 8.244 -2.553) 8.630 25.437 ( 0.000 -3.059 14.721) 15.035 26.818 ( 0.000 -10.825 -11.610) 15.873 28.412 ( 0.000 -1.439 0.151) 1.447 28.469 ( 0.000 -0.991 1.398) 1.713 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.12 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 20.131 7.696 15.741) 26.688 2.255 ( 3.049 5.530 25.326) 26.101 3.125 ( 1.150 13.398 22.769) 26.443 3.281 ( -5.150 -6.741 1.077) 8.552 3.708 ( -4.826 6.345 1.593) 8.130 3.918 ( 9.865 -10.104 0.478) 14.129 6.009 ( -5.998 6.814 -7.433) 11.733 6.395 ( 9.803 -3.255 7.885) 12.995 6.578 ( -7.755 0.963 -19.652) 21.149 6.919 ( 5.531 13.102 -9.720) 17.226 7.477 ( -5.686 -16.358 0.088) 17.318 7.717 ( -1.169 6.060 4.847) 7.848 7.836 ( 1.997 0.127 -2.122) 2.917 8.446 ( 10.610 3.682 -10.966) 15.697 8.584 ( -3.099 -10.606 3.283) 11.527 8.708 ( 3.772 -12.752 4.668) 14.094 8.936 ( 4.489 12.041 -2.759) 13.143 9.052 ( 0.921 -4.954 0.363) 5.052 9.292 ( -2.394 6.489 -0.658) 6.948 9.655 ( 9.512 6.473 9.704) 15.051 9.964 ( 0.950 5.961 5.034) 7.860 10.219 ( -2.884 -14.234 8.328) 16.741 10.715 ( -5.038 0.281 19.690) 20.326 10.962 ( 0.077 2.776 2.685) 3.863 11.314 ( -5.048 -5.104 0.158) 7.180 11.623 ( -4.627 3.514 3.422) 6.743 11.806 ( -7.450 -2.348 -5.329) 9.456 12.032 ( 4.100 -12.695 18.011) 22.413 12.303 ( -7.299 -1.951 -9.021) 11.767 12.662 ( -7.747 2.429 -8.300) 11.611 12.821 ( 5.705 -2.477 -4.270) 7.544 12.846 ( 5.599 3.615 5.441) 8.604 12.943 ( -3.101 -0.836 4.443) 5.482 13.258 ( -1.203 -4.149 2.684) 5.086 13.358 ( 1.282 9.189 0.644) 9.300 13.499 ( 2.837 1.399 2.340) 3.935 13.538 ( 2.355 0.492 3.893) 4.577 13.756 ( 4.438 11.058 -3.079) 12.306 13.828 ( 2.631 1.665 3.537) 4.712 14.190 ( 3.261 8.619 -0.269) 9.219 14.378 ( 1.080 11.387 -5.908) 12.874 14.555 ( -5.544 2.063 2.226) 6.321 14.953 ( -1.825 -3.003 0.500) 3.550 15.004 ( 0.686 -3.091 1.066) 3.341 15.228 ( 3.129 2.027 -0.216) 3.734 15.279 ( 0.323 -4.503 -14.891) 15.561 15.337 ( 0.846 2.754 -13.127) 13.440 15.545 ( 1.574 5.430 -11.909) 13.183 15.828 ( -2.406 -1.502 -9.416) 9.834 16.090 ( -11.121 0.725 -2.084) 11.338 16.623 ( 14.236 -4.185 4.466) 15.496 17.655 ( -6.055 -11.855 4.212) 13.962 24.367 ( 4.449 1.231 -1.760) 4.940 24.605 ( 2.039 10.512 -4.011) 11.434 24.841 ( -2.114 2.809 -0.929) 3.636 24.990 ( 8.799 3.758 -3.349) 10.137 25.411 ( -2.423 -2.982 14.132) 14.645 26.758 ( -6.217 -9.794 -10.789) 15.842 28.412 ( -0.005 -1.554 0.073) 1.555 28.460 ( -0.834 -1.059 1.404) 1.947 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.25 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 20.338 6.975 15.499) 26.505 2.365 ( 8.782 5.836 20.566) 23.111 3.088 ( -6.263 -0.116 6.528) 9.047 3.279 ( 4.628 7.264 10.206) 13.354 3.594 ( -4.651 6.963 7.143) 11.006 4.091 ( 6.798 -9.925 1.909) 12.181 5.930 ( -2.067 7.657 -10.913) 13.491 6.372 ( -10.451 2.067 -19.972) 22.636 6.603 ( 9.208 -6.216 7.153) 13.214 7.063 ( 8.894 11.480 -5.921) 15.683 7.324 ( -8.628 -8.034 0.112) 11.790 7.677 ( -3.189 2.467 3.467) 5.318 7.951 ( 8.752 -5.781 1.999) 10.677 8.499 ( -4.337 -8.304 4.934) 10.588 8.670 ( 10.620 -0.874 -8.271) 13.489 8.777 ( 3.421 -10.187 2.697) 11.079 9.019 ( 3.548 7.706 -0.435) 8.495 9.073 ( 1.993 2.608 2.735) 4.273 9.320 ( 3.437 5.762 -4.552) 8.108 9.748 ( -1.647 5.091 14.462) 15.420 10.048 ( 8.809 3.418 -0.644) 9.470 10.211 ( 4.372 -14.690 6.382) 16.603 10.602 ( -6.149 -0.264 18.082) 19.101 10.924 ( -4.131 3.759 3.006) 6.343 11.206 ( -6.900 -9.095 2.098) 11.607 11.555 ( -3.736 5.006 -0.460) 6.263 11.625 ( -8.061 2.932 -3.738) 9.357 12.076 ( -0.062 -6.304 4.530) 7.763 12.203 ( -3.503 -5.706 1.494) 6.860 12.503 ( -7.516 4.539 -3.392) 9.412 12.802 ( -8.314 -5.710 0.170) 10.087 12.898 ( 0.806 -4.373 1.288) 4.630 12.981 ( 6.507 3.395 2.991) 7.926 13.272 ( 0.949 -3.224 -3.053) 4.541 13.374 ( 1.601 6.328 3.390) 7.355 13.523 ( 1.496 0.997 0.430) 1.848 13.643 ( 6.061 6.292 7.769) 11.691 13.809 ( 0.454 9.904 -0.961) 9.961 13.921 ( 7.329 0.030 1.894) 7.570 14.200 ( -3.431 7.917 -3.695) 9.386 14.389 ( -0.037 4.270 -2.726) 5.066 14.472 ( -2.347 6.833 4.586) 8.557 14.909 ( -1.354 -0.032 4.624) 4.819 15.070 ( 5.328 -3.013 -3.065) 6.845 15.229 ( -2.227 -0.238 -2.168) 3.117 15.324 ( 3.486 -2.438 -13.786) 14.427 15.357 ( 1.226 1.714 -13.864) 14.023 15.590 ( 2.859 4.260 -11.961) 13.015 15.764 ( -4.090 -3.122 -9.578) 10.873 15.924 ( -6.597 4.014 -6.935) 10.379 16.870 ( 11.574 -5.637 5.692) 14.076 17.512 ( -8.316 -10.393 4.544) 14.065 24.459 ( 4.755 0.476 -0.196) 4.783 24.663 ( 3.885 6.380 -2.947) 8.030 24.794 ( -2.661 3.663 -0.965) 4.629 25.157 ( 3.779 2.858 -0.357) 4.751 25.406 ( 6.449 -1.474 7.023) 9.648 26.590 ( -11.237 -7.289 -9.122) 16.205 28.413 ( 0.074 -1.809 -0.042) 1.811 28.443 ( -0.814 -1.317 1.193) 1.955 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.38 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 11.629 5.678 16.607) 21.054 2.599 ( 15.528 8.118 12.819) 21.711 2.942 ( -8.468 -0.085 7.492) 11.307 3.204 ( -12.522 11.647 4.997) 17.816 3.716 ( 15.368 0.530 11.565) 19.241 4.140 ( -2.231 -6.927 4.180) 8.392 5.933 ( 2.354 7.607 -14.661) 16.684 6.175 ( -9.696 5.098 -19.638) 22.487 6.777 ( 9.054 -8.549 4.760) 13.331 7.109 ( -7.258 -7.369 -2.529) 10.648 7.296 ( 8.311 8.914 1.986) 12.348 7.594 ( -5.622 1.721 3.759) 6.979 8.128 ( 9.192 -8.733 4.833) 13.569 8.405 ( -5.519 -9.249 5.737) 12.203 8.833 ( 5.093 -6.244 -1.286) 8.160 8.847 ( 4.590 -6.237 -5.167) 9.309 9.085 ( 3.671 5.810 3.657) 7.785 9.115 ( 1.684 6.466 3.145) 7.385 9.367 ( 1.943 8.976 -1.487) 9.304 9.624 ( -9.425 6.643 10.248) 15.427 10.267 ( 12.657 -4.402 -2.785) 13.687 10.381 ( 11.450 -13.071 4.334) 17.909 10.507 ( -3.559 -5.394 11.114) 12.856 10.824 ( -6.692 1.539 2.884) 7.447 11.058 ( -6.181 -1.329 6.568) 9.117 11.333 ( -14.083 2.943 -0.918) 14.417 11.687 ( 8.850 8.689 -2.815) 12.718 12.081 ( -1.803 -0.095 -1.203) 2.169 12.092 ( -4.805 -3.290 -1.578) 6.033 12.369 ( -8.680 1.234 7.097) 11.280 12.701 ( 0.074 -8.223 -0.194) 8.225 12.868 ( -3.721 -7.241 2.582) 8.541 13.087 ( 4.829 1.060 -1.090) 5.063 13.247 ( -3.113 -0.055 -4.448) 5.429 13.443 ( 4.717 4.078 2.788) 6.830 13.558 ( 1.067 1.572 -2.322) 3.000 13.698 ( 0.924 5.263 3.982) 6.664 13.827 ( -0.194 9.358 1.816) 9.534 14.056 ( 6.198 3.011 5.400) 8.755 14.129 ( -0.998 3.647 0.862) 3.878 14.371 ( -2.004 2.949 0.335) 3.582 14.424 ( -3.581 9.117 8.275) 12.823 14.929 ( 3.706 0.070 0.617) 3.758 15.143 ( -3.762 -0.667 -3.264) 5.025 15.202 ( 4.975 -0.308 -5.359) 7.319 15.356 ( -0.941 0.656 -9.027) 9.100 15.415 ( 5.193 -2.197 -16.190) 17.143 15.617 ( -2.184 -1.945 -12.339) 12.681 15.706 ( 0.083 1.971 -10.267) 10.455 15.825 ( -4.220 4.520 -10.021) 11.775 17.063 ( 8.865 -6.654 5.632) 12.433 17.357 ( -7.749 -8.953 4.529) 12.678 24.544 ( 4.289 1.488 0.407) 4.558 24.694 ( -2.528 2.333 0.126) 3.442 24.801 ( 5.309 3.951 -0.379) 6.628 25.089 ( -7.381 0.581 5.971) 9.512 25.677 ( 18.121 0.184 -4.053) 18.569 26.339 ( -15.053 -4.365 -7.709) 17.466 28.416 ( 0.250 -1.994 0.006) 2.010 28.431 ( -0.538 -1.684 0.724) 1.910 ======================= Grid point 202 (70/120) ======================= q-point: (-0.50 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -8.662 2.816 11.624) 14.767 2.757 ( 8.662 2.816 11.624) 14.767 2.919 ( -15.473 10.542 9.050) 20.796 2.919 ( 15.473 10.542 9.050) 20.796 4.000 ( -12.221 -3.403 7.381) 14.677 4.000 ( 12.221 -3.403 7.381) 14.677 6.018 ( -6.536 6.794 -17.676) 20.033 6.018 ( 6.536 6.794 -17.676) 20.033 6.948 ( -8.893 -8.522 1.205) 12.376 6.948 ( 8.893 -8.522 1.205) 12.376 7.463 ( -8.113 4.855 3.333) 10.025 7.463 ( 8.113 4.855 3.333) 10.025 8.285 ( -7.258 -9.767 5.905) 13.525 8.285 ( 7.258 -9.767 5.905) 13.525 8.889 ( -0.986 -7.159 -3.508) 8.033 8.889 ( 0.986 -7.159 -3.508) 8.033 9.130 ( -0.445 5.847 4.456) 7.365 9.130 ( 0.445 5.847 4.456) 7.365 9.450 ( -7.582 10.879 4.416) 13.977 9.450 ( 7.582 10.879 4.416) 13.977 10.440 ( -4.945 -12.130 1.363) 13.170 10.440 ( 4.945 -12.130 1.363) 13.170 10.623 ( -13.539 -6.262 2.001) 15.051 10.623 ( 13.539 -6.262 2.001) 15.051 11.093 ( -9.486 7.812 6.201) 13.765 11.093 ( 9.486 7.812 6.201) 13.765 11.887 ( -11.300 6.201 -4.756) 13.739 11.887 ( 11.300 6.201 -4.756) 13.739 12.189 ( -8.403 -2.580 4.103) 9.700 12.189 ( 8.403 -2.580 4.103) 9.700 12.773 ( -5.599 -8.556 1.764) 10.376 12.773 ( 5.599 -8.556 1.764) 10.376 13.173 ( -4.338 0.610 -2.823) 5.212 13.173 ( 4.338 0.610 -2.823) 5.212 13.527 ( -3.716 2.686 0.323) 4.596 13.527 ( 3.716 2.686 0.323) 4.596 13.759 ( -5.045 6.446 -0.784) 8.223 13.759 ( 5.045 6.446 -0.784) 8.223 14.139 ( -1.399 3.953 8.286) 9.287 14.139 ( 1.399 3.953 8.286) 9.287 14.355 ( -1.932 5.895 4.712) 7.790 14.355 ( 1.932 5.895 4.712) 7.790 15.033 ( -6.418 0.165 -2.404) 6.856 15.033 ( 6.418 0.165 -2.404) 6.856 15.304 ( -4.405 0.350 -7.918) 9.068 15.304 ( 4.405 0.350 -7.918) 9.068 15.524 ( -5.968 -3.312 -13.339) 14.984 15.524 ( 5.968 -3.312 -13.339) 14.984 15.753 ( -3.428 4.055 -11.049) 12.259 15.753 ( 3.428 4.055 -11.049) 12.259 17.215 ( -7.463 -7.713 4.918) 11.805 17.215 ( 7.463 -7.713 4.918) 11.805 24.624 ( -4.126 2.207 0.229) 4.685 24.624 ( 4.126 2.207 0.229) 4.685 24.936 ( -8.103 1.525 3.734) 9.051 24.936 ( 8.103 1.525 3.734) 9.051 26.025 ( -17.805 -1.692 -6.520) 19.036 26.025 ( 17.805 -1.692 -6.520) 19.036 28.422 ( -0.395 -1.954 0.274) 2.012 28.422 ( 0.395 -1.954 0.274) 2.012 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 0.000 16.729 10.871) 19.951 2.408 ( 0.000 10.653 20.187) 22.825 3.181 ( 0.000 -8.554 0.487) 8.568 3.340 ( 0.000 -22.232 -1.279) 22.269 3.504 ( 0.000 18.569 20.176) 27.421 3.977 ( 0.000 6.504 5.153) 8.298 6.272 ( 0.000 2.863 12.523) 12.846 6.279 ( 0.000 8.574 -9.187) 12.566 6.642 ( 0.000 -2.009 -17.456) 17.572 7.019 ( 0.000 -16.218 3.515) 16.594 7.228 ( 0.000 12.267 -6.448) 13.859 7.851 ( 0.000 3.372 -7.171) 7.924 8.051 ( 0.000 16.377 7.486) 18.007 8.301 ( 0.000 -12.132 -5.774) 13.436 8.367 ( 0.000 -12.473 2.691) 12.760 8.485 ( 0.000 3.208 -8.284) 8.883 8.861 ( 0.000 -8.445 -6.282) 10.526 9.216 ( 0.000 15.082 0.976) 15.113 9.382 ( 0.000 -4.179 -1.884) 4.584 9.691 ( 0.000 4.860 8.149) 9.489 9.832 ( 0.000 -12.295 11.999) 17.180 10.229 ( 0.000 7.507 5.310) 9.195 10.674 ( 0.000 -5.992 18.829) 19.760 11.053 ( 0.000 5.798 5.565) 8.037 11.240 ( 0.000 -8.489 3.447) 9.162 11.674 ( 0.000 -13.596 20.083) 24.252 11.742 ( 0.000 3.233 3.710) 4.921 11.839 ( 0.000 -0.622 -7.713) 7.739 12.388 ( 0.000 0.931 -11.395) 11.433 12.699 ( 0.000 -6.151 -6.763) 9.142 12.746 ( 0.000 1.510 -5.924) 6.113 12.837 ( 0.000 3.231 -1.433) 3.535 12.984 ( 0.000 0.923 9.892) 9.935 13.184 ( 0.000 -5.293 5.391) 7.555 13.386 ( 0.000 -2.174 4.623) 5.108 13.440 ( 0.000 -4.103 1.362) 4.323 13.675 ( 0.000 14.674 3.630) 15.117 13.926 ( 0.000 7.403 6.237) 9.680 14.050 ( 0.000 16.387 -6.632) 17.679 14.356 ( 0.000 12.468 0.358) 12.473 14.639 ( 0.000 -0.593 0.602) 0.845 14.703 ( 0.000 15.435 -9.581) 18.167 14.795 ( 0.000 -7.484 -2.833) 8.003 14.915 ( 0.000 -7.109 -5.475) 8.973 15.160 ( 0.000 -7.332 -10.024) 12.419 15.262 ( 0.000 2.117 -5.280) 5.688 15.421 ( 0.000 5.569 -4.912) 7.426 15.657 ( 0.000 6.356 -11.827) 13.427 15.809 ( 0.000 -4.097 -2.953) 5.051 16.169 ( 0.000 -8.299 -0.616) 8.322 16.440 ( 0.000 7.254 -0.538) 7.274 17.384 ( 0.000 -17.265 6.181) 18.338 24.399 ( 0.000 4.843 -2.076) 5.270 24.785 ( 0.000 -5.272 -1.259) 5.420 24.820 ( 0.000 9.185 1.133) 9.255 25.197 ( 0.000 18.448 -8.746) 20.417 25.344 ( 0.000 -4.696 13.132) 13.946 26.508 ( 0.000 -17.349 -9.325) 19.696 28.386 ( 0.000 -0.728 -0.819) 1.096 28.441 ( 0.000 -1.517 0.229) 1.534 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.12 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 17.203 14.502 11.623) 25.325 2.431 ( 3.138 10.842 18.085) 21.317 3.093 ( -5.105 -10.597 2.400) 12.005 3.440 ( 4.242 4.736 8.810) 10.864 3.590 ( 10.298 -4.656 8.311) 14.028 3.921 ( -5.811 6.441 5.689) 10.374 6.183 ( -4.007 8.559 -2.725) 9.836 6.375 ( 4.508 1.836 4.988) 6.969 6.584 ( -4.794 -0.839 -15.465) 16.213 7.035 ( 0.599 -17.417 4.883) 18.098 7.271 ( 4.266 13.947 -7.316) 16.317 7.789 ( -5.090 1.618 -6.840) 8.678 8.020 ( -2.116 15.465 5.321) 16.492 8.329 ( -0.642 -11.939 2.440) 12.202 8.419 ( 7.000 -11.730 -4.050) 14.247 8.540 ( 5.023 2.415 -7.810) 9.595 8.906 ( 4.702 -7.359 -4.675) 9.906 9.224 ( 0.891 13.551 1.027) 13.619 9.379 ( 0.296 -0.502 -2.499) 2.566 9.722 ( 0.977 -12.632 5.743) 13.911 9.830 ( 1.815 1.081 13.816) 13.977 10.228 ( 0.100 8.150 3.751) 8.972 10.630 ( -4.490 -6.245 18.187) 19.746 11.052 ( -0.897 4.714 6.376) 7.980 11.167 ( -6.090 -7.216 3.132) 9.948 11.694 ( 0.379 -3.543 11.676) 12.208 11.762 ( 1.727 -3.296 11.051) 11.661 11.791 ( -2.952 -1.638 -8.183) 8.852 12.306 ( -6.913 2.147 -8.507) 11.170 12.631 ( -5.385 -4.453 -6.891) 9.814 12.777 ( 1.779 -0.776 -2.990) 3.565 12.865 ( -1.520 -0.942 -4.612) 4.947 12.987 ( 1.703 2.740 11.535) 11.978 13.179 ( 1.240 -2.919 2.725) 4.181 13.389 ( -0.042 -1.327 3.092) 3.365 13.468 ( 2.932 -3.794 1.913) 5.163 13.751 ( 6.739 13.119 6.099) 15.960 13.914 ( -1.025 6.885 5.153) 8.661 14.059 ( 1.150 14.536 -5.534) 15.596 14.394 ( 1.732 10.238 -2.060) 10.586 14.574 ( -4.843 1.462 -0.041) 5.059 14.662 ( -2.314 9.709 -5.041) 11.182 14.853 ( 3.512 -3.437 -5.247) 7.189 14.928 ( 1.756 -4.267 -1.524) 4.859 15.155 ( -0.114 -7.009 -10.325) 12.480 15.285 ( 2.121 1.680 -5.590) 6.211 15.411 ( -0.837 4.261 -8.045) 9.142 15.674 ( 0.831 5.632 -10.354) 11.816 15.762 ( -3.378 -3.673 -4.905) 6.997 16.117 ( -4.279 0.150 -2.105) 4.771 16.545 ( 8.956 -0.713 0.703) 9.012 17.337 ( -4.611 -16.618 5.666) 18.153 24.431 ( 3.153 4.453 -0.985) 5.545 24.774 ( -0.140 0.891 -0.307) 0.953 24.844 ( 1.026 3.107 1.564) 3.626 25.252 ( 5.592 18.158 -10.303) 21.613 25.317 ( -2.373 -5.658 12.817) 14.210 26.474 ( -3.585 -16.072 -9.372) 18.947 28.382 ( -0.381 -0.944 -0.876) 1.343 28.431 ( -1.021 -1.573 0.206) 1.887 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.25 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 16.539 8.872 15.896) 24.596 2.567 ( 12.239 13.725 11.782) 21.840 3.020 ( -2.791 -5.532 6.632) 9.076 3.515 ( 4.769 12.006 9.649) 16.125 3.765 ( -9.882 6.101 7.427) 13.786 3.811 ( 10.632 -13.416 2.084) 17.244 6.130 ( -1.478 9.955 -7.039) 12.281 6.391 ( -4.092 0.367 -7.968) 8.965 6.546 ( 2.692 -0.514 2.198) 3.513 7.009 ( -3.566 -14.911 7.235) 16.952 7.370 ( 5.585 12.388 -7.011) 15.291 7.695 ( -4.547 0.182 -5.877) 7.433 8.007 ( 1.206 11.061 3.513) 11.668 8.294 ( -2.688 -9.920 2.948) 10.692 8.554 ( 6.142 -11.171 -2.688) 13.028 8.644 ( 5.172 -1.387 -9.008) 10.480 9.033 ( 8.214 -2.971 1.268) 8.827 9.244 ( 0.990 9.565 1.687) 9.763 9.410 ( 2.943 2.205 -4.669) 5.944 9.689 ( -2.570 -18.221 4.666) 18.984 9.942 ( 8.350 2.882 13.442) 16.084 10.238 ( 0.909 8.278 -1.420) 8.448 10.511 ( -7.644 -6.793 15.058) 18.202 10.942 ( -10.161 -6.136 2.390) 12.109 11.119 ( 1.325 4.905 8.340) 9.766 11.621 ( -8.082 3.423 1.938) 8.988 11.751 ( 2.967 5.195 -0.505) 6.004 11.861 ( 4.769 -11.071 9.704) 15.475 12.181 ( -5.364 2.383 -3.364) 6.765 12.531 ( -4.670 -2.222 -5.414) 7.487 12.711 ( -10.158 -2.446 1.525) 10.559 12.796 ( -2.401 -4.445 2.790) 5.771 13.050 ( 2.961 3.195 0.949) 4.458 13.221 ( 2.123 -1.481 -4.629) 5.303 13.420 ( 3.495 -0.224 5.470) 6.495 13.522 ( 2.668 -2.083 0.665) 3.449 13.849 ( 0.144 9.740 6.898) 11.936 13.920 ( 3.685 3.882 7.099) 8.891 14.105 ( 4.053 13.198 -5.122) 14.726 14.340 ( -5.296 4.582 -1.968) 7.274 14.519 ( -3.017 6.562 0.116) 7.224 14.644 ( 0.555 8.136 0.247) 8.159 14.878 ( 0.238 -2.843 0.073) 2.854 15.019 ( 6.992 -1.085 -4.783) 8.540 15.163 ( 0.845 -5.048 -7.669) 9.220 15.326 ( 1.804 1.805 -7.192) 7.631 15.400 ( -0.070 1.969 -12.676) 12.828 15.632 ( -4.356 -3.510 -9.264) 10.822 15.755 ( 1.860 5.458 -8.248) 10.063 16.028 ( -4.926 4.925 -4.178) 8.123 16.723 ( 9.081 -6.654 1.536) 11.362 17.228 ( -6.435 -15.100 4.138) 16.928 24.508 ( 4.667 3.911 1.468) 6.264 24.790 ( 1.762 3.547 1.070) 4.103 24.836 ( -1.774 1.601 2.416) 3.398 25.221 ( -5.792 -0.890 9.502) 11.164 25.446 ( 12.590 8.931 -9.916) 18.346 26.373 ( -6.997 -12.548 -9.566) 17.261 28.374 ( -0.439 -1.479 -0.961) 1.817 28.408 ( -1.241 -1.816 0.004) 2.200 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.38 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 11.405 6.677 14.964) 19.964 2.823 ( 11.122 11.921 10.592) 19.442 2.986 ( 0.451 3.442 11.007) 11.541 3.465 ( -13.420 11.121 6.621) 18.645 3.729 ( 9.071 0.263 7.296) 11.644 3.945 ( 2.731 -9.990 1.789) 10.510 6.130 ( 1.509 9.624 -10.418) 14.263 6.285 ( -5.892 4.273 -13.647) 15.466 6.639 ( 6.193 -4.373 10.338) 12.820 6.907 ( -6.754 -10.729 9.114) 15.613 7.468 ( 4.566 7.674 -5.358) 10.414 7.616 ( -3.870 1.080 -4.973) 6.393 8.062 ( 4.151 4.353 3.077) 6.756 8.231 ( -3.860 -6.725 2.719) 8.216 8.648 ( 3.905 -10.949 -3.285) 12.080 8.711 ( 1.530 -7.096 -8.204) 10.954 9.182 ( 6.178 3.775 6.769) 9.911 9.257 ( 0.248 6.017 3.345) 6.889 9.493 ( 6.068 0.360 -2.933) 6.749 9.665 ( -0.261 -4.055 2.890) 4.987 10.079 ( 4.333 -9.683 9.018) 13.924 10.255 ( -1.344 0.597 -3.719) 3.999 10.385 ( -1.442 -3.506 6.104) 7.186 10.731 ( -11.416 -6.970 0.839) 13.402 11.183 ( 5.233 10.068 11.453) 16.122 11.457 ( -8.537 8.112 4.501) 12.607 11.846 ( 6.247 4.176 -1.239) 7.615 11.933 ( 2.792 -9.583 4.760) 11.058 12.115 ( -1.253 3.188 0.858) 3.531 12.421 ( -10.685 3.013 2.190) 11.316 12.549 ( -1.745 -5.805 0.239) 6.067 12.720 ( -5.480 -6.111 4.509) 9.366 13.095 ( 2.491 0.337 -5.681) 6.212 13.225 ( -2.120 -1.530 -6.907) 7.385 13.501 ( 4.416 0.988 5.120) 6.833 13.571 ( 1.953 -1.078 -0.962) 2.430 13.823 ( -0.480 6.011 5.592) 8.224 13.950 ( -2.500 2.062 6.484) 7.248 14.196 ( 4.799 11.062 -2.687) 12.354 14.317 ( 3.812 9.250 3.777) 10.694 14.436 ( -4.429 3.755 1.456) 5.986 14.616 ( -4.648 7.165 5.986) 10.430 14.922 ( 4.835 -0.454 -1.192) 5.000 15.108 ( -0.742 -2.929 -3.546) 4.658 15.207 ( 5.637 1.274 -6.174) 8.457 15.359 ( 1.525 0.202 -8.470) 8.609 15.404 ( 0.482 0.960 -15.080) 15.118 15.546 ( -4.650 -4.245 -12.053) 13.598 15.797 ( 2.554 5.980 -8.040) 10.340 15.936 ( -4.632 5.538 -6.147) 9.482 16.878 ( 7.149 -9.567 1.443) 12.029 17.108 ( -5.958 -13.333 2.278) 14.780 24.601 ( 4.943 3.799 3.379) 7.091 24.773 ( -3.727 4.490 3.429) 6.768 24.855 ( 4.313 0.867 2.609) 5.114 25.094 ( -7.186 -0.717 8.147) 10.887 25.712 ( 14.708 3.734 -10.853) 18.656 26.208 ( -10.339 -7.566 -9.967) 16.232 28.369 ( -0.052 -2.040 -0.940) 2.247 28.387 ( -0.950 -2.163 -0.395) 2.395 ======================= Grid point 211 (75/120) ======================= q-point: (-0.50 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -4.811 5.991 12.781) 14.913 2.855 ( 4.811 5.991 12.781) 14.913 3.171 ( -15.701 11.305 9.810) 21.692 3.171 ( 15.701 11.305 9.810) 21.692 3.904 ( -6.825 -5.112 3.341) 9.158 3.904 ( 6.825 -5.112 3.341) 9.158 6.186 ( -4.259 7.644 -12.861) 15.555 6.186 ( 4.259 7.644 -12.861) 15.555 6.770 ( -7.348 -7.624 10.642) 15.013 6.770 ( 7.348 -7.624 10.642) 15.013 7.545 ( -3.717 3.683 -4.601) 6.968 7.545 ( 3.717 3.683 -4.601) 6.968 8.149 ( -4.673 -1.967 2.899) 5.840 8.149 ( 4.673 -1.967 2.899) 5.840 8.704 ( -1.928 -10.582 -5.625) 12.138 8.704 ( 1.928 -10.582 -5.625) 12.138 9.249 ( -1.400 5.127 5.513) 7.658 9.249 ( 1.400 5.127 5.513) 7.658 9.621 ( -5.598 3.676 2.715) 7.227 9.621 ( 5.598 3.676 2.715) 7.227 10.149 ( -5.498 -13.098 -0.222) 14.207 10.149 ( 5.498 -13.098 -0.222) 14.207 10.518 ( -10.767 -2.308 0.798) 11.040 10.518 ( 10.767 -2.308 0.798) 11.040 11.306 ( -7.353 11.234 9.555) 16.480 11.306 ( 7.353 11.234 9.555) 16.480 11.941 ( -2.766 -3.684 -0.308) 4.617 11.941 ( 2.766 -3.684 -0.308) 4.617 12.193 ( -10.149 4.907 3.352) 11.761 12.193 ( 10.149 4.907 3.352) 11.761 12.608 ( -5.657 -6.637 2.758) 9.146 12.608 ( 5.657 -6.637 2.758) 9.146 13.158 ( -4.032 -1.453 -6.996) 8.204 13.158 ( 4.032 -1.453 -6.996) 8.204 13.569 ( -2.238 0.544 1.559) 2.782 13.569 ( 2.238 0.544 1.559) 2.782 13.866 ( -4.566 3.792 4.761) 7.609 13.866 ( 4.566 3.792 4.761) 7.609 14.296 ( -5.502 8.879 0.358) 10.452 14.296 ( 5.502 8.879 0.358) 10.452 14.488 ( -7.780 5.716 7.671) 12.331 14.488 ( 7.780 5.716 7.671) 12.331 15.032 ( -5.794 -0.235 -2.622) 6.364 15.032 ( 5.794 -0.235 -2.622) 6.364 15.321 ( -4.984 1.253 -6.174) 8.033 15.321 ( 4.984 1.253 -6.174) 8.033 15.458 ( -4.389 -2.515 -15.310) 16.124 15.458 ( 4.389 -2.515 -15.310) 16.124 15.856 ( -3.709 5.441 -7.399) 9.905 15.856 ( 3.709 5.441 -7.399) 9.905 16.999 ( -5.796 -11.539 1.335) 12.982 16.999 ( 5.796 -11.539 1.335) 12.982 24.692 ( -4.625 4.006 3.766) 7.185 24.692 ( 4.625 4.006 3.766) 7.185 24.961 ( -6.562 0.326 5.504) 8.571 24.961 ( 6.562 0.326 5.504) 8.571 25.982 ( -13.314 -1.974 -10.510) 17.077 25.982 ( 13.314 -1.974 -10.510) 17.077 28.373 ( -0.496 -2.304 -0.755) 2.474 28.373 ( 0.496 -2.304 -0.755) 2.474 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 0.000 22.140 5.235) 22.750 2.672 ( 0.000 13.441 11.429) 17.643 2.833 ( 0.000 -24.322 1.214) 24.352 2.954 ( 0.000 -12.296 4.342) 13.041 3.863 ( 0.000 13.244 14.203) 19.420 4.032 ( 0.000 -2.317 9.141) 9.430 6.387 ( 0.000 8.306 12.233) 14.786 6.452 ( 0.000 7.123 -10.444) 12.642 6.575 ( 0.000 -4.350 -13.684) 14.359 6.640 ( 0.000 -15.398 10.054) 18.390 7.591 ( 0.000 18.192 -6.870) 19.446 7.943 ( 0.000 5.871 -2.901) 6.549 7.975 ( 0.000 -17.147 -4.413) 17.706 8.112 ( 0.000 -9.817 0.035) 9.817 8.496 ( 0.000 23.372 3.821) 23.682 8.590 ( 0.000 5.308 -12.164) 13.271 8.707 ( 0.000 -5.936 -10.978) 12.480 9.025 ( 0.000 -24.476 -0.853) 24.491 9.510 ( 0.000 11.770 3.661) 12.327 9.692 ( 0.000 -4.678 6.112) 7.696 9.861 ( 0.000 11.297 13.501) 17.604 10.154 ( 0.000 -13.206 11.916) 17.787 10.742 ( 0.000 11.644 7.520) 13.862 11.015 ( 0.000 -12.285 4.331) 13.027 11.202 ( 0.000 8.225 10.870) 13.630 11.409 ( 0.000 -11.058 16.012) 19.460 11.800 ( 0.000 2.156 1.775) 2.793 11.831 ( 0.000 -0.693 -2.520) 2.614 12.447 ( 0.000 4.408 -8.639) 9.699 12.563 ( 0.000 -6.173 -7.236) 9.512 12.804 ( 0.000 3.655 -6.676) 7.611 12.871 ( 0.000 -1.264 -8.936) 9.025 12.997 ( 0.000 2.092 12.197) 12.375 13.078 ( 0.000 -4.588 8.672) 9.811 13.354 ( 0.000 -0.475 3.085) 3.122 13.372 ( 0.000 -2.117 1.984) 2.902 13.942 ( 0.000 9.625 7.246) 12.048 14.042 ( 0.000 1.274 8.898) 8.988 14.364 ( 0.000 12.366 -5.081) 13.369 14.566 ( 0.000 -6.401 -2.254) 6.787 14.644 ( 0.000 9.903 3.592) 10.535 14.696 ( 0.000 2.882 -7.881) 8.391 14.755 ( 0.000 -6.392 -6.984) 9.467 14.957 ( 0.000 -11.695 -6.123) 13.201 15.006 ( 0.000 12.528 -11.800) 17.210 15.216 ( 0.000 -6.428 -12.221) 13.808 15.557 ( 0.000 6.535 -0.262) 6.540 15.692 ( 0.000 -6.134 0.401) 6.148 15.805 ( 0.000 7.534 -10.012) 12.530 15.981 ( 0.000 -8.815 -5.900) 10.607 16.675 ( 0.000 14.024 1.784) 14.137 17.012 ( 0.000 -16.979 5.073) 17.720 24.520 ( 0.000 6.222 -1.836) 6.487 24.657 ( 0.000 -6.412 -1.543) 6.595 25.007 ( 0.000 8.556 6.088) 10.501 25.185 ( 0.000 -7.782 9.528) 12.302 25.657 ( 0.000 21.259 -9.669) 23.354 26.102 ( 0.000 -20.124 -9.176) 22.118 28.385 ( 0.000 0.612 -1.315) 1.450 28.409 ( 0.000 -1.434 -0.874) 1.680 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.12 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 9.830 16.979 8.438) 21.357 2.687 ( 3.272 7.219 7.504) 10.915 2.849 ( 3.517 -6.465 6.721) 9.967 3.120 ( 13.657 -18.479 1.730) 23.043 3.841 ( -2.093 11.880 13.085) 17.797 3.987 ( -4.583 -1.454 8.714) 9.952 6.361 ( -2.053 8.513 2.153) 9.018 6.464 ( -0.072 5.106 -1.603) 5.352 6.532 ( -2.268 -3.745 -8.383) 9.457 6.671 ( 1.958 -13.865 8.818) 16.548 7.617 ( 2.166 15.980 -7.734) 17.885 7.822 ( -6.002 -0.415 -4.464) 7.492 8.099 ( 3.211 -7.763 -1.216) 8.488 8.138 ( 5.284 -10.367 -1.902) 11.791 8.438 ( -4.404 19.215 -0.049) 19.714 8.602 ( 0.541 2.087 -10.443) 10.663 8.791 ( 7.884 -1.668 -7.016) 10.685 9.060 ( 4.098 -22.953 -1.434) 23.360 9.483 ( -2.701 9.778 3.339) 10.680 9.606 ( -6.674 -1.387 5.792) 8.945 9.945 ( 6.496 8.122 12.846) 16.528 10.179 ( 2.608 -11.469 11.237) 16.267 10.683 ( -5.958 10.878 5.526) 13.578 10.936 ( -7.602 -11.222 3.130) 13.911 11.231 ( 2.776 8.920 12.065) 15.259 11.456 ( 4.464 -11.782 16.534) 20.788 11.803 ( 0.353 1.664 1.203) 2.083 11.808 ( -2.211 1.025 -2.535) 3.517 12.387 ( -5.455 5.077 -7.115) 10.303 12.510 ( -4.512 -6.162 -6.018) 9.724 12.789 ( -2.023 1.581 -2.980) 3.933 12.831 ( -5.084 -2.051 -4.294) 6.964 13.046 ( 4.690 3.151 7.699) 9.550 13.117 ( 3.943 -3.179 4.016) 6.464 13.369 ( 1.055 -0.160 1.925) 2.201 13.394 ( 2.744 -2.552 1.646) 4.093 13.981 ( 3.182 7.776 8.915) 12.250 14.041 ( -0.792 2.785 9.175) 9.621 14.333 ( -1.889 9.943 -4.068) 10.908 14.477 ( -6.016 -3.794 -2.897) 7.680 14.685 ( -1.604 6.414 -7.683) 10.136 14.721 ( 5.302 5.281 2.964) 8.049 14.780 ( 1.431 -5.877 -6.212) 8.671 14.937 ( -0.494 -6.631 -5.417) 8.577 15.053 ( 4.092 7.320 -11.254) 14.035 15.239 ( 2.479 -6.287 -11.745) 13.551 15.518 ( -3.287 5.241 -3.486) 7.101 15.629 ( -5.070 -5.250 -2.718) 7.789 15.853 ( 3.802 8.036 -7.684) 11.750 16.029 ( 3.331 -7.573 -3.492) 8.980 16.671 ( -0.133 11.626 0.642) 11.644 16.980 ( -3.192 -16.212 4.065) 17.016 24.546 ( 2.680 6.060 -0.611) 6.654 24.680 ( 2.211 -6.078 -0.348) 6.477 24.998 ( -0.995 8.188 6.230) 10.337 25.171 ( -1.539 -7.671 9.847) 12.577 25.673 ( 1.911 20.131 -11.000) 23.020 26.094 ( -0.824 -18.954 -9.815) 21.360 28.377 ( -0.821 0.438 -1.378) 1.663 28.398 ( -1.061 -1.380 -0.929) 1.973 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.25 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 10.531 9.135 13.358) 19.308 2.808 ( 7.714 -3.513 8.745) 12.179 2.988 ( 10.876 14.190 6.859) 19.149 3.387 ( 12.677 -18.981 3.089) 23.034 3.792 ( -2.972 8.041 9.110) 12.509 3.874 ( -6.341 0.886 6.151) 8.879 6.323 ( -1.735 7.630 -4.607) 9.080 6.414 ( -3.877 0.233 -7.200) 8.181 6.539 ( 1.895 1.381 7.107) 7.484 6.696 ( 0.439 -12.478 11.806) 17.184 7.648 ( 0.637 11.177 -8.702) 14.179 7.731 ( -3.661 2.074 -5.406) 6.850 8.122 ( 0.950 -2.761 -0.663) 2.994 8.247 ( 3.984 -7.487 -2.279) 8.782 8.365 ( -2.755 10.088 -2.801) 10.826 8.590 ( -2.140 -5.254 -8.543) 10.255 8.994 ( 13.505 1.634 -0.989) 13.640 9.202 ( 11.151 -17.664 -1.837) 20.969 9.418 ( -3.636 6.018 2.108) 7.340 9.486 ( -5.281 -0.714 1.804) 5.626 10.063 ( 4.856 6.766 13.266) 15.663 10.231 ( 1.439 -8.231 10.299) 13.262 10.537 ( -8.174 9.381 0.283) 12.446 10.754 ( -10.601 -9.997 -0.040) 14.571 11.306 ( 5.172 10.928 14.197) 18.648 11.556 ( 5.536 -11.560 18.317) 22.356 11.754 ( -3.093 4.000 -4.205) 6.577 11.817 ( 0.914 -0.692 0.422) 1.222 12.281 ( -4.614 6.525 -3.121) 8.579 12.429 ( -3.300 -6.534 -3.749) 8.224 12.692 ( -8.712 0.444 1.451) 8.844 12.723 ( -5.048 -2.390 2.364) 6.065 13.122 ( 1.996 3.432 -2.416) 4.647 13.186 ( 2.202 -2.266 -4.548) 5.537 13.416 ( 4.140 0.602 4.047) 5.820 13.458 ( 3.762 -3.068 2.063) 5.274 13.993 ( -3.577 4.181 7.598) 9.381 14.015 ( -0.698 2.705 10.115) 10.494 14.337 ( 2.740 6.673 -1.902) 7.460 14.398 ( -1.784 0.521 1.240) 2.234 14.633 ( -3.538 5.311 -3.914) 7.486 14.756 ( -2.964 -2.563 -4.860) 6.243 14.834 ( 5.510 3.580 -0.819) 6.622 14.965 ( 3.020 -5.972 -3.685) 7.640 15.156 ( 6.562 6.511 -10.610) 14.072 15.307 ( 4.205 -4.887 -10.135) 12.012 15.454 ( -3.062 3.275 -8.261) 9.399 15.533 ( -4.790 -4.303 -6.465) 9.124 15.916 ( 2.388 8.280 -5.255) 10.094 16.060 ( -0.415 -3.461 -1.122) 3.662 16.684 ( 1.642 4.923 -2.044) 5.577 16.906 ( -4.104 -13.998 1.232) 14.639 24.614 ( 4.165 5.615 2.157) 7.317 24.733 ( 3.236 -5.145 2.176) 6.456 24.967 ( -2.311 7.469 6.758) 10.334 25.122 ( -3.617 -6.653 10.247) 12.742 25.736 ( 4.684 15.646 -13.452) 21.159 26.071 ( -1.640 -15.238 -11.366) 19.081 28.358 ( -1.108 0.013 -1.516) 1.878 28.373 ( -1.428 -1.311 -1.123) 2.241 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.38 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 10.322 6.192 13.852) 18.351 2.940 ( 5.769 -2.125 13.550) 14.880 3.186 ( 8.276 15.288 9.813) 19.963 3.501 ( -3.680 -11.309 12.508) 17.260 3.749 ( 1.631 4.401 -1.234) 4.853 3.820 ( 0.391 -2.076 -0.434) 2.157 6.301 ( -0.473 5.652 -6.995) 9.005 6.348 ( -2.898 1.279 -8.154) 8.748 6.582 ( 2.631 -0.116 13.371) 13.628 6.683 ( -1.757 -8.978 14.300) 16.976 7.644 ( -0.484 6.935 -8.013) 10.608 7.679 ( -2.090 3.542 -6.821) 7.965 8.148 ( 1.968 1.767 -1.277) 2.937 8.258 ( -2.472 10.589 -1.548) 10.984 8.363 ( 2.565 -13.370 -4.667) 14.391 8.523 ( -4.520 -10.848 -6.597) 13.477 9.267 ( 11.429 4.797 8.050) 14.779 9.354 ( -1.971 1.869 6.411) 6.962 9.426 ( 5.598 -3.878 -5.610) 8.823 9.491 ( 13.841 -7.795 -7.172) 17.429 10.040 ( -9.055 3.674 10.116) 14.065 10.160 ( -9.782 -6.609 7.218) 13.837 10.459 ( 1.130 6.397 -2.193) 6.856 10.590 ( -5.397 -6.030 -0.982) 8.152 11.424 ( 6.877 11.838 14.612) 20.024 11.619 ( -0.951 1.916 18.088) 18.214 11.727 ( 1.988 -4.885 -3.727) 6.459 11.824 ( -0.608 -5.223 -0.260) 5.265 12.245 ( 1.389 7.857 1.150) 8.061 12.406 ( 1.218 -6.429 -0.484) 6.561 12.512 ( -9.867 3.814 3.546) 11.157 12.607 ( -6.945 -4.735 4.185) 9.389 13.123 ( -0.740 2.350 -9.534) 9.848 13.181 ( -2.430 -2.608 -9.542) 10.186 13.506 ( 4.529 0.266 4.871) 6.656 13.531 ( 3.415 -1.951 2.528) 4.675 13.932 ( -2.051 3.781 7.104) 8.305 13.974 ( -2.872 -0.093 8.066) 8.563 14.395 ( 2.050 5.566 3.047) 6.668 14.426 ( 4.878 1.604 5.249) 7.343 14.559 ( -3.829 6.769 -2.189) 8.079 14.673 ( -5.333 -2.366 -2.052) 6.185 14.943 ( 5.657 2.861 -2.474) 6.805 15.025 ( 2.533 -4.291 -3.800) 6.266 15.277 ( 5.207 5.105 -6.889) 10.031 15.368 ( 1.268 -1.093 -6.117) 6.342 15.418 ( -0.281 0.343 -14.324) 14.331 15.451 ( -3.341 -3.530 -11.454) 12.442 15.943 ( 0.851 6.774 -2.925) 7.428 16.022 ( -3.061 0.796 -0.590) 3.217 16.728 ( 2.779 -2.019 -4.146) 5.384 16.836 ( -3.208 -10.687 -2.258) 11.384 24.698 ( 4.529 4.910 4.565) 8.091 24.792 ( 2.249 -3.240 4.125) 5.707 24.920 ( -1.787 5.714 7.844) 9.868 25.038 ( -5.046 -4.529 9.850) 11.958 25.842 ( 6.091 7.940 -14.597) 17.698 26.028 ( -3.063 -8.933 -13.031) 16.093 28.340 ( -0.656 -0.510 -1.627) 1.826 28.348 ( -1.059 -1.237 -1.408) 2.152 ======================= Grid point 220 (80/120) ======================= q-point: (-0.50 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -3.034 4.136 14.582) 15.457 2.978 ( 3.034 4.136 14.582) 15.457 3.340 ( -9.526 3.723 12.939) 16.493 3.340 ( 9.526 3.723 12.939) 16.493 3.813 ( -2.375 -2.483 -3.372) 4.814 3.813 ( 2.375 -2.483 -3.372) 4.814 6.308 ( -1.236 3.317 -7.845) 8.606 6.308 ( 1.236 3.317 -7.845) 8.606 6.636 ( -2.909 -4.085 15.145) 15.953 6.636 ( 2.909 -4.085 15.145) 15.953 7.648 ( -1.016 4.542 -7.483) 8.813 7.648 ( 1.016 4.542 -7.483) 8.813 8.199 ( -3.212 6.728 -1.618) 7.629 8.199 ( 3.212 6.728 -1.618) 7.629 8.434 ( -4.522 -13.696 -5.345) 15.382 8.434 ( 4.522 -13.696 -5.345) 15.382 9.330 ( -0.554 1.872 4.946) 5.317 9.330 ( 0.554 1.872 4.946) 5.317 9.655 ( -9.100 1.585 -2.241) 9.505 9.655 ( 9.100 1.585 -2.241) 9.505 9.922 ( -9.111 -7.387 3.310) 12.187 9.922 ( 9.111 -7.387 3.310) 12.187 10.519 ( -3.518 1.041 0.094) 3.670 10.519 ( 3.518 1.041 0.094) 3.670 11.546 ( -5.568 10.520 13.267) 17.824 11.546 ( 5.568 10.520 13.267) 17.824 11.789 ( -3.018 -8.706 1.123) 9.282 11.789 ( 3.018 -8.706 1.123) 9.282 12.337 ( -7.809 6.983 3.163) 10.943 12.337 ( 7.809 6.983 3.163) 10.943 12.478 ( -5.976 -5.910 2.724) 8.834 12.478 ( 5.976 -5.910 2.724) 8.834 13.131 ( -1.895 -0.802 -10.810) 11.004 13.131 ( 1.895 -0.802 -10.810) 11.004 13.561 ( -0.708 -0.600 2.962) 3.104 13.561 ( 0.708 -0.600 2.962) 3.104 13.928 ( -1.500 1.660 7.566) 7.890 13.928 ( 1.500 1.660 7.566) 7.890 14.450 ( -3.172 4.564 6.318) 8.415 14.450 ( 3.172 4.564 6.318) 