----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:37:04]------------------------- 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: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.929631220000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.153631940000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.611315520000001 Atomic positions (fractional): *1 Nd 0.06436914456500 0.25000000000000 0.97857286720686 144.242 2 Nd 0.43563085543500 0.75000000000000 0.47857286720686 144.242 3 Nd 0.56436914456500 0.25000000000000 0.52142713279314 144.242 4 Nd 0.93563085543500 0.75000000000000 0.02142713279314 144.242 *5 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 6 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 7 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 8 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 *9 O 0.05388977049345 0.75000000000000 0.62739719789772 15.999 *10 O 0.19504038597228 0.56622961107142 0.19157502819519 15.999 11 O 0.19504038597228 0.93377038892858 0.19157502819519 15.999 12 O 0.30495961402772 0.06622961107142 0.69157502819519 15.999 13 O 0.30495961402772 0.43377038892858 0.69157502819519 15.999 14 O 0.44611022950655 0.25000000000000 0.12739719789772 15.999 15 O 0.55388977049345 0.75000000000000 0.87260280210228 15.999 16 O 0.69504038597228 0.93377038892858 0.30842497180481 15.999 17 O 0.69504038597228 0.56622961107142 0.30842497180481 15.999 18 O 0.80495961402772 0.06622961107142 0.80842497180481 15.999 19 O 0.80495961402772 0.43377038892858 0.80842497180481 15.999 20 O 0.94611022950655 0.25000000000000 0.37260280210228 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.929631220000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.153631940000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.611315520000001 Atomic positions (fractional): *1 Nd 0.06436914456500 0.25000000000000 0.97857286720686 144.242 > 1 2 Nd 0.43563085543500 0.75000000000000 0.47857286720686 144.242 > 2 3 Nd 0.56436914456500 0.25000000000000 0.52142713279314 144.242 > 3 4 Nd 0.93563085543500 0.75000000000000 0.02142713279314 144.242 > 4 *5 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 5 6 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 6 7 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 7 8 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 8 *9 O 0.05388977049345 0.75000000000000 0.62739719789772 15.999 > 9 *10 O 0.19504038597228 0.56622961107142 0.19157502819519 15.999 > 10 11 O 0.19504038597228 0.93377038892858 0.19157502819519 15.999 > 11 12 O 0.30495961402772 0.06622961107142 0.69157502819519 15.999 > 12 13 O 0.30495961402772 0.43377038892858 0.69157502819519 15.999 > 13 14 O 0.44611022950655 0.25000000000000 0.12739719789772 15.999 > 14 15 O 0.55388977049345 0.75000000000000 0.87260280210228 15.999 > 15 16 O 0.69504038597228 0.93377038892858 0.30842497180481 15.999 > 16 17 O 0.69504038597228 0.56622961107142 0.30842497180481 15.999 > 17 18 O 0.80495961402772 0.06622961107142 0.80842497180481 15.999 > 18 19 O 0.80495961402772 0.43377038892858 0.80842497180481 15.999 > 19 20 O 0.94611022950655 0.25000000000000 0.37260280210228 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.859262440000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.153631940000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.222631040000001 Atomic positions (fractional): *1 Nd 0.03218457228250 0.25000000000000 0.48928643360343 144.242 > 1 2 Nd 0.53218457228250 0.25000000000000 0.48928643360343 144.242 > 1 3 Nd 0.03218457228250 0.25000000000000 0.98928643360343 144.242 > 1 4 Nd 0.53218457228250 0.25000000000000 0.98928643360343 144.242 > 1 5 Nd 0.21781542771750 0.75000000000000 0.23928643360343 144.242 > 2 6 Nd 0.71781542771750 0.75000000000000 0.23928643360343 144.242 > 2 7 Nd 0.21781542771750 0.75000000000000 0.73928643360343 144.242 > 2 8 Nd 0.71781542771750 0.75000000000000 0.73928643360343 144.242 > 2 9 Nd 0.28218457228250 0.25000000000000 0.26071356639657 144.242 > 3 10 Nd 0.78218457228250 0.25000000000000 0.26071356639657 144.242 > 3 11 Nd 0.28218457228250 0.25000000000000 0.76071356639657 144.242 > 3 12 Nd 0.78218457228250 0.25000000000000 0.76071356639657 144.242 > 3 13 Nd 0.46781542771750 0.75000000000000 0.01071356639657 144.242 > 4 14 Nd 0.96781542771750 0.75000000000000 0.01071356639657 144.242 > 4 15 Nd 0.46781542771750 0.75000000000000 0.51071356639657 144.242 > 4 16 Nd 0.96781542771750 0.75000000000000 0.51071356639657 144.242 > 4 *17 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 5 18 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 5 19 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 5 20 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 5 21 In 0.00000000000000 0.50000000000000 0.25000000000000 114.818 > 6 22 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 6 23 In 0.00000000000000 0.50000000000000 0.75000000000000 114.818 > 6 24 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 6 25 In 0.25000000000000 0.00000000000000 0.00000000000000 114.818 > 7 26 In 0.75000000000000 0.00000000000000 0.00000000000000 114.818 > 7 27 In 0.25000000000000 0.00000000000000 0.50000000000000 114.818 > 7 28 In 0.75000000000000 0.00000000000000 0.50000000000000 114.818 > 7 29 In 0.25000000000000 0.50000000000000 0.00000000000000 114.818 > 8 30 In 0.75000000000000 0.50000000000000 0.00000000000000 114.818 > 8 31 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 8 32 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 8 *33 O 0.02694488524673 0.75000000000000 0.31369859894886 15.999 > 9 34 O 0.52694488524673 0.75000000000000 0.31369859894886 15.999 > 9 35 O 0.02694488524673 0.75000000000000 0.81369859894886 15.999 > 9 36 O 0.52694488524673 0.75000000000000 0.81369859894886 15.999 > 9 *37 O 0.09752019298614 0.56622961107142 0.09578751409759 15.999 > 10 38 O 0.59752019298614 0.56622961107142 0.09578751409759 15.999 > 10 39 O 0.09752019298614 0.56622961107142 0.59578751409759 15.999 > 10 40 O 0.59752019298614 0.56622961107142 0.59578751409759 15.999 > 10 41 O 0.09752019298614 0.93377038892858 0.09578751409759 15.999 > 11 42 O 0.59752019298614 0.93377038892858 0.09578751409759 15.999 > 11 43 O 0.09752019298614 0.93377038892858 0.59578751409759 15.999 > 11 44 O 0.59752019298614 0.93377038892858 0.59578751409759 15.999 > 11 45 O 0.15247980701386 0.06622961107142 0.34578751409759 15.999 > 12 46 O 0.65247980701386 0.06622961107142 0.34578751409759 15.999 > 12 47 O 0.15247980701386 0.06622961107142 0.84578751409759 15.999 > 12 48 O 0.65247980701386 0.06622961107142 0.84578751409759 15.999 > 12 49 O 0.15247980701386 0.43377038892858 0.34578751409759 15.999 > 13 50 O 0.65247980701386 0.43377038892858 0.34578751409759 15.999 > 13 51 O 0.15247980701386 0.43377038892858 0.84578751409759 15.999 > 13 52 O 0.65247980701386 0.43377038892858 0.84578751409759 15.999 > 13 53 O 0.22305511475327 0.25000000000000 0.06369859894886 15.999 > 14 54 O 0.72305511475327 0.25000000000000 0.06369859894886 15.999 > 14 55 O 0.22305511475327 0.25000000000000 0.56369859894886 15.999 > 14 56 O 0.72305511475327 0.25000000000000 0.56369859894886 15.999 > 14 57 O 0.27694488524673 0.75000000000000 0.43630140105114 15.999 > 15 58 O 0.77694488524673 0.75000000000000 0.43630140105114 15.999 > 15 59 O 0.27694488524673 0.75000000000000 0.93630140105114 15.999 > 15 60 O 0.77694488524673 0.75000000000000 0.93630140105114 15.999 > 15 61 O 0.34752019298614 0.93377038892858 0.15421248590241 15.999 > 16 62 O 0.84752019298614 0.93377038892858 0.15421248590241 15.999 > 16 63 O 0.34752019298614 0.93377038892858 0.65421248590241 15.999 > 16 64 O 0.84752019298614 0.93377038892858 0.65421248590241 15.999 > 16 65 O 0.34752019298614 0.56622961107142 0.15421248590241 15.999 > 17 66 O 0.84752019298614 0.56622961107142 0.15421248590241 15.999 > 17 67 O 0.34752019298614 0.56622961107142 0.65421248590241 15.999 > 17 68 O 0.84752019298614 0.56622961107142 0.65421248590241 15.999 > 17 69 O 0.40247980701386 0.06622961107142 0.40421248590241 15.999 > 18 70 O 0.90247980701386 0.06622961107142 0.40421248590241 15.999 > 18 71 O 0.40247980701386 0.06622961107142 0.90421248590241 15.999 > 18 72 O 0.90247980701386 0.06622961107142 0.90421248590241 15.999 > 18 73 O 0.40247980701386 0.43377038892858 0.40421248590241 15.999 > 19 74 O 0.90247980701386 0.43377038892858 0.40421248590241 15.999 > 19 75 O 0.40247980701386 0.43377038892858 0.90421248590241 15.999 > 19 76 O 0.90247980701386 0.43377038892858 0.90421248590241 15.999 > 19 77 O 0.47305511475327 0.25000000000000 0.18630140105114 15.999 > 20 78 O 0.97305511475327 0.25000000000000 0.18630140105114 15.999 > 20 79 O 0.47305511475327 0.25000000000000 0.68630140105114 15.999 > 20 80 O 0.97305511475327 0.25000000000000 0.68630140105114 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9252057 0.0000000 0.0000000 0.0000000 4.6928653 0.0000000 0.0000000 0.0000000 4.8876439 -------------------------- Born effective charges -------------------------- 1 Nd 4.1849522 0.0000000 0.1199910 0.0000000 3.5270320 0.0000000 0.2477568 0.0000000 4.1611918 2 Nd 4.1849522 0.0000000 -0.1199910 0.0000000 3.5270320 0.0000000 -0.2477568 0.0000000 4.1611918 3 Nd 4.1849522 0.0000000 -0.1199910 0.0000000 3.5270320 0.0000000 -0.2477568 0.0000000 4.1611918 4 Nd 4.1849522 0.0000000 0.1199910 0.0000000 3.5270320 0.0000000 0.2477568 0.0000000 4.1611918 5 In 3.3720013 -0.1023387 0.0947839 -0.0829175 3.3252691 -0.0020857 0.1486141 0.1544513 3.2784177 6 In 3.3720013 0.1023387 0.0947839 0.0829175 3.3252691 0.0020857 0.1486141 -0.1544513 3.2784177 7 In 3.3720013 -0.1023387 -0.0947839 -0.0829175 3.3252691 0.0020857 -0.1486141 -0.1544513 3.2784177 8 In 3.3720013 0.1023387 -0.0947839 0.0829175 3.3252691 -0.0020857 -0.1486141 0.1544513 3.2784177 9 O -2.2346485 0.0000000 0.5346869 0.0000000 -2.4060132 0.0000000 0.5066814 0.0000000 -2.7236030 10 O -2.6611525 0.1901963 0.0365637 0.2571922 -2.2231439 -0.0443930 0.0097548 -0.0599258 -2.3580033 11 O -2.6611525 -0.1901963 0.0365637 -0.2571922 -2.2231439 0.0443930 0.0097548 0.0599258 -2.3580033 12 O -2.6611525 -0.1901963 -0.0365637 -0.2571922 -2.2231439 -0.0443930 -0.0097548 -0.0599258 -2.3580033 13 O -2.6611525 0.1901963 -0.0365637 0.2571922 -2.2231439 0.0443930 -0.0097548 0.0599258 -2.3580033 14 O -2.2346485 0.0000000 -0.5346869 0.0000000 -2.4060132 0.0000000 -0.5066814 0.0000000 -2.7236030 15 O -2.2346485 0.0000000 -0.5346869 0.0000000 -2.4060132 0.0000000 -0.5066814 0.0000000 -2.7236030 16 O -2.6611525 -0.1901963 -0.0365637 -0.2571922 -2.2231439 -0.0443930 -0.0097548 -0.0599258 -2.3580033 17 O -2.6611525 0.1901963 -0.0365637 0.2571922 -2.2231439 0.0443930 -0.0097548 0.0599258 -2.3580033 18 O -2.6611525 -0.1901963 0.0365637 -0.2571922 -2.2231439 0.0443930 0.0097548 0.0599258 -2.3580033 19 O -2.6611525 0.1901963 0.0365637 0.2571922 -2.2231439 -0.0443930 0.0097548 -0.0599258 -2.3580033 20 O -2.2346485 0.0000000 0.5346869 0.0000000 -2.4060132 0.0000000 0.5066814 0.0000000 -2.7236030 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.731 Solver_block: 200 / 320 - Time: 0.745 Solver_block: 300 / 320 - Time: 0.745 Solver_block: 320 / 320 - Time: 0.195 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.433 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:37:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:37:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.929631220000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.153631940000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.611315520000001 Atomic positions (fractional): 1 Nd 0.06436914456500 0.25000000000000 0.97857286720686 144.242 2 Nd 0.43563085543500 0.75000000000000 0.47857286720686 144.242 3 Nd 0.56436914456500 0.25000000000000 0.52142713279314 144.242 4 Nd 0.93563085543500 0.75000000000000 0.02142713279314 144.242 5 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 6 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 7 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 8 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 9 O 0.05388977049345 0.75000000000000 0.62739719789772 15.999 10 O 0.19504038597228 0.56622961107142 0.19157502819519 15.999 11 O 0.19504038597228 0.93377038892858 0.19157502819519 15.999 12 O 0.30495961402772 0.06622961107142 0.69157502819519 15.999 13 O 0.30495961402772 0.43377038892858 0.69157502819519 15.999 14 O 0.44611022950655 0.25000000000000 0.12739719789772 15.999 15 O 0.55388977049345 