8.415 14.566 ( -5.303 1.223 -2.064) 5.820 14.566 ( 5.303 1.223 -2.064) 5.820 15.028 ( -2.589 -0.009 -2.930) 3.910 15.028 ( 2.589 -0.009 -2.930) 3.910 15.345 ( -2.891 0.578 -3.635) 4.680 15.345 ( 2.891 0.578 -3.635) 4.680 15.426 ( -1.090 -0.501 -16.633) 16.676 15.426 ( 1.090 -0.501 -16.632) 16.676 15.968 ( -2.140 3.901 -1.214) 4.612 15.968 ( 2.140 3.901 -1.214) 4.612 16.781 ( -2.717 -6.840 -4.352) 8.551 16.781 ( 2.717 -6.840 -4.352) 8.551 24.777 ( -3.432 3.118 5.201) 6.967 24.777 ( 3.432 3.118 5.201) 6.967 24.945 ( -4.103 -1.335 8.877) 9.870 24.945 ( 4.103 -1.335 8.877) 9.870 25.951 ( -5.051 -0.796 -14.236) 15.126 25.951 ( 5.051 -0.796 -14.236) 15.126 28.336 ( -0.235 -0.980 -1.607) 1.897 28.336 ( 0.235 -0.980 -1.607) 1.897 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.000 0.000 11.245) 11.245 2.692 ( 0.000 0.000 20.639) 20.639 3.404 ( 0.000 0.000 -2.094) 2.094 3.424 ( 0.000 0.000 15.199) 15.199 3.716 ( 0.000 0.000 -0.596) 0.596 3.837 ( 0.000 0.000 -2.676) 2.676 5.883 ( 0.000 0.000 -3.926) 3.926 6.249 ( 0.000 0.000 -17.166) 17.166 6.512 ( 0.000 0.000 -6.700) 6.700 6.589 ( 0.000 0.000 17.193) 17.193 7.479 ( 0.000 0.000 -19.593) 19.593 7.733 ( 0.000 0.000 -3.005) 3.005 7.935 ( 0.000 0.000 15.439) 15.439 8.112 ( 0.000 0.000 -4.292) 4.292 8.625 ( 0.000 0.000 -9.968) 9.968 8.796 ( 0.000 0.000 8.667) 8.667 8.969 ( 0.000 0.000 -2.084) 2.084 9.107 ( 0.000 0.000 3.198) 3.198 9.336 ( 0.000 0.000 -1.729) 1.729 9.461 ( 0.000 0.000 3.776) 3.776 10.188 ( 0.000 0.000 20.514) 20.514 10.612 ( 0.000 0.000 7.150) 7.150 11.012 ( 0.000 0.000 8.522) 8.522 11.017 ( 0.000 0.000 6.948) 6.948 11.406 ( 0.000 0.000 -23.342) 23.342 11.467 ( 0.000 0.000 5.589) 5.589 11.877 ( 0.000 0.000 -2.563) 2.563 12.260 ( 0.000 0.000 -0.643) 0.643 12.430 ( 0.000 0.000 -15.820) 15.820 12.584 ( 0.000 0.000 9.538) 9.538 12.651 ( 0.000 0.000 -4.756) 4.756 12.785 ( 0.000 0.000 2.322) 2.322 13.085 ( 0.000 0.000 6.874) 6.874 13.323 ( 0.000 0.000 -1.787) 1.787 13.338 ( 0.000 0.000 18.422) 18.422 13.581 ( 0.000 0.000 4.243) 4.243 13.589 ( 0.000 0.000 0.780) 0.780 13.620 ( 0.000 0.000 1.779) 1.779 13.845 ( 0.000 0.000 0.366) 0.366 14.132 ( 0.000 0.000 6.311) 6.311 14.148 ( 0.000 0.000 -1.021) 1.021 14.636 ( 0.000 0.000 0.552) 0.552 14.918 ( 0.000 0.000 -18.571) 18.571 14.954 ( 0.000 0.000 -2.896) 2.896 15.013 ( 0.000 0.000 -10.362) 10.362 15.086 ( 0.000 0.000 -0.382) 0.382 15.230 ( 0.000 0.000 -10.382) 10.382 15.280 ( 0.000 0.000 7.300) 7.300 15.622 ( 0.000 0.000 -10.092) 10.092 16.397 ( 0.000 0.000 0.906) 0.906 16.452 ( 0.000 0.000 2.902) 2.902 17.885 ( 0.000 0.000 0.669) 0.669 24.251 ( 0.000 0.000 -1.354) 1.354 24.392 ( 0.000 0.000 -1.255) 1.255 24.784 ( 0.000 0.000 -1.051) 1.051 24.889 ( 0.000 0.000 -0.676) 0.676 25.779 ( 0.000 0.000 13.885) 13.885 26.668 ( 0.000 0.000 -12.317) 12.317 28.442 ( 0.000 0.000 0.482) 0.482 28.507 ( 0.000 0.000 0.685) 0.685 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 19.921 0.000 10.753) 22.638 2.693 ( 0.356 0.000 19.598) 19.601 3.331 ( -7.649 0.000 9.261) 12.011 3.368 ( -3.767 0.000 -1.361) 4.005 3.661 ( -0.996 0.000 3.486) 3.625 4.020 ( 12.324 0.000 -1.084) 12.372 5.779 ( -8.418 0.000 -4.291) 9.448 6.143 ( -9.810 0.000 -16.987) 19.616 6.553 ( 4.186 0.000 -6.377) 7.628 6.768 ( 15.811 0.000 17.057) 23.258 7.531 ( -14.730 0.000 -4.218) 15.322 7.597 ( 11.441 0.000 -18.750) 21.965 7.942 ( 0.446 0.000 15.399) 15.405 8.324 ( 15.641 0.000 -2.577) 15.852 8.603 ( -1.981 0.000 -10.027) 10.221 8.835 ( 3.850 0.000 7.815) 8.712 9.024 ( 5.343 0.000 -2.505) 5.901 9.114 ( 0.643 0.000 3.887) 3.940 9.173 ( -9.133 0.000 0.426) 9.143 9.646 ( 11.485 0.000 2.130) 11.681 10.206 ( 1.862 0.000 19.493) 19.582 10.566 ( -4.038 0.000 7.277) 8.322 10.927 ( -4.638 0.000 8.041) 9.283 11.091 ( 2.539 0.000 9.101) 9.449 11.366 ( -3.789 0.000 -22.432) 22.750 11.374 ( -7.339 0.000 2.558) 7.772 11.772 ( -10.301 0.000 -1.547) 10.416 12.197 ( -5.291 0.000 0.293) 5.300 12.347 ( -8.773 0.000 -12.432) 15.216 12.650 ( 5.521 0.000 9.854) 11.295 12.717 ( 6.981 0.000 -6.539) 9.565 12.824 ( 3.571 0.000 -0.442) 3.599 13.057 ( -3.705 0.000 7.839) 8.671 13.342 ( 1.599 0.000 -0.352) 1.637 13.361 ( -0.266 0.000 14.170) 14.173 13.590 ( -0.957 0.000 -0.433) 1.050 13.593 ( 1.348 0.000 1.845) 2.285 13.636 ( 4.314 0.000 6.198) 7.552 13.884 ( 3.656 0.000 -1.713) 4.038 14.069 ( -2.645 0.000 2.318) 3.517 14.218 ( 3.240 0.000 -0.185) 3.245 14.598 ( -2.602 0.000 4.496) 5.195 14.944 ( 3.062 0.000 -16.023) 16.313 15.001 ( 3.623 0.000 -1.373) 3.875 15.013 ( 0.252 0.000 -8.695) 8.699 15.109 ( 2.086 0.000 -2.667) 3.386 15.223 ( -0.766 0.000 -9.599) 9.629 15.261 ( -1.712 0.000 4.024) 4.372 15.601 ( -2.104 0.000 -10.745) 10.949 16.079 ( -16.698 0.000 -0.113) 16.699 16.772 ( 16.965 0.000 3.553) 17.333 17.828 ( -5.663 0.000 1.054) 5.760 24.320 ( 6.965 0.000 -1.917) 7.224 24.404 ( 1.281 0.000 -1.243) 1.785 24.766 ( -1.838 0.000 -1.055) 2.120 24.961 ( 7.160 0.000 -0.597) 7.185 25.738 ( -4.115 0.000 13.056) 13.689 26.619 ( -5.110 0.000 -11.272) 12.376 28.442 ( 0.000 0.000 0.445) 0.445 28.499 ( -0.803 0.000 0.677) 1.050 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 20.283 0.000 10.859) 23.007 2.718 ( 2.573 0.000 16.691) 16.888 3.198 ( -5.969 0.000 2.563) 6.496 3.264 ( -6.978 0.000 0.772) 7.021 3.709 ( 6.704 0.000 7.692) 10.203 4.218 ( 7.547 0.000 0.257) 7.552 5.634 ( -6.025 0.000 -6.664) 8.984 5.928 ( -11.762 0.000 -16.389) 20.172 6.660 ( 6.591 0.000 -5.705) 8.717 7.100 ( 17.903 0.000 17.368) 24.944 7.268 ( -12.340 0.000 -5.171) 13.380 7.864 ( 15.041 0.000 -14.356) 20.792 7.936 ( -1.042 0.000 13.628) 13.668 8.559 ( -2.634 0.000 -10.714) 11.033 8.613 ( 14.558 0.000 -0.527) 14.567 8.929 ( 5.605 0.000 6.584) 8.647 9.033 ( -3.983 0.000 0.614) 4.031 9.126 ( 0.441 0.000 5.336) 5.354 9.154 ( 5.823 0.000 -2.204) 6.226 9.806 ( 2.723 0.000 3.693) 4.589 10.242 ( 2.455 0.000 13.071) 13.299 10.543 ( 4.329 0.000 7.858) 8.971 10.838 ( -4.593 0.000 8.931) 10.043 11.024 ( -9.202 0.000 9.801) 13.444 11.276 ( -5.598 0.000 -18.815) 19.630 11.339 ( 4.612 0.000 -1.657) 4.900 11.519 ( -15.505 0.000 0.722) 15.522 12.111 ( -2.716 0.000 0.449) 2.753 12.136 ( -12.457 0.000 -9.616) 15.737 12.756 ( 5.243 0.000 11.927) 13.029 12.854 ( -5.689 0.000 -0.584) 5.719 12.874 ( 8.464 0.000 -6.572) 10.716 12.964 ( -1.422 0.000 4.620) 4.834 13.303 ( -4.640 0.000 6.616) 8.081 13.368 ( 1.178 0.000 1.152) 1.647 13.560 ( -1.596 0.000 -0.360) 1.636 13.611 ( -0.444 0.000 -1.477) 1.543 13.720 ( 1.026 0.000 1.484) 1.805 14.014 ( 11.282 0.000 5.433) 12.522 14.056 ( 1.549 0.000 0.354) 1.589 14.249 ( 0.028 0.000 -5.127) 5.127 14.579 ( 0.830 0.000 11.171) 11.201 15.027 ( 2.208 0.000 -9.888) 10.131 15.039 ( -0.597 0.000 5.612) 5.644 15.049 ( 6.885 0.000 -7.079) 9.875 15.150 ( 2.033 0.000 -5.953) 6.291 15.179 ( -3.943 0.000 -1.612) 4.260 15.258 ( 2.083 0.000 -12.448) 12.621 15.547 ( -3.452 0.000 -12.465) 12.934 15.801 ( -12.601 0.000 -2.049) 12.767 17.056 ( 12.774 0.000 4.438) 13.523 17.691 ( -8.122 0.000 1.854) 8.331 24.440 ( 2.475 0.000 -1.213) 2.756 24.497 ( 11.132 0.000 -2.154) 11.338 24.717 ( -3.263 0.000 -1.068) 3.433 25.127 ( 8.396 0.000 -0.440) 8.408 25.649 ( -3.581 0.000 10.221) 10.830 26.477 ( -9.743 0.000 -8.628) 13.014 28.442 ( 0.116 0.000 0.362) 0.380 28.481 ( -0.941 0.000 0.563) 1.097 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 11.644 0.000 10.277) 15.530 2.799 ( 6.040 0.000 12.582) 13.957 3.088 ( -6.146 0.000 1.834) 6.414 3.111 ( -8.874 0.000 4.064) 9.760 3.918 ( 14.063 0.000 6.784) 15.614 4.282 ( -1.253 0.000 1.860) 2.243 5.565 ( -1.035 0.000 -9.807) 9.862 5.726 ( -9.067 0.000 -15.019) 17.543 6.789 ( 6.834 0.000 -5.338) 8.671 7.067 ( -8.949 0.000 -5.614) 10.564 7.420 ( 15.432 0.000 16.698) 22.737 7.853 ( -6.648 0.000 15.657) 17.011 8.163 ( 14.170 0.000 -13.047) 19.262 8.499 ( -4.085 0.000 -10.955) 11.692 8.876 ( 12.555 0.000 0.951) 12.591 9.005 ( 0.737 0.000 0.767) 1.063 9.031 ( 4.737 0.000 5.839) 7.518 9.125 ( -0.580 0.000 6.305) 6.332 9.237 ( 3.538 0.000 0.121) 3.541 9.676 ( -14.280 0.000 5.075) 15.155 10.400 ( 13.954 0.000 4.558) 14.679 10.706 ( 9.705 0.000 4.402) 10.656 10.764 ( -2.742 0.000 9.477) 9.866 10.850 ( -7.647 0.000 7.362) 10.615 11.134 ( -10.491 0.000 -9.943) 14.454 11.231 ( -12.415 0.000 1.877) 12.556 11.477 ( 9.051 0.000 -2.883) 9.499 11.896 ( -12.492 0.000 -7.583) 14.613 12.128 ( 5.208 0.000 0.828) 5.274 12.607 ( -15.921 0.000 6.561) 17.220 12.860 ( 4.993 0.000 6.671) 8.333 12.983 ( 0.088 0.000 1.296) 1.299 13.016 ( 6.324 0.000 -4.669) 7.860 13.211 ( -4.872 0.000 1.359) 5.058 13.401 ( 2.763 0.000 -0.028) 2.763 13.548 ( 0.720 0.000 -1.101) 1.315 13.564 ( -4.074 0.000 -1.807) 4.457 13.676 ( -4.318 0.000 -3.643) 5.650 14.115 ( 3.848 0.000 -2.508) 4.593 14.229 ( -1.862 0.000 -6.989) 7.233 14.273 ( 14.306 0.000 14.654) 20.479 14.600 ( -0.230 0.000 16.429) 16.430 14.995 ( -2.438 0.000 5.794) 6.286 15.072 ( 2.802 0.000 -7.728) 8.221 15.090 ( -5.136 0.000 -2.156) 5.571 15.149 ( 0.484 0.000 -4.815) 4.839 15.235 ( 8.804 0.000 -7.418) 11.512 15.322 ( 4.083 0.000 -15.989) 16.502 15.476 ( -3.891 0.000 -14.399) 14.916 15.592 ( -9.857 0.000 -3.544) 10.474 17.259 ( 8.802 0.000 4.420) 9.849 17.540 ( -7.537 0.000 2.710) 8.009 24.497 ( 3.454 0.000 -1.171) 3.647 24.646 ( -4.010 0.000 -1.092) 4.156 24.727 ( 12.795 0.000 -0.682) 12.813 25.162 ( -6.003 0.000 2.142) 6.374 25.707 ( 10.697 0.000 3.063) 11.127 26.254 ( -13.545 0.000 -5.383) 14.575 28.446 ( 0.311 0.000 0.276) 0.416 28.465 ( -0.706 0.000 0.363) 0.794 ======================= Grid point 256 (85/120) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( -8.602 0.000 8.149) 11.849 2.941 ( 8.602 0.000 8.149) 11.849 2.956 ( -7.850 0.000 6.189) 9.996 2.956 ( 7.850 0.000 6.189) 9.996 4.168 ( -10.495 0.000 4.084) 11.262 4.168 ( 10.495 0.000 4.084) 11.262 5.597 ( -4.330 0.000 -12.763) 13.478 5.597 ( 4.330 0.000 -12.763) 13.478 6.919 ( -7.004 0.000 -5.493) 8.901 6.919 ( 7.004 0.000 -5.493) 8.901 7.678 ( -11.577 0.000 15.869) 19.643 7.678 ( 11.577 0.000 15.869) 19.643 8.382 ( -8.669 0.000 -11.165) 14.136 8.382 ( 8.669 0.000 -11.165) 14.136 9.018 ( -1.490 0.000 0.918) 1.750 9.018 ( 1.490 0.000 0.918) 1.750 9.099 ( -2.370 0.000 6.131) 6.573 9.099 ( 2.370 0.000 6.131) 6.573 9.384 ( -13.581 0.000 3.306) 13.978 9.384 ( 13.581 0.000 3.306) 13.978 10.692 ( -13.703 0.000 -0.698) 13.721 10.692 ( 13.703 0.000 -0.698) 13.721 10.755 ( -2.191 0.000 8.122) 8.413 10.755 ( 2.191 0.000 8.122) 8.413 11.055 ( -6.434 0.000 0.984) 6.509 11.055 ( 6.434 0.000 0.984) 6.509 11.670 ( -11.131 0.000 -5.249) 12.307 11.670 ( 11.131 0.000 -5.249) 12.307 12.313 ( -13.676 0.000 3.227) 14.051 12.313 ( 13.676 0.000 3.227) 14.051 12.945 ( -3.670 0.000 4.331) 5.676 12.945 ( 3.670 0.000 4.331) 5.676 13.120 ( -4.862 0.000 -2.099) 5.296 13.120 ( 4.862 0.000 -2.099) 5.296 13.476 ( -4.762 0.000 -1.343) 4.948 13.476 ( 4.762 0.000 -1.343) 4.948 13.593 ( -3.802 0.000 -2.780) 4.710 13.593 ( 3.802 0.000 -2.780) 4.710 14.182 ( -3.051 0.000 -5.341) 6.151 14.182 ( 3.051 0.000 -5.341) 6.151 14.510 ( -9.524 0.000 18.713) 20.997 14.510 ( 9.524 0.000 18.713) 20.997 15.002 ( -3.352 0.000 -0.109) 3.353 15.002 ( 3.352 0.000 -0.109) 3.353 15.125 ( -2.382 0.000 -6.881) 7.282 15.125 ( 2.382 0.000 -6.881) 7.282 15.401 ( -4.072 0.000 -15.680) 16.200 15.401 ( 4.072 0.000 -15.680) 16.200 15.412 ( -9.355 0.000 -4.745) 10.489 15.412 ( 9.355 0.000 -4.745) 10.489 17.404 ( -6.984 0.000 3.656) 7.883 17.404 ( 6.984 0.000 3.656) 7.883 24.569 ( -4.032 0.000 -1.128) 4.187 24.569 ( 4.032 0.000 -1.128) 4.187 24.970 ( -12.348 0.000 1.598) 12.451 24.970 ( 12.348 0.000 1.598) 12.451 25.974 ( -15.436 0.000 -1.953) 15.559 25.974 ( 15.436 0.000 -1.953) 15.559 28.454 ( -0.495 0.000 0.253) 0.556 28.454 ( 0.495 0.000 0.253) 0.556 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.000 5.595 10.038) 11.492 2.714 ( 0.000 1.865 18.739) 18.831 3.328 ( 0.000 -5.556 -0.677) 5.597 3.547 ( 0.000 10.467 13.566) 17.135 3.688 ( 0.000 -13.301 -2.293) 13.497 3.828 ( 0.000 9.124 -0.538) 9.140 5.963 ( 0.000 6.843 -3.955) 7.904 6.281 ( 0.000 2.636 -15.509) 15.732 6.490 ( 0.000 0.771 7.313) 7.354 6.750 ( 0.000 11.441 3.072) 11.846 7.373 ( 0.000 -9.386 -13.343) 16.313 7.705 ( 0.000 -1.124 -2.920) 3.129 8.034 ( 0.000 7.916 13.655) 15.784 8.093 ( 0.000 -0.120 -6.439) 6.440 8.560 ( 0.000 -5.725 -6.655) 8.778 8.684 ( 0.000 -14.639 1.721) 14.740 8.941 ( 0.000 -11.142 -6.919) 13.116 9.029 ( 0.000 11.991 8.462) 14.676 9.344 ( 0.000 0.525 -2.665) 2.716 9.680 ( 0.000 12.449 6.447) 14.019 10.196 ( 0.000 -0.318 14.752) 14.756 10.442 ( 0.000 -12.022 9.090) 15.072 11.043 ( 0.000 -0.234 5.543) 5.548 11.075 ( 0.000 5.645 9.286) 10.867 11.340 ( 0.000 -3.950 -11.388) 12.054 11.573 ( 0.000 7.055 -1.937) 7.316 11.838 ( 0.000 -2.690 0.471) 2.730 12.224 ( 0.000 -2.062 -3.322) 3.910 12.320 ( 0.000 -10.494 1.572) 10.611 12.530 ( 0.000 -2.148 -2.685) 3.438 12.663 ( 0.000 -0.376 -4.452) 4.468 12.769 ( 0.000 -1.151 -1.115) 1.603 13.111 ( 0.000 1.555 5.069) 5.302 13.287 ( 0.000 -1.573 -0.864) 1.795 13.524 ( 0.000 12.316 12.127) 17.284 13.537 ( 0.000 -3.006 2.684) 4.030 13.558 ( 0.000 -3.278 2.180) 3.937 13.699 ( 0.000 8.214 0.920) 8.265 13.924 ( 0.000 8.168 6.718) 10.576 14.190 ( 0.000 5.241 3.886) 6.525 14.274 ( 0.000 10.107 -3.711) 10.767 14.653 ( 0.000 1.159 1.150) 1.633 14.829 ( 0.000 -5.589 -10.222) 11.650 14.983 ( 0.000 -1.104 -3.927) 4.079 15.012 ( 0.000 0.335 -11.132) 11.137 15.036 ( 0.000 -3.136 -4.405) 5.407 15.271 ( 0.000 3.549 -11.990) 12.504 15.358 ( 0.000 5.471 6.739) 8.680 15.669 ( 0.000 4.421 -8.130) 9.254 16.375 ( 0.000 -7.118 2.130) 7.429 16.382 ( 0.000 -0.704 0.568) 0.904 17.770 ( 0.000 -10.280 1.558) 10.397 24.281 ( 0.000 2.705 -1.329) 3.013 24.531 ( 0.000 12.082 -1.734) 12.206 24.850 ( 0.000 6.229 -1.326) 6.369 24.856 ( 0.000 -3.085 -0.716) 3.167 25.735 ( 0.000 -4.033 13.392) 13.986 26.574 ( 0.000 -8.707 -11.388) 14.335 28.415 ( 0.000 -2.163 0.143) 2.168 28.489 ( 0.000 -1.656 0.485) 1.725 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 19.245 4.853 9.661) 22.073 2.705 ( -0.333 1.185 17.178) 17.222 3.298 ( -3.626 -5.186 0.749) 6.372 3.446 ( -4.565 8.634 7.632) 12.395 3.749 ( -0.189 5.718 2.979) 6.450 3.923 ( 10.660 -6.331 -0.150) 12.399 5.872 ( -7.414 8.013 -4.192) 11.694 6.189 ( -8.477 3.834 -15.130) 17.761 6.572 ( 6.278 1.793 3.103) 7.229 6.855 ( 10.376 7.589 6.700) 14.496 7.390 ( -1.702 -9.104 -8.278) 12.422 7.660 ( 0.824 0.993 -8.512) 8.609 7.950 ( -3.269 2.741 10.346) 11.191 8.299 ( 13.081 -0.583 -1.727) 13.207 8.537 ( -2.005 -5.896 -6.492) 8.996 8.731 ( 3.880 -14.550 1.316) 15.116 8.979 ( 4.249 -8.724 -5.948) 11.382 9.056 ( 2.768 11.948 7.890) 14.583 9.294 ( -3.285 4.319 -0.211) 5.431 9.776 ( 8.197 8.395 3.344) 12.200 10.192 ( -1.003 -2.806 13.723) 14.043 10.407 ( -2.594 -10.052 10.554) 14.804 10.993 ( -3.581 3.002 7.192) 8.576 11.110 ( 1.351 1.917 9.170) 9.465 11.266 ( -6.921 -4.723 -9.053) 12.336 11.500 ( -6.313 6.565 -7.086) 11.540 11.757 ( -7.326 -0.178 1.337) 7.449 12.163 ( -4.821 -2.122 -1.536) 5.487 12.305 ( -4.133 -5.447 -4.842) 8.379 12.549 ( 2.686 -5.259 5.966) 8.394 12.710 ( 5.197 -1.407 -5.423) 7.641 12.809 ( 3.240 -1.327 -2.805) 4.486 13.091 ( -2.775 2.356 5.602) 6.681 13.272 ( -1.656 -3.905 -0.670) 4.294 13.501 ( -0.416 2.760 6.217) 6.815 13.558 ( -1.430 -0.385 2.658) 3.042 13.626 ( 6.990 6.511 4.917) 10.744 13.753 ( 6.065 9.095 3.590) 11.506 13.901 ( -1.646 4.600 3.116) 5.795 14.189 ( -1.283 8.116 -0.101) 8.217 14.284 ( 1.313 6.531 -2.435) 7.093 14.633 ( -0.789 2.726 5.723) 6.388 14.874 ( 4.260 -5.099 -10.520) 12.442 14.975 ( -1.035 -1.130 -8.031) 8.176 15.011 ( 1.578 -3.496 -1.617) 4.162 15.092 ( 3.908 -0.046 -7.503) 8.459 15.260 ( -1.320 3.033 -9.139) 9.719 15.344 ( -1.137 6.190 1.950) 6.589 15.639 ( -3.003 3.366 -8.555) 9.672 16.064 ( -15.022 -0.795 -0.660) 15.057 16.702 ( 16.050 -6.130 2.885) 17.421 17.715 ( -5.511 -10.149 1.773) 11.684 24.339 ( 5.775 2.248 -0.924) 6.266 24.539 ( 1.134 11.143 -2.227) 11.420 24.825 ( -1.867 4.838 -0.576) 5.218 24.941 ( 7.834 -0.895 -1.519) 8.030 25.696 ( -3.948 -3.879 12.633) 13.792 26.530 ( -4.614 -8.271 -10.570) 14.192 28.414 ( -0.075 -2.248 0.124) 2.253 28.479 ( -0.907 -1.738 0.470) 2.016 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 20.361 4.384 9.571) 22.922 2.732 ( 3.765 1.416 13.513) 14.099 3.202 ( -5.621 0.521 5.376) 7.796 3.390 ( -3.276 9.792 0.787) 10.355 3.750 ( 2.858 4.167 6.558) 8.279 4.120 ( 8.353 -8.718 0.876) 12.106 5.742 ( -5.487 9.405 -6.212) 12.536 6.002 ( -10.349 6.293 -14.684) 19.035 6.692 ( 6.251 2.681 0.163) 6.804 7.063 ( 7.170 -1.637 4.982) 8.883 7.308 ( -1.373 1.815 1.503) 2.727 7.787 ( 7.384 -9.387 -4.385) 12.723 7.913 ( 1.165 2.041 4.154) 4.773 8.437 ( -1.897 -6.838 -8.357) 10.964 8.584 ( 9.967 -4.174 0.058) 10.806 8.791 ( 2.235 -13.103 0.320) 13.296 9.096 ( 6.905 -2.099 -1.793) 7.436 9.128 ( 4.588 10.584 6.845) 13.414 9.266 ( 0.773 6.300 -0.131) 6.348 9.921 ( 3.781 8.293 2.352) 9.413 10.130 ( -3.065 -11.523 7.252) 13.956 10.415 ( 4.221 -6.700 13.683) 15.809 10.908 ( -6.237 1.131 9.933) 11.783 11.023 ( -9.147 -0.058 4.030) 9.996 11.199 ( -0.050 -3.978 -2.325) 4.608 11.359 ( -8.722 3.624 -11.172) 14.629 11.631 ( -3.809 8.065 1.972) 9.135 12.087 ( -2.326 -1.449 -0.372) 2.765 12.158 ( -9.866 0.640 -7.507) 12.414 12.633 ( 5.276 -8.006 11.493) 14.967 12.774 ( -3.375 -4.099 -2.213) 5.753 12.871 ( 4.823 -2.376 -2.870) 6.094 13.020 ( -2.924 3.198 2.674) 5.092 13.227 ( -2.927 -5.384 -1.956) 6.433 13.483 ( -2.180 6.794 4.555) 8.465 13.532 ( 0.359 -0.641 2.110) 2.234 13.765 ( 5.665 8.369 -2.087) 10.320 13.781 ( -3.070 7.462 1.822) 8.272 13.990 ( 9.197 0.999 4.677) 10.366 14.146 ( -0.923 7.292 -0.567) 7.372 14.310 ( 1.196 5.095 -3.209) 6.139 14.653 ( 2.737 5.620 11.141) 12.775 14.957 ( 0.516 -4.010 -2.038) 4.528 14.993 ( 6.408 -3.749 -10.957) 13.235 15.045 ( 1.817 -3.049 -0.847) 3.650 15.159 ( 2.525 1.109 -5.673) 6.307 15.212 ( -3.661 2.689 -2.406) 5.141 15.335 ( 0.645 6.304 -10.494) 12.259 15.564 ( -4.605 1.138 -9.621) 10.727 15.819 ( -10.866 2.632 -3.191) 11.626 16.972 ( 12.143 -7.616 3.755) 14.817 17.581 ( -7.946 -9.888 2.181) 12.871 24.469 ( 6.575 2.522 1.270) 7.155 24.591 ( 5.266 8.278 -3.675) 10.477 24.778 ( -3.001 5.269 -0.515) 6.085 25.120 ( 9.054 -0.095 -1.636) 9.201 25.610 ( -3.517 -3.624 9.917) 11.129 26.401 ( -8.916 -7.090 -8.464) 14.192 28.413 ( 0.027 -2.443 0.079) 2.445 28.459 ( -1.137 -1.985 0.352) 2.315 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 11.923 4.919 8.756) 15.589 2.849 ( 7.637 3.500 9.894) 12.979 3.100 ( -4.949 4.328 7.642) 10.081 3.271 ( -9.171 10.947 1.177) 14.330 3.901 ( 11.876 -1.534 6.120) 13.449 4.205 ( 0.111 -7.031 2.091) 7.337 5.678 ( -1.033 9.910 -8.984) 13.416 5.822 ( -8.143 8.366 -13.579) 17.908 6.808 ( 5.902 1.719 -1.186) 6.260 7.031 ( -5.946 -2.065 -3.707) 7.305 7.447 ( 11.328 1.118 12.302) 16.761 7.778 ( -4.986 -7.649 12.476) 15.460 8.071 ( 10.771 -5.495 -10.242) 15.847 8.363 ( -4.966 -8.502 -9.227) 13.494 8.763 ( 7.293 -8.304 0.527) 11.064 8.830 ( 1.912 -11.133 0.091) 11.297 9.197 ( 3.638 5.345 3.607) 7.404 9.215 ( 3.666 8.523 6.514) 11.336 9.330 ( 6.265 7.330 -2.014) 9.851 9.784 ( -13.602 7.056 4.832) 16.067 10.249 ( 12.096 -11.616 0.578) 16.780 10.528 ( 6.025 -10.115 9.893) 15.378 10.738 ( -9.670 -6.464 9.489) 15.011 10.876 ( -8.055 -2.043 1.692) 8.481 11.160 ( -3.595 2.941 2.720) 5.382 11.222 ( -4.088 6.354 -7.652) 10.753 11.647 ( 4.967 10.727 -0.840) 11.851 11.964 ( -10.062 4.769 -6.650) 12.970 12.108 ( 5.036 -1.431 1.148) 5.359 12.566 ( -14.498 -2.709 6.025) 15.932 12.747 ( 5.502 -7.818 7.343) 12.055 12.933 ( -1.590 -4.209 3.370) 5.621 13.015 ( 3.373 -1.010 -4.076) 5.386 13.167 ( -3.423 -3.755 -3.986) 6.458 13.471 ( 1.423 4.041 -1.551) 4.556 13.538 ( -0.402 3.657 1.785) 4.089 13.722 ( -1.711 7.310 -0.099) 7.508 13.800 ( -2.564 10.612 -3.258) 11.394 14.080 ( 3.423 -1.235 -1.090) 3.799 14.197 ( 0.522 2.572 -2.513) 3.634 14.400 ( 10.404 6.883 8.989) 15.376 14.700 ( 0.445 7.075 14.922) 16.520 14.955 ( 0.155 -3.094 0.489) 3.136 15.064 ( -0.388 -2.804 -6.352) 6.954 15.090 ( -0.023 -0.615 -2.227) 2.311 15.160 ( -0.573 1.568 -5.019) 5.289 15.204 ( 5.056 -0.282 -5.749) 7.661 15.368 ( 1.770 2.746 -13.098) 13.500 15.483 ( -2.927 1.530 -11.059) 11.541 15.642 ( -8.042 4.908 -6.541) 11.470 17.164 ( 8.352 -8.580 3.772) 12.554 17.433 ( -7.337 -9.621 2.604) 12.376 24.560 ( 3.728 5.298 1.076) 6.567 24.696 ( -1.840 4.590 0.057) 4.946 24.773 ( 9.131 4.070 -1.892) 10.174 25.165 ( -5.583 0.462 1.628) 5.834 25.669 ( 10.680 -3.460 2.204) 11.441 26.194 ( -12.655 -5.522 -5.784) 14.969 28.416 ( 0.297 -2.596 0.030) 2.613 28.439 ( -0.907 -2.318 0.151) 2.493 ======================= Grid point 265 (90/120) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( -2.551 3.345 7.521) 8.618 2.963 ( 2.551 3.345 7.521) 8.618 3.081 ( -8.327 9.693 6.282) 14.239 3.081 ( 8.327 9.693 6.282) 14.239 4.118 ( -9.017 -4.652 3.865) 10.858 4.118 ( 9.017 -4.652 3.865) 10.858 5.706 ( -3.898 9.557 -11.617) 15.539 5.706 ( 3.898 9.557 -11.617) 15.539 6.918 ( -5.812 0.263 -2.845) 6.476 6.918 ( 5.812 0.263 -2.845) 6.476 7.645 ( -8.898 -3.814 13.222) 16.388 7.645 ( 8.898 -3.814 13.222) 16.388 8.247 ( -7.528 -8.831 -9.600) 15.061 8.247 ( 7.528 -8.831 -9.600) 15.061 8.843 ( -1.272 -10.678 0.292) 10.757 8.843 ( 1.272 -10.678 0.292) 10.757 9.240 ( -0.794 6.827 4.880) 8.429 9.240 ( 0.794 6.827 4.880) 8.429 9.519 ( -13.044 9.701 1.948) 16.372 9.519 ( 13.044 9.701 1.948) 16.372 10.488 ( -11.277 -14.116 1.989) 18.176 10.488 ( 11.277 -14.116 1.989) 18.176 10.706 ( -7.463 -5.650 6.267) 11.265 10.706 ( 7.463 -5.650 6.267) 11.265 11.157 ( -2.685 8.692 -0.005) 9.097 11.157 ( 2.685 8.692 -0.005) 9.097 11.784 ( -8.704 8.166 -4.409) 12.723 11.784 ( 8.704 8.166 -4.409) 12.723 12.286 ( -13.272 -1.693 3.824) 13.915 12.286 ( 13.272 -1.693 3.824) 13.915 12.854 ( -5.385 -6.571 6.188) 10.511 12.854 ( 5.385 -6.571 6.188) 10.511 13.095 ( -4.151 -2.696 -4.283) 6.545 13.095 ( 4.151 -2.696 -4.283) 6.545 13.513 ( -2.127 3.509 -2.318) 4.712 13.513 ( 2.127 3.509 -2.318) 4.712 13.733 ( -2.819 9.664 -0.234) 10.070 13.733 ( 2.819 9.664 -0.234) 10.070 14.155 ( -3.754 0.175 -3.961) 5.460 14.155 ( 3.754 0.175 -3.961) 5.460 14.612 ( -9.472 6.809 16.180) 19.947 14.612 ( 9.472 6.809 16.180) 19.947 14.995 ( -3.963 -1.110 -1.544) 4.396 14.995 ( 3.963 -1.110 -1.544) 4.396 15.125 ( -2.514 0.342 -6.840) 7.295 15.125 ( 2.514 0.342 -6.840) 7.295 15.327 ( -5.681 -2.626 -7.423) 9.709 15.327 ( 5.681 -2.626 -7.423) 9.709 15.512 ( -5.262 5.871 -11.134) 13.643 15.512 ( 5.262 5.871 -11.134) 13.643 17.303 ( -6.669 -9.226 3.199) 11.825 17.303 ( 6.669 -9.226 3.199) 11.825 24.630 ( -3.742 5.429 0.352) 6.604 24.630 ( 3.742 5.429 0.352) 6.604 24.986 ( -11.432 1.415 1.183) 11.580 24.986 ( 11.432 1.415 1.183) 11.580 25.929 ( -14.803 -4.076 -2.772) 15.602 25.929 ( 14.803 -4.076 -2.772) 15.602 28.425 ( -0.604 -2.562 0.029) 2.632 28.425 ( 0.604 -2.562 0.029) 2.632 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.000 12.000 7.000) 13.892 2.772 ( 0.000 3.780 14.091) 14.590 3.190 ( 0.000 -7.045 -0.056) 7.045 3.313 ( 0.000 -20.543 -1.222) 20.579 3.830 ( 0.000 14.362 11.419) 18.348 4.043 ( 0.000 9.396 1.131) 9.464 6.137 ( 0.000 8.378 -4.388) 9.458 6.338 ( 0.000 2.114 -11.429) 11.623 6.542 ( 0.000 3.565 12.890) 13.374 6.993 ( 0.000 3.767 -3.501) 5.143 7.171 ( 0.000 -0.888 -2.263) 2.431 7.728 ( 0.000 3.781 -4.293) 5.720 8.101 ( 0.000 -1.851 -8.887) 9.078 8.216 ( 0.000 5.459 7.190) 9.028 8.387 ( 0.000 -10.092 -1.267) 10.171 8.426 ( 0.000 -2.779 2.911) 4.025 8.667 ( 0.000 -12.981 -11.093) 17.074 9.314 ( 0.000 -5.744 -4.164) 7.095 9.343 ( 0.000 15.445 7.661) 17.240 9.866 ( 0.000 4.102 7.008) 8.120 10.047 ( 0.000 -8.676 7.911) 11.741 10.349 ( 0.000 1.335 7.506) 7.624 10.950 ( 0.000 -7.050 5.669) 9.046 11.218 ( 0.000 -8.007 -5.175) 9.534 11.240 ( 0.000 9.542 11.547) 14.979 11.726 ( 0.000 6.594 0.119) 6.595 11.824 ( 0.000 1.799 2.877) 3.393 12.046 ( 0.000 -13.845 13.526) 19.356 12.222 ( 0.000 2.221 -5.322) 5.767 12.522 ( 0.000 1.212 -10.837) 10.905 12.597 ( 0.000 -5.552 -3.367) 6.493 12.732 ( 0.000 -2.484 -6.736) 7.179 13.128 ( 0.000 0.195 3.061) 3.067 13.243 ( 0.000 -2.566 0.376) 2.594 13.467 ( 0.000 -3.461 1.179) 3.656 13.479 ( 0.000 -3.359 3.904) 5.150 13.806 ( 0.000 14.045 5.954) 15.255 13.959 ( 0.000 14.849 -2.350) 15.034 14.150 ( 0.000 9.775 14.265) 17.293 14.364 ( 0.000 11.218 -0.300) 11.222 14.513 ( 0.000 10.769 -7.482) 13.113 14.656 ( 0.000 -1.230 1.020) 1.598 14.701 ( 0.000 -6.236 -4.434) 7.652 14.858 ( 0.000 -7.987 -0.043) 7.987 15.003 ( 0.000 -1.810 -5.395) 5.691 15.013 ( 0.000 -1.109 -12.203) 12.253 15.377 ( 0.000 6.522 -14.381) 15.791 15.475 ( 0.000 5.632 4.031) 6.926 15.760 ( 0.000 1.875 -1.884) 2.658 16.158 ( 0.000 -12.757 -0.479) 12.766 16.433 ( 0.000 7.294 -0.167) 7.296 17.474 ( 0.000 -16.583 2.752) 16.810 24.364 ( 0.000 4.990 -1.252) 5.145 24.762 ( 0.000 -5.464 -0.827) 5.526 24.843 ( 0.000 15.105 1.022) 15.140 25.059 ( 0.000 13.673 -4.630) 14.435 25.612 ( 0.000 -7.218 11.980) 13.986 26.307 ( 0.000 -15.805 -9.586) 18.485 28.370 ( 0.000 -1.521 -0.585) 1.629 28.442 ( 0.000 -2.477 -0.091) 2.479 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 17.809 10.941 6.918) 22.017 2.752 ( -0.727 3.327 11.714) 12.199 3.157 ( -0.556 -7.686 3.495) 8.461 3.459 ( 10.353 -12.602 -1.792) 16.408 3.830 ( 0.549 10.227 9.963) 14.289 4.001 ( -4.230 8.493 1.893) 9.676 6.077 ( -5.011 9.940 -4.329) 11.944 6.277 ( -5.556 3.653 -10.594) 12.508 6.619 ( 6.467 2.403 11.904) 13.759 7.030 ( 3.045 1.872 -3.610) 5.080 7.211 ( 4.006 -0.289 -0.972) 4.132 7.668 ( -4.364 1.647 -4.419) 6.425 8.073 ( -3.853 6.589 -1.522) 7.784 8.274 ( 5.993 -4.927 -2.990) 8.315 8.380 ( -1.323 -8.351 0.964) 8.510 8.467 ( 4.339 -5.823 -0.709) 7.297 8.758 ( 9.207 -9.666 -7.490) 15.307 9.313 ( 0.405 0.791 0.627) 1.087 9.372 ( 2.482 10.021 4.580) 11.294 9.824 ( -3.687 -6.073 3.681) 8.002 10.067 ( 1.656 -1.153 8.001) 8.251 10.353 ( 0.577 1.799 9.126) 9.319 10.913 ( -4.040 -8.111 7.110) 11.518 11.131 ( -8.273 -6.936 -3.369) 11.310 11.257 ( 1.237 9.194 9.599) 13.349 11.636 ( -7.716 5.854 -3.432) 10.275 11.801 ( -1.337 3.607 3.363) 5.110 12.081 ( 1.005 -9.776 10.226) 14.183 12.185 ( -2.325 0.785 -3.232) 4.058 12.488 ( -2.208 -1.795 -4.681) 5.479 12.652 ( 4.774 -3.259 -5.517) 7.991 12.761 ( 1.848 -3.161 -6.224) 7.221 13.126 ( -1.358 0.764 3.134) 3.500 13.199 ( -3.397 -2.722 -0.315) 4.364 13.465 ( 0.623 -2.431 3.030) 3.934 13.506 ( 2.227 -3.276 1.365) 4.190 13.896 ( 7.516 13.562 4.320) 16.096 13.976 ( 2.576 12.555 -0.040) 12.816 14.099 ( -5.398 10.820 10.366) 15.927 14.350 ( -1.050 6.812 -1.833) 7.132 14.491 ( -1.945 11.287 -5.795) 12.836 14.682 ( 2.867 1.030 6.533) 7.208 14.751 ( 4.504 -6.131 -6.721) 10.151 14.879 ( 2.115 -7.005 -1.672) 7.506 14.948 ( -2.514 -2.004 -7.356) 8.027 15.084 ( 4.357 -1.671 -8.565) 9.754 15.345 ( -2.803 4.894 -8.602) 10.286 15.492 ( 1.155 7.863 -2.236) 8.256 15.685 ( -6.510 -0.843 -2.764) 7.123 16.081 ( -6.043 1.320 -1.309) 6.322 16.562 ( 10.432 -3.970 0.774) 11.189 17.422 ( -5.209 -16.411 2.645) 17.420 24.416 ( 5.243 4.808 -0.464) 7.129 24.762 ( 0.347 2.024 -0.627) 2.147 24.885 ( 2.894 7.180 2.360) 8.093 25.078 ( 2.925 13.618 -6.545) 15.390 25.576 ( -3.608 -7.091 11.458) 13.950 26.275 ( -3.332 -15.139 -9.266) 18.059 28.366 ( -0.395 -1.725 -0.573) 1.860 28.431 ( -1.105 -2.544 -0.111) 2.776 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 20.624 9.751 7.065) 23.882 2.792 ( 5.473 4.743 8.552) 11.207 3.179 ( 2.427 -3.106 8.087) 8.997 3.592 ( 2.125 4.230 -1.063) 4.851 3.873 ( 0.004 4.122 5.109) 6.565 3.913 ( 0.095 -4.322 4.221) 6.042 5.986 ( -3.952 12.000 -5.454) 13.761 6.155 ( -6.791 6.859 -10.015) 13.909 6.744 ( 6.185 1.656 10.912) 12.652 7.064 ( -0.262 -0.717 -2.226) 2.353 7.313 ( 6.296 1.163 1.150) 6.505 7.607 ( -2.016 -4.193 -2.057) 5.087 8.014 ( -1.175 6.603 -2.326) 7.098 8.286 ( -3.331 -7.011 -6.060) 9.847 8.451 ( 6.502 -9.517 -0.220) 11.528 8.543 ( 3.389 -8.098 -2.387) 9.097 8.991 ( 14.401 -5.221 -4.369) 15.929 9.332 ( 1.391 4.074 4.243) 6.044 9.423 ( 2.626 8.766 4.840) 10.352 9.756 ( -2.744 -18.306 0.851) 18.530 10.104 ( 2.280 7.142 2.308) 7.844 10.370 ( 0.924 1.294 13.651) 13.743 10.781 ( -10.350 -9.782 9.384) 17.055 10.939 ( -10.732 -7.303 -1.963) 13.128 11.288 ( 2.004 9.858 6.958) 12.231 11.491 ( -6.631 7.453 -7.977) 12.774 11.796 ( 1.091 6.139 2.889) 6.872 12.055 ( -2.120 -2.997 3.295) 4.933 12.147 ( -2.682 0.428 -1.274) 3.000 12.492 ( 3.004 -5.113 4.460) 7.420 12.696 ( -3.401 -3.089 -2.185) 5.088 12.792 ( 2.966 -4.560 -3.019) 6.221 13.057 ( -5.535 0.435 1.409) 5.728 13.140 ( -2.566 -2.847 -3.566) 5.235 13.495 ( 0.905 -1.207 -0.166) 1.517 13.548 ( 3.210 -0.916 3.338) 4.721 13.968 ( -6.040 9.057 4.081) 11.626 14.008 ( 4.945 13.385 -3.008) 14.583 14.079 ( 3.329 6.211 5.067) 8.679 14.344 ( 2.356 8.958 2.608) 9.623 14.451 ( -1.967 8.166 -4.393) 9.479 14.754 ( 4.140 2.098 8.238) 9.456 14.842 ( 3.279 -6.605 -3.735) 8.266 14.912 ( 1.493 -3.557 -10.297) 10.996 14.957 ( 4.814 -3.463 -1.637) 6.152 15.163 ( 3.558 -1.397 -6.718) 7.729 15.284 ( -3.527 3.913 -3.853) 6.526 15.484 ( -3.280 4.812 -5.059) 7.714 15.585 ( -1.958 3.627 -6.963) 8.091 15.954 ( -7.245 9.128 -2.797) 11.985 16.759 ( 9.522 -10.880 1.560) 14.543 17.295 ( -7.624 -16.073 2.262) 17.932 24.546 ( 7.852 4.600 2.054) 9.329 24.785 ( 2.233 6.427 -1.260) 6.919 24.898 ( -1.539 5.893 3.390) 6.971 25.191 ( 7.099 8.995 -7.240) 13.555 25.496 ( -3.203 -6.960 9.010) 11.827 26.181 ( -6.582 -13.148 -8.405) 16.936 28.358 ( -0.428 -2.240 -0.545) 2.345 28.405 ( -1.515 -2.761 -0.217) 3.157 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 9.371 5.467 7.574) 13.231 2.999 ( 12.129 11.014 6.367) 17.578 3.221 ( 1.468 4.720 11.050) 12.105 3.529 ( -8.687 11.959 -0.163) 14.783 3.858 ( 4.076 -2.538 4.652) 6.685 3.995 ( 2.698 -11.761 2.497) 12.322 5.939 ( -0.869 12.896 -7.126) 14.759 6.035 ( -5.501 10.115 -9.520) 14.940 6.850 ( 5.112 1.650 8.500) 10.056 7.022 ( -3.613 0.740 0.923) 3.801 7.430 ( 5.575 -1.855 2.593) 6.422 7.571 ( -2.245 -7.883 1.850) 8.403 8.040 ( 3.479 2.339 -5.361) 6.805 8.211 ( -4.351 -5.437 -6.173) 9.306 8.550 ( 3.774 -12.146 -1.704) 12.832 8.591 ( 1.478 -10.037 -2.833) 10.534 9.248 ( 10.127 -0.113 -3.158) 10.609 9.357 ( 0.749 5.069 5.616) 7.603 9.485 ( 5.939 3.955 4.388) 8.377 9.735 ( -0.289 -12.915 2.224) 13.108 10.152 ( 2.692 5.779 -4.419) 7.757 10.356 ( -4.273 -4.964 15.427) 16.760 10.576 ( -7.152 -6.948 9.128) 13.519 10.742 ( -9.920 -8.030 1.545) 12.856 11.330 ( 2.248 10.007 1.904) 10.431 11.402 ( -2.841 8.953 -7.698) 12.145 11.843 ( 3.614 6.371 1.140) 7.413 12.010 ( -3.729 -1.240 0.911) 4.034 12.132 ( 3.635 4.936 0.729) 6.173 12.532 ( -11.452 -0.056 4.690) 12.375 12.587 ( 5.531 -6.981 6.421) 10.980 12.820 ( -2.674 -6.038 4.161) 7.805 12.973 ( -0.783 -2.019 -4.033) 4.578 13.088 ( -3.362 -3.755 -6.212) 7.999 13.516 ( 2.093 0.940 -3.730) 4.379 13.595 ( 0.556 0.176 3.225) 3.277 13.894 ( -0.953 8.632 1.688) 8.847 14.023 ( -4.868 8.635 0.451) 9.923 14.133 ( 5.813 6.922 -1.247) 9.125 14.348 ( -4.180 9.191 -4.303) 10.975 14.529 ( 9.984 4.830 9.598) 14.667 14.793 ( -1.528 -0.834 7.155) 7.363 14.876 ( 3.026 -3.883 -4.085) 6.397 14.971 ( 2.403 -3.692 -7.183) 8.426 15.069 ( 5.274 -0.433 -3.322) 6.248 15.201 ( -0.637 0.968 -5.090) 5.220 15.231 ( 0.098 2.417 -2.989) 3.845 15.394 ( -5.010 -0.430 -3.630) 6.202 15.604 ( 2.953 10.239 -10.288) 14.812 15.813 ( -7.308 10.804 -5.249) 14.060 16.914 ( 6.925 -13.846 1.655) 15.570 17.153 ( -6.982 -15.758 1.730) 17.322 24.686 ( 6.073 5.772 4.812) 9.662 24.843 ( -2.051 8.756 2.665) 9.380 24.869 ( 5.354 3.649 -1.030) 6.560 25.197 ( -6.775 2.811 0.974) 7.399 25.574 ( 11.081 -4.578 -1.879) 12.136 26.025 ( -9.835 -10.050 -7.212) 15.803 28.353 ( 0.002 -2.802 -0.528) 2.851 28.378 ( -1.259 -3.033 -0.389) 3.307 ======================= Grid point 274 (95/120) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( -4.105 7.476 8.345) 11.933 3.082 ( 4.105 7.476 8.345) 11.933 3.323 ( -10.801 11.582 4.958) 16.594 3.323 ( 10.801 11.582 4.958) 16.594 3.971 ( -5.047 -8.842 2.721) 10.539 3.971 ( 5.047 -8.842 2.721) 10.539 5.956 ( -2.653 12.278 -8.601) 15.224 5.956 ( 2.653 12.278 -8.601) 15.224 6.942 ( -4.604 1.639 4.793) 6.845 6.942 ( 4.604 1.639 4.793) 6.845 7.516 ( -3.595 -6.113 3.230) 7.793 7.516 ( 3.595 -6.113 3.230) 7.793 8.123 ( -4.810 -2.394 -6.268) 8.256 8.123 ( 4.810 -2.394 -6.268) 8.256 8.595 ( -1.051 -12.297 -2.476) 12.588 8.595 ( 1.051 -12.297 -2.476) 12.588 9.344 ( -2.021 2.693 2.131) 3.985 9.344 ( 2.021 2.693 2.131) 3.985 9.662 ( -8.760 1.130 1.876) 9.030 9.662 ( 8.760 1.130 1.876) 9.030 10.225 ( -6.100 -7.218 4.390) 10.420 10.225 ( 6.100 -7.218 4.390) 10.420 10.584 ( -5.856 -4.865 6.845) 10.238 10.584 ( 5.856 -4.865 6.845) 10.238 11.366 ( -1.546 9.552 -3.649) 10.341 11.366 ( 1.546 9.552 -3.649) 10.341 11.924 ( -4.722 3.752 -0.523) 6.054 11.924 ( 4.722 3.752 -0.523) 6.054 12.291 ( -11.989 3.088 4.478) 13.165 12.291 ( 11.989 3.088 4.478) 13.165 12.712 ( -6.879 -6.490 7.348) 11.977 12.712 ( 6.879 -6.490 7.348) 11.977 13.017 ( -3.736 -4.109 -6.074) 8.230 13.017 ( 3.736 -4.109 -6.074) 8.230 13.568 ( -2.777 0.920 -2.009) 3.549 13.568 ( 2.777 0.920 -2.009) 3.549 13.929 ( -4.076 8.444 2.484) 9.700 13.929 ( 4.076 8.444 2.484) 9.700 14.248 ( -5.911 7.500 -3.716) 10.247 14.248 ( 5.911 7.500 -3.716) 10.247 14.705 ( -7.398 0.485 10.021) 12.465 14.705 ( 7.398 0.485 10.021) 12.465 14.950 ( -3.828 -2.267 -5.304) 6.923 14.950 ( 3.828 -2.267 -5.304) 6.923 15.150 ( -3.829 1.930 -5.752) 7.174 15.150 ( 3.829 1.930 -5.752) 7.174 15.299 ( -5.082 -0.441 -2.492) 5.677 15.299 ( 5.082 -0.441 -2.492) 5.677 15.687 ( -5.693 10.941 -8.440) 14.945 15.687 ( 5.693 10.941 -8.440) 14.945 17.032 ( -5.922 -15.203 1.514) 16.386 17.032 ( 5.922 -15.203 1.514) 16.386 24.776 ( -3.971 7.357 4.142) 9.330 24.776 ( 3.971 7.357 4.142) 9.330 25.029 ( -9.607 2.521 0.859) 9.969 25.029 ( 9.607 2.521 0.859) 9.969 25.811 ( -12.470 -6.564 -5.654) 15.184 25.811 ( 12.470 -6.564 -5.654) 15.184 28.359 ( -0.666 -3.104 -0.501) 3.214 28.359 ( 0.666 -3.104 -0.501) 3.214 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.000 18.036 3.492) 18.371 2.853 ( 0.000 -21.531 0.644) 21.541 2.882 ( 0.000 6.401 8.124) 10.342 3.034 ( 0.000 -7.422 2.840) 7.947 4.092 ( 0.000 8.763 7.921) 11.812 4.171 ( 0.000 1.584 4.201) 4.490 6.287 ( 0.000 5.185 -5.542) 7.590 6.353 ( 0.000 -1.040 -7.610) 7.681 6.641 ( 0.000 6.013 11.681) 13.138 6.815 ( 0.000 -10.247 5.779) 11.764 7.469 ( 0.000 18.935 -4.473) 19.456 7.873 ( 0.000 9.362 -3.191) 9.891 7.874 ( 0.000 -17.388 -4.346) 17.923 8.098 ( 0.000 -10.700 -0.901) 10.738 8.340 ( 0.000 3.171 -9.693) 10.198 8.448 ( 0.000 -7.109 -12.428) 14.318 8.634 ( 0.000 16.786 7.754) 18.491 9.031 ( 0.000 -18.594 0.733) 18.608 9.649 ( 0.000 12.439 7.197) 14.371 9.848 ( 0.000 -5.530 6.977) 8.903 10.057 ( 0.000 8.552 5.371) 10.098 10.283 ( 0.000 -9.132 2.004) 9.349 10.879 ( 0.000 2.772 5.032) 5.745 11.025 ( 0.000 -9.059 -1.955) 9.268 11.474 ( 0.000 12.074 14.382) 18.778 11.750 ( 0.000 -13.541 15.829) 20.830 11.837 ( 0.000 3.501 2.862) 4.522 11.866 ( 0.000 0.846 3.571) 3.670 12.312 ( 0.000 5.792 -4.727) 7.476 12.454 ( 0.000 -7.130 -3.594) 7.985 12.575 ( 0.000 3.533 -12.813) 13.291 12.660 ( 0.000 -4.037 -11.650) 12.330 13.140 ( 0.000 1.336 2.893) 3.186 13.185 ( 0.000 -2.612 2.026) 3.305 13.413 ( 0.000 -1.091 2.232) 2.484 13.423 ( 0.000 -1.763 2.755) 3.271 14.113 ( 0.000 13.512 7.270) 15.344 14.276 ( 0.000 0.783 11.543) 11.569 14.278 ( 0.000 13.858 -3.067) 14.193 14.521 ( 0.000 -8.269 -1.923) 8.489 14.536 ( 0.000 0.428 -8.421) 8.432 14.564 ( 0.000 -5.779 -3.751) 6.889 14.770 ( 0.000 9.645 -9.105) 13.264 14.785 ( 0.000 5.214 6.534) 8.359 14.929 ( 0.000 -5.403 0.904) 5.478 14.941 ( 0.000 -5.805 -11.647) 13.014 15.565 ( 0.000 11.346 -12.375) 16.789 15.602 ( 0.000 6.019 2.498) 6.517 15.720 ( 0.000 -4.593 1.453) 4.817 15.854 ( 0.000 -14.803 -5.721) 15.870 16.703 ( 0.000 16.609 0.912) 16.634 17.090 ( 0.000 -18.691 2.499) 18.858 24.488 ( 0.000 6.424 -1.129) 6.522 24.630 ( 0.000 -6.635 -0.977) 6.706 25.131 ( 0.000 11.972 5.910) 13.352 25.326 ( 0.000 -0.650 1.391) 1.536 25.532 ( 0.000 10.483 -0.129) 10.484 25.921 ( 0.000 -19.592 -8.160) 21.223 28.360 ( 0.000 0.575 -0.988) 1.143 28.391 ( 0.000 -2.130 -0.733) 2.253 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 14.353 14.992 4.399) 21.216 2.815 ( 1.553 -1.798 4.361) 4.966 2.997 ( 5.785 -3.509 6.957) 9.705 3.141 ( 11.579 -13.307 0.145) 17.640 4.055 ( -3.816 7.989 7.405) 11.542 4.124 ( -4.872 1.755 4.330) 6.750 6.254 ( -2.860 5.940 -5.207) 8.401 6.319 ( -3.062 -0.229 -6.953) 7.601 6.690 ( 4.519 4.998 11.755) 13.549 6.853 ( 3.540 -10.024 6.474) 12.447 7.477 ( 0.655 16.520 -5.175) 17.324 7.717 ( -7.222 -1.046 -4.616) 8.635 8.041 ( 7.306 -6.724 -3.452) 10.512 8.100 ( 0.757 -8.311 -1.797) 8.537 8.330 ( -1.608 4.283 -7.997) 9.213 8.422 ( -1.082 -3.367 -8.712) 9.402 8.726 ( 8.884 9.520 3.071) 13.379 9.062 ( 3.443 -18.152 0.958) 18.500 9.624 ( -2.507 9.765 7.323) 12.460 9.749 ( -8.244 -1.958 6.360) 10.594 10.128 ( 5.681 6.072 4.260) 9.343 10.307 ( 2.419 -7.742 2.279) 8.425 10.822 ( -6.040 2.220 6.997) 9.506 10.956 ( -7.077 -8.370 -0.074) 10.961 11.487 ( 1.207 11.446 11.530) 16.291 11.690 ( -4.468 -4.146 3.507) 7.033 11.859 ( 0.002 1.189 4.698) 4.846 11.888 ( 3.120 -4.428 10.661) 11.958 12.273 ( -2.929 6.052 -4.150) 7.901 12.409 ( -3.000 -5.825 -3.830) 7.589 12.626 ( 3.633 1.255 -9.511) 10.258 12.684 ( 1.510 -3.634 -9.395) 10.186 13.136 ( -1.504 0.468 1.665) 2.292 13.155 ( -2.820 -1.437 0.516) 3.206 13.430 ( 1.815 -0.545 2.916) 3.478 13.446 ( 2.867 -1.951 2.427) 4.233 14.168 ( 4.114 10.942 7.264) 13.763 14.256 ( -1.289 11.300 -0.098) 11.374 14.264 ( -3.309 4.020 7.267) 8.939 14.436 ( -1.992 -0.929 -0.747) 2.321 14.576 ( 1.467 -5.195 -3.114) 6.232 14.612 ( 3.525 -6.031 -6.266) 9.384 14.740 ( -1.325 6.963 -6.238) 9.442 14.858 ( 5.466 6.224 1.462) 8.411 14.874 ( -2.932 -5.043 -6.007) 8.374 15.005 ( 4.180 -5.722 -6.361) 9.522 15.467 ( -5.449 6.261 -5.015) 9.697 15.594 ( -7.674 -4.701 -1.273) 9.089 15.711 ( 5.788 10.684 -4.483) 12.952 15.969 ( 6.904 -11.341 -1.951) 13.419 16.681 ( -1.935 13.999 0.346) 14.136 17.044 ( -4.652 -18.248 2.103) 18.948 24.537 ( 4.909 6.265 -0.290) 7.964 24.674 ( 4.268 -6.183 -0.199) 7.516 25.123 ( -0.863 11.522 5.894) 12.971 25.330 ( 0.354 -3.605 2.682) 4.507 25.509 ( -2.103 13.103 -2.401) 13.486 25.903 ( -1.813 -19.016 -8.397) 20.866 28.351 ( -0.856 0.383 -0.979) 1.356 28.379 ( -1.137 -2.071 -0.744) 2.477 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 12.504 7.128 8.473) 16.702 2.951 ( 14.238 4.785 4.221) 15.603 3.122 ( 8.151 3.546 6.244) 10.863 3.403 ( 14.217 -15.808 -0.846) 21.277 3.951 ( -7.099 5.462 5.717) 10.626 3.993 ( -8.466 2.037 4.601) 9.848 6.199 ( -2.563 6.832 -5.160) 8.937 6.254 ( -3.445 1.608 -6.085) 7.175 6.786 ( 5.136 3.520 12.676) 14.122 6.925 ( 3.402 -8.925 8.761) 12.961 7.484 ( -0.093 11.114 -6.295) 12.773 7.602 ( -4.920 0.602 -5.620) 7.494 8.079 ( -0.279 -1.528 -3.272) 3.622 8.171 ( 3.032 -9.171 -7.019) 11.940 8.287 ( -1.708 4.254 -2.218) 5.092 8.417 ( -0.247 -5.517 -6.666) 8.657 8.955 ( 14.833 3.708 -0.889) 15.315 9.175 ( 8.584 -14.953 0.784) 17.259 9.569 ( -2.528 3.670 7.518) 8.740 9.585 ( -8.178 0.723 5.295) 9.769 10.241 ( 5.827 6.070 1.335) 8.520 10.366 ( 3.075 -4.122 4.175) 6.624 10.651 ( -11.489 0.867 9.619) 15.009 10.769 ( -11.912 -7.842 3.505) 14.687 11.509 ( 0.858 9.380 3.929) 10.205 11.608 ( -3.940 1.530 -6.054) 7.384 11.871 ( 1.613 1.693 5.585) 6.055 11.939 ( 2.066 -5.647 12.986) 14.311 12.239 ( -0.164 6.709 -1.479) 6.872 12.381 ( 0.608 -5.944 -0.368) 5.987 12.660 ( -1.648 0.080 -3.902) 4.237 12.700 ( 0.769 -3.490 -4.057) 5.407 13.062 ( -5.766 0.537 -1.210) 5.916 13.089 ( -3.958 -1.928 -3.286) 5.493 13.487 ( 3.139 0.533 1.576) 3.552 13.513 ( 3.954 -1.724 2.404) 4.938 14.136 ( -5.784 5.798 5.552) 9.894 14.179 ( -3.241 2.118 4.610) 6.020 14.298 ( 2.942 12.342 -1.936) 12.835 14.468 ( 3.850 0.619 5.110) 6.428 14.582 ( -1.275 1.842 -2.362) 3.255 14.686 ( 3.124 -6.841 0.331) 7.528 14.744 ( 2.571 1.956 -8.936) 9.502 14.840 ( 0.460 -4.627 -8.494) 9.683 14.977 ( 6.842 5.036 -1.769) 8.677 15.093 ( 4.853 -4.877 -6.575) 9.517 15.375 ( -4.339 4.397 -3.260) 6.985 15.462 ( -5.990 -3.527 -1.720) 7.161 15.810 ( 4.397 13.670 -4.378) 15.013 16.051 ( 1.215 -4.787 0.013) 4.939 16.650 ( -0.743 5.298 -1.127) 5.467 16.930 ( -6.809 -17.006 0.895) 18.340 24.659 ( 7.459 5.693 2.062) 9.607 24.774 ( 5.815 -4.475 1.627) 7.516 25.096 ( -2.069 10.745 5.710) 12.342 25.317 ( -2.904 -9.583 7.774) 12.677 25.488 ( 1.298 16.751 -9.870) 19.486 25.855 ( -3.172 -16.784 -9.055) 19.333 28.331 ( -1.158 -0.119 -0.963) 1.510 28.352 ( -1.609 -1.938 -0.800) 2.643 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 11.034 7.334 8.980) 16.006 3.203 ( 9.161 -1.157 10.633) 14.083 3.317 ( 11.244 12.705 3.546) 17.333 3.635 ( 9.580 -12.651 -1.112) 15.908 3.768 ( -11.933 4.516 5.023) 13.713 3.851 ( -5.746 -2.344 2.084) 6.547 6.165 ( -0.954 6.869 -5.361) 8.765 6.197 ( -2.462 3.831 -5.637) 7.247 6.876 ( 4.185 1.688 13.481) 14.216 6.964 ( 0.408 -5.865 11.564) 12.972 7.478 ( -0.210 5.951 -6.591) 8.883 7.527 ( -2.977 1.388 -6.307) 7.112 8.081 ( 0.788 0.705 -5.603) 5.702 8.163 ( -2.623 -1.185 -10.260) 10.656 8.298 ( 2.108 -6.045 1.333) 6.539 8.394 ( -2.166 -8.508 -3.936) 9.621 9.238 ( 11.949 1.131 -4.848) 12.944 9.359 ( 8.210 -10.059 -0.087) 12.985 9.469 ( -1.407 5.112 5.537) 7.666 9.572 ( 3.935 -3.797 4.639) 7.171 10.293 ( -4.294 4.565 4.959) 7.991 10.330 ( -9.745 1.383 12.403) 15.834 10.482 ( -1.344 -0.853 6.041) 6.247 10.572 ( -5.823 -7.305 1.683) 9.492 11.515 ( -0.061 6.047 -5.016) 7.857 11.547 ( -2.326 3.353 -9.602) 10.433 11.917 ( 2.844 1.938 7.580) 8.325 11.966 ( 0.722 -2.448 10.672) 10.973 12.277 ( 4.402 7.686 1.315) 8.954 12.438 ( 4.977 -7.177 3.483) 9.403 12.570 ( -6.905 3.703 2.528) 8.233 12.683 ( -3.525 -6.347 2.663) 7.733 12.959 ( -3.735 0.934 -4.647) 6.035 13.008 ( -4.301 -3.366 -6.095) 8.184 13.536 ( 2.148 1.244 -1.671) 2.992 13.570 ( 1.449 -1.781 0.825) 2.439 14.063 ( -1.299 6.221 5.366) 8.318 14.125 ( -2.694 0.892 7.254) 7.789 14.340 ( 2.486 10.362 -4.932) 11.742 14.487 ( -3.177 0.590 -2.495) 4.083 14.582 ( 2.399 1.505 3.010) 4.133 14.686 ( -2.198 -6.525 -1.135) 6.978 14.834 ( 6.104 1.513 -6.845) 9.295 14.905 ( 4.193 -3.658 -3.742) 6.706 15.105 ( 6.240 3.365 -4.439) 8.364 15.177 ( 3.632 -2.700 -5.694) 7.274 15.300 ( -3.381 3.409 -2.553) 5.438 15.363 ( -4.599 -2.310 -1.555) 5.376 15.880 ( 3.272 13.582 -2.930) 14.274 16.022 ( -3.554 4.308 0.290) 5.592 16.661 ( 1.784 -5.366 -2.291) 6.101 16.805 ( -5.898 -15.009 -0.864) 16.150 24.800 ( 6.809 4.806 5.107) 9.775 24.879 ( 4.698 -2.123 3.705) 6.349 25.053 ( -1.752 9.685 4.972) 11.027 25.217 ( -6.794 -3.928 6.863) 10.425 25.565 ( 5.903 6.178 -11.445) 14.283 25.783 ( -4.505 -11.931 -9.942) 16.170 28.312 ( -0.683 -0.761 -0.959) 1.402 28.324 ( -1.244 -1.734 -0.892) 2.313 ======================= Grid point 283 (100/120) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -4.840 6.202 10.787) 13.352 3.248 ( 4.840 6.202 10.787) 13.352 3.531 ( -12.217 7.359 4.962) 15.101 3.531 ( 12.217 7.359 4.962) 15.101 3.764 ( -4.551 -9.078 -1.019) 10.206 3.764 ( 4.551 -9.078 -1.019) 10.206 6.164 ( -0.898 5.800 -5.495) 8.040 6.164 ( 0.898 5.800 -5.495) 8.040 6.941 ( -2.559 -1.546 13.248) 13.581 6.941 ( 2.559 -1.546 13.248) 13.581 7.487 ( -1.287 2.622 -6.486) 7.113 7.487 ( 1.287 2.622 -6.486) 7.113 8.112 ( -2.381 0.566 -8.205) 8.562 8.112 ( 2.381 0.566 -8.205) 8.562 8.345 ( -2.737 -9.049 -1.001) 9.507 8.345 ( 2.737 -9.049 -1.001) 9.507 9.355 ( -3.057 -0.978 -0.745) 3.295 9.355 ( 3.057 -0.978 -0.745) 3.295 9.615 ( -5.413 -2.135 -1.404) 5.986 9.615 ( 5.413 -2.135 -1.404) 5.986 10.179 ( -1.969 0.186 16.094) 16.215 10.179 ( 1.969 0.186 16.094) 16.215 10.519 ( -2.430 -1.190 0.850) 2.836 10.519 ( 2.430 -1.190 0.850) 2.836 11.519 ( -0.711 3.918 -9.481) 10.283 11.519 ( 0.711 3.918 -9.481) 10.283 11.961 ( -1.372 0.617 8.624) 8.755 11.961 ( 1.372 0.617 8.624) 8.755 12.403 ( -8.223 6.176 2.459) 10.574 12.403 ( 8.223 6.176 2.459) 10.574 12.572 ( -6.987 -6.373 6.685) 11.581 12.572 ( 6.987 -6.373 6.685) 11.581 12.945 ( -1.838 -2.022 -6.309) 6.875 12.945 ( 1.838 -2.022 -6.309) 6.875 13.569 ( -1.195 -0.234 -1.964) 2.311 13.569 ( 1.195 -0.234 -1.964) 2.311 14.076 ( -2.117 4.272 7.144) 8.589 14.076 ( 2.117 4.272 7.144) 8.589 14.407 ( -4.372 6.183 -4.682) 8.903 14.407 ( 4.372 6.183 -4.682) 8.903 14.634 ( -2.914 -5.135 -0.178) 5.907 14.634 ( 2.914 -5.135 -0.178) 5.907 14.927 ( -2.424 -0.155 -3.702) 4.427 14.927 ( 2.424 -0.155 -3.702) 4.427 15.196 ( -2.778 1.795 -4.498) 5.583 15.196 ( 2.778 1.795 -4.498) 5.583 15.286 ( -2.990 -0.780 -2.226) 3.809 15.286 ( 2.990 -0.780 -2.226) 3.809 15.946 ( -3.889 10.441 -1.010) 11.188 15.946 ( 3.889 10.441 -1.010) 11.188 16.714 ( -3.719 -11.735 -2.207) 12.506 16.714 ( 3.719 -11.735 -2.207) 12.506 24.899 ( -3.098 3.179 6.325) 7.727 24.899 ( 3.098 3.179 6.325) 7.727 25.088 ( -5.793 2.418 4.331) 7.627 25.088 ( 5.793 2.418 4.331) 7.627 25.682 ( -5.987 -4.169 -10.810) 13.042 25.682 ( 5.987 -4.169 -10.810) 13.042 28.308 ( -0.306 -1.349 -0.950) 1.679 28.308 ( 0.306 -1.349 -0.950) 1.679 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 -0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 -0.000) 0.000 6.443 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 -0.000) 0.000 7.160 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 0.000 0.000) 0.000 8.169 ( 0.000 0.000 -0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.315 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 0.000) 0.000 10.724 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 -0.000) 0.000 11.078 ( 0.000 0.000 0.000) 0.000 11.142 ( 0.000 0.000 0.000) 0.000 11.540 ( 0.000 0.000 0.000) 0.000 11.847 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 0.000) 0.000 12.269 ( 0.000 0.000 0.000) 0.000 12.602 ( 0.000 0.000 0.000) 0.000 12.655 ( 0.000 0.000 0.000) 0.000 12.809 ( 0.000 0.000 0.000) 0.000 13.227 ( 0.000 0.000 0.000) 0.000 13.271 ( 0.000 0.000 0.000) 0.000 13.588 ( 0.000 0.000 0.000) 0.000 13.615 ( 0.000 0.000 0.000) 0.000 13.629 ( 0.000 0.000 0.000) 0.000 13.652 ( 0.000 0.000 0.000) 0.000 13.777 ( 0.000 0.000 -0.000) 0.000 14.138 ( 0.000 0.000 0.000) 0.000 14.271 ( 0.000 0.000 0.000) 0.000 14.633 ( 0.000 0.000 -0.000) 0.000 14.636 ( 0.000 0.000 0.000) 0.000 14.900 ( 0.000 0.000 0.000) 0.000 14.951 ( 0.000 0.000 -0.000) 0.000 15.089 ( 0.000 0.000 0.000) 0.000 15.091 ( 0.000 0.000 0.000) 0.000 15.410 ( 0.000 0.000 -0.000) 0.000 15.462 ( 0.000 0.000 0.000) 0.000 16.406 ( 0.000 0.000 0.000) 0.000 16.483 ( 0.000 0.000 0.000) 0.000 17.892 ( 0.000 0.000 0.000) 0.000 24.237 ( 0.000 0.000 0.000) 0.000 24.379 ( 0.000 0.000 0.000) 0.000 24.772 ( 0.000 0.000 0.000) 0.000 24.882 ( 0.000 0.000 0.000) 0.000 25.957 ( 0.000 0.000 0.000) 0.000 26.508 ( 0.000 0.000 0.000) 0.000 28.448 ( 0.000 0.000 0.000) 0.000 28.513 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 19.698 0.000 0.000) 19.698 2.923 ( -0.936 0.000 0.000) 0.936 3.334 ( -2.717 0.000 0.000) 2.717 3.410 ( -11.850 0.000 -0.000) 11.850 3.710 ( 1.989 0.000 -0.000) 1.989 4.008 ( 13.217 0.000 0.000) 13.217 5.757 ( -9.652 0.000 0.000) 9.652 5.935 ( -9.247 0.000 -0.000) 9.247 6.487 ( 4.471 0.000 0.000) 4.471 7.083 ( 19.004 0.000 -0.000) 19.004 7.257 ( 9.230 0.000 0.000) 9.230 7.486 ( -15.409 0.000 0.000) 15.409 8.190 ( 2.008 0.000 -0.000) 2.008 8.295 ( 16.832 0.000 0.000) 16.832 8.408 ( -3.882 0.000 0.000) 3.882 8.964 ( 2.973 0.000 -0.000) 2.973 9.002 ( 5.249 0.000 0.000) 5.249 9.115 ( 1.857 0.000 0.000) 1.857 9.174 ( -8.862 0.000 -0.000) 8.862 9.669 ( 11.686 0.000 0.000) 11.686 10.491 ( -3.692 0.000 0.000) 3.692 10.727 ( 0.488 0.000 0.000) 0.488 10.958 ( -2.971 0.000 -0.000) 2.971 11.020 ( -4.099 0.000 -0.000) 4.099 11.210 ( 5.069 0.000 0.000) 5.069 11.406 ( -12.179 0.000 0.000) 12.179 11.754 ( -9.166 0.000 0.000) 9.166 12.186 ( -5.454 0.000 0.000) 5.454 12.210 ( -5.144 0.000 0.000) 5.144 12.645 ( 5.521 0.000 0.000) 5.521 12.724 ( 6.382 0.000 0.000) 6.382 12.816 ( 0.540 0.000 0.000) 0.540 13.209 ( -2.671 0.000 0.000) 2.671 13.312 ( 3.500 0.000 -0.000) 3.500 13.528 ( -5.910 0.000 0.000) 5.910 13.590 ( -1.732 0.000 0.000) 1.732 13.616 ( -1.094 0.000 0.000) 1.094 13.757 ( -2.029 0.000 0.000) 2.029 13.796 ( 13.185 0.000 -0.000) 13.185 14.110 ( -2.107 0.000 0.000) 2.107 14.233 ( -3.588 0.000 0.000) 3.588 14.672 ( 3.695 0.000 0.000) 3.695 14.725 ( 8.785 0.000 -0.000) 8.785 14.907 ( 0.820 0.000 0.000) 0.820 14.965 ( 1.414 0.000 -0.000) 1.414 15.095 ( 0.517 0.000 0.000) 0.517 15.098 ( 0.671 0.000 0.000) 0.671 15.385 ( -2.574 0.000 -0.000) 2.574 15.423 ( -4.135 0.000 0.000) 4.135 16.079 ( -17.739 0.000 0.000) 17.739 16.810 ( 17.664 0.000 0.000) 17.664 17.838 ( -5.304 0.000 0.000) 5.304 24.301 ( 6.558 0.000 0.000) 6.558 24.391 ( 1.291 0.000 0.000) 1.291 24.754 ( -1.840 0.000 0.000) 1.840 24.954 ( 7.205 0.000 0.000) 7.205 25.902 ( -5.521 0.000 0.000) 5.521 26.475 ( -3.536 0.000 -0.000) 3.536 28.447 ( -0.042 0.000 0.000) 0.042 28.505 ( -0.820 0.000 0.000) 0.820 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 20.802 0.000 0.000) 20.802 2.913 ( 0.270 0.000 0.000) 0.270 3.219 ( -8.067 0.000 0.000) 8.067 3.259 ( -5.030 0.000 0.000) 5.030 3.790 ( 7.200 0.000 0.000) 7.200 4.220 ( 8.268 0.000 0.000) 8.268 5.579 ( -8.096 0.000 0.000) 8.096 5.734 ( -10.877 0.000 -0.000) 10.877 6.599 ( 6.884 0.000 0.000) 6.884 7.213 ( -12.762 0.000 0.000) 12.762 7.471 ( 12.508 0.000 0.000) 12.508 7.497 ( 22.791 0.000 -0.000) 22.791 8.233 ( 2.013 0.000 -0.000) 2.013 8.304 ( -6.943 0.000 0.000) 6.943 8.607 ( 15.645 0.000 0.000) 15.645 9.038 ( 4.546 0.000 -0.000) 4.546 9.046 ( -4.085 0.000 0.000) 4.085 9.125 ( 6.812 0.000 0.000) 6.812 9.155 ( 2.078 0.000 0.000) 2.078 9.845 ( 3.970 0.000 0.000) 3.970 10.395 ( -3.881 0.000 0.000) 3.881 10.753 ( 2.271 0.000 0.000) 2.271 10.930 ( 0.620 0.000 0.000) 0.620 10.940 ( -4.177 0.000 -0.000) 4.177 11.151 ( -13.226 0.000 0.000) 13.226 11.318 ( 6.306 0.000 -0.000) 6.306 11.527 ( -14.054 0.000 0.000) 14.054 12.019 ( -10.921 0.000 0.000) 10.921 12.121 ( -2.941 0.000 0.000) 2.941 12.794 ( 8.977 0.000 0.000) 8.977 12.808 ( -2.738 0.000 0.000) 2.738 12.862 ( 7.352 0.000 0.000) 7.352 13.106 ( -7.339 0.000 0.000) 7.339 13.369 ( 1.918 0.000 -0.000) 1.918 13.386 ( -8.474 0.000 0.000) 8.474 13.554 ( -1.754 0.000 0.000) 1.754 13.592 ( -1.741 0.000 0.000) 1.741 13.703 ( -3.550 0.000 -0.000) 3.550 14.085 ( -0.221 0.000 0.000) 0.221 14.103 ( 18.084 0.000 -0.000) 18.084 14.162 ( -3.152 0.000 -0.000) 3.152 14.766 ( 5.794 0.000 0.000) 5.794 14.930 ( 12.010 0.000 -0.000) 12.010 14.935 ( 2.179 0.000 0.000) 2.179 15.001 ( 2.231 0.000 -0.000) 2.231 15.102 ( -0.067 0.000 0.000) 0.067 15.109 ( 0.270 0.000 0.000) 0.270 15.308 ( -7.748 0.000 -0.000) 7.748 15.315 ( -4.707 0.000 0.000) 4.707 15.781 ( -13.554 0.000 0.000) 13.554 17.104 ( 13.045 0.000 0.000) 13.045 17.710 ( -7.653 0.000 0.000) 7.653 24.428 ( 2.492 0.000 0.000) 2.492 24.475 ( 11.407 0.000 0.000) 11.407 24.705 ( -3.269 0.000 0.000) 3.269 25.122 ( 8.810 0.000 0.000) 8.810 25.773 ( -6.571 0.000 0.000) 6.571 26.371 ( -7.456 0.000 -0.000) 7.456 28.447 ( 0.051 0.000 0.000) 0.051 28.486 ( -1.030 0.000 0.000) 1.030 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 10.339 0.000 0.000) 10.339 2.945 ( 3.213 0.000 0.000) 3.213 3.101 ( -4.623 0.000 0.000) 4.623 3.150 ( -6.301 0.000 0.000) 6.301 3.988 ( 12.637 0.000 0.000) 12.637 4.300 ( -0.213 0.000 0.000) 0.213 5.468 ( -3.318 0.000 0.000) 3.318 5.553 ( -7.595 0.000 -0.000) 7.595 6.732 ( 6.849 0.000 0.000) 6.849 7.007 ( -9.051 0.000 0.000) 9.051 7.713 ( 12.775 0.000 0.000) 12.775 7.894 ( 17.866 0.000 -0.000) 17.866 8.148 ( -9.487 0.000 -0.000) 9.487 8.244 ( -1.488 0.000 0.000) 1.488 8.886 ( 13.168 0.000 0.000) 13.168 9.019 ( 0.773 0.000 0.000) 0.773 9.122 ( 3.888 0.000 -0.000) 3.888 9.183 ( 0.703 0.000 0.000) 0.703 9.236 ( 5.383 0.000 0.000) 5.383 9.727 ( -14.664 0.000 0.000) 14.664 10.462 ( 10.241 0.000 -0.000) 10.241 10.787 ( -0.185 0.000 0.000) 0.185 10.869 ( -2.873 0.000 -0.000) 2.873 10.941 ( -8.190 0.000 0.000) 8.190 10.974 ( 3.632 0.000 0.000) 3.632 11.253 ( -13.543 0.000 0.000) 13.543 11.450 ( 7.637 0.000 0.000) 7.637 11.806 ( -11.022 0.000 0.000) 11.022 12.140 ( 5.692 0.000 0.000) 5.692 12.643 ( -14.532 0.000 0.000) 14.532 12.956 ( 7.739 0.000 0.000) 7.739 12.978 ( 4.259 0.000 0.000) 4.259 13.017 ( -1.204 0.000 0.000) 1.204 13.227 ( -7.849 0.000 0.000) 7.849 13.395 ( 1.624 0.000 0.000) 1.624 13.536 ( 0.108 0.000 0.000) 0.108 13.536 ( -4.082 0.000 0.000) 4.082 13.630 ( -3.949 0.000 -0.000) 3.949 14.097 ( 1.089 0.000 0.000) 1.089 14.125 ( -0.861 0.000 -0.000) 0.861 14.452 ( 18.037 0.000 -0.000) 18.037 14.871 ( 3.922 0.000 0.000) 3.922 14.989 ( 3.354 0.000 0.000) 3.354 15.043 ( 1.943 0.000 0.000) 1.943 15.067 ( -4.814 0.000 -0.000) 4.814 15.097 ( -1.096 0.000 0.000) 1.096 15.160 ( 11.158 0.000 0.000) 11.158 15.163 ( -5.089 0.000 0.000) 5.089 15.213 ( -5.736 0.000 -0.000) 5.736 15.556 ( -10.545 0.000 0.000) 10.545 17.306 ( 8.530 0.000 0.000) 8.530 17.568 ( -7.002 0.000 0.000) 7.002 24.485 ( 3.473 0.000 0.000) 3.473 24.635 ( -4.022 0.000 0.000) 4.022 24.719 ( 13.936 0.000 0.000) 13.936 25.182 ( -4.839 0.000 0.000) 4.839 25.750 ( 6.238 0.000 0.000) 6.238 26.192 ( -11.261 0.000 -0.000) 11.261 28.450 ( 0.249 0.000 0.000) 0.249 28.469 ( -0.785 0.000 0.000) 0.785 ======================= Grid point 323 (105/120) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -4.391 0.000 0.000) 4.391 3.023 ( 4.391 0.000 0.000) 4.391 3.032 ( -5.725 0.000 0.000) 5.725 3.032 ( 5.725 0.000 0.000) 5.725 4.209 ( -9.087 0.000 0.000) 9.087 4.209 ( 9.087 0.000 0.000) 9.087 5.458 ( -2.268 0.000 0.000) 2.268 5.458 ( 2.268 0.000 0.000) 2.268 6.860 ( -6.874 0.000 0.000) 6.874 6.860 ( 6.874 0.000 0.000) 6.874 7.947 ( -11.588 0.000 -0.000) 11.588 7.947 ( 11.588 0.000 -0.000) 11.588 8.150 ( -8.971 0.000 0.000) 8.971 8.150 ( 8.971 0.000 0.000) 8.971 9.032 ( -1.434 0.000 0.000) 1.434 9.032 ( 1.434 0.000 0.000) 1.434 9.176 ( -1.612 0.000 -0.000) 1.612 9.176 ( 1.612 0.000 0.000) 1.612 9.417 ( -14.964 0.000 0.000) 14.964 9.417 ( 14.964 0.000 -0.000) 14.964 10.684 ( -10.626 0.000 0.000) 10.626 10.684 ( 10.626 0.000 0.000) 10.626 10.851 ( -1.481 0.000 0.000) 1.481 10.851 ( 1.481 0.000 0.000) 1.481 11.063 ( -6.321 0.000 0.000) 6.321 11.063 ( 6.321 0.000 0.000) 6.321 11.611 ( -9.373 0.000 0.000) 9.373 11.611 ( 9.373 0.000 0.000) 9.373 12.342 ( -14.844 0.000 0.000) 14.844 12.342 ( 14.844 0.000 0.000) 14.844 13.016 ( -0.131 0.000 0.000) 0.131 13.016 ( 0.131 0.000 -0.000) 0.131 13.090 ( -6.782 0.000 0.000) 6.782 13.090 ( 6.782 0.000 0.000) 6.782 13.451 ( -4.256 0.000 0.000) 4.256 13.451 ( 4.256 0.000 0.000) 4.256 13.563 ( -2.722 0.000 0.000) 2.722 13.563 ( 2.722 0.000 0.000) 2.722 14.114 ( -0.627 0.000 0.000) 0.627 14.114 ( 0.627 0.000 0.000) 0.627 14.766 ( -14.040 0.000 0.000) 14.040 14.766 ( 14.040 0.000 0.000) 14.040 15.049 ( -2.361 0.000 0.000) 2.361 15.049 ( 2.361 0.000 0.000) 2.361 15.053 ( -3.110 0.000 0.000) 3.110 15.053 ( 3.110 0.000 0.000) 3.110 15.130 ( -1.173 0.000 -0.000) 1.173 15.130 ( 1.173 0.000 -0.000) 1.173 15.363 ( -10.151 0.000 0.000) 10.151 15.363 ( 10.151 0.000 0.000) 10.151 17.443 ( -6.417 0.000 0.000) 6.417 17.443 ( 6.417 0.000 0.000) 6.417 24.557 ( -4.049 0.000 0.000) 4.049 24.557 ( 4.049 0.000 0.000) 4.049 24.986 ( -13.476 0.000 0.000) 13.476 24.986 ( 13.476 0.000 0.000) 13.476 25.956 ( -12.996 0.000 0.000) 12.996 25.956 ( 12.996 0.000 0.000) 12.996 28.457 ( -0.487 0.000 0.000) 0.487 28.457 ( 0.487 0.000 0.000) 0.487 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 0.000 4.484 0.000) 4.484 2.932 ( 0.000 -0.240 0.000) 0.240 3.304 ( 0.000 -4.833 0.000) 4.833 3.662 ( 0.000 -12.926 0.000) 12.926 3.707 ( 0.000 9.822 0.000) 9.822 3.801 ( 0.000 9.355 0.000) 9.355 5.944 ( 0.000 6.177 0.000) 6.177 6.091 ( 0.000 4.858 -0.000) 4.858 6.525 ( 0.000 7.348 0.000) 7.348 6.945 ( 0.000 5.842 -0.000) 5.842 7.100 ( 0.000 -5.439 0.000) 5.439 7.674 ( 0.000 -1.629 0.000) 1.629 8.032 ( 0.000 -1.651 0.000) 1.651 8.261 ( 0.000 7.700 -0.000) 7.700 8.411 ( 0.000 -3.401 0.000) 3.401 8.783 ( 0.000 -19.167 0.000) 19.167 8.788 ( 0.000 -11.259 -0.000) 11.259 9.124 ( 0.000 12.631 0.000) 12.631 9.310 ( 0.000 -0.695 0.000) 0.695 9.745 ( 0.000 13.352 0.000) 13.352 10.387 ( 0.000 -11.558 0.000) 11.558 10.625 ( 0.000 -6.800 0.000) 6.800 10.961 ( 0.000 -2.357 0.000) 2.357 11.178 ( 0.000 5.410 -0.000) 5.410 11.214 ( 0.000 6.507 0.000) 6.507 11.610 ( 0.000 5.975 0.000) 5.975 11.842 ( 0.000 -0.519 0.000) 0.519 12.196 ( 0.000 -2.297 0.000) 2.297 12.197 ( 0.000 -4.579 0.000) 4.579 12.604 ( 0.000 -4.280 0.000) 4.280 12.617 ( 0.000 0.044 0.000) 0.044 12.749 ( 0.000 -5.565 0.000) 5.565 13.203 ( 0.000 -3.760 -0.000) 3.760 13.241 ( 0.000 0.741 0.000) 0.741 13.551 ( 0.000 -3.052 0.000) 3.052 13.599 ( 0.000 -2.727 0.000) 2.727 13.666 ( 0.000 5.523 0.000) 5.523 13.715 ( 0.000 6.546 0.000) 6.546 13.996 ( 0.000 16.604 -0.000) 16.604 14.232 ( 0.000 7.885 0.000) 7.885 14.297 ( 0.000 2.237 0.000) 2.237 14.634 ( 0.000 0.263 -0.000) 0.263 14.671 ( 0.000 2.316 0.000) 2.316 14.880 ( 0.000 -1.048 -0.000) 1.048 14.953 ( 0.000 0.193 -0.000) 0.193 15.020 ( 0.000 -5.470 0.000) 5.470 15.114 ( 0.000 1.373 0.000) 1.373 15.470 ( 0.000 1.005 -0.000) 1.005 15.544 ( 0.000 10.381 0.000) 10.381 16.388 ( 0.000 -1.022 0.000) 1.022 16.397 ( 0.000 -7.899 0.000) 7.899 17.786 ( 0.000 -9.597 0.000) 9.597 24.267 ( 0.000 2.729 0.000) 2.729 24.513 ( 0.000 11.993 0.000) 11.993 24.836 ( 0.000 5.824 0.000) 5.824 24.848 ( 0.000 -3.123 0.000) 3.123 25.907 ( 0.000 -4.597 0.000) 4.597 26.424 ( 0.000 -7.819 0.000) 7.819 28.417 ( 0.000 -2.497 0.000) 2.497 28.493 ( 0.000 -1.836 0.000) 1.836 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 19.035 3.811 0.000) 19.413 2.898 ( -2.571 -1.710 0.000) 3.087 3.302 ( -0.201 -3.200 0.000) 3.206 3.503 ( -8.024 5.990 0.000) 10.013 3.797 ( -0.169 7.968 -0.000) 7.969 3.917 ( 12.529 -6.314 0.000) 14.030 5.845 ( -8.405 7.546 0.000) 11.296 6.006 ( -7.980 6.114 -0.000) 10.053 6.575 ( 4.596 7.931 0.000) 9.166 7.108 ( 15.390 2.079 -0.000) 15.529 7.146 ( 2.905 -7.792 0.000) 8.316 7.558 ( -6.783 4.001 0.000) 7.875 8.086 ( 1.567 -5.012 -0.000) 5.252 8.364 ( 10.778 3.775 -0.000) 11.420 8.371 ( -3.918 -3.591 0.000) 5.315 8.793 ( 0.768 -17.657 0.000) 17.674 8.867 ( 7.817 -9.337 0.000) 12.178 9.146 ( 2.312 12.496 0.000) 12.708 9.286 ( -1.577 2.845 0.000) 3.253 9.812 ( 6.280 8.483 0.000) 10.555 10.346 ( -4.672 -11.754 0.000) 12.649 10.633 ( 0.997 -6.261 0.000) 6.340 10.937 ( -1.843 -1.418 0.000) 2.326 11.125 ( -4.278 6.016 -0.000) 7.382 11.243 ( 1.496 2.903 -0.000) 3.265 11.473 ( -12.234 5.726 0.000) 13.508 11.771 ( -6.482 1.840 0.000) 6.738 12.149 ( -4.074 -4.032 0.000) 5.732 12.183 ( -3.445 -0.525 0.000) 3.485 12.648 ( 4.312 -0.590 0.000) 4.352 12.671 ( 6.159 -4.357 0.000) 7.545 12.761 ( 1.024 -5.181 0.000) 5.281 13.203 ( -4.243 -0.411 0.000) 4.262 13.220 ( 0.522 -4.532 -0.000) 4.562 13.549 ( 0.732 -1.430 0.000) 1.607 13.581 ( -1.616 -2.573 0.000) 3.039 13.683 ( 1.154 8.174 0.000) 8.255 13.833 ( 11.436 4.127 0.000) 12.157 13.927 ( -6.662 14.142 -0.000) 15.633 14.201 ( -2.912 8.003 0.000) 8.516 14.273 ( -1.958 3.376 0.000) 3.903 14.670 ( 5.437 -0.872 0.000) 5.506 14.778 ( 8.488 4.505 0.000) 9.609 14.880 ( 0.148 -1.635 -0.000) 1.642 14.964 ( 1.074 -0.196 -0.000) 1.092 15.029 ( 0.949 -4.959 0.000) 5.048 15.120 ( 0.540 1.131 0.000) 1.253 15.431 ( -4.079 1.180 -0.000) 4.246 15.510 ( -3.477 9.413 0.000) 10.035 16.058 ( -16.214 -1.335 0.000) 16.269 16.733 ( 16.761 -6.787 0.000) 18.083 17.732 ( -5.305 -9.595 0.000) 10.964 24.330 ( 6.450 2.650 0.000) 6.973 24.516 ( 0.461 11.011 0.000) 11.020 24.819 ( -1.758 5.878 0.000) 6.135 24.925 ( 7.668 -2.460 0.000) 8.053 25.855 ( -5.242 -4.338 0.000) 6.804 26.393 ( -3.301 -7.613 -0.000) 8.298 28.416 ( -0.097 -2.563 0.000) 2.565 28.483 ( -0.930 -1.923 0.000) 2.137 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 20.672 3.122 0.000) 20.907 2.875 ( 0.851 -1.748 0.000) 1.944 3.291 ( -1.379 1.826 0.000) 2.288 3.364 ( -6.846 11.056 -0.000) 13.004 3.821 ( 3.752 3.272 0.000) 4.979 4.128 ( 8.869 -7.940 -0.000) 11.904 5.688 ( -7.244 9.413 0.000) 11.878 5.830 ( -9.662 8.377 -0.000) 12.788 6.679 ( 5.886 7.326 -0.000) 9.398 7.117 ( -5.940 -6.200 0.000) 8.587 7.449 ( 18.691 -4.396 0.000) 19.201 7.559 ( 6.838 4.853 -0.000) 8.385 8.086 ( -0.853 -9.133 -0.000) 9.172 8.272 ( -6.351 -3.089 0.000) 7.062 8.596 ( 12.089 -2.495 0.000) 12.344 8.809 ( 1.054 -14.376 0.000) 14.414 9.050 ( 10.334 -5.523 0.000) 11.717 9.208 ( 4.089 12.332 0.000) 12.993 9.275 ( 0.468 6.081 0.000) 6.099 9.941 ( 5.082 5.494 0.000) 7.484 10.212 ( -7.416 -14.417 0.000) 16.212 10.664 ( 2.055 -5.322 0.000) 5.705 10.916 ( -0.483 -1.097 0.000) 1.198 11.019 ( -7.175 1.295 -0.000) 7.291 11.227 ( -11.756 6.459 0.000) 13.414 11.247 ( -1.572 -1.182 -0.000) 1.967 11.653 ( -4.237 8.845 0.000) 9.807 12.055 ( -8.858 2.675 0.000) 9.253 12.085 ( -1.668 -2.476 0.000) 2.986 12.736 ( 0.017 -3.188 0.000) 3.188 12.798 ( 5.102 -4.049 0.000) 6.514 12.803 ( 7.048 -4.771 -0.000) 8.511 13.089 ( -6.680 -0.375 0.000) 6.690 13.184 ( -4.138 -6.211 -0.000) 7.464 13.518 ( -4.275 -1.709 0.000) 4.604 13.589 ( 2.029 4.544 0.000) 4.977 13.727 ( 2.394 9.719 0.000) 10.010 13.784 ( -6.719 8.780 -0.000) 11.056 14.051 ( 7.725 0.101 0.000) 7.725 14.139 ( -3.183 6.265 -0.000) 7.027 14.285 ( 6.688 7.080 -0.000) 9.739 14.810 ( 8.024 0.681 0.000) 8.053 14.892 ( 1.264 -3.107 0.000) 3.354 14.961 ( 10.370 3.919 -0.000) 11.086 14.994 ( 2.035 -0.760 -0.000) 2.172 15.050 ( 1.138 -3.007 0.000) 3.215 15.132 ( 0.608 0.932 0.000) 1.113 15.316 ( -7.950 1.555 -0.000) 8.101 15.420 ( -5.638 7.586 0.000) 9.452 15.787 ( -12.388 1.600 0.000) 12.491 17.012 ( 12.404 -8.280 0.000) 14.914 17.603 ( -7.701 -9.645 0.000) 12.342 24.500 ( 11.067 2.333 0.000) 11.310 24.535 ( 1.561 9.414 0.000) 9.543 24.772 ( -3.021 6.073 0.000) 6.783 25.103 ( 9.417 -1.526 0.000) 9.540 25.731 ( -6.436 -3.878 0.000) 7.514 26.296 ( -6.976 -6.968 -0.000) 9.860 28.414 ( -0.010 -2.716 0.000) 2.716 28.462 ( -1.229 -2.175 0.000) 2.499 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( 11.127 3.689 0.000) 11.723 2.939 ( 5.548 1.036 -0.000) 5.644 3.232 ( -5.012 6.730 0.000) 8.391 3.241 ( -6.045 10.914 -0.000) 12.476 3.964 ( 10.631 -2.148 0.000) 10.846 4.226 ( 0.928 -6.735 -0.000) 6.799 5.588 ( -3.000 10.475 0.000) 10.896 5.667 ( -6.927 10.043 -0.000) 12.201 6.786 ( 5.263 5.180 0.000) 7.384 6.989 ( -6.437 -1.024 0.000) 6.518 7.740 ( 10.713 0.791 0.000) 10.742 7.767 ( 13.872 -10.740 -0.000) 17.543 8.059 ( -2.201 -12.206 -0.000) 12.403 8.133 ( -8.220 -1.345 