0.75000000000000 0.87260280210228 15.999 16 O 0.69504038597228 0.93377038892858 0.30842497180481 15.999 17 O 0.69504038597228 0.56622961107142 0.30842497180481 15.999 18 O 0.80495961402772 0.06622961107142 0.80842497180481 15.999 19 O 0.80495961402772 0.43377038892858 0.80842497180481 15.999 20 O 0.94611022950655 0.25000000000000 0.37260280210228 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.859262440000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.153631940000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.222631040000001 Atomic positions (fractional): 1 Nd 0.03218457228250 0.25000000000000 0.48928643360343 144.242 > 1 2 Nd 0.53218457228250 0.25000000000000 0.48928643360343 144.242 > 1 3 Nd 0.03218457228250 0.25000000000000 0.98928643360343 144.242 > 1 4 Nd 0.53218457228250 0.25000000000000 0.98928643360343 144.242 > 1 5 Nd 0.21781542771750 0.75000000000000 0.23928643360343 144.242 > 5 6 Nd 0.71781542771750 0.75000000000000 0.23928643360343 144.242 > 5 7 Nd 0.21781542771750 0.75000000000000 0.73928643360343 144.242 > 5 8 Nd 0.71781542771750 0.75000000000000 0.73928643360343 144.242 > 5 9 Nd 0.28218457228250 0.25000000000000 0.26071356639657 144.242 > 9 10 Nd 0.78218457228250 0.25000000000000 0.26071356639657 144.242 > 9 11 Nd 0.28218457228250 0.25000000000000 0.76071356639657 144.242 > 9 12 Nd 0.78218457228250 0.25000000000000 0.76071356639657 144.242 > 9 13 Nd 0.46781542771750 0.75000000000000 0.01071356639657 144.242 > 13 14 Nd 0.96781542771750 0.75000000000000 0.01071356639657 144.242 > 13 15 Nd 0.46781542771750 0.75000000000000 0.51071356639657 144.242 > 13 16 Nd 0.96781542771750 0.75000000000000 0.51071356639657 144.242 > 13 17 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 17 18 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 17 19 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 17 20 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 17 21 In 0.00000000000000 0.50000000000000 0.25000000000000 114.818 > 21 22 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 21 23 In 0.00000000000000 0.50000000000000 0.75000000000000 114.818 > 21 24 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 21 25 In 0.25000000000000 0.00000000000000 0.00000000000000 114.818 > 25 26 In 0.75000000000000 0.00000000000000 0.00000000000000 114.818 > 25 27 In 0.25000000000000 0.00000000000000 0.50000000000000 114.818 > 25 28 In 0.75000000000000 0.00000000000000 0.50000000000000 114.818 > 25 29 In 0.25000000000000 0.50000000000000 0.00000000000000 114.818 > 29 30 In 0.75000000000000 0.50000000000000 0.00000000000000 114.818 > 29 31 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 29 32 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 29 33 O 0.02694488524673 0.75000000000000 0.31369859894886 15.999 > 33 34 O 0.52694488524673 0.75000000000000 0.31369859894886 15.999 > 33 35 O 0.02694488524673 0.75000000000000 0.81369859894886 15.999 > 33 36 O 0.52694488524673 0.75000000000000 0.81369859894886 15.999 > 33 37 O 0.09752019298614 0.56622961107142 0.09578751409759 15.999 > 37 38 O 0.59752019298614 0.56622961107142 0.09578751409759 15.999 > 37 39 O 0.09752019298614 0.56622961107142 0.59578751409759 15.999 > 37 40 O 0.59752019298614 0.56622961107142 0.59578751409759 15.999 > 37 41 O 0.09752019298614 0.93377038892858 0.09578751409759 15.999 > 41 42 O 0.59752019298614 0.93377038892858 0.09578751409759 15.999 > 41 43 O 0.09752019298614 0.93377038892858 0.59578751409759 15.999 > 41 44 O 0.59752019298614 0.93377038892858 0.59578751409759 15.999 > 41 45 O 0.15247980701386 0.06622961107142 0.34578751409759 15.999 > 45 46 O 0.65247980701386 0.06622961107142 0.34578751409759 15.999 > 45 47 O 0.15247980701386 0.06622961107142 0.84578751409759 15.999 > 45 48 O 0.65247980701386 0.06622961107142 0.84578751409759 15.999 > 45 49 O 0.15247980701386 0.43377038892858 0.34578751409759 15.999 > 49 50 O 0.65247980701386 0.43377038892858 0.34578751409759 15.999 > 49 51 O 0.15247980701386 0.43377038892858 0.84578751409759 15.999 > 49 52 O 0.65247980701386 0.43377038892858 0.84578751409759 15.999 > 49 53 O 0.22305511475327 0.25000000000000 0.06369859894886 15.999 > 53 54 O 0.72305511475327 0.25000000000000 0.06369859894886 15.999 > 53 55 O 0.22305511475327 0.25000000000000 0.56369859894886 15.999 > 53 56 O 0.72305511475327 0.25000000000000 0.56369859894886 15.999 > 53 57 O 0.27694488524673 0.75000000000000 0.43630140105114 15.999 > 57 58 O 0.77694488524673 0.75000000000000 0.43630140105114 15.999 > 57 59 O 0.27694488524673 0.75000000000000 0.93630140105114 15.999 > 57 60 O 0.77694488524673 0.75000000000000 0.93630140105114 15.999 > 57 61 O 0.34752019298614 0.93377038892858 0.15421248590241 15.999 > 61 62 O 0.84752019298614 0.93377038892858 0.15421248590241 15.999 > 61 63 O 0.34752019298614 0.93377038892858 0.65421248590241 15.999 > 61 64 O 0.84752019298614 0.93377038892858 0.65421248590241 15.999 > 61 65 O 0.34752019298614 0.56622961107142 0.15421248590241 15.999 > 65 66 O 0.84752019298614 0.56622961107142 0.15421248590241 15.999 > 65 67 O 0.34752019298614 0.56622961107142 0.65421248590241 15.999 > 65 68 O 0.84752019298614 0.56622961107142 0.65421248590241 15.999 > 65 69 O 0.40247980701386 0.06622961107142 0.40421248590241 15.999 > 69 70 O 0.90247980701386 0.06622961107142 0.40421248590241 15.999 > 69 71 O 0.40247980701386 0.06622961107142 0.90421248590241 15.999 > 69 72 O 0.90247980701386 0.06622961107142 0.90421248590241 15.999 > 69 73 O 0.40247980701386 0.43377038892858 0.40421248590241 15.999 > 73 74 O 0.90247980701386 0.43377038892858 0.40421248590241 15.999 > 73 75 O 0.40247980701386 0.43377038892858 0.90421248590241 15.999 > 73 76 O 0.90247980701386 0.43377038892858 0.90421248590241 15.999 > 73 77 O 0.47305511475327 0.25000000000000 0.18630140105114 15.999 > 77 78 O 0.97305511475327 0.25000000000000 0.18630140105114 15.999 > 77 79 O 0.47305511475327 0.25000000000000 0.68630140105114 15.999 > 77 80 O 0.97305511475327 0.25000000000000 0.68630140105114 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9252057 0.0000000 0.0000000 0.0000000 4.6928653 0.0000000 0.0000000 0.0000000 4.8876439 -------------------------- Born effective charges -------------------------- 1 Nd 4.1849522 0.0000000 0.1199910 0.0000000 3.5270320 0.0000000 0.2477568 0.0000000 4.1611918 2 Nd 4.1849522 0.0000000 -0.1199910 0.0000000 3.5270320 0.0000000 -0.2477568 0.0000000 4.1611918 3 Nd 4.1849522 0.0000000 -0.1199910 0.0000000 3.5270320 0.0000000 -0.2477568 0.0000000 4.1611918 4 Nd 4.1849522 0.0000000 0.1199910 0.0000000 3.5270320 0.0000000 0.2477568 0.0000000 4.1611918 5 In 3.3720013 -0.1023387 0.0947839 -0.0829175 3.3252691 -0.0020857 0.1486141 0.1544513 3.2784177 6 In 3.3720013 0.1023387 0.0947839 0.0829175 3.3252691 0.0020857 0.1486141 -0.1544513 3.2784177 7 In 3.3720013 -0.1023387 -0.0947839 -0.0829175 3.3252691 0.0020857 -0.1486141 -0.1544513 3.2784177 8 In 3.3720013 0.1023387 -0.0947839 0.0829175 3.3252691 -0.0020857 -0.1486141 0.1544513 3.2784177 9 O -2.2346485 0.0000000 0.5346869 0.0000000 -2.4060132 0.0000000 0.5066814 0.0000000 -2.7236030 10 O -2.6611525 0.1901963 0.0365637 0.2571922 -2.2231439 -0.0443930 0.0097548 -0.0599258 -2.3580033 11 O -2.6611525 -0.1901963 0.0365637 -0.2571922 -2.2231439 0.0443930 0.0097548 0.0599258 -2.3580033 12 O -2.6611525 -0.1901963 -0.0365637 -0.2571922 -2.2231439 -0.0443930 -0.0097548 -0.0599258 -2.3580033 13 O -2.6611525 0.1901963 -0.0365637 0.2571922 -2.2231439 0.0443930 -0.0097548 0.0599258 -2.3580033 14 O -2.2346485 0.0000000 -0.5346869 0.0000000 -2.4060132 0.0000000 -0.5066814 0.0000000 -2.7236030 15 O -2.2346485 0.0000000 -0.5346869 0.0000000 -2.4060132 0.0000000 -0.5066814 0.0000000 -2.7236030 16 O -2.6611525 -0.1901963 -0.0365637 -0.2571922 -2.2231439 -0.0443930 -0.0097548 -0.0599258 -2.3580033 17 O -2.6611525 0.1901963 -0.0365637 0.2571922 -2.2231439 0.0443930 -0.0097548 0.0599258 -2.3580033 18 O -2.6611525 -0.1901963 0.0365637 -0.2571922 -2.2231439 0.0443930 0.0097548 0.0599258 -2.3580033 19 O -2.6611525 0.1901963 0.0365637 0.2571922 -2.2231439 -0.0443930 0.0097548 -0.0599258 -2.3580033 20 O -2.2346485 0.0000000 0.5346869 0.0000000 -2.4060132 0.0000000 0.5066814 0.0000000 -2.7236030 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, 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: -0.00000002 (yzy) -0.00000002 (yzy) -0.00000002 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (zy) -0.00000004 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:37:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:37:27]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.929631220000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.153631940000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.611315520000001 Atomic positions (fractional): 1 Nd 0.06436914456500 0.25000000000000 0.97857286720686 144.242 2 Nd 0.43563085543500 0.75000000000000 0.47857286720686 144.242 3 Nd 0.56436914456500 0.25000000000000 0.52142713279314 144.242 4 Nd 0.93563085543500 0.75000000000000 0.02142713279314 144.242 5 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 6 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 7 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 8 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 9 O 0.05388977049345 0.75000000000000 0.62739719789772 15.999 10 O 0.19504038597228 0.56622961107142 0.19157502819519 15.999 11 O 0.19504038597228 0.93377038892858 0.19157502819519 15.999 12 O 0.30495961402772 0.06622961107142 0.69157502819519 15.999 13 O 0.30495961402772 0.43377038892858 0.69157502819519 15.999 14 O 0.44611022950655 0.25000000000000 0.12739719789772 15.999 15 O 0.55388977049345 0.75000000000000 0.87260280210228 15.999 16 O 0.69504038597228 0.93377038892858 0.30842497180481 15.999 17 O 0.69504038597228 0.56622961107142 0.30842497180481 15.999 18 O 0.80495961402772 0.06622961107142 0.80842497180481 15.999 19 O 0.80495961402772 0.43377038892858 0.80842497180481 15.999 20 O 0.94611022950655 0.25000000000000 0.37260280210228 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.859262440000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.153631940000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.222631040000001 Atomic positions (fractional): 1 Nd 0.03218457228250 0.25000000000000 0.48928643360343 144.242 > 1 2 Nd 0.53218457228250 0.25000000000000 0.48928643360343 144.242 > 1 3 Nd 0.03218457228250 0.25000000000000 0.98928643360343 144.242 > 1 4 Nd 0.53218457228250 0.25000000000000 0.98928643360343 144.242 > 1 5 Nd 0.21781542771750 0.75000000000000 0.23928643360343 144.242 > 5 6 Nd 0.71781542771750 0.75000000000000 0.23928643360343 144.242 > 5 7 Nd 0.21781542771750 0.75000000000000 0.73928643360343 144.242 > 5 8 Nd 0.71781542771750 0.75000000000000 0.73928643360343 144.242 > 5 9 Nd 0.28218457228250 0.25000000000000 0.26071356639657 144.242 > 9 10 Nd 0.78218457228250 0.25000000000000 0.26071356639657 144.242 > 9 11 Nd 0.28218457228250 0.25000000000000 0.76071356639657 144.242 > 9 12 Nd 0.78218457228250 0.25000000000000 0.76071356639657 144.242 > 9 13 Nd 0.46781542771750 0.75000000000000 0.01071356639657 144.242 > 13 14 Nd 0.96781542771750 0.75000000000000 0.01071356639657 144.242 > 13 15 Nd 0.46781542771750 0.75000000000000 0.51071356639657 144.242 > 13 16 Nd 0.96781542771750 0.75000000000000 0.51071356639657 144.242 > 13 17 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 17 18 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 17 19 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 17 20 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 17 21 In 0.00000000000000 0.50000000000000 0.25000000000000 114.818 > 21 22 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 21 23 In 0.00000000000000 0.50000000000000 0.75000000000000 114.818 > 21 24 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 21 25 In 0.25000000000000 0.00000000000000 0.00000000000000 114.818 > 25 26 In 0.75000000000000 0.00000000000000 0.00000000000000 114.818 > 25 27 In 0.25000000000000 0.00000000000000 0.50000000000000 114.818 > 25 28 In 0.75000000000000 0.00000000000000 0.50000000000000 114.818 > 25 29 In 0.25000000000000 0.50000000000000 0.00000000000000 114.818 > 29 30 In 0.75000000000000 0.50000000000000 0.00000000000000 114.818 > 29 31 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 29 32 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 29 33 O 0.02694488524673 0.75000000000000 