0.000) 8.329 8.788 ( 7.333 -8.666 0.000) 11.352 8.838 ( 1.903 -12.191 -0.000) 12.339 9.224 ( 6.865 0.421 0.000) 6.878 9.292 ( 0.900 6.632 -0.000) 6.693 9.311 ( 7.934 11.857 0.000) 14.266 9.830 ( -14.490 7.338 0.000) 16.242 10.260 ( 10.964 -16.302 0.000) 19.646 10.684 ( -1.890 -6.263 0.000) 6.542 10.852 ( -8.694 -6.633 -0.000) 10.935 10.875 ( -4.403 -3.044 0.000) 5.353 11.100 ( -0.832 7.877 0.000) 7.921 11.193 ( -3.254 2.357 -0.000) 4.018 11.643 ( 2.767 11.662 0.000) 11.985 11.883 ( -8.770 5.876 0.000) 10.556 12.122 ( 6.296 -0.944 0.000) 6.366 12.602 ( -12.915 -2.763 0.000) 13.207 12.904 ( 4.620 -5.695 0.000) 7.334 12.920 ( 4.878 -4.750 -0.000) 6.808 13.015 ( -0.737 0.341 -0.000) 0.812 13.092 ( -4.905 -6.801 0.000) 8.385 13.456 ( -1.524 -0.714 0.000) 1.683 13.551 ( -5.016 7.956 0.000) 9.405 13.734 ( 0.379 7.514 -0.000) 7.524 13.749 ( -0.000 11.500 0.000) 11.500 14.096 ( -1.050 2.503 0.000) 2.714 14.099 ( 0.094 -0.067 -0.000) 0.116 14.537 ( 16.391 6.075 -0.000) 17.481 14.928 ( 2.347 -4.762 -0.000) 5.309 14.937 ( 4.269 -0.856 0.000) 4.354 15.037 ( 2.447 -0.629 -0.000) 2.527 15.068 ( -0.904 -0.341 0.000) 0.966 15.101 ( -2.787 2.058 0.000) 3.465 15.129 ( -1.735 4.299 -0.000) 4.636 15.208 ( 6.475 1.389 0.000) 6.622 15.305 ( -6.288 6.835 -0.000) 9.288 15.576 ( -10.200 2.833 0.000) 10.587 17.205 ( 8.142 -9.210 0.000) 12.294 17.460 ( -7.026 -9.748 0.000) 12.016 24.575 ( 2.690 8.041 0.000) 8.479 24.696 ( -0.577 5.131 0.000) 5.163 24.748 ( 10.344 3.013 0.000) 10.774 25.178 ( -4.026 -0.267 0.000) 4.035 25.705 ( 5.893 -4.160 0.000) 7.213 26.128 ( -10.643 -5.947 -0.000) 12.192 28.416 ( 0.259 -2.827 0.000) 2.839 28.440 ( -0.994 -2.510 0.000) 2.699 ======================= Grid point 341 (110/120) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -1.889 3.476 0.000) 3.956 3.043 ( 1.889 3.476 0.000) 3.956 3.152 ( -0.910 9.012 0.000) 9.057 3.152 ( 0.910 9.012 0.000) 9.057 4.157 ( -7.912 -4.842 0.000) 9.276 4.157 ( 7.912 -4.842 0.000) 9.276 5.580 ( -2.135 10.701 0.000) 10.912 5.580 ( 2.135 10.701 0.000) 10.912 6.882 ( -5.048 2.378 0.000) 5.580 6.882 ( 5.048 2.378 0.000) 5.580 7.920 ( -3.994 -9.040 0.000) 9.883 7.920 ( 3.994 -9.040 -0.000) 9.883 8.001 ( -0.678 -4.857 0.000) 4.904 8.001 ( 0.678 -4.857 0.000) 4.904 8.859 ( -0.536 -11.751 0.000) 11.764 8.859 ( 0.536 -11.751 0.000) 11.764 9.293 ( -1.244 5.480 0.000) 5.620 9.293 ( 1.244 5.480 0.000) 5.620 9.536 ( -14.858 9.471 0.000) 17.619 9.536 ( 14.858 9.471 -0.000) 17.619 10.508 ( -13.717 -13.930 0.000) 19.550 10.508 ( 13.717 -13.930 0.000) 19.550 10.803 ( -2.005 -3.514 0.000) 4.046 10.803 ( 2.005 -3.514 0.000) 4.046 11.134 ( -2.947 6.053 0.000) 6.732 11.134 ( 2.947 6.053 0.000) 6.732 11.735 ( -6.566 9.103 0.000) 11.224 11.735 ( 6.566 9.103 0.000) 11.224 12.325 ( -14.209 -0.940 0.000) 14.240 12.325 ( 14.209 -0.940 0.000) 14.240 12.966 ( -1.004 -4.425 -0.000) 4.538 12.966 ( 1.004 -4.425 0.000) 4.538 13.021 ( -1.566 -4.967 -0.000) 5.208 13.021 ( 1.566 -4.967 0.000) 5.208 13.470 ( -2.843 3.363 0.000) 4.404 13.470 ( 2.843 3.363 0.000) 4.404 13.743 ( -0.387 11.363 0.000) 11.370 13.743 ( 0.387 11.363 0.000) 11.370 14.094 ( -0.392 0.289 0.000) 0.487 14.094 ( 0.392 0.289 0.000) 0.487 14.842 ( -14.883 4.832 0.000) 15.647 14.842 ( 14.883 4.832 0.000) 15.647 14.968 ( -1.402 -6.144 0.000) 6.302 14.968 ( 1.402 -6.144 0.000) 6.302 15.080 ( -1.700 0.579 0.000) 1.796 15.080 ( 1.700 0.579 0.000) 1.796 15.188 ( -5.650 6.334 -0.000) 8.488 15.188 ( 5.650 6.334 -0.000) 8.488 15.387 ( -9.899 2.712 0.000) 10.264 15.387 ( 9.899 2.712 0.000) 10.264 17.337 ( -6.264 -9.676 0.000) 11.526 17.337 ( 6.264 -9.676 0.000) 11.526 24.635 ( -3.451 6.978 0.000) 7.785 24.635 ( 3.451 6.978 0.000) 7.785 24.996 ( -12.795 0.882 0.000) 12.825 24.996 ( 12.795 0.882 0.000) 12.825 25.903 ( -12.479 -4.874 0.000) 13.397 25.903 ( 12.479 -4.874 0.000) 13.397 28.425 ( -0.613 -2.766 0.000) 2.833 28.425 ( 0.613 -2.766 0.000) 2.833 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.000 10.262 0.000) 10.262 2.933 ( 0.000 0.761 0.000) 0.761 3.181 ( 0.000 -6.062 0.000) 6.062 3.299 ( 0.000 -19.805 0.000) 19.805 3.964 ( 0.000 12.633 0.000) 12.633 4.037 ( 0.000 10.956 0.000) 10.956 6.098 ( 0.000 7.335 0.000) 7.335 6.208 ( 0.000 5.100 -0.000) 5.100 6.713 ( 0.000 8.168 0.000) 8.168 6.956 ( 0.000 -6.888 0.000) 6.888 7.110 ( 0.000 10.195 0.000) 10.195 7.683 ( 0.000 3.409 0.000) 3.409 8.009 ( 0.000 -1.851 0.000) 1.851 8.295 ( 0.000 -7.537 0.000) 7.537 8.434 ( 0.000 -12.107 0.000) 12.107 8.467 ( 0.000 11.184 0.000) 11.184 8.482 ( 0.000 -15.554 -0.000) 15.554 9.257 ( 0.000 -5.627 0.000) 5.627 9.433 ( 0.000 15.077 0.000) 15.077 9.940 ( 0.000 4.278 0.000) 4.278 10.132 ( 0.000 -8.846 0.000) 8.846 10.476 ( 0.000 -7.244 0.000) 7.244 10.920 ( 0.000 -1.197 0.000) 1.197 11.176 ( 0.000 -6.219 -0.000) 6.219 11.408 ( 0.000 11.210 -0.000) 11.210 11.760 ( 0.000 7.152 0.000) 7.152 11.854 ( 0.000 2.444 0.000) 2.444 12.120 ( 0.000 -5.259 0.000) 5.259 12.163 ( 0.000 1.896 0.000) 1.896 12.504 ( 0.000 -4.316 0.000) 4.316 12.561 ( 0.000 -5.282 0.000) 5.282 12.591 ( 0.000 -8.146 0.000) 8.146 13.156 ( 0.000 -0.678 -0.000) 0.678 13.236 ( 0.000 -1.214 0.000) 1.214 13.481 ( 0.000 -2.953 0.000) 2.953 13.523 ( 0.000 -3.848 0.000) 3.848 13.870 ( 0.000 13.126 0.000) 13.126 13.938 ( 0.000 13.502 0.000) 13.502 14.338 ( 0.000 11.713 -0.000) 11.713 14.355 ( 0.000 2.957 0.000) 2.957 14.429 ( 0.000 9.479 0.000) 9.479 14.662 ( 0.000 2.218 0.000) 2.218 14.680 ( 0.000 -2.289 0.000) 2.289 14.863 ( 0.000 -1.038 0.000) 1.038 14.867 ( 0.000 -7.043 -0.000) 7.043 14.956 ( 0.000 -0.010 -0.000) 0.010 15.174 ( 0.000 5.125 0.000) 5.125 15.522 ( 0.000 4.034 0.000) 4.034 15.738 ( 0.000 5.088 0.000) 5.088 16.152 ( 0.000 -14.700 0.000) 14.700 16.431 ( 0.000 7.196 0.000) 7.196 17.502 ( 0.000 -16.273 0.000) 16.273 24.351 ( 0.000 5.038 0.000) 5.038 24.753 ( 0.000 -5.530 0.000) 5.530 24.856 ( 0.000 19.011 0.000) 19.011 25.010 ( 0.000 9.973 0.000) 9.973 25.766 ( 0.000 -8.267 0.000) 8.267 26.178 ( 0.000 -14.888 0.000) 14.888 28.364 ( 0.000 -1.880 0.000) 1.880 28.441 ( 0.000 -2.803 0.000) 2.803 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 17.724 9.392 0.000) 20.059 2.875 ( -3.084 -0.227 0.000) 3.092 3.205 ( 2.663 -5.350 0.000) 5.976 3.431 ( 10.129 -13.413 -0.000) 16.808 3.947 ( -1.334 9.320 0.000) 9.415 4.007 ( -2.996 10.063 -0.000) 10.500 6.035 ( -5.488 9.126 0.000) 10.649 6.156 ( -4.959 6.674 -0.000) 8.315 6.781 ( 5.824 8.892 -0.000) 10.630 6.984 ( 2.255 -6.558 0.000) 6.935 7.176 ( 6.732 5.714 0.000) 8.830 7.617 ( -4.352 2.350 0.000) 4.946 8.048 ( 0.601 0.520 0.000) 0.794 8.251 ( -3.732 -7.398 0.000) 8.286 8.386 ( 0.566 -5.037 0.000) 5.069 8.472 ( 3.066 -11.410 0.000) 11.815 8.676 ( 12.390 -3.245 0.000) 12.808 9.293 ( 3.764 -3.918 0.000) 5.433 9.444 ( 1.202 14.036 0.000) 14.087 9.866 ( -6.243 -3.817 0.000) 7.318 10.151 ( 0.661 -2.957 0.000) 3.030 10.496 ( 2.091 -6.894 -0.000) 7.204 10.911 ( -0.835 -0.858 0.000) 1.197 11.104 ( -7.563 -6.826 -0.000) 10.188 11.400 ( -0.856 10.725 -0.000) 10.759 11.615 ( -12.123 6.569 0.000) 13.789 11.839 ( -1.118 3.928 0.000) 4.084 12.116 ( -3.578 1.826 0.000) 4.017 12.153 ( 0.431 -2.619 0.000) 2.654 12.564 ( 2.199 -7.968 0.000) 8.266 12.573 ( 6.065 -4.077 -0.000) 7.308 12.631 ( 2.624 -5.506 0.000) 6.099 13.159 ( -0.969 -1.427 0.000) 1.725 13.187 ( -4.686 -1.169 0.000) 4.830 13.497 ( 2.711 -2.492 0.000) 3.682 13.522 ( -0.572 -2.689 -0.000) 2.749 13.919 ( 2.553 13.246 0.000) 13.490 13.997 ( 7.550 10.892 0.000) 13.253 14.219 ( -10.532 10.973 0.000) 15.209 14.359 ( 0.832 4.301 0.000) 4.381 14.423 ( -2.329 11.218 0.000) 11.457 14.633 ( 3.903 -2.592 0.000) 4.685 14.804 ( 5.365 -6.200 0.000) 8.199 14.846 ( -1.632 -1.993 0.000) 2.576 14.937 ( 7.342 -0.677 -0.000) 7.373 14.958 ( 0.337 -0.296 0.000) 0.448 15.174 ( 0.060 5.275 0.000) 5.275 15.499 ( -2.337 5.618 0.000) 6.085 15.654 ( -7.378 1.305 0.000) 7.492 16.067 ( -6.698 1.672 0.000) 6.903 16.571 ( 11.082 -5.255 0.000) 12.265 17.449 ( -5.314 -16.250 0.000) 17.096 24.412 ( 6.210 4.928 0.000) 7.928 24.755 ( 0.202 2.911 0.000) 2.918 24.927 ( 7.133 10.188 0.000) 12.437 24.993 ( -1.674 9.981 0.000) 10.120 25.721 ( -4.568 -7.914 0.000) 9.138 26.153 ( -2.613 -14.522 -0.000) 14.756 28.360 ( -0.379 -2.072 0.000) 2.107 28.429 ( -1.130 -2.869 0.000) 3.083 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 20.688 8.705 0.000) 22.445 2.880 ( 4.002 2.491 0.000) 4.714 3.285 ( 5.570 -2.833 0.000) 6.249 3.560 ( 1.410 2.406 -0.000) 2.789 3.934 ( -3.971 6.518 0.000) 7.632 3.955 ( 3.071 -4.228 -0.000) 5.226 5.930 ( -4.928 11.851 0.000) 12.835 6.043 ( -6.430 9.943 -0.000) 11.841 6.887 ( 4.705 10.340 -0.000) 11.360 7.012 ( 0.256 -3.137 0.000) 3.147 7.341 ( 9.652 -3.736 0.000) 10.350 7.578 ( 0.525 -2.658 0.000) 2.710 8.003 ( -3.625 2.040 -0.000) 4.159 8.173 ( -4.386 -5.959 0.000) 7.399 8.466 ( 5.542 -9.742 0.000) 11.208 8.531 ( 2.929 -10.805 0.000) 11.195 8.936 ( 14.486 -3.296 0.000) 14.856 9.386 ( 5.020 2.130 0.000) 5.454 9.478 ( 2.471 11.318 0.000) 11.585 9.756 ( -4.024 -16.600 0.000) 17.081 10.134 ( -2.231 4.504 0.000) 5.026 10.553 ( 3.678 -5.745 -0.000) 6.821 10.884 ( -2.619 -1.984 0.000) 3.286 10.897 ( -13.722 -8.058 -0.000) 15.913 11.371 ( -2.294 9.084 0.000) 9.370 11.388 ( -10.035 7.618 -0.000) 12.599 11.831 ( 0.612 6.549 0.000) 6.577 12.075 ( 0.248 3.026 0.000) 3.036 12.103 ( -4.737 1.309 0.000) 4.914 12.634 ( 2.695 -9.319 0.000) 9.701 12.667 ( 1.654 -4.134 0.000) 4.453 12.698 ( 6.528 -4.405 -0.000) 7.875 13.085 ( -5.397 -0.635 0.000) 5.434 13.092 ( -5.589 -2.827 0.000) 6.264 13.489 ( -2.511 -0.627 0.000) 2.589 13.590 ( 5.598 -2.189 0.000) 6.011 13.969 ( 2.672 12.434 0.000) 12.718 14.010 ( -9.874 10.372 0.000) 14.320 14.136 ( 4.396 6.701 0.000) 8.014 14.347 ( -4.935 11.259 0.000) 12.293 14.436 ( 8.760 6.977 -0.000) 11.199 14.740 ( 4.898 -6.605 0.000) 8.223 14.812 ( -1.593 -4.537 0.000) 4.808 14.908 ( 6.516 -6.386 0.000) 9.123 14.979 ( 2.083 -0.293 -0.000) 2.104 15.089 ( 7.085 -0.807 0.000) 7.130 15.177 ( 0.363 6.258 0.000) 6.269 15.442 ( -3.116 11.227 0.000) 11.651 15.510 ( -7.092 -0.472 0.000) 7.107 15.923 ( -8.407 10.842 0.000) 13.720 16.776 ( 9.771 -12.396 0.000) 15.784 17.318 ( -7.869 -16.304 0.000) 18.104 24.574 ( 10.437 4.487 0.000) 11.360 24.764 ( 0.807 8.614 0.000) 8.652 24.949 ( -2.852 9.985 0.000) 10.384 25.098 ( 9.494 3.723 0.000) 10.198 25.610 ( -6.102 -7.319 0.000) 9.529 26.077 ( -5.508 -13.297 -0.000) 14.392 28.352 ( -0.412 -2.559 0.000) 2.592 28.402 ( -1.596 -3.070 0.000) 3.460 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 9.254 6.000 -0.000) 11.029 3.068 ( 12.199 9.295 0.000) 15.337 3.371 ( 1.286 4.361 0.000) 4.546 3.497 ( -6.435 11.313 -0.000) 13.015 3.907 ( 2.601 -2.567 0.000) 3.654 4.024 ( 2.272 -11.458 -0.000) 11.682 5.863 ( -1.898 13.650 0.000) 13.782 5.930 ( -5.043 12.779 -0.000) 13.738 6.951 ( 2.158 9.471 -0.000) 9.713 6.999 ( -1.135 2.429 0.000) 2.681 7.508 ( 7.281 -11.276 0.000) 13.422 7.610 ( 1.579 -10.989 0.000) 11.102 7.961 ( -0.153 2.469 -0.000) 2.473 8.086 ( -4.686 -3.182 0.000) 5.664 8.551 ( 3.183 -12.604 0.000) 13.000 8.576 ( 1.592 -11.605 0.000) 11.713 9.195 ( 11.686 -1.996 0.000) 11.855 9.424 ( -1.602 5.376 0.000) 5.610 9.550 ( 5.583 7.911 0.000) 9.683 9.748 ( 1.502 -18.834 0.000) 18.893 10.104 ( 1.347 7.329 0.000) 7.452 10.561 ( -12.014 -4.208 0.000) 12.730 10.664 ( -1.434 -8.678 -0.000) 8.795 10.800 ( -5.527 -4.397 0.000) 7.063 11.274 ( -2.093 7.646 0.000) 7.927 11.319 ( -2.791 6.844 -0.000) 7.391 11.862 ( 2.508 8.155 0.000) 8.532 12.006 ( -5.010 4.965 0.000) 7.054 12.145 ( 7.257 4.100 0.000) 8.335 12.555 ( -9.298 -1.536 0.000) 9.424 12.747 ( 4.910 -8.375 0.000) 9.708 12.810 ( 4.965 -5.157 0.000) 7.158 12.977 ( -5.868 -4.021 -0.000) 7.114 12.997 ( -3.930 -1.996 0.000) 4.408 13.466 ( 0.952 1.113 0.000) 1.464 13.624 ( -3.256 -1.123 0.000) 3.444 13.915 ( 0.788 10.055 -0.000) 10.086 13.999 ( 0.043 11.920 0.000) 11.920 14.171 ( 0.698 5.609 0.000) 5.652 14.254 ( -4.387 10.138 -0.000) 11.047 14.659 ( 12.523 4.426 -0.000) 13.283 14.792 ( 0.951 -9.838 -0.000) 9.884 14.801 ( 0.854 -6.353 0.000) 6.410 15.010 ( 1.300 -4.062 0.000) 4.265 15.035 ( 3.570 0.706 -0.000) 3.639 15.147 ( -0.546 1.748 0.000) 1.831 15.206 ( 2.453 0.630 0.000) 2.532 15.391 ( -5.619 0.187 0.000) 5.622 15.437 ( 4.165 18.254 0.000) 18.723 15.752 ( -9.441 13.495 0.000) 16.470 16.933 ( 6.847 -15.324 0.000) 16.784 17.172 ( -7.186 -16.515 0.000) 18.011 24.788 ( 1.775 10.108 0.000) 10.263 24.792 ( 12.042 3.836 -0.000) 12.638 24.891 ( -3.039 9.695 0.000) 10.160 25.186 ( -3.196 1.894 0.000) 3.715 25.578 ( 5.270 -7.469 0.000) 9.141 25.942 ( -8.647 -11.165 -0.000) 14.122 28.348 ( 0.002 -3.091 0.000) 3.091 28.374 ( -1.337 -3.317 0.000) 3.576 ======================= Grid point 359 (115/120) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( -3.984 8.405 0.000) 9.302 3.171 ( 3.984 8.405 0.000) 9.302 3.375 ( -4.045 10.570 0.000) 11.318 3.375 ( 4.045 10.570 0.000) 11.318 4.001 ( -4.618 -9.640 0.000) 10.689 4.001 ( 4.618 -9.640 0.000) 10.689 5.863 ( -1.863 14.059 0.000) 14.182 5.863 ( 1.863 14.059 0.000) 14.182 6.979 ( -1.063 6.683 0.000) 6.767 6.979 ( 1.063 6.683 0.000) 6.767 7.603 ( -2.650 -14.492 0.000) 14.732 7.603 ( 2.650 -14.492 0.000) 14.732 8.001 ( -3.902 0.596 0.000) 3.947 8.001 ( 3.902 0.596 0.000) 3.947 8.586 ( -0.571 -13.113 0.000) 13.125 8.586 ( 0.571 -13.113 0.000) 13.125 9.354 ( -5.482 0.645 0.000) 5.520 9.354 ( 5.482 0.645 0.000) 5.520 9.688 ( -7.480 0.766 0.000) 7.519 9.688 ( 7.480 0.766 -0.000) 7.519 10.264 ( -14.467 -3.873 0.000) 14.976 10.264 ( 14.467 -3.873 0.000) 14.976 10.711 ( -3.565 -5.357 0.000) 6.435 10.711 ( 3.565 -5.357 0.000) 6.435 11.276 ( -1.546 6.243 0.000) 6.432 11.276 ( 1.546 6.243 0.000) 6.432 11.922 ( -3.783 7.586 0.000) 8.477 11.922 ( 3.783 7.586 0.000) 8.477 12.337 ( -12.088 2.570 0.000) 12.358 12.337 ( 12.088 2.570 0.000) 12.358 12.836 ( -3.808 -7.281 -0.000) 8.217 12.836 ( 3.808 -7.281 0.000) 8.217 12.929 ( -2.630 -3.401 0.000) 4.299 12.929 ( 2.630 -3.401 -0.000) 4.299 13.528 ( -5.092 1.077 0.000) 5.204 13.528 ( 5.092 1.077 0.000) 5.204 13.969 ( -2.973 10.227 -0.000) 10.650 13.969 ( 2.973 10.227 0.000) 10.650 14.193 ( -2.014 7.757 0.000) 8.014 14.193 ( 2.014 7.757 0.000) 8.014 14.787 ( -1.414 -9.724 0.000) 9.826 14.787 ( 1.414 -9.724 -0.000) 9.826 14.915 ( -9.378 1.263 0.000) 9.463 14.915 ( 9.378 1.263 0.000) 9.463 15.103 ( -3.319 2.059 0.000) 3.906 15.103 ( 3.319 2.059 0.000) 3.906 15.288 ( -5.320 0.733 0.000) 5.370 15.288 ( 5.320 0.733 0.000) 5.370 15.574 ( -8.960 15.464 0.000) 17.872 15.574 ( 8.960 15.464 0.000) 17.872 17.049 ( -5.880 -16.431 0.000) 17.452 17.049 ( 5.880 -16.431 0.000) 17.452 24.831 ( -2.710 10.399 0.000) 10.746 24.831 ( 2.710 10.399 0.000) 10.746 25.024 ( -11.433 1.917 -0.000) 11.593 25.024 ( 11.433 1.917 0.000) 11.593 25.754 ( -10.773 -8.708 0.000) 13.852 25.754 ( 10.773 -8.708 0.000) 13.852 28.354 ( -0.688 -3.377 0.000) 3.447 28.354 ( 0.688 -3.377 0.000) 3.447 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 0.000 16.359 0.000) 16.359 2.859 ( 0.000 -20.317 0.000) 20.317 2.974 ( 0.000 3.055 0.000) 3.055 3.061 ( 0.000 -4.963 0.000) 4.963 4.181 ( 0.000 6.346 0.000) 6.346 4.207 ( 0.000 3.914 0.000) 3.914 6.229 ( 0.000 4.403 0.000) 4.403 6.273 ( 0.000 0.506 -0.000) 0.506 6.809 ( 0.000 1.464 -0.000) 1.464 6.845 ( 0.000 -3.104 0.000) 3.104 7.422 ( 0.000 18.450 0.000) 18.450 7.825 ( 0.000 -16.580 0.000) 16.580 7.837 ( 0.000 10.527 0.000) 10.527 8.087 ( 0.000 -11.569 0.000) 11.569 8.262 ( 0.000 -3.140 0.000) 3.140 8.274 ( 0.000 -3.516 -0.000) 3.516 8.733 ( 0.000 13.578 -0.000) 13.578 9.036 ( 0.000 -13.853 0.000) 13.853 9.732 ( 0.000 12.155 0.000) 12.155 9.926 ( 0.000 -5.348 0.000) 