0.31369859894886 15.999 > 33 34 O 0.52694488524673 0.75000000000000 0.31369859894886 15.999 > 33 35 O 0.02694488524673 0.75000000000000 0.81369859894886 15.999 > 33 36 O 0.52694488524673 0.75000000000000 0.81369859894886 15.999 > 33 37 O 0.09752019298614 0.56622961107142 0.09578751409759 15.999 > 37 38 O 0.59752019298614 0.56622961107142 0.09578751409759 15.999 > 37 39 O 0.09752019298614 0.56622961107142 0.59578751409759 15.999 > 37 40 O 0.59752019298614 0.56622961107142 0.59578751409759 15.999 > 37 41 O 0.09752019298614 0.93377038892858 0.09578751409759 15.999 > 41 42 O 0.59752019298614 0.93377038892858 0.09578751409759 15.999 > 41 43 O 0.09752019298614 0.93377038892858 0.59578751409759 15.999 > 41 44 O 0.59752019298614 0.93377038892858 0.59578751409759 15.999 > 41 45 O 0.15247980701386 0.06622961107142 0.34578751409759 15.999 > 45 46 O 0.65247980701386 0.06622961107142 0.34578751409759 15.999 > 45 47 O 0.15247980701386 0.06622961107142 0.84578751409759 15.999 > 45 48 O 0.65247980701386 0.06622961107142 0.84578751409759 15.999 > 45 49 O 0.15247980701386 0.43377038892858 0.34578751409759 15.999 > 49 50 O 0.65247980701386 0.43377038892858 0.34578751409759 15.999 > 49 51 O 0.15247980701386 0.43377038892858 0.84578751409759 15.999 > 49 52 O 0.65247980701386 0.43377038892858 0.84578751409759 15.999 > 49 53 O 0.22305511475327 0.25000000000000 0.06369859894886 15.999 > 53 54 O 0.72305511475327 0.25000000000000 0.06369859894886 15.999 > 53 55 O 0.22305511475327 0.25000000000000 0.56369859894886 15.999 > 53 56 O 0.72305511475327 0.25000000000000 0.56369859894886 15.999 > 53 57 O 0.27694488524673 0.75000000000000 0.43630140105114 15.999 > 57 58 O 0.77694488524673 0.75000000000000 0.43630140105114 15.999 > 57 59 O 0.27694488524673 0.75000000000000 0.93630140105114 15.999 > 57 60 O 0.77694488524673 0.75000000000000 0.93630140105114 15.999 > 57 61 O 0.34752019298614 0.93377038892858 0.15421248590241 15.999 > 61 62 O 0.84752019298614 0.93377038892858 0.15421248590241 15.999 > 61 63 O 0.34752019298614 0.93377038892858 0.65421248590241 15.999 > 61 64 O 0.84752019298614 0.93377038892858 0.65421248590241 15.999 > 61 65 O 0.34752019298614 0.56622961107142 0.15421248590241 15.999 > 65 66 O 0.84752019298614 0.56622961107142 0.15421248590241 15.999 > 65 67 O 0.34752019298614 0.56622961107142 0.65421248590241 15.999 > 65 68 O 0.84752019298614 0.56622961107142 0.65421248590241 15.999 > 65 69 O 0.40247980701386 0.06622961107142 0.40421248590241 15.999 > 69 70 O 0.90247980701386 0.06622961107142 0.40421248590241 15.999 > 69 71 O 0.40247980701386 0.06622961107142 0.90421248590241 15.999 > 69 72 O 0.90247980701386 0.06622961107142 0.90421248590241 15.999 > 69 73 O 0.40247980701386 0.43377038892858 0.40421248590241 15.999 > 73 74 O 0.90247980701386 0.43377038892858 0.40421248590241 15.999 > 73 75 O 0.40247980701386 0.43377038892858 0.90421248590241 15.999 > 73 76 O 0.90247980701386 0.43377038892858 0.90421248590241 15.999 > 73 77 O 0.47305511475327 0.25000000000000 0.18630140105114 15.999 > 77 78 O 0.97305511475327 0.25000000000000 0.18630140105114 15.999 > 77 79 O 0.47305511475327 0.25000000000000 0.68630140105114 15.999 > 77 80 O 0.97305511475327 0.25000000000000 0.68630140105114 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9252057 0.0000000 0.0000000 0.0000000 4.6928653 0.0000000 0.0000000 0.0000000 4.8876439 -------------------------- Born effective charges -------------------------- 1 Nd 4.1849522 0.0000000 0.1199910 0.0000000 3.5270320 0.0000000 0.2477568 0.0000000 4.1611918 2 Nd 4.1849522 0.0000000 -0.1199910 0.0000000 3.5270320 0.0000000 -0.2477568 0.0000000 4.1611918 3 Nd 4.1849522 0.0000000 -0.1199910 0.0000000 3.5270320 0.0000000 -0.2477568 0.0000000 4.1611918 4 Nd 4.1849522 0.0000000 0.1199910 0.0000000 3.5270320 0.0000000 0.2477568 0.0000000 4.1611918 5 In 3.3720013 -0.1023387 0.0947839 -0.0829175 3.3252691 -0.0020857 0.1486141 0.1544513 3.2784177 6 In 3.3720013 0.1023387 0.0947839 0.0829175 3.3252691 0.0020857 0.1486141 -0.1544513 3.2784177 7 In 3.3720013 -0.1023387 -0.0947839 -0.0829175 3.3252691 0.0020857 -0.1486141 -0.1544513 3.2784177 8 In 3.3720013 0.1023387 -0.0947839 0.0829175 3.3252691 -0.0020857 -0.1486141 0.1544513 3.2784177 9 O -2.2346485 0.0000000 0.5346869 0.0000000 -2.4060132 0.0000000 0.5066814 0.0000000 -2.7236030 10 O -2.6611525 0.1901963 0.0365637 0.2571922 -2.2231439 -0.0443930 0.0097548 -0.0599258 -2.3580033 11 O -2.6611525 -0.1901963 0.0365637 -0.2571922 -2.2231439 0.0443930 0.0097548 0.0599258 -2.3580033 12 O -2.6611525 -0.1901963 -0.0365637 -0.2571922 -2.2231439 -0.0443930 -0.0097548 -0.0599258 -2.3580033 13 O -2.6611525 0.1901963 -0.0365637 0.2571922 -2.2231439 0.0443930 -0.0097548 0.0599258 -2.3580033 14 O -2.2346485 0.0000000 -0.5346869 0.0000000 -2.4060132 0.0000000 -0.5066814 0.0000000 -2.7236030 15 O -2.2346485 0.0000000 -0.5346869 0.0000000 -2.4060132 0.0000000 -0.5066814 0.0000000 -2.7236030 16 O -2.6611525 -0.1901963 -0.0365637 -0.2571922 -2.2231439 -0.0443930 -0.0097548 -0.0599258 -2.3580033 17 O -2.6611525 0.1901963 -0.0365637 0.2571922 -2.2231439 0.0443930 -0.0097548 0.0599258 -2.3580033 18 O -2.6611525 -0.1901963 0.0365637 -0.2571922 -2.2231439 0.0443930 0.0097548 0.0599258 -2.3580033 19 O -2.6611525 0.1901963 0.0365637 0.2571922 -2.2231439 -0.0443930 0.0097548 -0.0599258 -2.3580033 20 O -2.2346485 0.0000000 0.5346869 0.0000000 -2.4060132 0.0000000 0.5066814 0.0000000 -2.7236030 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yzy) -0.00000002 (yzy) -0.00000002 (yyz) 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 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.556 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.723 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.788 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.605 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.701 ( 0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 10.741 ( 0.000 0.000 0.000) 0.000 10.849 ( 0.000 0.000 0.000) 0.000 11.513 ( 0.000 0.000 0.000) 0.000 11.698 ( 0.000 0.000 0.000) 0.000 11.885 ( 0.000 0.000 0.000) 0.000 11.928 ( 0.000 0.000 0.000) 0.000 12.089 ( 0.000 0.000 0.000) 0.000 12.241 ( 0.000 0.000 0.000) 0.000 12.322 ( 0.000 0.000 0.000) 0.000 12.689 ( 0.000 0.000 0.000) 0.000 13.199 ( 0.000 0.000 0.000) 0.000 14.192 ( 0.000 0.000 0.000) 0.000 14.495 ( 0.000 0.000 0.000) 0.000 14.543 ( 0.000 0.000 0.000) 0.000 14.769 ( 0.000 0.000 0.000) 0.000 14.803 ( 0.000 0.000 0.000) 0.000 15.143 ( 0.000 0.000 0.000) 0.000 15.464 ( 0.000 0.000 0.000) 0.000 15.880 ( 0.000 0.000 0.000) 0.000 16.348 ( 0.000 0.000 0.000) 0.000 16.487 ( 0.000 0.000 0.000) 0.000 17.801 ( 0.000 0.000 0.000) 0.000 17.833 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 27.763 0.000 0.000) 27.763 0.672 ( 31.318 0.000 0.000) 31.318 1.256 ( 58.046 0.000 0.000) 58.046 1.701 ( 6.108 0.000 0.000) 6.108 2.709 ( -14.735 0.000 0.000) 14.735 2.885 ( -7.543 0.000 0.000) 7.543 3.090 ( -9.171 0.000 0.000) 9.171 3.109 ( -2.769 0.000 0.000) 2.769 3.185 ( 0.379 0.000 0.000) 0.379 3.307 ( 3.753 0.000 0.000) 3.753 3.470 ( 21.317 0.000 0.000) 21.317 3.579 ( -3.849 0.000 0.000) 3.849 3.730 ( -5.748 0.000 0.000) 5.748 3.769 ( -3.015 0.000 0.000) 3.015 4.175 ( 11.265 0.000 0.000) 11.265 4.408 ( 9.394 0.000 0.000) 9.394 4.555 ( -3.388 0.000 0.000) 3.388 4.580 ( -17.223 0.000 0.000) 17.223 5.014 ( -2.028 0.000 0.000) 2.028 5.308 ( -7.783 0.000 0.000) 7.783 5.676 ( 4.514 0.000 0.000) 4.514 5.698 ( 5.976 0.000 0.000) 5.976 6.056 ( 11.827 0.000 0.000) 11.827 6.242 ( 1.258 0.000 0.000) 1.258 6.261 ( -12.754 0.000 0.000) 12.754 6.593 ( -9.740 0.000 0.000) 9.740 6.652 ( -0.740 0.000 0.000) 0.740 7.058 ( -4.351 0.000 0.000) 4.351 7.436 ( 6.079 0.000 0.000) 6.079 7.511 ( -13.681 0.000 0.000) 13.681 8.182 ( 5.056 0.000 0.000) 5.056 8.190 ( 3.066 0.000 0.000) 3.066 8.639 ( 2.662 0.000 0.000) 2.662 9.317 ( -6.516 0.000 0.000) 6.516 9.700 ( -0.511 0.000 0.000) 0.511 9.990 ( 2.743 0.000 0.000) 2.743 10.575 ( -12.968 0.000 0.000) 12.968 10.777 ( 3.592 0.000 0.000) 3.592 10.809 ( -3.608 0.000 0.000) 3.608 11.555 ( 3.883 0.000 0.000) 3.883 11.761 ( 4.652 0.000 0.000) 4.652 11.929 ( 1.153 0.000 0.000) 1.153 11.982 ( 6.772 0.000 0.000) 6.772 12.285 ( -2.038 0.000 0.000) 2.038 12.442 ( 18.288 0.000 0.000) 18.288 12.640 ( -4.630 0.000 0.000) 4.630 13.287 ( 9.167 0.000 0.000) 9.167 13.460 ( 11.297 0.000 0.000) 11.297 14.231 ( 3.323 0.000 0.000) 3.323 14.432 ( -4.249 0.000 0.000) 4.249 14.728 ( -7.125 0.000 0.000) 7.125 14.889 ( 6.205 0.000 0.000) 6.205 14.930 ( 2.017 0.000 0.000) 2.017 14.936 ( -13.228 0.000 0.000) 13.228 15.810 ( -6.678 0.000 0.000) 6.678 16.400 ( -8.262 0.000 0.000) 8.262 16.546 ( 15.616 0.000 0.000) 15.616 17.814 ( -1.800 0.000 0.000) 1.800 17.816 ( 1.468 0.000 0.000) 1.468 18.264 ( -1.888 0.000 0.000) 1.888 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 25.712 0.000 0.000) 25.712 1.303 ( 27.800 0.000 0.000) 27.800 1.848 ( 6.309 0.000 0.000) 6.309 2.373 ( 42.766 0.000 0.000) 42.766 2.402 ( -12.995 0.000 0.000) 12.995 2.690 ( -9.591 0.000 0.000) 9.591 2.886 ( -8.320 0.000 0.000) 8.320 3.082 ( 4.165 0.000 0.000) 4.165 3.190 ( -0.092 0.000 0.000) 0.092 3.413 ( 6.002 0.000 0.000) 6.002 3.436 ( -9.859 0.000 0.000) 9.859 3.570 ( -8.725 0.000 0.000) 8.725 3.687 ( -4.252 0.000 0.000) 4.252 3.975 ( 25.212 0.000 0.000) 25.212 4.122 ( -22.637 0.000 0.000) 22.637 4.437 ( -7.019 0.000 0.000) 7.019 4.479 ( 16.675 0.000 0.000) 16.675 4.723 ( 17.739 0.000 0.000) 17.739 4.973 ( -1.233 0.000 0.000) 1.233 5.165 ( -5.738 0.000 0.000) 5.738 5.769 ( -0.664 0.000 0.000) 0.664 5.823 ( 8.894 0.000 0.000) 8.894 5.944 ( -16.413 0.000 0.000) 16.413 6.129 ( -6.671 0.000 0.000) 6.671 6.278 ( 2.005 0.000 0.000) 2.005 6.391 ( -8.791 0.000 0.000) 8.791 6.773 ( 12.954 0.000 0.000) 12.954 6.887 ( -11.116 0.000 0.000) 11.116 7.139 ( -20.243 0.000 0.000) 20.243 7.538 ( 2.501 0.000 0.000) 2.501 8.256 ( 3.060 0.000 0.000) 3.060 8.300 ( 5.285 0.000 0.000) 5.285 8.696 ( 2.801 0.000 0.000) 2.801 9.163 ( -7.322 0.000 0.000) 7.322 9.670 ( -2.206 0.000 0.000) 2.206 10.075 ( 5.290 0.000 0.000) 5.290 10.241 ( -17.190 0.000 0.000) 17.190 10.704 ( -6.181 0.000 0.000) 6.181 10.897 ( 7.803 0.000 0.000) 7.803 11.668 ( 6.523 0.000 0.000) 6.523 11.777 ( -5.141 0.000 0.000) 5.141 11.965 ( 2.493 0.000 0.000) 2.493 12.100 ( 2.699 0.000 0.000) 2.699 12.359 ( 11.254 0.000 0.000) 11.254 12.503 ( -7.965 0.000 0.000) 7.965 12.960 ( 29.375 0.000 0.000) 29.375 13.604 ( 19.138 0.000 0.000) 19.138 13.782 ( 20.053 0.000 0.000) 20.053 14.309 ( 3.458 0.000 0.000) 3.458 14.330 ( -25.301 0.000 0.000) 25.301 14.354 ( -3.132 0.000 0.000) 3.132 14.833 ( -0.452 0.000 0.000) 0.452 14.983 ( 2.830 0.000 0.000) 2.830 15.008 ( 4.439 0.000 0.000) 4.439 15.598 ( -13.393 0.000 0.000) 13.393 16.137 ( -16.710 0.000 0.000) 16.710 16.901 ( 16.750 0.000 0.000) 16.750 17.755 ( -3.906 0.000 0.000) 3.906 17.862 ( 2.853 0.000 0.000) 2.853 18.207 ( -3.420 0.000 0.000) 3.420 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 22.474 0.000 0.000) 22.474 1.756 ( 11.347 0.000 0.000) 11.347 1.905 ( -1.314 0.000 0.000) 1.314 2.286 ( 6.529 0.000 0.000) 6.529 2.431 ( -13.140 0.000 0.000) 13.140 2.796 ( -1.186 0.000 0.000) 1.186 2.829 ( 6.841 0.000 0.000) 6.841 3.167 ( -3.011 0.000 0.000) 3.011 3.184 ( -11.932 0.000 0.000) 11.932 3.361 ( -10.894 0.000 0.000) 10.894 3.412 ( 8.209 0.000 0.000) 8.209 3.511 ( -1.140 0.000 0.000) 1.140 3.710 ( 12.358 0.000 0.000) 12.358 3.723 ( -8.749 0.000 0.000) 8.749 4.367 ( 6.731 0.000 0.000) 6.731 4.500 ( 23.707 0.000 0.000) 23.707 4.816 ( 12.268 0.000 0.000) 12.268 4.993 ( 4.148 0.000 0.000) 4.148 5.061 ( -4.231 0.000 0.000) 4.231 5.087 ( 11.572 0.000 0.000) 11.572 5.603 ( -14.444 0.000 0.000) 14.444 5.652 ( -7.470 0.000 0.000) 7.470 5.869 ( -15.791 0.000 0.000) 15.791 5.993 ( 3.310 0.000 0.000) 3.310 6.219 ( -5.871 0.000 0.000) 5.871 6.315 ( 1.017 0.000 0.000) 1.017 6.651 ( -9.354 0.000 0.000) 9.354 6.736 ( -15.747 0.000 0.000) 15.747 7.089 ( 14.976 0.000 0.000) 14.976 7.521 ( -4.211 0.000 0.000) 4.211 8.317 ( 2.618 0.000 0.000) 2.618 8.373 ( 1.254 0.000 0.000) 1.254 8.774 ( 4.943 0.000 0.000) 4.943 9.022 ( -6.082 0.000 0.000) 6.082 9.631 ( -0.531 0.000 0.000) 0.531 9.903 ( -13.905 0.000 0.000) 13.905 10.210 ( 7.373 0.000 0.000) 7.373 10.554 ( -7.927 0.000 0.000) 7.927 11.096 ( 10.787 0.000 0.000) 10.787 11.588 ( -11.255 0.000 0.000) 11.255 11.818 ( 7.448 0.000 0.000) 7.448 12.038 ( 4.395 0.000 0.000) 4.395 12.085 ( -3.485 0.000 0.000) 3.485 12.324 ( -8.518 0.000 0.000) 8.518 12.720 ( 21.322 0.000 0.000) 21.322 13.606 ( 28.491 0.000 0.000) 28.491 13.778 ( -24.865 0.000 0.000) 24.865 13.949 ( 13.027 0.000 0.000) 13.027 14.285 ( -3.935 0.000 0.000) 3.935 14.340 ( -1.774 0.000 0.000) 1.774 14.357 ( 32.348 0.000 0.000) 32.348 14.847 ( 1.941 0.000 0.000) 1.941 15.044 ( 2.910 0.000 0.000) 2.910 15.063 ( 0.640 0.000 0.000) 0.640 15.263 ( -17.323 0.000 0.000) 17.323 15.697 ( -24.848 0.000 0.000) 24.848 17.225 ( 13.672 0.000 0.000) 13.672 17.645 ( -6.563 0.000 0.000) 6.563 17.935 ( 4.025 0.000 0.000) 4.025 18.124 ( -4.385 0.000 0.000) 4.385 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -2.532 0.000 0.000) 2.532 1.847 ( 2.532 0.000 0.000) 2.532 2.101 ( -18.144 0.000 0.000) 18.144 2.101 ( 18.144 0.000 0.000) 18.144 2.610 ( -17.395 0.000 0.000) 17.395 2.610 ( 17.395 0.000 0.000) 17.395 3.010 ( -10.484 0.000 0.000) 10.484 3.010 ( 10.484 0.000 0.000) 10.484 3.142 ( -8.045 0.000 0.000) 8.045 3.142 ( 8.045 0.000 0.000) 8.045 3.420 ( -0.524 0.000 0.000) 0.524 3.420 ( 0.524 0.000 0.000) 0.524 3.778 ( -5.270 0.000 0.000) 5.270 3.778 ( 5.270 0.000 0.000) 5.270 4.851 ( -28.564 0.000 0.000) 28.564 4.851 ( 28.564 0.000 0.000) 28.564 4.899 ( -7.904 0.000 0.000) 7.904 4.899 ( 7.904 0.000 0.000) 7.904 5.010 ( -2.710 0.000 0.000) 2.710 5.010 ( 2.710 0.000 0.000) 2.710 5.543 ( -11.738 0.000 0.000) 11.738 5.543 ( 11.738 0.000 0.000) 11.738 5.787 ( -16.202 0.000 0.000) 16.202 5.787 ( 16.202 0.000 0.000) 16.202 6.276 ( -5.433 0.000 0.000) 5.433 6.276 ( 5.433 0.000 0.000) 5.433 6.553 ( -1.007 0.000 0.000) 1.007 6.553 ( 1.007 0.000 0.000) 1.007 7.363 ( -10.565 0.000 0.000) 10.565 7.363 ( 10.565 0.000 0.000) 10.565 8.363 ( -1.670 0.000 0.000) 1.670 8.363 ( 1.670 0.000 0.000) 1.670 8.896 ( -6.085 0.000 0.000) 6.085 8.896 ( 6.085 0.000 0.000) 6.085 9.686 ( -6.329 0.000 0.000) 6.329 9.686 ( 6.329 0.000 0.000) 6.329 10.379 ( -8.410 0.000 0.000) 8.410 10.379 ( 8.410 0.000 0.000) 8.410 11.339 ( -11.937 0.000 0.000) 11.937 11.339 ( 11.937 0.000 0.000) 11.937 11.970 ( -6.641 0.000 0.000) 6.641 11.970 ( 6.641 0.000 0.000) 6.641 12.160 ( -6.855 0.000 0.000) 6.855 12.160 ( 6.855 0.000 0.000) 6.855 13.217 ( -25.295 0.000 0.000) 25.295 13.217 ( 25.295 0.000 0.000) 25.295 14.151 ( -18.014 0.000 0.000) 18.014 14.151 ( 18.014 0.000 0.000) 18.014 14.166 ( -7.708 0.000 0.000) 7.708 14.166 ( 7.708 0.000 0.000) 7.708 14.954 ( -9.776 0.000 0.000) 9.776 14.954 ( 9.776 0.000 0.000) 9.776 14.982 ( -16.811 0.000 0.000) 16.811 14.982 ( 16.811 0.000 0.000) 16.811 15.161 ( -16.656 0.000 0.000) 16.656 15.161 ( 16.656 0.000 0.000) 16.656 17.473 ( -9.905 0.000 0.000) 9.905 17.473 ( 9.905 0.000 0.000) 9.905 18.027 ( -4.615 0.000 0.000) 4.615 18.027 ( 4.615 0.000 0.000) 4.615 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 25.742 0.000) 25.742 0.643 ( 0.000 31.122 0.000) 31.122 1.017 ( 0.000 47.326 0.000) 47.326 1.745 ( 0.000 8.351 0.000) 8.351 2.522 ( 0.000 -15.813 0.000) 15.813 2.863 ( 0.000 -19.275 0.000) 19.275 3.073 ( 0.000 -7.076 0.000) 7.076 3.184 ( 0.000 0.256 0.000) 0.256 3.338 ( 0.000 17.361 0.000) 17.361 3.377 ( 0.000 8.840 0.000) 8.840 3.514 ( 0.000 -16.101 0.000) 16.101 3.643 ( 0.000 10.973 0.000) 10.973 3.721 ( 0.000 7.971 0.000) 7.971 4.103 ( 0.000 4.891 0.000) 4.891 4.244 ( 0.000 -5.476 0.000) 5.476 4.514 ( 0.000 -4.400 0.000) 4.400 4.659 ( 0.000 -11.526 0.000) 11.526 4.680 ( 0.000 18.007 0.000) 18.007 5.083 ( 0.000 4.463 0.000) 4.463 5.265 ( 0.000 -7.063 0.000) 7.063 5.488 ( 0.000 -11.506 0.000) 11.506 5.864 ( 0.000 -0.292 0.000) 0.292 6.087 ( 0.000 -12.086 0.000) 12.086 6.354 ( 0.000 -11.118 0.000) 11.118 6.534 ( 0.000 10.619 0.000) 10.619 6.751 ( 0.000 1.884 0.000) 1.884 6.952 ( 0.000 -2.466 0.000) 2.466 7.322 ( 0.000 4.466 0.000) 4.466 7.412 ( 0.000 2.118 0.000) 2.118 7.657 ( 0.000 1.230 0.000) 1.230 7.746 ( 0.000 -3.724 0.000) 3.724 8.129 ( 0.000 -2.035 0.000) 2.035 8.515 ( 0.000 0.054 0.000) 0.054 8.595 ( 0.000 -0.950 0.000) 0.950 9.401 ( 0.000 0.592 0.000) 0.592 9.655 ( 0.000 -4.007 0.000) 4.007 10.119 ( 0.000 14.623 0.000) 14.623 10.925 ( 0.000 7.084 0.000) 7.084 11.492 ( 0.000 -1.880 0.000) 1.880 11.774 ( 0.000 -11.388 0.000) 11.388 11.872 ( 0.000 16.159 0.000) 16.159 11.918 ( 0.000 -0.148 0.000) 0.148 12.039 ( 0.000 -3.391 0.000) 3.391 12.324 ( 0.000 6.539 0.000) 6.539 12.370 ( 0.000 4.411 0.000) 4.411 12.673 ( 0.000 -1.633 0.000) 1.633 13.073 ( 0.000 -9.670 0.000) 9.670 13.823 ( 0.000 10.773 0.000) 10.773 14.020 ( 0.000 -16.256 0.000) 16.256 14.499 ( 0.000 0.588 0.000) 0.588 14.510 ( 0.000 -3.195 0.000) 3.195 14.781 ( 0.000 -2.327 0.000) 2.327 15.149 ( 0.000 2.381 0.000) 2.381 15.443 ( 0.000 -2.035 0.000) 2.035 15.881 ( 0.000 0.597 0.000) 0.597 16.381 ( 0.000 3.106 0.000) 3.106 16.414 ( 0.000 -6.656 0.000) 6.656 16.762 ( 0.000 -2.603 0.000) 2.603 17.846 ( 0.000 3.915 0.000) 3.915 17.870 ( 0.000 3.236 0.000) 3.236 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 16.894 13.780 0.000) 21.802 0.797 ( 20.361 15.659 0.000) 25.686 1.663 ( 44.197 30.728 0.000) 53.829 1.789 ( 4.220 6.185 0.000) 7.488 2.399 ( -9.357 -15.842 0.000) 18.398 2.796 ( -6.172 -13.165 0.000) 14.540 3.049 ( -3.570 -6.418 0.000) 7.344 3.144 ( -3.385 0.649 0.000) 3.446 3.325 ( -3.740 15.489 0.000) 15.934 3.357 ( -0.395 5.883 0.000) 5.897 3.460 ( -3.966 -14.925 0.000) 15.443 3.690 ( -2.878 8.257 0.000) 8.745 3.726 ( 11.413 8.323 0.000) 14.125 4.199 ( 6.621 0.530 0.000) 6.642 4.231 ( -22.369 24.934 0.000) 33.497 4.369 ( 11.235 -4.136 0.000) 11.972 4.490 ( -12.082 -5.692 0.000) 13.355 4.499 ( -2.801 2.200 0.000) 3.562 5.065 ( -0.836 5.095 0.000) 5.164 5.374 ( 4.349 -3.802 0.000) 5.777 5.590 ( 7.021 -10.254 0.000) 12.428 5.829 ( -11.269 7.739 0.000) 13.670 6.096 ( 0.485 -11.458 0.000) 11.468 6.138 ( -0.578 10.618 0.000) 10.633 6.275 ( -7.804 -14.655 0.000) 16.603 6.394 ( -11.543 10.465 0.000) 15.580 6.968 ( -8.323 7.532 0.000) 11.225 7.060 ( -0.412 7.036 0.000) 7.048 7.366 ( -8.926 -6.440 0.000) 11.007 7.615 ( 0.167 8.662 0.000) 8.664 8.094 ( 6.853 -8.491 0.000) 10.912 8.169 ( 3.002 -2.085 0.000) 3.655 8.640 ( 4.095 0.356 0.000) 4.111 9.327 ( -6.143 1.070 0.000) 6.236 9.438 ( 36.121 -40.874 0.000) 54.547 9.652 ( -0.725 -4.348 0.000) 4.408 10.155 ( 3.261 14.187 0.000) 14.557 10.893 ( -3.019 7.743 0.000) 8.311 11.530 ( 3.454 -2.284 0.000) 4.141 11.586 ( -20.495 14.467 0.000) 25.086 11.882 ( -2.244 -1.561 0.000) 2.733 11.911 ( 2.296 13.600 0.000) 13.793 11.981 ( 5.200 0.190 0.000) 5.203 12.327 ( -2.635 3.828 0.000) 4.647 12.443 ( 17.049 2.001 0.000) 17.166 12.634 ( -3.337 -0.311 0.000) 3.352 13.189 ( 10.880 -8.639 0.000) 13.893 13.721 ( 1.130 18.769 0.000) 18.803 14.072 ( 4.386 -15.245 0.000) 15.863 14.449 ( -3.379 1.735 0.000) 3.799 14.607 ( 3.047 -7.866 0.000) 8.435 14.854 ( 5.366 -3.362 0.000) 6.333 14.912 ( -17.051 1.655 0.000) 17.131 15.052 ( -11.231 3.933 0.000) 11.899 15.807 ( -7.058 0.289 0.000) 7.064 16.329 ( -8.129 -6.536 0.000) 10.431 16.586 ( 16.111 3.832 0.000) 16.560 17.655 ( 31.635 -34.769 0.000) 47.007 17.846 ( -0.947 3.268 0.000) 3.403 17.867 ( 0.510 3.809 0.000) 3.843 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 17.647 -0.765 0.000) 17.664 1.319 ( 26.010 2.667 0.000) 26.146 1.919 ( 7.712 3.732 0.000) 8.567 2.128 ( -11.052 -15.131 0.000) 18.737 2.623 ( 30.447 16.793 0.000) 34.771 2.657 ( -0.615 -6.467 0.000) 6.496 2.889 ( -9.054 -0.993 0.000) 9.108 3.114 ( -0.168 -5.140 0.000) 5.143 3.242 ( 1.344 14.305 0.000) 14.368 3.322 ( -5.302 -0.407 0.000) 5.317 3.370 ( -5.191 -18.618 0.000) 19.328 3.617 ( -3.675 8.418 0.000) 9.185 3.829 ( -12.475 10.970 0.000) 16.612 4.060 ( -15.050 -3.521 0.000) 15.456 4.132 ( 20.301 12.449 0.000) 23.814 4.421 ( -3.904 4.460 0.000) 5.928 4.524 ( 13.842 1.136 0.000) 13.889 4.704 ( 18.337 0.749 0.000) 18.352 5.069 ( 1.609 8.626 0.000) 8.775 5.382 ( -3.548 11.601 0.000) 12.132 5.694 ( 1.560 -7.207 0.000) 7.374 5.746 ( 3.992 -4.588 0.000) 6.082 6.004 ( -13.573 2.660 0.000) 13.831 6.085 ( -9.614 -11.848 0.000) 15.257 6.197 ( -1.155 -3.612 0.000) 3.792 6.206 ( -1.221 -3.741 0.000) 3.935 6.830 ( -8.286 -3.088 0.000) 8.843 7.032 ( -20.153 -8.955 0.000) 22.053 7.050 ( 4.256 16.897 0.000) 17.425 7.654 ( 1.166 9.246 0.000) 9.319 8.222 ( 5.388 -7.495 0.000) 9.231 8.232 ( 2.754 -2.420 0.000) 3.666 8.728 ( 3.917 3.156 0.000) 5.031 9.181 ( -7.014 1.840 0.000) 7.251 9.618 ( -2.254 -4.732 0.000) 5.242 9.797 ( 3.471 -26.725 0.000) 26.949 10.239 ( 4.379 13.562 0.000) 14.251 10.803 ( -5.437 9.182 0.000) 10.671 11.270 ( -7.041 21.451 0.000) 22.577 11.627 ( 5.151 -3.345 0.000) 6.142 11.875 ( -6.299 7.949 0.000) 10.142 11.890 ( 1.739 -7.560 0.000) 7.757 12.074 ( 2.083 -1.919 0.000) 2.833 12.321 ( 0.081 -2.894 0.000) 2.895 12.592 ( 2.997 8.228 0.000) 8.757 12.957 ( 29.583 0.456 0.000) 29.586 13.564 ( 24.170 -5.432 0.000) 24.773 13.843 ( 7.748 6.875 0.000) 10.359 14.176 ( 4.676 -12.999 0.000) 13.814 14.392 ( -1.836 3.573 0.000) 4.018 14.399 ( -20.133 6.392 0.000) 21.123 14.720 ( -0.345 -9.528 0.000) 9.534 14.958 ( 3.932 -4.600 0.000) 6.052 14.971 ( 0.605 -1.959 0.000) 2.051 15.582 ( -14.289 -0.743 0.000) 14.308 16.069 ( -16.583 -6.306 0.000) 17.741 16.950 ( 17.102 4.749 0.000) 17.749 17.797 ( -3.516 3.781 0.000) 5.164 17.897 ( 2.076 2.907 0.000) 3.572 17.991 ( 6.111 -17.723 0.000) 18.747 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 12.197 -12.112 0.000) 17.189 1.769 ( 6.081 0.683 0.000) 6.119 1.950 ( 5.139 -18.481 0.000) 19.182 2.087 ( 7.469 6.869 0.000) 10.148 2.572 ( -1.899 2.108 0.000) 2.838 2.751 ( -3.874 -4.160 0.000) 5.685 2.905 ( 0.713 6.852 0.000) 6.889 3.055 ( -9.139 -7.930 0.000) 12.100 3.164 ( -4.352 -0.855 0.000) 4.435 3.209 ( -8.819 -18.833 0.000) 20.795 3.471 ( -10.089 -2.576 0.000) 10.413 3.484 ( -3.574 4.727 0.000) 5.926 3.793 ( 19.219 15.953 0.000) 24.978 3.891 ( 0.195 14.204 0.000) 14.205 4.422 ( 9.268 7.124 0.000) 11.689 4.602 ( 22.201 8.791 0.000) 23.878 4.843 ( 14.094 1.316 0.000) 14.156 5.071 ( 12.799 0.238 0.000) 12.802 5.150 ( 6.533 12.647 0.000) 14.234 5.278 ( -5.512 14.873 0.000) 15.861 5.587 ( -17.011 -0.998 0.000) 17.040 5.690 ( -6.981 3.124 0.000) 7.648 5.754 ( -10.664 -8.554 0.000) 13.671 5.983 ( 3.521 -4.785 0.000) 5.940 6.080 ( -7.252 -9.011 0.000) 11.567 6.236 ( 1.925 -7.281 0.000) 7.531 6.603 ( -11.107 -4.407 0.000) 11.950 6.612 ( -17.126 -10.968 0.000) 20.337 7.246 ( 11.689 12.989 0.000) 17.475 7.624 ( -4.270 8.698 0.000) 9.690 8.283 ( 2.055 -3.329 0.000) 3.912 8.305 ( 2.134 -6.587 0.000) 6.924 8.815 ( 4.678 4.061 0.000) 6.195 9.046 ( -5.846 2.429 0.000) 6.330 9.578 ( -0.864 -5.032 0.000) 5.105 9.735 ( -6.555 -13.734 0.000) 15.218 10.351 ( 6.458 13.150 0.000) 14.650 10.667 ( -7.274 10.674 0.000) 12.916 11.266 ( 5.049 13.759 0.000) 14.656 11.633 ( -8.344 3.394 0.000) 9.008 11.802 ( 4.230 -1.435 0.000) 4.467 11.940 ( 2.427 -9.822 0.000) 10.117 12.066 ( -1.720 -1.498 0.000) 2.280 12.233 ( -6.711 -6.964 0.000) 9.671 12.834 ( 17.475 9.833 0.000) 20.051 13.575 ( 17.808 -2.379 0.000) 17.966 13.766 ( -4.310 3.143 0.000) 5.334 14.102 ( 8.174 8.635 0.000) 11.890 14.237 ( 0.591 -8.329 0.000) 8.350 14.296 ( 25.678 -4.960 0.000) 26.153 14.358 ( -2.381 4.455 0.000) 5.051 14.741 ( 2.628 -9.014 0.000) 9.389 15.004 ( -0.097 -5.319 0.000) 5.320 15.010 ( 2.462 -3.399 0.000) 4.197 15.221 ( -18.750 -2.900 0.000) 18.973 15.631 ( -24.682 -6.071 0.000) 25.418 17.279 ( 13.775 5.125 0.000) 14.698 17.695 ( -6.275 4.476 0.000) 7.708 17.949 ( 2.704 0.993 0.000) 2.880 18.038 ( -0.376 -7.739 0.000) 7.748 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -7.894 -13.267 0.000) 15.438 1.647 ( 7.894 -13.267 0.000) 15.438 2.177 ( -2.455 0.772 0.000) 2.573 2.177 ( 2.455 0.772 0.000) 2.573 2.608 ( -8.122 1.595 0.000) 8.277 2.608 ( 8.122 1.595 0.000) 8.277 2.958 ( -0.400 -8.611 0.000) 8.621 2.958 ( 0.400 -8.611 0.000) 8.621 3.070 ( -1.682 -4.406 0.000) 4.716 3.070 ( 1.682 -4.406 0.000) 4.716 3.374 ( -2.314 -2.265 0.000) 3.237 3.374 ( 2.314 -2.265 0.000) 3.237 3.947 ( -2.167 17.079 0.000) 17.215 3.947 ( 2.167 17.079 0.000) 17.215 4.906 ( -24.061 6.369 0.000) 24.890 4.906 ( 24.061 6.369 0.000) 24.890 4.990 ( -11.695 7.965 0.000) 14.150 4.990 ( 11.695 7.965 0.000) 14.150 5.193 ( -1.093 11.817 0.000) 11.867 5.193 ( 1.093 11.817 0.000) 11.867 5.453 ( -13.896 -5.216 0.000) 14.842 5.453 ( 13.896 -5.216 0.000) 14.842 5.793 ( -13.269 -0.692 0.000) 13.287 5.793 ( 13.269 -0.692 0.000) 13.287 6.188 ( -8.033 -8.784 0.000) 11.904 6.188 ( 8.033 -8.784 0.000) 11.904 6.441 ( -2.413 -9.370 0.000) 9.675 6.441 ( 2.413 -9.370 0.000) 9.675 7.477 ( -9.426 9.766 0.000) 13.573 7.477 ( 9.426 9.766 0.000) 13.573 8.315 ( -0.826 -4.781 0.000) 4.852 8.315 ( 0.826 -4.781 0.000) 4.852 8.926 ( -5.608 3.183 0.000) 6.449 8.926 ( 5.608 3.183 0.000) 6.449 9.609 ( -4.135 -7.006 0.000) 8.135 9.609 ( 4.135 -7.006 0.000) 8.135 10.505 ( -7.828 11.917 0.000) 14.258 10.505 ( 7.828 11.917 0.000) 14.258 11.428 ( -9.482 7.996 0.000) 12.403 11.428 ( 9.482 7.996 0.000) 12.403 11.916 ( -4.833 -6.478 0.000) 8.082 11.916 ( 4.833 -6.478 0.000) 8.082 12.098 ( -5.222 -4.631 0.000) 6.979 12.098 ( 5.222 -4.631 0.000) 6.979 13.256 ( -21.615 4.169 0.000) 22.014 13.256 ( 21.615 4.169 0.000) 22.014 14.159 ( -13.513 -0.084 0.000) 13.514 14.159 ( 13.513 -0.084 0.000) 13.514 14.230 ( -7.017 5.633 0.000) 8.998 14.230 ( 7.017 5.633 0.000) 8.998 14.818 ( -14.621 -10.324 0.000) 17.899 14.818 ( 14.621 -10.324 0.000) 17.899 14.954 ( -15.605 -3.963 0.000) 16.101 14.954 ( 15.605 -3.963 0.000) 16.101 15.111 ( -14.684 -4.644 0.000) 15.401 15.111 ( 14.684 -4.644 0.000) 15.401 17.527 ( -9.790 4.983 0.000) 10.985 17.527 ( 9.790 4.983 0.000) 10.985 18.005 ( -2.390 -2.278 0.000) 3.302 18.005 ( 2.390 -2.278 0.000) 3.302 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.000 24.550 0.000) 24.550 1.265 ( 0.000 29.473 0.000) 29.473 1.803 ( 0.000 -5.981 0.000) 5.981 1.844 ( 0.000 29.107 0.000) 29.107 2.304 ( 0.000 -5.232 0.000) 5.232 2.437 ( 0.000 -21.034 0.000) 21.034 3.032 ( 0.000 4.691 0.000) 4.691 3.209 ( 0.000 1.227 0.000) 1.227 3.212 ( 0.000 -7.467 0.000) 7.467 3.535 ( 0.000 -0.399 0.000) 0.399 3.600 ( 0.000 12.592 0.000) 12.592 3.844 ( 0.000 2.832 0.000) 2.832 3.902 ( 0.000 12.181 0.000) 12.181 4.091 ( 0.000 -8.607 0.000) 8.607 4.173 ( 0.000 -4.238 0.000) 4.238 4.361 ( 0.000 -10.380 0.000) 10.380 4.484 ( 0.000 2.510 0.000) 2.510 5.013 ( 0.000 13.058 0.000) 13.058 5.160 ( 0.000 -1.321 0.000) 1.321 5.165 ( 0.000 -18.929 0.000) 18.929 5.234 ( 0.000 10.344 0.000) 10.344 5.800 ( 0.000 -15.129 0.000) 15.129 5.850 ( 0.000 -0.659 0.000) 0.659 6.092 ( 0.000 -13.133 0.000) 13.133 6.789 ( 0.000 1.912 0.000) 1.912 6.797 ( 0.000 14.119 0.000) 14.119 6.892 ( 0.000 -3.082 0.000) 3.082 7.323 ( 0.000 -9.449 0.000) 9.449 7.429 ( 0.000 5.607 0.000) 5.607 7.653 ( 0.000 -5.092 0.000) 5.092 7.779 ( 0.000 8.637 0.000) 8.637 8.064 ( 0.000 -4.421 0.000) 4.421 8.521 ( 0.000 0.601 0.000) 0.601 8.569 ( 0.000 -1.444 0.000) 1.444 9.423 ( 0.000 1.708 0.000) 1.708 9.560 ( 0.000 -4.776 0.000) 4.776 10.510 ( 0.000 22.376 0.000) 22.376 11.109 ( 0.000 10.014 0.000) 10.014 11.430 ( 0.000 -4.473 0.000) 4.473 11.445 ( 0.000 -19.974 0.000) 19.974 11.921 ( 0.000 0.457 0.000) 0.457 11.977 ( 0.000 -2.485 0.000) 2.485 12.300 ( 0.000 22.370 0.000) 22.370 12.480 ( 0.000 8.451 0.000) 8.451 12.500 ( 0.000 10.020 0.000) 10.020 12.623 ( 0.000 -3.193 0.000) 3.193 12.865 ( 0.000 -10.157 0.000) 10.157 13.565 ( 0.000 -27.139 0.000) 27.139 14.053 ( 0.000 11.027 0.000) 11.027 14.413 ( 0.000 -6.185 0.000) 6.185 14.529 ( 0.000 2.525 0.000) 2.525 14.707 ( 0.000 -4.719 0.000) 4.719 15.215 ( 0.000 3.934 0.000) 3.934 15.384 ( 0.000 -3.588 0.000) 3.588 15.928 ( 0.000 4.347 0.000) 4.347 16.243 ( 0.000 -9.351 0.000) 9.351 16.468 ( 0.000 5.116 0.000) 5.116 16.686 ( 0.000 -4.632 0.000) 4.632 17.929 ( 0.000 3.504 0.000) 3.504 17.939 ( 0.000 2.893 0.000) 2.893 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 5.040 20.236 0.000) 20.854 1.234 ( 3.131 24.310 0.000) 24.511 1.810 ( 0.984 -6.870 0.000) 6.940 2.061 ( -3.031 -7.894 0.000) 8.456 2.300 ( 19.183 12.859 0.000) 23.094 2.517 ( 2.519 -10.382 0.000) 10.683 2.976 ( -4.418 1.849 0.000) 4.790 3.163 ( -5.080 -0.522 0.000) 5.107 3.187 ( -0.370 -1.883 0.000) 1.919 3.540 ( -4.535 11.390 0.000) 12.259 3.607 ( 1.293 6.434 0.000) 6.563 3.836 ( -1.506 4.912 0.000) 5.137 3.872 ( 3.652 5.182 0.000) 6.339 4.107 ( -3.935 -8.871 0.000) 9.704 4.206 ( 6.984 -9.434 0.000) 11.738 4.245 ( -10.402 -9.999 0.000) 14.429 4.555 ( 9.173 11.594 0.000) 14.784 4.875 ( -7.582 20.553 0.000) 21.907 5.188 ( 2.720 -0.443 0.000) 2.756 5.273 ( 6.372 -3.084 0.000) 7.079 5.339 ( 7.747 -6.334 0.000) 10.007 5.814 ( -4.003 -5.158 0.000) 6.529 5.822 ( 2.033 -14.506 0.000) 14.648 5.963 ( -10.468 -12.859 0.000) 16.581 6.463 ( -11.525 14.631 0.000) 18.625 6.650 ( -12.781 13.760 0.000) 18.780 6.900 ( -6.405 -6.990 0.000) 9.481 7.185 ( -12.906 -10.980 0.000) 16.945 7.348 ( -0.006 13.937 0.000) 13.937 7.810 ( 2.646 9.517 0.000) 9.878 7.866 ( 8.423 -12.543 0.000) 15.108 8.103 ( 2.876 -4.476 0.000) 5.320 8.663 ( 8.176 2.131 0.000) 8.449 8.922 ( 25.951 -14.020 0.000) 29.496 9.364 ( -4.984 2.668 0.000) 5.654 9.545 ( -1.629 -5.627 0.000) 5.858 10.542 ( 2.840 22.323 0.000) 22.503 11.095 ( -1.403 11.076 0.000) 11.164 11.451 ( 0.468 -17.614 0.000) 17.620 11.457 ( 2.391 -5.209 0.000) 5.732 11.933 ( -4.305 2.366 0.000) 4.913 11.983 ( 2.347 -0.369 0.000) 2.376 12.235 ( -6.291 14.465 0.000) 15.774 12.417 ( -6.655 3.532 0.000) 7.534 12.556 ( 12.012 8.350 0.000) 14.629 12.681 ( 5.349 8.666 0.000) 10.183 12.978 ( 11.554 -11.113 0.000) 16.031 13.639 ( 6.288 -25.824 0.000) 26.579 14.062 ( 0.635 13.863 0.000) 13.878 14.457 ( 2.961 -7.179 0.000) 7.765 14.509 ( -1.086 4.321 0.000) 4.455 14.755 ( 3.707 -6.062 0.000) 7.105 14.965 ( -19.116 3.243 0.000) 19.389 15.078 ( -16.431 -0.952 0.000) 16.459 15.849 ( -7.599 4.151 0.000) 8.659 16.160 ( -7.954 -9.279 0.000) 12.221 16.699 ( 17.859 7.142 0.000) 19.235 17.147 ( 28.577 -17.051 0.000) 33.277 17.922 ( -0.908 3.493 0.000) 3.609 17.942 ( 0.317 2.859 0.000) 2.877 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 5.354 10.946 0.000) 12.186 1.439 ( 14.498 9.183 0.000) 17.161 1.862 ( 4.233 -10.739 0.000) 11.543 1.886 ( -9.411 -9.024 0.000) 13.038 2.465 ( -0.593 -8.082 0.000) 8.104 2.717 ( 5.831 -14.484 0.000) 15.614 2.859 ( -6.651 0.607 0.000) 6.679 3.037 ( -5.172 -3.971 0.000) 6.520 3.306 ( 4.604 18.572 0.000) 19.135 3.396 ( -9.612 7.297 0.000) 12.068 3.560 ( 6.610 13.782 0.000) 15.285 3.702 ( -11.923 -1.613 0.000) 12.032 3.914 ( -8.690 -0.163 0.000) 8.691 4.072 ( 3.955 5.911 0.000) 7.112 4.257 ( 19.769 -2.212 0.000) 19.892 4.441 ( 14.235 -7.721 0.000) 16.194 4.755 ( -3.554 22.874 0.000) 23.149 4.843 ( 16.257 11.659 0.000) 20.005 5.282 ( 6.148 9.442 0.000) 11.267 5.393 ( 4.372 -6.131 0.000) 7.531 5.491 ( 5.603 -10.237 0.000) 11.670 5.713 ( -4.212 -4.580 0.000) 6.222 5.765 ( -7.209 -12.772 0.000) 14.666 5.877 ( 2.665 -11.898 0.000) 12.193 6.294 ( -8.269 10.056 0.000) 13.019 6.310 ( -18.334 10.829 0.000) 21.293 6.719 ( -10.174 -7.532 0.000) 12.659 6.812 ( -21.449 -12.063 0.000) 24.609 7.400 ( 4.866 16.560 0.000) 17.260 7.854 ( 0.730 9.584 0.000) 9.611 8.009 ( 5.871 -12.770 0.000) 14.055 8.157 ( 1.967 -4.924 0.000) 5.302 8.829 ( 6.665 6.860 0.000) 9.565 9.243 ( -5.947 4.274 0.000) 7.324 9.323 ( 10.992 -18.866 0.000) 21.835 9.494 ( -2.865 -6.917 0.000) 7.487 10.618 ( 4.092 22.113 0.000) 22.488 11.048 ( -3.144 13.759 0.000) 14.114 11.466 ( 1.194 -9.120 0.000) 9.197 11.523 ( 3.632 -7.237 0.000) 8.097 11.781 ( -6.664 4.204 0.000) 7.880 12.023 ( 0.282 -3.389 0.000) 3.401 12.050 ( -10.375 8.022 0.000) 13.115 12.256 ( -8.078 -3.358 0.000) 8.749 12.847 ( 10.173 17.091 0.000) 19.889 13.012 ( 28.579 5.380 0.000) 29.081 13.391 ( 27.157 -10.525 0.000) 29.125 13.792 ( 7.544 -23.391 0.000) 24.577 14.032 ( -4.959 10.618 0.000) 11.719 14.495 ( -3.772 -11.693 0.000) 12.286 14.500 ( 0.116 6.864 0.000) 6.865 14.567 ( -11.350 9.246 0.000) 14.639 14.831 ( 3.037 -7.584 0.000) 8.170 14.894 ( -2.069 -5.496 0.000) 5.873 15.605 ( -15.569 3.502 0.000) 15.958 15.904 ( -16.366 -9.105 0.000) 18.728 17.091 ( 17.852 8.921 0.000) 19.957 17.617 ( 15.629 -17.119 0.000) 23.180 17.886 ( -2.598 4.327 0.000) 5.047 17.951 ( 0.474 1.711 0.000) 1.775 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 5.195 2.561 0.000) 5.792 1.648 ( -7.194 -6.155 0.000) 9.468 1.799 ( 12.120 -2.148 0.000) 12.309 1.972 ( 5.064 -17.501 0.000) 18.219 2.518 ( 6.039 -4.984 0.000) 7.830 2.705 ( -2.743 -18.778 0.000) 18.977 2.736 ( -4.034 3.580 0.000) 5.394 2.921 ( -8.393 -5.221 0.000) 9.885 3.182 ( -8.049 12.160 0.000) 14.583 3.191 ( -6.986 4.273 0.000) 8.190 3.427 ( -11.630 -2.926 0.000) 11.992 3.521 ( -11.206 -1.903 0.000) 11.367 4.218 ( 8.220 16.665 0.000) 18.582 4.230 ( 25.640 23.132 0.000) 34.533 4.627 ( 10.780 9.758 0.000) 14.541 4.777 ( 16.893 -8.251 0.000) 18.801 4.839 ( 17.127 13.706 0.000) 21.936 5.166 ( 12.118 9.137 0.000) 15.177 5.373 ( -7.662 -8.369 0.000) 11.346 5.444 ( 8.648 15.032 0.000) 17.342 5.536 ( -2.713 -4.928 0.000) 5.626 5.638 ( -3.316 -3.577 0.000) 4.877 5.728 ( 4.502 -13.188 0.000) 13.935 5.786 ( -16.301 5.840 0.000) 17.316 6.052 ( 0.560 -9.401 0.000) 9.418 6.065 ( -13.036 6.278 0.000) 14.469 6.335 ( -21.577 -15.082 0.000) 26.326 6.474 ( -12.654 -8.250 0.000) 15.106 7.544 ( 8.133 15.252 0.000) 17.285 7.825 ( -3.531 10.229 0.000) 10.822 8.115 ( 3.947 -11.563 0.000) 12.218 8.182 ( 0.381 -6.472 0.000) 6.483 8.942 ( 4.477 8.373 0.000) 9.495 9.128 ( -4.871 5.673 0.000) 7.477 9.431 ( 0.986 -14.804 0.000) 14.837 9.440 ( -1.844 -7.983 0.000) 8.193 10.714 ( 5.182 21.299 0.000) 21.921 10.959 ( -5.203 16.893 0.000) 17.676 11.509 ( 2.953 0.767 0.000) 3.051 11.592 ( 2.308 -9.392 0.000) 9.672 11.703 ( -0.910 -4.955 0.000) 5.038 11.839 ( -8.709 6.000 0.000) 10.576 12.006 ( -1.197 -4.813 0.000) 4.960 12.097 ( -6.522 -6.012 0.000) 8.871 13.100 ( 13.597 16.280 0.000) 21.211 13.587 ( 13.817 4.673 0.000) 14.586 13.892 ( 1.978 7.739 0.000) 7.988 13.940 ( 6.289 -19.789 0.000) 20.765 14.048 ( 32.257 -11.196 0.000) 34.145 14.270 ( -6.236 -3.221 0.000) 7.018 14.497 ( -1.123 8.564 0.000) 8.637 14.610 ( 5.625 1.001 0.000) 5.713 14.867 ( -0.299 -7.868 0.000) 7.874 14.906 ( 1.900 -6.665 0.000) 6.931 15.202 ( -21.802 1.920 0.000) 21.886 15.473 ( -24.237 -8.778 0.000) 25.777 17.423 ( 13.476 8.729 0.000) 16.056 17.806 ( -5.220 5.746 0.000) 7.763 17.842 ( 6.720 -10.655 0.000) 12.597 17.956 ( -0.221 -0.773 0.000) 0.804 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -7.881 -1.855 0.000) 8.096 1.464 ( 7.881 -1.855 0.000) 8.096 2.006 ( -3.836 -17.140 0.000) 17.564 2.006 ( 3.836 -17.140 0.000) 17.564 2.662 ( -5.411 1.454 0.000) 5.603 2.662 ( 5.411 1.454 0.000) 5.603 2.721 ( -6.089 -7.533 0.000) 9.686 2.721 ( 6.089 -7.533 0.000) 9.686 3.099 ( -1.595 5.576 0.000) 5.800 3.099 ( 1.595 5.576 0.000) 5.800 3.340 ( -4.176 -2.545 0.000) 4.890 3.340 ( 4.176 -2.545 0.000) 4.890 4.371 ( -5.047 21.967 0.000) 22.540 4.371 ( 5.047 21.967 0.000) 22.540 5.119 ( -10.023 -1.359 0.000) 10.115 5.119 ( 10.023 -1.358 0.000) 10.115 5.126 ( -25.138 2.389 0.000) 25.252 5.126 ( 25.138 2.389 0.000) 25.252 5.205 ( -10.665 12.535 0.000) 16.458 5.205 ( 10.665 12.535 0.000) 16.458 5.573 ( -2.241 6.116 0.000) 6.514 5.573 ( 2.241 6.116 0.000) 6.514 5.759 ( -12.252 1.128 0.000) 12.304 5.759 ( 12.252 1.128 0.000) 12.304 5.921 ( -11.303 -16.013 0.000) 19.600 5.921 ( 11.303 -16.013 0.000) 19.600 6.227 ( -9.471 -11.128 0.000) 14.613 6.227 ( 9.471 -11.128 0.000) 14.613 7.711 ( -7.068 12.305 0.000) 14.190 7.711 ( 7.068 12.305 0.000) 14.190 8.171 ( -1.456 -9.026 0.000) 9.143 8.171 ( 1.456 -9.026 0.000) 9.143 9.033 ( -4.286 7.240 0.000) 8.414 9.033 ( 4.286 7.240 0.000) 8.414 9.426 ( -0.390 -10.259 0.000) 10.267 9.426 ( 0.390 -10.259 0.000) 10.267 10.836 ( -6.171 19.468 0.000) 20.422 10.836 ( 6.171 19.468 0.000) 20.422 11.583 ( -3.268 -1.720 0.000) 3.693 11.583 ( 3.268 -1.720 0.000) 3.693 11.720 ( -2.437 -3.891 0.000) 4.591 11.720 ( 2.437 -3.891 0.000) 4.591 12.005 ( -1.839 -5.118 0.000) 5.438 12.005 ( 1.839 -5.118 0.000) 5.438 13.408 ( -15.145 11.129 0.000) 18.794 13.408 ( 15.145 11.129 0.000) 18.794 14.049 ( -3.148 -12.692 0.000) 13.077 14.049 ( 3.148 -12.692 0.000) 13.077 14.376 ( -13.463 8.264 0.000) 15.797 14.376 ( 13.463 8.264 0.000) 15.797 14.652 ( -21.058 -4.034 0.000) 21.441 14.652 ( 21.058 -4.034 0.000) 21.441 14.846 ( -15.825 -4.946 0.000) 16.580 14.846 ( 15.825 -4.946 0.000) 16.580 14.987 ( -11.514 -7.009 0.000) 13.480 14.987 ( 11.514 -7.009 0.000) 13.480 17.658 ( -8.917 7.386 0.000) 11.579 17.658 ( 8.917 7.386 0.000) 11.579 17.932 ( -2.303 -4.853 0.000) 5.372 17.932 ( 2.303 -4.853 0.000) 5.372 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.000 -20.163 0.000) 20.163 1.513 ( 0.000 20.163 0.000) 20.163 1.830 ( 0.000 -24.400 0.000) 24.400 1.830 ( 0.000 24.400 0.000) 24.400 2.266 ( 0.000 -0.982 0.000) 0.982 2.266 ( 0.000 0.982 0.000) 0.982 3.176 ( 0.000 -5.648 0.000) 5.648 3.176 ( 0.000 5.648 0.000) 5.648 3.328 ( 0.000 -15.246 0.000) 15.246 3.328 ( 0.000 15.246 0.000) 15.246 3.843 ( 0.000 -6.404 0.000) 6.404 3.843 ( 0.000 6.404 0.000) 6.404 3.983 ( 0.000 -3.639 0.000) 3.639 3.983 ( 0.000 3.639 0.000) 3.639 4.136 ( 0.000 -10.994 0.000) 10.994 4.136 ( 0.000 10.994 0.000) 10.994 4.764 ( 0.000 -19.085 0.000) 19.085 4.764 ( 0.000 19.085 0.000) 19.085 5.166 ( 0.000 -1.556 0.000) 1.556 5.166 ( 0.000 1.556 0.000) 1.556 5.493 ( 0.000 -14.421 0.000) 14.421 5.493 ( 0.000 14.421 0.000) 14.421 5.885 ( 0.000 -5.646 0.000) 5.646 5.885 ( 0.000 5.646 0.000) 5.646 6.834 ( 0.000 -2.521 0.000) 2.521 6.834 ( 0.000 2.521 0.000) 2.521 7.083 ( 0.000 -13.383 0.000) 13.383 7.083 ( 0.000 13.383 0.000) 13.383 7.544 ( 0.000 -5.503 0.000) 5.503 7.544 ( 0.000 5.503 0.000) 5.503 7.945 ( 0.000 -7.144 0.000) 7.144 7.945 ( 0.000 7.144 0.000) 7.144 8.540 ( 0.000 -1.258 0.000) 1.258 8.540 ( 0.000 1.258 0.000) 1.258 9.475 ( 0.000 -3.395 0.000) 3.395 9.475 ( 0.000 3.395 0.000) 3.395 10.990 ( 0.000 -23.711 0.000) 23.711 10.990 ( 0.000 23.711 0.000) 23.711 11.301 ( 0.000 -8.167 0.000) 8.167 11.301 ( 0.000 8.167 0.000) 8.167 11.938 ( 0.000 -1.321 0.000) 1.321 11.938 ( 0.000 1.321 0.000) 1.321 12.539 ( 0.000 -5.366 0.000) 5.366 12.539 ( 0.000 5.366 0.000) 5.366 12.664 ( 0.000 -9.499 0.000) 9.499 12.664 ( 0.000 9.499 0.000) 9.499 12.966 ( 0.000 -29.897 0.000) 29.897 12.966 ( 0.000 29.897 0.000) 29.897 14.259 ( 0.000 -8.904 0.000) 8.904 14.259 ( 0.000 8.904 0.000) 8.904 14.605 ( 0.000 -4.741 0.000) 4.741 14.605 ( 0.000 4.741 0.000) 4.741 15.302 ( 0.000 -4.309 0.000) 4.309 15.302 ( 0.000 4.309 0.000) 4.309 16.059 ( 0.000 -8.139 0.000) 8.139 16.059 ( 0.000 8.139 0.000) 8.139 16.580 ( 0.000 -5.590 0.000) 5.590 16.580 ( 0.000 5.590 0.000) 5.590 17.970 ( 0.000 -0.203 0.000) 0.203 17.970 ( 0.000 0.203 0.000) 0.203 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.773 -19.089 0.000) 19.105 1.522 ( 0.773 19.089 0.000) 19.105 1.722 ( -5.416 -22.112 0.000) 22.765 1.722 ( -5.416 22.112 0.000) 22.765 2.406 ( 6.522 -4.107 0.000) 7.707 2.406 ( 6.522 4.107 0.000) 7.707 3.088 ( -7.177 -6.416 0.000) 9.627 3.088 ( -7.177 6.416 0.000) 9.627 3.454 ( 12.969 -18.757 0.000) 22.804 3.454 ( 12.969 18.757 0.000) 22.804 3.786 ( -6.741 -11.011 0.000) 12.910 3.786 ( -6.741 11.011 0.000) 12.910 4.024 ( -8.892 -9.875 0.000) 13.289 4.024 ( -8.892 9.875 0.000) 13.289 4.040 ( 6.828 -5.513 0.000) 8.776 4.040 ( 6.828 5.513 0.000) 8.776 4.879 ( 9.930 -18.483 0.000) 20.982 4.879 ( 9.930 18.483 0.000) 20.982 5.188 ( 1.158 -9.149 0.000) 9.222 5.188 ( 1.158 9.149 0.000) 9.222 5.525 ( 2.963 -14.007 0.000) 14.317 5.525 ( 2.963 14.007 0.000) 14.317 5.772 ( -8.439 -4.174 0.000) 9.415 5.772 ( -8.439 4.174 0.000) 9.415 6.719 ( -8.153 -10.587 0.000) 13.363 6.719 ( -8.153 10.587 0.000) 13.363 6.932 ( -13.449 -13.412 0.000) 18.993 6.932 ( -13.449 13.412 0.000) 18.993 7.612 ( 4.746 -12.328 0.000) 13.210 7.612 ( 4.746 12.328 0.000) 13.210 7.984 ( 2.802 -7.208 0.000) 7.734 7.984 ( 2.802 7.208 0.000) 7.734 8.738 ( 14.864 -5.565 0.000) 15.872 8.738 ( 14.864 5.565 0.000) 15.872 9.438 ( -3.250 -4.546 0.000) 5.588 9.438 ( -3.250 4.546 0.000) 5.588 11.019 ( 2.603 -23.319 0.000) 23.464 11.019 ( 2.603 23.319 0.000) 23.464 11.309 ( 0.657 -9.218 0.000) 9.242 11.309 ( 0.657 9.218 0.000) 9.242 11.965 ( 0.668 -1.208 0.000) 1.380 11.965 ( 0.668 1.208 0.000) 1.380 12.409 ( -10.059 -3.960 0.000) 10.810 12.409 ( -10.059 3.960 0.000) 10.810 12.754 ( 10.853 -10.587 0.000) 15.162 12.754 ( 10.853 10.587 0.000) 15.162 13.081 ( 8.783 -26.759 0.000) 28.164 13.081 ( 8.783 26.759 0.000) 28.164 14.294 ( 2.159 -9.211 0.000) 9.461 14.294 ( 2.159 9.211 0.000) 9.461 14.622 ( 1.555 -6.462 0.000) 6.647 14.622 ( 1.555 6.462 0.000) 6.647 15.033 ( -18.533 -3.063 0.000) 18.784 15.033 ( -18.533 3.063 0.000) 18.784 15.977 ( -7.839 -8.071 0.000) 11.251 15.977 ( -7.839 8.071 0.000) 11.251 16.877 ( 21.640 -10.454 0.000) 24.032 16.877 ( 21.640 10.454 0.000) 24.032 17.967 ( -0.325 -0.567 0.000) 0.653 17.967 ( -0.325 0.567 0.000) 0.653 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.749 -18.108 0.000) 18.123 1.539 ( 0.749 18.108 0.000) 18.123 1.674 ( 0.348 -12.392 0.000) 12.397 1.674 ( 0.348 12.392 0.000) 12.397 2.448 ( -0.672 -7.637 0.000) 7.667 2.448 ( -0.672 7.637 0.000) 7.667 2.933 ( -6.439 -5.447 0.000) 8.433 2.933 ( -6.439 5.447 0.000) 8.433 3.577 ( -12.152 -8.969 0.000) 15.104 3.577 ( -12.152 8.969 0.000) 15.104 3.642 ( -7.174 -8.922 0.000) 11.448 3.642 ( -7.174 8.922 0.000) 11.448 4.048 ( 22.104 -14.906 0.000) 26.660 4.048 ( 22.104 14.906 0.000) 26.660 4.254 ( 12.610 -10.034 0.000) 16.115 4.254 ( 12.610 10.034 0.000) 16.115 5.131 ( 12.828 -15.315 0.000) 19.977 5.131 ( 12.828 15.315 0.000) 19.977 5.180 ( -2.050 -16.892 0.000) 17.016 5.180 ( -2.050 16.892 0.000) 17.016 5.610 ( 4.927 -13.461 0.000) 14.335 5.610 ( 4.927 13.461 0.000) 14.335 5.626 ( -4.524 -3.850 0.000) 5.940 5.626 ( -4.524 3.850 0.000) 5.940 6.527 ( -10.520 -11.113 0.000) 15.303 6.527 ( -10.520 11.113 0.000) 15.303 6.556 ( -21.506 -12.641 0.000) 24.946 6.556 ( -21.506 12.641 0.000) 24.946 7.722 ( 5.766 -15.014 0.000) 16.084 7.722 ( 5.766 15.014 0.000) 16.084 8.030 ( 1.131 -7.466 0.000) 7.551 8.030 ( 1.131 7.466 0.000) 7.551 9.016 ( 9.873 -11.660 0.000) 15.278 9.016 ( 9.873 11.660 0.000) 15.278 9.354 ( -4.300 -6.433 0.000) 7.738 9.354 ( -4.300 6.433 0.000) 7.738 11.090 ( 3.829 -22.778 0.000) 23.097 11.090 ( 3.829 22.778 0.000) 23.097 11.322 ( 0.367 -12.220 0.000) 12.226 11.322 ( 0.367 12.220 0.000) 12.226 11.924 ( -3.683 -6.427 0.000) 7.408 11.924 ( -3.683 6.427 0.000) 7.408 12.178 ( -10.998 -4.660 0.000) 11.945 12.178 ( -10.998 4.660 0.000) 11.945 13.173 ( 27.590 -9.914 0.000) 29.317 13.173 ( 27.590 9.914 0.000) 29.317 13.284 ( 10.014 -24.651 0.000) 26.608 13.284 ( 10.014 24.651 0.000) 26.608 14.258 ( -7.345 -11.355 0.000) 13.524 14.258 ( -7.345 11.355 0.000) 13.524 14.662 ( 1.900 -8.577 0.000) 8.785 14.662 ( 1.900 8.577 0.000) 8.785 14.751 ( -5.454 -8.311 0.000) 9.941 14.751 ( -5.454 8.311 0.000) 9.941 15.725 ( -16.133 -7.851 0.000) 17.942 15.725 ( -16.133 7.851 0.000) 17.942 17.312 ( 18.084 -12.771 0.000) 22.139 17.312 ( 18.084 12.771 0.000) 22.139 17.952 ( -1.215 -1.730 0.000) 2.114 17.952 ( -1.215 1.730 0.000) 2.114 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 1.762 -18.549 0.000) 18.632 1.562 ( 1.762 18.549 0.000) 18.632 1.680 ( -1.097 -7.323 0.000) 7.404 1.680 ( -1.097 7.323 0.000) 7.404 2.479 ( 5.326 -3.585 0.000) 6.420 2.479 ( 5.326 3.585 0.000) 6.420 2.825 ( -4.828 -4.441 0.000) 6.560 2.825 ( -4.828 4.441 0.000) 6.560 3.322 ( -10.201 -7.024 0.000) 12.385 3.322 ( -10.201 7.024 0.000) 12.385 3.408 ( -11.069 -8.817 0.000) 14.151 3.408 ( -11.069 8.817 0.000) 14.151 4.540 ( 13.783 -14.253 0.000) 19.828 4.540 ( 13.783 14.253 0.000) 19.828 4.628 ( 26.092 -12.351 0.000) 28.868 4.628 ( 26.092 12.351 0.000) 28.868 5.126 ( -0.763 -13.756 0.000) 13.777 5.126 ( -0.763 13.756 0.000) 13.777 5.377 ( 9.404 -10.013 0.000) 13.737 5.377 ( 9.404 10.013 0.000) 13.737 5.568 ( -1.703 -3.021 0.000) 3.468 5.568 ( -1.703 3.021 0.000) 3.468 5.738 ( 7.353 -12.306 0.000) 14.335 5.738 ( 7.353 12.306 0.000) 14.335 6.050 ( -25.484 -10.957 0.000) 27.739 6.050 ( -25.484 10.957 0.000) 27.739 6.271 ( -13.457 -11.246 0.000) 17.537 6.271 ( -13.457 11.246 0.000) 17.537 7.848 ( 5.905 -14.215 0.000) 15.393 7.848 ( 5.905 14.215 0.000) 15.393 8.023 ( -1.783 -8.891 0.000) 9.068 8.023 ( -1.783 8.891 0.000) 9.068 9.153 ( 3.912 -12.138 0.000) 12.752 9.153 ( 3.912 12.138 0.000) 12.752 9.271 ( -3.325 -8.061 0.000) 8.720 9.271 ( -3.325 8.061 0.000) 8.720 11.173 ( 4.015 -22.381 0.000) 22.738 11.173 ( 4.015 22.381 0.000) 22.738 11.313 ( -1.530 -16.597 0.000) 16.668 11.313 ( -1.530 16.597 0.000) 16.668 11.859 ( -1.748 -9.490 0.000) 9.650 11.859 ( -1.748 9.490 0.000) 9.650 11.974 ( -7.759 -6.382 0.000) 10.047 11.974 ( -7.759 6.382 0.000) 10.047 13.496 ( 10.104 -21.855 0.000) 24.077 13.496 ( 10.104 21.855 0.000) 24.077 13.768 ( 18.726 -12.222 0.000) 22.362 13.768 ( 18.726 12.222 0.000) 22.362 14.101 ( 2.674 -10.147 0.000) 10.494 14.101 ( 2.674 10.147 0.000) 10.494 14.687 ( -0.118 -9.496 0.000) 9.497 14.687 ( -0.118 9.496 0.000) 9.497 14.745 ( 2.411 -8.633 0.000) 8.963 14.745 ( 2.411 8.633 0.000) 8.963 15.301 ( -23.529 -7.294 0.000) 24.634 15.301 ( -23.529 7.294 0.000) 24.634 17.623 ( 11.510 -10.508 0.000) 15.586 17.623 ( 11.510 10.508 0.000) 15.586 17.908 ( -3.147 -3.877 0.000) 4.993 17.908 ( -3.147 3.877 0.000) 4.993 ======================= Grid point 35 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -3.622 -16.221 0.000) 16.620 1.621 ( 3.622 -16.221 0.000) 16.620 1.621 ( -3.622 16.221 0.000) 16.620 1.621 ( 3.622 16.221 0.000) 16.620 2.664 ( -10.282 -0.731 0.000) 10.308 2.664 ( -10.282 0.731 0.000) 10.308 2.664 ( 10.282 -0.731 0.000) 10.308 2.664 ( 10.282 0.731 0.000) 10.308 3.242 ( -3.275 -6.835 0.000) 7.580 3.242 ( 3.275 -6.835 0.000) 7.580 3.242 ( -3.275 6.835 0.000) 7.580 3.242 ( 3.275 6.835 0.000) 7.580 4.790 ( -8.097 -18.560 0.000) 20.249 4.790 ( 8.097 -18.560 0.000) 20.249 4.790 ( -8.097 18.560 0.000) 20.249 4.790 ( 8.097 18.560 0.000) 20.249 5.420 ( -20.689 -8.394 0.000) 22.327 5.420 ( -20.689 8.394 0.000) 22.327 5.420 ( 20.689 -8.394 0.000) 22.327 5.420 ( 20.689 8.394 0.000) 22.327 5.540 ( -2.831 -13.801 0.000) 14.088 5.540 ( 2.831 -13.801 0.000) 14.088 5.540 ( -2.831 13.801 0.000) 14.088 5.540 ( 2.831 13.801 0.000) 14.088 5.985 ( -12.739 -12.525 0.000) 17.864 5.985 ( 12.739 -12.525 0.000) 17.864 5.985 ( -12.739 12.525 0.000) 17.864 5.985 ( 12.739 12.525 0.000) 17.864 7.958 ( -4.291 -11.556 0.000) 12.327 7.958 ( 4.291 -11.556 0.000) 12.327 7.958 ( -4.291 11.556 0.000) 12.327 7.958 ( 4.291 11.556 0.000) 12.327 9.213 ( -2.395 -10.054 0.000) 10.336 9.213 ( 2.395 -10.054 0.000) 10.336 9.213 ( -2.395 10.054 0.000) 10.336 9.213 ( 2.395 10.054 0.000) 10.336 11.256 ( -3.620 -20.523 0.000) 20.840 11.256 ( 3.620 -20.523 0.000) 20.840 11.256 ( -3.620 20.523 0.000) 20.840 11.256 ( 3.620 20.523 0.000) 20.840 11.865 ( -2.560 -8.571 0.000) 8.945 11.865 ( 2.560 -8.571 0.000) 8.945 11.865 ( -2.560 8.571 0.000) 8.945 11.865 ( 2.560 8.571 0.000) 8.945 13.709 ( -9.939 -17.553 0.000) 20.172 13.709 ( 9.939 -17.553 0.000) 20.172 13.709 ( -9.939 17.553 0.000) 20.172 13.709 ( 9.939 17.553 0.000) 20.172 14.548 ( -19.719 -7.749 0.000) 21.187 14.548 ( -19.719 7.749 0.000) 21.187 14.548 ( 19.719 -7.749 0.000) 21.187 14.548 ( 19.719 7.749 0.000) 21.187 14.850 ( -11.833 -5.294 0.000) 12.963 14.850 ( -11.833 5.294 0.000) 12.963 14.850 ( 11.833 -5.294 0.000) 12.963 14.850 ( 11.833 5.294 0.000) 12.963 17.809 ( -6.479 -6.976 0.000) 9.521 17.809 ( 6.479 -6.976 0.000) 9.521 17.809 ( -6.479 6.976 0.000) 9.521 17.809 ( 6.479 6.976 0.000) 9.521 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.000 0.000 25.580) 25.580 0.538 ( 0.000 0.000 26.894) 26.894 1.102 ( 0.000 0.000 54.861) 54.861 1.787 ( 0.000 0.000 13.414) 13.414 2.788 ( 0.000 0.000 -14.431) 14.431 2.838 ( 0.000 0.000 -6.156) 6.156 2.933 ( 0.000 0.000 -11.485) 11.485 3.051 ( 0.000 0.000 -9.481) 9.481 3.132 ( 0.000 0.000 -2.346) 2.346 3.272 ( 0.000 0.000 1.034) 1.034 3.429 ( 0.000 0.000 12.261) 12.261 3.599 ( 0.000 0.000 -2.049) 2.049 3.658 ( 0.000 0.000 -13.150) 13.150 3.785 ( 0.000 0.000 -0.638) 0.638 4.132 ( 0.000 0.000 7.642) 7.642 4.591 ( 0.000 0.000 1.994) 1.994 4.744 ( 0.000 0.000 -1.568) 1.568 4.829 ( 0.000 0.000 4.256) 4.256 4.979 ( 0.000 0.000 -4.693) 4.693 5.405 ( 0.000 0.000 4.168) 4.168 5.439 ( 0.000 0.000 0.617) 0.617 5.694 ( 0.000 0.000 -0.169) 0.169 6.001 ( 0.000 0.000 12.053) 12.053 6.379 ( 0.000 0.000 -3.339) 3.339 6.590 ( 0.000 0.000 -8.326) 8.326 6.592 ( 0.000 0.000 -11.949) 11.949 6.918 ( 0.000 0.000 -5.877) 5.877 7.350 ( 0.000 0.000 -5.079) 5.079 7.360 ( 0.000 0.000 0.347) 0.347 7.572 ( 0.000 0.000 -18.525) 18.525 8.142 ( 0.000 0.000 -6.102) 6.102 8.179 ( 0.000 0.000 -0.846) 0.846 8.513 ( 0.000 0.000 2.067) 2.067 8.748 ( 0.000 0.000 10.669) 10.669 9.515 ( 0.000 0.000 10.657) 10.657 9.858 ( 0.000 0.000 3.136) 3.136 9.997 ( 0.000 0.000 3.604) 3.604 10.722 ( 0.000 0.000 -1.725) 1.725 10.869 ( 0.000 0.000 1.937) 1.937 11.771 ( 0.000 0.000 7.290) 7.290 11.863 ( 0.000 0.000 -5.904) 5.904 12.031 ( 0.000 0.000 13.935) 13.935 12.047 ( 0.000 0.000 -3.930) 3.930 12.252 ( 0.000 0.000 -6.915) 6.915 12.356 ( 0.000 0.000 11.343) 11.343 12.524 ( 0.000 0.000 -15.045) 15.045 13.026 ( 0.000 0.000 -15.131) 15.131 14.177 ( 0.000 0.000 -1.988) 1.988 14.541 ( 0.000 0.000 11.273) 11.273 14.545 ( 0.000 0.000 0.852) 0.852 14.744 ( 0.000 0.000 -2.656) 2.656 14.935 ( 0.000 0.000 10.133) 10.133 15.102 ( 0.000 0.000 -4.128) 4.128 15.369 ( 0.000 0.000 2.652) 2.652 15.434 ( 0.000 0.000 -2.150) 2.150 15.471 ( 0.000 0.000 -27.617) 27.617 16.710 ( 0.000 0.000 23.346) 23.346 17.798 ( 0.000 0.000 -0.234) 0.234 17.834 ( 0.000 0.000 0.053) 0.053 18.000 ( 0.000 0.000 -1.024) 1.024 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 20.275 0.000 18.517) 27.458 0.829 ( 23.056 0.000 14.263) 27.111 1.631 ( 41.876 0.000 33.528) 53.644 1.843 ( 4.868 0.000 11.921) 12.877 2.612 ( -11.215 0.000 -8.142) 13.859 2.766 ( -5.884 0.000 -7.234) 9.325 2.981 ( -3.217 0.000 -11.069) 11.527 3.075 ( -2.573 0.000 -5.262) 5.858 3.119 ( 0.959 0.000 -4.465) 4.567 3.275 ( 2.981 0.000 -2.796) 4.087 3.501 ( 9.505 0.000 5.090) 10.782 3.556 ( -3.710 0.000 -2.717) 4.599 3.636 ( -2.044 0.000 -11.440) 11.621 3.727 ( -4.302 0.000 -0.694) 4.358 4.284 ( 12.679 0.000 9.584) 15.894 4.387 ( -9.387 0.000 0.563) 9.404 4.533 ( -14.245 0.000 -1.328) 14.306 4.864 ( 1.038 0.000 14.098) 14.136 4.964 ( -1.183 0.000 -4.075) 4.243 5.336 ( -7.522 0.000 2.082) 7.805 5.595 ( 10.537 0.000 -3.398) 11.071 5.753 ( 4.660 0.000 1.685) 4.956 6.129 ( 7.184 0.000 5.975) 9.344 6.212 ( -13.799 0.000 -4.916) 14.649 6.482 ( -9.121 0.000 -8.170) 12.245 6.564 ( -17.388 0.000 15.028) 22.982 6.612 ( 3.805 0.000 -2.846) 4.752 7.040 ( -7.156 0.000 -2.415) 7.553 7.433 ( -12.854 0.000 -8.925) 15.649 7.446 ( 6.415 0.000 0.692) 6.452 8.134 ( 6.472 0.000 1.323) 6.605 8.202 ( 2.550 0.000 -3.985) 4.731 8.633 ( 2.793 0.000 0.205) 2.801 9.443 ( -6.381 0.000 10.974) 12.694 9.478 ( 20.133 0.000 -25.745) 32.683 9.921 ( 5.799 0.000 -12.413) 13.700 10.026 ( 2.818 0.000 3.688) 4.641 10.733 ( 0.935 0.000 -2.055) 2.258 10.881 ( 0.921 0.000 4.595) 4.687 11.780 ( 1.409 0.000 2.571) 2.932 11.799 ( -7.119 0.000 2.602) 7.580 11.896 ( 0.629 0.000 -1.614) 1.733 12.194 ( -3.452 0.000 -7.601) 8.348 12.232 ( 6.990 0.000 13.725) 15.403 12.523 ( -0.397 0.000 -10.243) 10.251 12.597 ( 20.166 0.000 13.442) 24.235 13.094 ( 7.771 0.000 -17.259) 18.928 13.935 ( -19.214 0.000 30.830) 36.328 14.175 ( -1.465 0.000 -6.369) 6.535 14.662 ( -1.546 0.000 15.990) 16.064 14.692 ( -7.518 0.000 -3.501) 8.294 14.816 ( -0.139 0.000 0.554) 0.571 14.888 ( -9.841 0.000 -4.274) 10.730 15.038 ( 2.848 0.000 6.082) 6.715 15.597 ( 4.825 0.000 -16.109) 16.816 16.192 ( 10.900 0.000 -15.491) 18.942 16.774 ( 6.345 0.000 17.677) 18.781 17.807 ( 0.936 0.000 -0.833) 1.253 17.813 ( -2.012 0.000 -0.174) 2.019 18.057 ( 2.093 0.000 -11.157) 11.351 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 22.269 0.000 11.303) 24.973 1.334 ( 22.819 0.000 4.176) 23.198 1.937 ( 1.674 0.000 5.099) 5.367 2.393 ( -7.399 0.000 1.246) 7.503 2.550 ( 38.742 0.000 15.774) 41.830 2.624 ( -7.122 0.000 -5.941) 9.275 2.828 ( -7.487 0.000 -6.236) 9.743 2.948 ( -5.635 0.000 -5.170) 7.648 3.179 ( 2.221 0.000 -6.747) 7.103 3.396 ( 9.431 0.000 -1.833) 9.607 3.403 ( -9.276 0.000 -1.933) 9.475 3.592 ( -1.063 0.000 -7.099) 7.178 3.603 ( -6.528 0.000 2.038) 6.839 3.867 ( 20.503 0.000 -7.760) 21.922 4.139 ( -21.167 0.000 0.320) 21.170 4.278 ( -3.199 0.000 -8.870) 9.429 4.606 ( 16.455 0.000 10.318) 19.422 4.949 ( 0.458 0.000 -2.335) 2.379 4.949 ( 7.773 0.000 14.540) 16.488 5.176 ( -7.213 0.000 0.870) 7.266 5.759 ( 2.033 0.000 -3.452) 4.006 5.853 ( 6.471 0.000 1.643) 6.676 5.866 ( -17.859 0.000 -7.031) 19.193 6.134 ( -6.694 0.000 -0.274) 6.699 6.316 ( -5.433 0.000 -3.698) 6.573 6.363 ( -5.263 0.000 6.495) 8.360 6.824 ( 14.943 0.000 5.241) 15.835 6.853 ( -11.072 0.000 -4.253) 11.861 7.083 ( -19.005 0.000 -5.623) 19.819 7.559 ( 3.218 0.000 1.875) 3.725 8.216 ( 2.762 0.000 -1.857) 3.328 8.353 ( 9.015 0.000 2.234) 9.288 8.703 ( 3.786 0.000 2.433) 4.501 9.271 ( -9.156 0.000 9.278) 13.035 9.597 ( -1.029 0.000 -8.894) 8.954 9.934 ( -6.012 0.000 -19.099) 20.022 10.114 ( 5.407 0.000 3.875) 6.652 10.721 ( -3.354 0.000 1.413) 3.639 10.936 ( 5.468 0.000 3.850) 6.688 11.739 ( 1.502 0.000 1.847) 2.381 11.767 ( -5.237 0.000 -0.792) 5.296 11.946 ( 3.464 0.000 -1.922) 3.962 12.222 ( 9.039 0.000 -11.294) 14.466 12.303 ( -0.265 0.000 13.662) 13.665 12.457 ( -6.159 0.000 -2.423) 6.618 13.135 ( 29.443 0.000 14.862) 32.981 13.414 ( 21.655 0.000 -18.935) 28.766 13.827 ( 3.878 0.000 12.320) 12.915 13.996 ( -17.411 0.000 -19.375) 26.048 14.510 ( -4.182 0.000 6.437) 7.676 14.643 ( 1.417 0.000 20.554) 20.603 14.819 ( -0.087 0.000 -1.346) 1.349 14.871 ( 3.505 0.000 -5.711) 6.701 15.107 ( 2.707 0.000 5.362) 6.006 15.567 ( -7.683 0.000 -3.121) 8.292 16.145 ( -11.207 0.000 -0.038) 11.207 16.970 ( 11.556 0.000 6.575) 13.295 17.747 ( -4.259 0.000 -0.781) 4.330 17.837 ( 1.937 0.000 -2.370) 3.061 18.059 ( -1.385 0.000 -12.394) 12.471 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 9.567 0.000 -3.566) 10.210 1.743 ( 20.808 0.000 6.770) 21.881 1.868 ( -5.859 0.000 -4.704) 7.514 2.384 ( 7.022 0.000 8.356) 10.915 2.444 ( -10.893 0.000 0.618) 10.911 2.762 ( -0.065 0.000 -2.992) 2.992 2.820 ( 0.449 0.000 -2.791) 2.827 3.064 ( 0.396 0.000 -8.433) 8.443 3.195 ( -8.257 0.000 1.807) 8.453 3.213 ( 5.472 0.000 -8.074) 9.754 3.423 ( -10.266 0.000 4.932) 11.389 3.587 ( -1.121 0.000 -2.368) 2.620 3.737 ( -9.828 0.000 1.349) 9.920 3.769 ( 13.231 0.000 5.354) 14.274 4.296 ( 12.808 0.000 -5.284) 13.855 4.328 ( 22.169 0.000 -13.368) 25.888 4.860 ( 4.623 0.000 1.390) 4.828 5.016 ( 0.165 0.000 -1.755) 1.763 5.058 ( 1.113 0.000 3.042) 3.239 5.158 ( 6.934 0.000 6.346) 9.400 5.522 ( -11.114 0.000 -5.414) 12.362 5.652 ( -8.085 0.000 -1.421) 8.208 5.910 ( -13.481 0.000 2.277) 13.672 5.970 ( -1.169 0.000 -4.312) 4.468 6.214 ( -0.600 0.000 1.202) 1.343 6.340 ( 1.492 0.000 3.182) 3.515 6.608 ( -10.776 0.000 -4.644) 11.734 6.706 ( -14.913 0.000 -2.646) 15.146 7.151 ( 14.787 0.000 5.998) 15.957 7.559 ( -3.415 0.000 3.537) 4.916 8.299 ( 5.176 0.000 0.005) 5.176 8.478 ( 1.393 0.000 8.338) 8.454 8.804 ( 6.220 0.000 2.849) 6.841 9.089 ( -7.533 0.000 5.909) 9.574 9.560 ( -1.282 0.000 -7.176) 7.290 9.745 ( -9.753 0.000 -12.306) 15.702 10.251 ( 7.539 0.000 4.124) 8.593 10.598 ( -7.574 0.000 4.263) 8.691 11.107 ( 10.029 0.000 1.058) 10.085 11.579 ( -10.986 0.000 -0.762) 11.013 11.829 ( 6.280 0.000 -1.173) 6.389 12.023 ( 2.911 0.000 -2.597) 3.901 12.236 ( -5.305 0.000 12.895) 13.943 12.313 ( -6.070 0.000 -0.317) 6.079 12.547 ( 19.964 0.000 -14.700) 24.792 13.531 ( -24.354 0.000 -19.685) 31.315 13.774 ( 29.453 0.000 13.631) 32.454 13.863 ( 16.652 0.000 -19.571) 25.697 13.958 ( 6.495 0.000 0.759) 6.539 14.466 ( -2.827 0.000 8.183) 8.658 14.765 ( 10.918 0.000 18.929) 21.852 14.845 ( 2.933 0.000 0.051) 2.934 14.944 ( 3.167 0.000 -4.662) 5.636 15.147 ( 1.981 0.000 5.508) 5.854 15.304 ( -15.977 0.000 3.920) 16.451 15.798 ( -20.672 0.000 8.344) 22.293 17.226 ( 11.952 0.000 0.156) 11.953 17.630 ( -6.863 0.000 -1.505) 7.026 17.887 ( 2.756 0.000 -4.632) 5.390 18.014 ( -2.749 0.000 -10.252) 10.614 ======================= Grid point 67 (25/100) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -2.066 0.000 -5.882) 6.235 1.782 ( 2.066 0.000 -5.882) 6.235 2.146 ( -17.043 0.000 4.150) 17.541 2.146 ( 17.043 0.000 4.150) 17.541 2.632 ( -12.761 0.000 1.873) 12.898 2.632 ( 12.761 0.000 1.873) 12.898 2.922 ( -8.315 0.000 -8.394) 11.815 2.922 ( 8.315 0.000 -8.394) 11.815 3.205 ( -8.624 0.000 5.749) 10.365 3.205 ( 8.624 0.000 5.749) 10.365 3.385 ( -9.987 0.000 -2.701) 10.346 3.385 ( 9.987 0.000 -2.701) 10.346 3.780 ( -6.170 0.000 -0.048) 6.171 3.780 ( 6.170 0.000 -0.048) 6.171 4.754 ( -15.999 0.000 -13.376) 20.854 4.754 ( 15.999 0.000 -13.376) 20.854 4.869 ( -29.950 0.000 1.345) 29.980 4.869 ( 29.950 0.000 1.345) 29.980 5.009 ( -4.745 0.000 0.983) 4.846 5.009 ( 4.745 0.000 0.983) 4.846 5.604 ( -14.062 0.000 4.352) 14.720 5.604 ( 14.062 0.000 4.352) 14.720 5.755 ( -14.104 0.000 -2.693) 14.359 5.755 ( 14.104 0.000 -2.693) 14.359 6.320 ( -6.079 0.000 3.280) 6.907 6.320 ( 6.079 0.000 3.280) 6.907 6.502 ( -3.690 0.000 -4.116) 5.528 6.502 ( 3.690 0.000 -4.116) 5.528 7.416 ( -9.964 0.000 5.059) 11.174 7.416 ( 9.964 0.000 5.059) 11.174 8.420 ( -5.504 0.000 5.568) 7.829 8.420 ( 5.504 0.000 5.568) 7.829 8.947 ( -6.627 0.000 4.353) 7.929 8.947 ( 6.627 0.000 4.353) 7.929 9.586 ( -4.478 0.000 -8.693) 9.778 9.586 ( 4.478 0.000 -8.693) 9.778 10.424 ( -8.561 0.000 4.421) 9.635 10.424 ( 8.561 0.000 4.421) 9.635 11.338 ( -11.543 0.000 -0.083) 11.543 11.338 ( 11.543 0.000 -0.083) 11.543 11.978 ( -6.910 0.000 -2.638) 7.397 11.978 ( 6.910 0.000 -2.638) 7.397 12.209 ( -3.518 0.000 6.569) 7.452 12.209 ( 3.518 0.000 6.569) 7.452 13.016 ( -23.874 0.000 -17.263) 29.462 13.016 ( 23.874 0.000 -17.263) 29.462 14.034 ( -0.836 0.000 -10.028) 10.063 14.034 ( 0.836 0.000 -10.028) 10.063 14.284 ( -16.617 0.000 10.130) 19.462 14.284 ( 16.617 0.000 10.130) 19.462 14.968 ( -3.074 0.000 -0.172) 3.079 14.968 ( 3.074 0.000 -0.172) 3.079 14.985 ( -11.610 0.000 3.522) 12.133 14.985 ( 11.610 0.000 3.522) 12.133 15.340 ( -19.436 0.000 14.086) 24.004 15.340 ( 19.436 0.000 14.086) 24.004 17.456 ( -9.692 0.000 -1.679) 9.836 17.456 ( 9.692 0.000 -1.679) 9.836 17.950 ( -3.116 0.000 -7.412) 8.041 17.950 ( 3.116 0.000 -7.412) 8.041 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.000 16.670 17.709) 24.321 0.829 ( 0.000 23.256 16.512) 28.522 1.481 ( 0.000 30.627 38.051) 48.846 1.869 ( 0.000 5.072 10.164) 11.359 2.494 ( 0.000 -12.550 -2.557) 12.808 2.760 ( 0.000 -14.303 -8.735) 16.760 2.888 ( 0.000 -5.147 -15.501) 16.333 3.211 ( 0.000 -0.612 2.530) 2.603 3.231 ( 0.000 15.074 -9.597) 17.870 3.285 ( 0.000 5.884 -7.121) 9.238 3.441 ( 0.000 -14.557 -7.202) 16.241 3.707 ( 0.000 14.129 7.572) 16.030 3.721 ( 0.000 9.082 -1.031) 9.140 4.092 ( 0.000 21.698 -12.176) 24.881 4.177 ( 0.000 3.332 6.907) 7.669 4.481 ( 0.000 -9.800 -6.024) 11.504 4.529 ( 0.000 -5.866 0.156) 5.868 4.721 ( 0.000 -8.689 6.953) 11.129 5.012 ( 0.000 3.231 -5.588) 6.455 5.321 ( 0.000 -7.016 4.530) 8.352 5.594 ( 0.000 -9.670 1.149) 9.738 5.902 ( 0.000 18.939 -4.731) 19.521 5.994 ( 0.000 -0.624 11.256) 11.273 6.224 ( 0.000 -13.673 -11.620) 17.944 6.501 ( 0.000 10.800 -3.201) 11.265 6.844 ( 0.000 -2.706 -0.883) 2.846 6.887 ( 0.000 -2.861 -6.177) 6.807 7.071 ( 0.000 -3.853 -9.201) 9.975 7.433 ( 0.000 -2.182 -2.418) 3.257 7.543 ( 0.000 -2.657 -17.529) 17.729 8.032 ( 0.000 -4.991 10.661) 11.771 8.168 ( 0.000 -1.151 0.051) 1.152 8.509 ( 0.000 -0.248 1.846) 1.862 8.627 ( 0.000 -5.195 8.138) 9.655 9.516 ( 0.000 0.215 10.265) 10.268 9.769 ( 0.000 -5.317 7.990) 9.597 10.148 ( 0.000 14.026 3.000) 14.343 10.939 ( 0.000 6.497 1.375) 6.641 11.098 ( 0.000 18.007 -19.339) 26.424 11.765 ( 0.000 -7.639 -4.566) 8.899 11.885 ( 0.000 3.893 4.924) 6.277 12.035 ( 0.000 6.908 9.395) 11.661 12.036 ( 0.000 -0.925 -1.615) 1.861 12.302 ( 0.000 4.024 -2.617) 4.800 12.388 ( 0.000 2.810 5.959) 6.588 12.517 ( 0.000 -0.540 -12.188) 12.200 12.947 ( 0.000 -7.012 -12.870) 14.656 14.025 ( 0.000 -14.750 0.183) 14.751 14.161 ( 0.000 -13.839 16.073) 21.210 14.495 ( 0.000 -4.704 -0.630) 4.746 14.758 ( 0.000 0.813 18.167) 18.185 14.922 ( 0.000 -1.169 10.551) 10.616 15.109 ( 0.000 2.153 -3.261) 3.908 15.404 ( 0.000 -2.466 -5.329) 5.872 15.490 ( 0.000 1.649 -24.289) 24.345 15.684 ( 0.000 11.465 -26.862) 29.206 16.729 ( 0.000 2.082 22.784) 22.879 17.520 ( 0.000 -25.262 23.878) 34.761 17.845 ( 0.000 4.005 -0.126) 4.007 17.887 ( 0.000 2.531 1.884) 3.155 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.12 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 18.480 9.705 13.555) 24.888 0.992 ( 12.834 14.788 17.960) 26.569 1.833 ( 16.448 13.070 15.227) 25.946 1.959 ( 18.509 11.511 15.557) 26.779 2.400 ( -6.858 -11.262 0.550) 13.197 2.691 ( -4.878 -9.762 -8.837) 14.042 2.952 ( 2.696 -6.302 -10.941) 12.911 3.117 ( -6.823 2.483 -1.137) 7.349 3.214 ( -2.977 8.979 -8.722) 12.867 3.321 ( 3.071 2.996 -4.159) 5.976 3.426 ( -2.962 -9.800 -4.693) 11.262 3.684 ( -0.976 11.049 2.094) 11.288 3.698 ( 1.939 9.476 -2.069) 9.892 3.984 ( -8.451 19.132 -10.063) 23.210 4.293 ( 5.375 -1.879 6.177) 8.401 4.360 ( -5.620 -1.846 -3.800) 7.030 4.480 ( -3.623 -0.371 0.217) 3.648 4.699 ( 1.037 -8.381 12.250) 14.879 5.011 ( 0.095 4.280 -4.362) 6.112 5.417 ( 5.789 -4.791 3.845) 8.441 5.642 ( 2.030 -7.320 -2.557) 8.015 5.761 ( -4.225 11.513 1.391) 12.342 6.135 ( -6.922 -16.539 -9.215) 20.158 6.163 ( 5.475 4.331 3.716) 7.908 6.304 ( -14.569 0.457 3.233) 14.930 6.457 ( -12.507 -2.035 7.908) 14.937 6.930 ( -4.338 10.063 -3.839) 11.612 6.996 ( -0.633 1.797 -6.016) 6.311 7.330 ( -11.148 -6.693 -4.747) 13.843 7.570 ( 4.027 6.608 -5.367) 9.417 8.091 ( 6.652 -3.729 3.791) 8.516 8.193 ( 2.381 -0.837 -1.722) 