5.348 10.105 ( 0.000 5.870 0.000) 5.870 10.295 ( 0.000 -9.753 0.000) 9.753 10.920 ( 0.000 1.531 0.000) 1.531 11.007 ( 0.000 -6.941 -0.000) 6.941 11.676 ( 0.000 13.339 -0.000) 13.339 11.883 ( 0.000 3.785 0.000) 3.785 11.909 ( 0.000 1.323 0.000) 1.323 11.947 ( 0.000 -11.015 0.000) 11.015 12.258 ( 0.000 6.449 0.000) 6.449 12.415 ( 0.000 -7.660 0.000) 7.660 12.439 ( 0.000 -1.475 -0.000) 1.475 12.457 ( 0.000 -3.543 0.000) 3.543 13.164 ( 0.000 1.222 -0.000) 1.222 13.200 ( 0.000 -1.925 0.000) 1.925 13.440 ( 0.000 -0.696 0.000) 0.696 13.455 ( 0.000 -2.135 0.000) 2.135 14.191 ( 0.000 15.916 0.000) 15.916 14.245 ( 0.000 14.072 0.000) 14.072 14.415 ( 0.000 2.517 0.000) 2.517 14.436 ( 0.000 -0.900 -0.000) 0.900 14.498 ( 0.000 -7.806 0.000) 7.806 14.530 ( 0.000 -12.607 0.000) 12.607 14.676 ( 0.000 6.444 0.000) 6.444 14.808 ( 0.000 -4.544 0.000) 4.544 14.890 ( 0.000 4.672 0.000) 4.672 14.947 ( 0.000 -1.133 -0.000) 1.133 15.394 ( 0.000 15.912 0.000) 15.912 15.630 ( 0.000 5.509 0.000) 5.509 15.736 ( 0.000 -3.767 0.000) 3.767 15.786 ( 0.000 -18.836 0.000) 18.836 16.712 ( 0.000 17.481 0.000) 17.481 17.116 ( 0.000 -19.189 0.000) 19.189 24.476 ( 0.000 6.492 0.000) 6.492 24.620 ( 0.000 -6.710 0.000) 6.710 25.239 ( 0.000 10.515 0.000) 10.515 25.264 ( 0.000 15.538 -0.000) 15.538 25.588 ( 0.000 -5.277 0.000) 5.277 25.810 ( 0.000 -18.473 -0.000) 18.473 28.349 ( 0.000 0.532 0.000) 0.532 28.383 ( 0.000 -2.383 0.000) 2.383 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 15.311 14.052 0.000) 20.782 2.859 ( 2.492 -4.255 0.000) 4.931 3.096 ( 3.746 -4.111 0.000) 5.561 3.122 ( 12.482 -10.465 -0.000) 16.289 4.136 ( -4.598 6.072 0.000) 7.617 4.165 ( -4.458 3.552 0.000) 5.700 6.198 ( -2.787 5.382 0.000) 6.061 6.246 ( -2.528 1.091 -0.000) 2.753 6.867 ( 5.547 0.360 -0.000) 5.559 6.885 ( 3.918 -2.445 0.000) 4.618 7.422 ( -0.046 15.809 0.000) 15.809 7.666 ( -7.768 -1.516 0.000) 7.915 7.996 ( 6.837 -4.482 0.000) 8.175 8.076 ( -1.144 -8.446 0.000) 8.523 8.252 ( -0.437 -1.328 0.000) 1.398 8.300 ( 2.390 -4.960 -0.000) 5.506 8.786 ( 5.812 10.686 0.000) 12.164 9.072 ( 3.910 -14.513 0.000) 15.031 9.707 ( -2.517 9.613 0.000) 9.937 9.821 ( -8.683 -1.138 0.000) 8.757 10.161 ( 4.020 3.604 0.000) 5.399 10.319 ( 2.522 -9.416 0.000) 9.748 10.905 ( -1.835 0.566 0.000) 1.920 10.958 ( -5.344 -4.926 -0.000) 7.268 11.632 ( -4.417 9.213 -0.000) 10.217 11.713 ( -11.024 1.615 0.000) 11.141 11.917 ( 1.013 3.986 0.000) 4.113 12.049 ( 4.144 -7.130 0.000) 8.246 12.218 ( -2.278 6.850 0.000) 7.219 12.379 ( -0.693 -8.114 0.000) 8.143 12.513 ( 5.913 -1.318 -0.000) 6.058 12.531 ( 4.801 -3.204 0.000) 5.772 13.147 ( -2.608 0.126 0.000) 2.611 13.161 ( -3.905 -1.054 0.000) 4.044 13.463 ( 2.926 -0.519 0.000) 2.972 13.475 ( 1.613 -1.541 -0.000) 2.231 14.225 ( 0.398 14.160 0.000) 14.166 14.247 ( 2.397 11.150 0.000) 11.405 14.356 ( -8.250 0.954 0.000) 8.305 14.452 ( 4.261 4.548 -0.000) 6.232 14.506 ( 1.506 -8.163 -0.000) 8.301 14.591 ( 6.547 -9.437 0.000) 11.486 14.645 ( -3.001 6.077 0.000) 6.778 14.774 ( -3.328 -4.971 0.000) 5.982 14.942 ( 4.464 0.383 0.000) 4.481 14.951 ( 0.746 -0.363 -0.000) 0.830 15.369 ( -2.200 11.330 0.000) 11.541 15.576 ( -8.362 -7.204 0.000) 11.037 15.676 ( 4.135 10.989 0.000) 11.741 15.950 ( 8.340 -12.509 0.000) 15.034 16.685 ( -2.542 14.824 0.000) 15.040 17.065 ( -5.069 -18.875 0.000) 19.544 24.534 ( 5.874 6.321 0.000) 8.629 24.672 ( 5.116 -6.192 0.000) 8.032 25.224 ( -1.609 10.735 0.000) 10.855 25.278 ( 1.580 14.485 -0.000) 14.571 25.549 ( -4.007 -4.784 0.000) 6.240 25.792 ( -1.819 -18.354 -0.000) 18.444 28.341 ( -0.841 0.331 0.000) 0.903 28.371 ( -1.148 -2.314 0.000) 2.583 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 9.090 5.346 -0.000) 10.545 2.975 ( 20.318 9.665 0.000) 22.499 3.202 ( 7.355 -2.053 0.000) 7.636 3.384 ( 13.777 -13.878 -0.000) 19.555 4.012 ( -8.280 4.738 0.000) 9.540 4.042 ( -8.201 2.342 0.000) 8.529 6.142 ( -2.668 6.877 0.000) 7.376 6.190 ( -3.115 2.721 -0.000) 4.136 6.974 ( 4.918 -0.632 -0.000) 4.959 6.987 ( 6.235 -0.888 0.000) 6.298 7.417 ( -0.473 9.668 0.000) 9.680 7.541 ( -5.380 -1.087 0.000) 5.488 8.046 ( -1.957 -4.414 0.000) 4.828 8.049 ( -1.005 -1.567 -0.000) 1.862 8.274 ( 2.524 -3.020 0.000) 3.935 8.346 ( 1.974 -6.676 0.000) 6.962 8.956 ( 11.720 5.805 0.000) 13.078 9.191 ( 8.650 -15.112 0.000) 17.413 9.648 ( -3.143 3.897 0.000) 5.007 9.648 ( -8.603 2.462 -0.000) 8.948 10.236 ( 3.794 5.462 0.000) 6.650 10.390 ( 4.846 -8.681 0.000) 9.942 10.801 ( -11.101 -0.629 0.000) 11.118 10.832 ( -6.276 -2.573 -0.000) 6.783 11.518 ( -8.675 3.896 -0.000) 9.510 11.527 ( -6.074 3.811 0.000) 7.171 11.951 ( 2.486 6.276 0.000) 6.750 12.082 ( -0.081 -4.083 0.000) 4.084 12.212 ( 1.920 8.376 0.000) 8.593 12.411 ( 3.579 -10.299 0.000) 10.904 12.606 ( 2.589 -1.213 0.000) 2.859 12.623 ( 5.228 -2.475 0.000) 5.784 13.055 ( -6.548 -0.595 0.000) 6.575 13.063 ( -6.063 -1.051 0.000) 6.154 13.498 ( 0.586 1.361 0.000) 1.482 13.539 ( 3.837 -2.282 0.000) 4.464 14.195 ( -6.996 6.166 -0.000) 9.325 14.220 ( 0.502 6.674 0.000) 6.693 14.284 ( 0.068 9.248 0.000) 9.248 14.524 ( -0.935 -5.163 0.000) 5.247 14.570 ( -3.214 1.105 0.000) 3.398 14.589 ( 8.991 7.173 -0.000) 11.501 14.701 ( -3.334 -5.362 0.000) 6.314 14.760 ( 9.668 -7.268 0.000) 12.095 14.988 ( 3.261 1.179 -0.000) 3.468 15.033 ( 4.857 -2.930 0.000) 5.673 15.322 ( -2.674 6.485 0.000) 7.015 15.444 ( -5.632 -4.737 0.000) 7.360 15.762 ( 4.537 16.939 0.000) 17.536 16.053 ( 1.896 -5.264 0.000) 5.595 16.639 ( -1.630 5.343 0.000) 5.586 16.939 ( -7.652 -18.055 0.000) 19.610 24.684 ( 9.401 5.534 0.000) 10.909 24.792 ( 6.880 -3.795 0.000) 7.858 25.180 ( -2.920 11.060 0.000) 11.439 25.331 ( 4.076 10.993 0.000) 11.724 25.441 ( -7.119 -3.922 0.000) 8.128 25.743 ( -3.316 -17.316 -0.000) 17.630 28.321 ( -1.143 -0.198 0.000) 1.160 28.343 ( -1.647 -2.146 0.000) 2.705 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 12.004 8.868 -0.000) 14.924 3.308 ( 12.647 8.558 0.000) 15.271 3.370 ( 10.015 -0.407 0.000) 10.023 3.596 ( 7.020 -7.072 -0.000) 9.964 3.838 ( -9.087 -1.032 0.000) 9.145 3.871 ( -8.899 -1.324 0.000) 8.997 6.106 ( -1.048 7.509 0.000) 7.582 6.136 ( -2.381 4.915 -0.000) 5.461 7.056 ( 3.470 1.448 -0.000) 3.760 7.079 ( 3.015 0.046 0.000) 3.016 7.411 ( 0.026 3.264 0.000) 3.264 7.461 ( -3.026 -1.737 0.000) 3.489 8.006 ( -1.922 -2.976 -0.000) 3.543 8.008 ( -2.207 -0.307 0.000) 2.228 8.319 ( 1.962 -5.681 0.000) 6.010 8.364 ( -0.109 -7.492 0.000) 7.493 9.190 ( 11.284 2.864 0.000) 11.642 9.363 ( 6.109 -13.570 0.000) 14.882 9.534 ( -1.192 4.273 0.000) 4.437 9.610 ( -0.495 -1.697 0.000) 1.768 10.299 ( 2.563 9.310 0.000) 9.657 10.486 ( 4.620 -8.169 0.000) 9.385 10.559 ( -13.096 3.822 0.000) 13.642 10.682 ( -8.177 -6.385 0.000) 10.374 11.401 ( -3.704 3.765 -0.000) 5.281 11.422 ( -4.419 2.013 0.000) 4.856 12.003 ( 2.696 5.455 0.000) 6.085 12.069 ( -1.004 0.129 0.000) 1.012 12.290 ( 6.114 8.508 0.000) 10.477 12.480 ( 2.005 -7.859 0.000) 8.111 12.625 ( 0.343 0.085 0.000) 0.353 12.698 ( 2.116 -5.131 0.000) 5.550 12.927 ( -5.923 -0.459 0.000) 5.941 12.949 ( -5.353 -2.058 0.000) 5.735 13.504 ( 0.553 2.535 0.000) 2.595 13.568 ( -0.910 -3.198 0.000) 3.325 14.132 ( 0.485 9.029 -0.000) 9.042 14.243 ( -0.952 0.707 0.000) 1.186 14.270 ( 1.565 11.801 0.000) 11.904 14.443 ( -5.416 6.106 0.000) 8.162 14.556 ( 0.085 -10.944 0.000) 10.944 14.606 ( -3.187 -6.990 -0.000) 7.683 14.801 ( 9.069 4.809 -0.000) 10.265 14.910 ( 4.881 -5.046 0.000) 7.020 15.070 ( 5.051 2.437 -0.000) 5.608 15.128 ( 5.083 -2.546 0.000) 5.685 15.268 ( -2.940 4.134 0.000) 5.073 15.351 ( -4.532 -3.238 0.000) 5.570 15.844 ( 4.332 18.048 0.000) 18.561 16.026 ( -4.020 6.372 0.000) 7.534 16.637 ( 1.467 -7.199 0.000) 7.347 16.797 ( -6.865 -16.791 0.000) 18.140 24.872 ( 9.854 3.409 0.000) 10.427 24.912 ( 5.501 0.764 0.000) 5.554 25.118 ( -3.238 10.883 0.000) 11.354 25.285 ( -8.931 1.807 0.000) 9.112 25.435 ( 6.410 0.072 0.000) 6.410 25.666 ( -4.806 -13.985 -0.000) 14.788 28.302 ( -0.681 -0.871 0.000) 1.105 28.314 ( -1.284 -1.892 0.000) 2.286 ======================= Grid point 377 (120/120) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.71e-05 2.71e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( -5.985 8.758 0.000) 10.608 3.375 ( 5.985 8.758 0.000) 10.608 3.563 ( -9.304 6.978 0.000) 11.630 3.563 ( 9.304 6.978 0.000) 11.630 3.763 ( -1.697 -11.638 0.000) 11.761 3.763 ( 1.697 -11.638 0.000) 11.761 6.104 ( -0.876 6.800 0.000) 6.856 6.104 ( 0.876 6.800 0.000) 6.856 7.099 ( -0.792 1.828 0.000) 1.992 7.099 ( 0.792 1.828 0.000) 1.992 7.422 ( -1.223 -0.893 0.000) 1.515 7.422 ( 1.223 -0.893 0.000) 1.515 7.986 ( -0.005 -1.990 0.000) 1.990 7.986 ( 0.005 -1.990 0.000) 1.990 8.349 ( -1.251 -6.950 0.000) 7.062 8.349 ( 1.251 -6.950 0.000) 7.062 9.343 ( -5.058 -0.996 0.000) 5.155 9.343 ( 5.058 -0.996 0.000) 5.155 9.601 ( -2.644 -4.165 0.000) 4.933 9.601 ( 2.644 -4.165 0.000) 4.933 10.359 ( -6.019 8.585 0.000) 10.485 10.359 ( 6.019 8.585 0.000) 10.485 10.567 ( -4.078 -7.798 0.000) 8.800 10.567 ( 4.078 -7.798 0.000) 8.800 11.372 ( -0.638 2.378 -0.000) 2.462 11.372 ( 0.638 2.378 0.000) 2.462 12.045 ( -1.641 3.400 0.000) 3.776 12.045 ( 1.641 3.400 0.000) 3.776 12.423 ( -6.790 4.394 0.000) 8.088 12.423 ( 6.790 4.394 0.000) 8.088 12.676 ( -3.964 -6.461 0.000) 7.580 12.676 ( 3.964 -6.461 0.000) 7.580 12.880 ( -1.313 -1.133 0.000) 1.734 12.880 ( 1.313 -1.133 0.000) 1.734 13.531 ( -2.160 -0.203 0.000) 2.170 13.531 ( 2.160 -0.203 0.000) 2.170 14.183 ( -3.759 7.997 -0.000) 8.837 14.183 ( 3.759 7.997 -0.000) 8.837 14.345 ( -4.835 5.998 0.000) 7.704 14.345 ( 4.835 5.998 0.000) 7.704 14.564 ( -1.096 -10.107 -0.000) 10.166 14.564 ( 1.096 -10.107 0.000) 10.166 14.925 ( -3.250 0.050 0.000) 3.251 14.925 ( 3.250 0.050 0.000) 3.251 15.160 ( -3.474 2.560 0.000) 4.316 15.160 ( 3.474 2.560 0.000) 4.316 15.265 ( -4.054 -1.784 0.000) 4.429 15.265 ( 4.054 -1.784 0.000) 4.429 15.933 ( -5.055 14.374 0.000) 15.237 15.933 ( 5.055 14.374 0.000) 15.237 16.691 ( -4.169 -14.135 0.000) 14.736 16.691 ( 4.169 -14.135 0.000) 14.736 24.988 ( -1.010 2.461 0.000) 2.660 24.988 ( 1.010 2.461 0.000) 2.660 25.120 ( -6.657 6.878 0.000) 9.572 25.120 ( 6.657 6.878 0.000) 9.572 25.560 ( -6.346 -7.773 0.000) 10.035 25.560 ( 6.346 -7.773 0.000) 10.035 28.298 ( -0.318 -1.477 0.000) 1.511 28.298 ( 0.318 -1.477 0.000) 1.511 =================== 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 3/33600 10.0 8474.418 2559.076 4283.018 0.000 0.000 0.000 3/33600 20.0 1705.501 1437.522 1411.166 0.000 0.000 0.000 3/33600 30.0 855.381 783.385 756.245 0.000 0.000 0.000 3/33600 40.0 576.172 524.031 493.257 0.000 0.000 0.000 3/33600 50.0 391.155 344.380 326.853 0.000 0.000 0.000 3/33600 60.0 259.769 221.663 214.941 0.000 0.000 0.000 3/33600 70.0 173.743 145.158 143.498 0.000 0.000 0.000 3/33600 80.0 119.777 98.808 99.044 0.000 0.000 0.000 3/33600 90.0 85.883 70.310 71.164 0.000 0.000 0.000 3/33600 100.0 64.065 52.205 53.206 0.000 0.000 0.000 3/33600 110.0 49.547 40.261 41.243 0.000 0.000 0.000 3/33600 120.0 39.548 32.084 32.993 0.000 0.000 0.000 3/33600 130.0 32.432 26.291 27.115 0.000 0.000 0.000 3/33600 140.0 27.216 22.058 22.801 0.000 0.000 0.000 3/33600 150.0 23.289 18.878 19.549 0.000 0.000 0.000 3/33600 160.0 20.262 16.431 17.038 0.000 0.000 0.000 3/33600 170.0 17.878 14.507 15.060 0.000 0.000 0.000 3/33600 180.0 15.965 12.965 13.471 0.000 0.000 0.000 3/33600 190.0 14.406 11.708 12.173 0.000 0.000 0.000 3/33600 200.0 13.115 10.668 11.098 0.000 0.000 0.000 3/33600 210.0 12.032 9.796 10.195 0.000 0.000 0.000 3/33600 220.0 11.113 9.056 9.428 0.000 0.000 0.000 3/33600 230.0 10.324 8.421 8.770 0.000 0.000 0.000 3/33600 240.0 9.642 7.871 8.199 0.000 0.000 0.000 3/33600 250.0 9.045 7.390 7.699 0.000 0.000 0.000 3/33600 260.0 8.520 6.967 7.260 0.000 0.000 0.000 3/33600 270.0 8.055 6.592 6.869 0.000 0.000 0.000 3/33600 280.0 7.639 6.257 6.520 0.000 0.000 0.000 3/33600 290.0 7.266 5.956 6.207 0.000 0.000 0.000 3/33600 300.0 6.930 5.685 5.924 0.000 0.000 0.000 3/33600 310.0 6.624 5.438 5.667 0.000 0.000 0.000 3/33600 320.0 6.346 5.214 5.433 0.000 0.000 0.000 3/33600 330.0 6.092 5.008 5.218 0.000 0.000 0.000 3/33600 340.0 5.858 4.819 5.021 0.000 0.000 0.000 3/33600 350.0 5.643 4.644 4.839 0.000 0.000 0.000 3/33600 360.0 5.443 4.483 4.670 0.000 0.000 0.000 3/33600 370.0 5.258 4.333 4.514 0.000 0.000 0.000 3/33600 380.0 5.086 4.194 4.368 0.000 0.000 0.000 3/33600 390.0 4.926 4.063 4.232 0.000 0.000 0.000 3/33600 400.0 4.776 3.942 4.105 0.000 0.000 0.000 3/33600 410.0 4.635 3.827 3.985 0.000 0.000 0.000 3/33600 420.0 4.503 3.720 3.873 0.000 0.000 0.000 3/33600 430.0 4.378 3.619 3.768 0.000 0.000 0.000 3/33600 440.0 4.261 3.523 3.668 0.000 0.000 0.000 3/33600 450.0 4.150 3.433 3.574 0.000 0.000 0.000 3/33600 460.0 4.045 3.347 3.484 0.000 0.000 0.000 3/33600 470.0 3.946 3.266 3.399 0.000 0.000 0.000 3/33600 480.0 3.851 3.189 3.319 0.000 0.000 0.000 3/33600 490.0 3.761 3.116 3.242 0.000 0.000 0.000 3/33600 500.0 3.676 3.046 3.169 0.000 0.000 0.000 3/33600 510.0 3.594 2.979 3.100 0.000 0.000 0.000 3/33600 520.0 3.517 2.916 3.034 0.000 0.000 0.000 3/33600 530.0 3.442 2.855 2.970 0.000 0.000 0.000 3/33600 540.0 3.371 2.797 2.909 0.000 0.000 0.000 3/33600 550.0 3.303 2.741 2.851 0.000 0.000 0.000 3/33600 560.0 3.238 2.687 2.795 0.000 0.000 0.000 3/33600 570.0 3.175 2.636 2.742 0.000 0.000 0.000 3/33600 580.0 3.115 2.587 2.690 0.000 0.000 0.000 3/33600 590.0 3.057 2.539 2.640 0.000 0.000 0.000 3/33600 600.0 3.001 2.494 2.593 0.000 0.000 0.000 3/33600 610.0 2.948 2.450 2.547 0.000 0.000 0.000 3/33600 620.0 2.896 2.407 2.503 0.000 0.000 0.000 3/33600 630.0 2.846 2.366 2.460 0.000 0.000 0.000 3/33600 640.0 2.798 2.327 2.419 0.000 0.000 0.000 3/33600 650.0 2.752 2.289 2.379 0.000 0.000 0.000 3/33600 660.0 2.707 2.252 2.341 0.000 0.000 0.000 3/33600 670.0 2.664 2.216 2.303 0.000 0.000 0.000 3/33600 680.0 2.622 2.182 2.267 0.000 0.000 0.000 3/33600 690.0 2.581 2.148 2.232 0.000 0.000 0.000 3/33600 700.0 2.542 2.116 2.199 0.000 0.000 0.000 3/33600 710.0 2.504 2.084 2.166 0.000 0.000 0.000 3/33600 720.0 2.467 2.054 2.134 0.000 0.000 0.000 3/33600 730.0 2.431 2.024 2.103 0.000 0.000 0.000 3/33600 740.0 2.396 1.996 2.074 0.000 0.000 0.000 3/33600 750.0 2.362 1.968 2.044 0.000 0.000 0.000 3/33600 760.0 2.330 1.941 2.016 0.000 0.000 0.000 3/33600 770.0 2.298 1.914 1.989 0.000 0.000 0.000 3/33600 780.0 2.267 1.889 1.962 0.000 0.000 0.000 3/33600 790.0 2.237 1.864 1.936 0.000 0.000 0.000 3/33600 800.0 2.207 1.840 1.911 0.000 0.000 0.000 3/33600 810.0 2.179 1.816 1.886 0.000 0.000 0.000 3/33600 820.0 2.151 1.793 1.862 0.000 0.000 0.000 3/33600 830.0 2.124 1.771 1.839 0.000 0.000 0.000 3/33600 840.0 2.097 1.749 1.816 0.000 0.000 0.000 3/33600 850.0 2.072 1.727 1.794 0.000 0.000 0.000 3/33600 860.0 2.047 1.707 1.773 0.000 0.000 0.000 3/33600 870.0 2.022 1.686 1.751 0.000 0.000 0.000 3/33600 880.0 1.998 1.667 1.731 0.000 0.000 0.000 3/33600 890.0 1.975 1.647 1.711 0.000 0.000 0.000 3/33600 900.0 1.952 1.628 1.691 0.000 0.000 0.000 3/33600 910.0 1.930 1.610 1.672 0.000 0.000 0.000 3/33600 920.0 1.908 1.592 1.653 0.000 0.000 0.000 3/33600 930.0 1.887 1.574 1.635 0.000 0.000 0.000 3/33600 940.0 1.866 1.557 1.617 0.000 0.000 0.000 3/33600 950.0 1.846 1.540 1.599 0.000 0.000 0.000 3/33600 960.0 1.826 1.524 1.582 0.000 0.000 0.000 3/33600 970.0 1.807 1.508 1.565 0.000 0.000 0.000 3/33600 980.0 1.788 1.492 1.549 0.000 0.000 0.000 3/33600 990.0 1.769 1.477 1.533 0.000 0.000 0.000 3/33600 1000.0 1.751 1.461 1.517 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m8710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:52:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|