3.055 8.625 ( 3.264 -0.610 -0.334) 3.337 9.171 ( 28.744 -21.667 -14.986) 38.991 9.446 ( -6.109 0.442 10.205) 11.902 9.757 ( -1.004 -7.326 5.199) 9.039 10.181 ( 2.973 13.878 2.825) 14.471 10.922 ( -2.014 8.033 2.026) 8.526 11.108 ( 0.563 17.311 -15.654) 23.346 11.722 ( -5.053 -7.789 1.194) 9.361 11.815 ( -0.359 1.551 -2.954) 3.356 11.988 ( -1.060 10.550 2.749) 10.953 12.141 ( 2.438 -3.755 -0.529) 4.509 12.271 ( -0.310 2.816 5.393) 6.092 12.520 ( 0.287 0.050 -9.379) 9.384 12.618 ( 19.176 2.263 12.972) 23.262 13.035 ( 9.473 -5.453 -14.342) 18.032 13.973 ( -9.435 3.150 18.492) 20.998 14.054 ( 1.867 -11.824 -1.729) 12.094 14.545 ( 0.035 -7.455 -2.238) 7.784 14.709 ( -3.595 1.575 17.114) 17.558 14.846 ( -13.776 0.714 -3.828) 14.315 14.898 ( -7.048 0.563 -0.963) 7.136 15.037 ( -1.873 -0.473 2.187) 2.918 15.609 ( 4.429 1.555 -15.035) 15.751 16.132 ( 8.948 -5.529 -14.869) 18.214 16.801 ( 6.940 2.711 16.849) 18.423 17.697 ( 10.981 -21.131 2.258) 23.920 17.846 ( -0.006 3.424 -0.297) 3.437 17.881 ( -0.224 1.337 1.317) 1.890 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 13.907 3.459 13.074) 19.398 1.395 ( 23.141 2.593 8.188) 24.683 1.951 ( 1.775 -0.220 1.576) 2.384 2.175 ( -5.783 -10.788 5.942) 13.606 2.551 ( 2.313 -6.215 -8.715) 10.951 2.669 ( 12.196 1.825 -0.122) 12.333 2.905 ( -1.465 9.225 5.061) 10.624 3.047 ( -2.976 -1.135 -5.703) 6.532 3.183 ( 3.372 3.763 -8.155) 9.594 3.314 ( -2.007 2.254 0.976) 3.172 3.361 ( -2.582 -13.316 -1.614) 13.659 3.595 ( -2.768 10.090 -1.369) 10.552 3.792 ( -6.363 10.502 -1.530) 12.374 3.967 ( 14.216 7.310 -9.927) 18.817 4.097 ( -12.313 -1.018 1.036) 12.398 4.298 ( -1.376 4.384 -8.388) 9.564 4.681 ( 14.987 6.208 8.513) 18.320 4.803 ( 8.933 -6.165 8.494) 13.782 5.035 ( 2.599 7.160 -2.710) 8.085 5.436 ( -3.985 13.197 4.025) 14.361 5.656 ( 0.434 -8.562 -4.363) 9.619 5.804 ( 3.754 -3.538 2.571) 5.764 5.896 ( -13.960 -2.159 -9.177) 16.846 6.046 ( -6.954 -6.962 -1.240) 9.918 6.184 ( -4.602 -6.304 0.213) 7.808 6.335 ( -2.865 -0.788 8.842) 9.328 6.805 ( -9.646 -3.826 -3.488) 10.948 6.993 ( -18.227 -6.951 -3.826) 19.879 7.053 ( 7.852 15.574 1.020) 17.471 7.656 ( 2.583 7.720 0.027) 8.140 8.201 ( 3.198 -2.037 0.855) 3.886 8.305 ( 7.472 -4.234 3.012) 9.101 8.709 ( 4.628 1.017 0.245) 4.745 9.279 ( -8.684 0.842 8.428) 12.130 9.488 ( 4.093 -11.567 -13.506) 18.247 9.726 ( -2.601 -12.147 -3.379) 12.874 10.264 ( 4.793 13.486 2.882) 14.600 10.846 ( -5.005 9.863 3.653) 11.648 11.127 ( 2.084 14.468 -7.017) 16.214 11.670 ( 0.326 -5.425 1.112) 5.547 11.814 ( -2.144 0.851 -4.176) 4.771 11.962 ( -0.820 2.885 1.626) 3.411 12.165 ( 2.042 -4.509 -7.508) 8.992 12.277 ( -1.912 -3.375 10.866) 11.538 12.522 ( 2.296 7.198 -5.579) 9.392 13.139 ( 28.663 0.758 14.518) 32.140 13.394 ( 23.646 -2.135 -14.401) 27.768 13.863 ( -5.142 2.600 2.263) 6.191 14.044 ( -3.328 3.052 -7.953) 9.145 14.409 ( -6.851 -7.665 2.682) 10.625 14.621 ( -1.192 -3.762 10.302) 11.032 14.766 ( 0.736 -2.955 8.572) 9.097 14.830 ( 1.166 -3.921 -7.718) 8.735 15.076 ( 2.195 -2.839 5.915) 6.918 15.565 ( -8.649 0.328 -1.976) 8.878 16.077 ( -11.093 -6.223 0.023) 12.719 17.011 ( 12.184 4.002 5.799) 14.075 17.780 ( -2.778 1.908 -2.098) 3.970 17.871 ( 1.923 1.101 -2.897) 3.647 17.910 ( 2.883 -9.827 -5.984) 11.861 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.38 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 8.490 -7.772 6.841) 13.389 1.775 ( 1.817 0.655 0.439) 1.981 1.933 ( 9.375 -6.021 0.427) 11.150 2.181 ( 4.298 -2.803 7.069) 8.735 2.542 ( 0.777 -0.134 -3.389) 3.479 2.706 ( -1.205 -5.386 -3.680) 6.634 2.844 ( -5.148 1.946 -4.728) 7.256 3.027 ( -4.452 -5.264 -6.414) 9.416 3.126 ( -5.744 -2.939 0.694) 6.489 3.245 ( -1.512 -4.540 -2.286) 5.304 3.309 ( -7.315 -4.621 -0.852) 8.694 3.594 ( -12.163 -0.321 0.869) 12.198 3.821 ( 11.756 10.991 2.478) 16.284 3.937 ( 4.067 16.823 3.585) 17.675 4.347 ( 17.441 4.742 -7.177) 19.447 4.425 ( 19.170 9.412 -11.896) 24.446 4.930 ( 7.690 4.282 4.390) 9.836 5.015 ( 6.421 0.716 -3.675) 7.433 5.149 ( 6.826 8.709 0.788) 11.094 5.349 ( -3.793 13.745 0.200) 14.260 5.478 ( -13.092 -5.202 -8.305) 16.353 5.591 ( -13.961 -2.837 -0.421) 14.252 5.860 ( -4.188 -2.666 2.182) 5.423 5.994 ( 2.997 -2.166 -1.240) 3.900 6.120 ( -1.242 -7.729 5.111) 9.349 6.267 ( -1.085 -5.334 3.994) 6.751 6.563 ( -11.774 -4.211 -4.143) 13.173 6.601 ( -16.603 -9.136 -0.851) 18.970 7.292 ( 12.280 12.142 4.622) 17.877 7.651 ( -3.228 8.021 2.621) 9.035 8.277 ( 4.401 -2.413 1.282) 5.180 8.414 ( 1.675 -6.003 8.503) 10.543 8.823 ( 6.262 2.108 0.972) 6.679 9.104 ( -7.423 1.636 5.201) 9.210 9.500 ( -0.594 -5.939 -8.336) 10.253 9.627 ( -6.070 -9.536 -7.918) 13.801 10.387 ( 6.934 12.723 3.693) 14.953 10.716 ( -7.286 10.871 4.608) 13.875 11.222 ( 6.928 9.786 -2.709) 12.292 11.605 ( -8.527 1.636 -2.141) 8.942 11.805 ( 4.685 -2.610 -1.627) 5.605 12.001 ( 3.072 -2.337 -0.781) 3.938 12.157 ( -7.730 -7.404 9.140) 14.075 12.171 ( -1.994 -9.003 -2.887) 9.662 12.718 ( 15.380 12.856 -9.547) 22.203 13.549 ( -19.374 2.260 -12.884) 23.377 13.758 ( 25.188 0.264 5.860) 25.862 13.910 ( 21.737 2.978 -13.241) 25.626 14.056 ( 3.338 7.870 -1.680) 8.712 14.370 ( 0.383 -9.626 7.164) 12.005 14.665 ( 4.812 -11.160 6.772) 13.913 14.798 ( 3.856 -2.014 7.378) 8.566 14.892 ( 3.517 -4.912 -2.096) 6.395 15.109 ( 1.450 -3.280 5.909) 6.912 15.279 ( -16.824 -1.473 5.332) 17.710 15.735 ( -20.331 -5.841 8.411) 22.764 17.276 ( 12.227 4.782 -0.204) 13.131 17.679 ( -6.487 4.323 -1.644) 7.967 17.906 ( 1.585 1.327 -4.233) 4.711 17.946 ( 0.387 -6.062 -8.511) 10.456 ======================= Grid point 76 (30/100) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -5.792 -8.528 1.116) 10.369 1.664 ( 5.792 -8.528 1.116) 10.369 2.192 ( -6.995 0.533 1.916) 7.273 2.192 ( 6.995 0.533 1.916) 7.273 2.609 ( -6.738 -0.559 -0.425) 6.775 2.609 ( 6.738 -0.559 -0.425) 6.775 2.869 ( -6.930 -6.318 -6.915) 11.651 2.869 ( 6.930 -6.318 -6.915) 11.651 3.117 ( -6.744 -6.254 3.527) 9.850 3.117 ( 6.744 -6.254 3.527) 9.850 3.360 ( -8.958 -1.381 -1.527) 9.191 3.360 ( 8.958 -1.381 -1.527) 9.191 3.941 ( -3.969 15.203 -0.433) 15.718 3.941 ( 3.969 15.203 -0.433) 15.718 4.825 ( -9.697 6.537 -12.201) 16.901 4.825 ( 9.697 6.537 -12.201) 16.901 4.966 ( -20.838 8.982 1.165) 22.721 4.966 ( 20.838 8.982 1.165) 22.721 5.110 ( -3.047 5.235 -5.153) 7.953 5.110 ( 3.047 5.235 -5.153) 7.953 5.452 ( -3.640 -6.693 -0.378) 7.628 5.452 ( 3.640 -6.693 -0.378) 7.628 5.872 ( -7.716 5.642 6.009) 11.290 5.872 ( 7.716 5.642 6.009) 11.290 6.248 ( -7.422 -7.318 5.086) 11.598 6.248 ( 7.422 -7.318 5.086) 11.598 6.389 ( -2.809 -9.633 -4.450) 10.977 6.389 ( 2.809 -9.633 -4.450) 10.977 7.522 ( -8.862 9.362 4.297) 13.589 7.522 ( 8.862 9.362 4.297) 13.589 8.376 ( -4.264 -4.395 5.981) 8.560 8.376 ( 4.264 -4.395 5.981) 8.560 8.962 ( -6.561 1.809 3.048) 7.457 8.962 ( 6.561 1.809 3.048) 7.457 9.520 ( -3.161 -6.052 -7.866) 10.416 9.520 ( 3.161 -6.052 -7.866) 10.416 10.549 ( -8.143 11.832 4.354) 15.008 10.549 ( 8.143 11.832 4.354) 15.008 11.402 ( -9.651 5.685 -1.922) 11.365 11.402 ( 9.651 5.685 -1.922) 11.365 11.949 ( -7.770 -3.676 -2.377) 8.918 11.949 ( 7.770 -3.676 -2.377) 8.918 12.109 ( -3.257 -8.246 4.567) 9.973 12.109 ( 3.257 -8.246 4.567) 9.973 13.107 ( -20.607 8.430 -13.178) 25.872 13.107 ( 20.607 8.430 -13.178) 25.872 14.064 ( -3.604 2.652 -7.912) 9.090 14.064 ( 3.604 2.652 -7.912) 9.090 14.295 ( -11.085 0.196 5.319) 12.297 14.295 ( 11.085 0.196 5.319) 12.297 14.811 ( -8.291 -12.251 1.379) 14.857 14.811 ( 8.291 -12.251 1.379) 14.857 14.981 ( -5.594 -1.579 3.338) 6.703 14.981 ( 5.594 -1.579 3.338) 6.703 15.294 ( -17.941 -4.394 14.036) 23.200 15.294 ( 17.941 -4.394 14.036) 23.200 17.509 ( -9.638 4.851 -1.791) 10.938 17.509 ( 9.638 4.851 -1.791) 10.938 17.936 ( -1.153 -1.543 -6.625) 6.899 17.936 ( 1.153 -1.543 -6.625) 6.899 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.000 20.908 7.640) 22.260 1.353 ( 0.000 26.402 8.499) 27.736 1.849 ( 0.000 -8.086 3.464) 8.796 2.074 ( 0.000 20.335 20.023) 28.539 2.314 ( 0.000 -5.641 -0.445) 5.659 2.406 ( 0.000 -19.097 -3.361) 19.391 2.896 ( 0.000 7.116 -9.088) 11.543 3.085 ( 0.000 -8.471 -7.139) 11.078 3.241 ( 0.000 3.463 2.074) 4.037 3.464 ( 0.000 5.251 -8.083) 9.639 3.544 ( 0.000 12.258 -5.065) 13.263 3.857 ( 0.000 2.960 -0.323) 2.977 3.940 ( 0.000 7.629 3.156) 8.257 4.138 ( 0.000 -10.244 -0.665) 10.266 4.201 ( 0.000 -3.699 7.923) 8.744 4.485 ( 0.000 4.174 6.002) 7.310 4.522 ( 0.000 -8.871 8.208) 12.086 4.608 ( 0.000 13.421 -23.451) 27.020 5.075 ( 0.000 0.324 -8.095) 8.101 5.245 ( 0.000 4.324 2.491) 4.990 5.319 ( 0.000 -15.746 2.548) 15.951 5.767 ( 0.000 -16.123 -2.503) 16.316 5.989 ( 0.000 0.883 10.961) 10.996 6.234 ( 0.000 -2.849 8.398) 8.869 6.644 ( 0.000 -2.766 -10.042) 10.416 6.766 ( 0.000 13.611 -3.177) 13.977 6.812 ( 0.000 -3.717 -7.176) 8.081 7.214 ( 0.000 7.168 -13.554) 15.333 7.308 ( 0.000 -8.214 -3.434) 8.903 7.472 ( 0.000 -4.119 -15.504) 16.042 8.010 ( 0.000 1.921 11.674) 11.831 8.132 ( 0.000 -2.414 2.672) 3.601 8.508 ( 0.000 0.252 1.346) 1.369 8.558 ( 0.000 -2.309 2.395) 3.327 9.531 ( 0.000 1.411 9.621) 9.724 9.663 ( 0.000 -4.889 8.689) 9.970 10.523 ( 0.000 21.502 1.574) 21.560 11.104 ( 0.000 8.722 -0.383) 8.731 11.264 ( 0.000 -1.011 -10.459) 10.508 11.479 ( 0.000 -16.945 0.415) 16.950 11.948 ( 0.000 2.672 -3.060) 4.063 12.016 ( 0.000 -0.944 1.597) 1.855 12.340 ( 0.000 10.170 6.623) 12.137 12.438 ( 0.000 0.779 -11.326) 11.352 12.443 ( 0.000 18.325 -1.297) 18.371 12.528 ( 0.000 2.788 1.415) 3.127 12.787 ( 0.000 -7.611 -7.631) 10.777 13.596 ( 0.000 -26.180 3.076) 26.360 14.084 ( 0.000 3.149 3.901) 5.014 14.366 ( 0.000 -7.486 -2.864) 8.015 14.785 ( 0.000 1.906 19.172) 19.267 14.888 ( 0.000 -2.255 13.396) 13.585 15.174 ( 0.000 3.916 -3.394) 5.182 15.341 ( 0.000 -3.595 -4.363) 5.653 15.549 ( 0.000 4.282 -25.488) 25.845 15.755 ( 0.000 -2.320 -28.637) 28.731 16.800 ( 0.000 4.880 21.899) 22.436 17.141 ( 0.000 -13.191 24.495) 27.821 17.930 ( 0.000 3.624 0.084) 3.625 17.948 ( 0.000 2.593 0.849) 2.729 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.12 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 7.629 15.844 8.266) 19.431 1.387 ( 3.357 21.724 12.906) 25.491 1.849 ( 0.063 -8.448 3.154) 9.018 2.163 ( -4.676 -5.531 10.166) 12.482 2.325 ( 10.650 4.477 0.727) 11.576 2.462 ( 4.057 -9.540 -5.534) 11.752 2.881 ( -1.284 0.323 -7.572) 7.687 3.091 ( 0.510 -5.221 -5.557) 7.642 3.206 ( -1.887 7.794 4.075) 8.995 3.443 ( -3.608 9.938 -8.765) 13.733 3.572 ( 2.364 8.727 -3.855) 9.829 3.851 ( 0.764 5.264 -1.266) 5.468 3.876 ( -6.242 4.939 1.321) 8.069 4.096 ( -2.700 -6.301 -0.299) 6.862 4.179 ( -3.909 -5.312 5.359) 8.498 4.381 ( -2.715 -3.035 -4.734) 6.245 4.570 ( 7.223 6.209 4.625) 10.588 4.699 ( 4.777 11.340 -3.860) 12.897 5.129 ( 2.943 5.574 -7.377) 9.703 5.304 ( 5.925 -1.508 2.518) 6.612 5.389 ( 5.523 -14.769 1.805) 15.870 5.749 ( -1.610 -15.157 -3.932) 15.741 5.884 ( -7.413 -1.404 4.519) 8.795 6.135 ( -13.310 -11.712 11.150) 20.944 6.395 ( -4.946 13.930 -5.069) 15.627 6.623 ( -12.365 12.101 -2.937) 17.548 6.849 ( -3.710 -6.687 -4.532) 8.889 7.145 ( -11.703 -9.627 -4.295) 15.751 7.268 ( 3.139 12.121 -7.249) 14.468 7.631 ( 9.537 -2.264 -11.248) 14.920 8.037 ( 3.191 0.216 10.246) 10.734 8.162 ( 2.395 -2.440 2.831) 4.440 8.624 ( 5.941 0.936 -2.000) 6.338 8.830 ( 21.336 -11.232 -5.666) 24.769 9.469 ( -5.451 1.922 9.087) 10.770 9.629 ( -3.119 -5.645 6.863) 9.418 10.553 ( 2.650 21.321 1.395) 21.531 11.105 ( -0.214 9.131 0.967) 9.185 11.301 ( 2.963 0.466 -10.185) 10.618 11.474 ( -0.241 -14.562 0.757) 14.583 11.873 ( -4.378 4.329 -5.577) 8.307 12.061 ( 1.370 -3.976 0.291) 4.215 12.232 ( -7.473 8.615 -1.822) 11.550 12.333 ( -5.324 2.213 -1.336) 5.919 12.586 ( 6.171 8.878 -3.280) 11.298 12.708 ( 17.535 8.200 8.925) 21.316 12.902 ( 12.041 -6.589 -6.210) 15.065 13.657 ( 5.125 -24.528 1.954) 25.134 14.092 ( 0.925 6.797 4.104) 7.994 14.397 ( 1.483 -7.206 -4.147) 8.445 14.760 ( -2.163 3.173 18.863) 19.250 14.865 ( -17.080 0.836 -4.218) 17.613 14.889 ( -8.614 -0.589 3.004) 9.142 15.005 ( -10.000 -2.706 -3.800) 11.034 15.675 ( 3.929 5.041 -13.495) 14.932 15.984 ( 5.885 -8.413 -13.730) 17.144 16.890 ( 8.519 6.044 15.180) 18.426 17.303 ( 13.400 -15.519 11.500) 23.509 17.923 ( -0.886 3.447 0.062) 3.560 17.942 ( -0.367 2.733 0.138) 2.761 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 7.740 6.685 15.008) 18.161 1.498 ( 10.056 9.888 6.538) 15.545 1.839 ( -2.236 -8.149 1.665) 8.613 2.039 ( -3.582 -7.305 10.488) 13.274 2.417 ( 1.441 -5.539 -4.454) 7.252 2.599 ( 3.504 -8.297 -9.776) 13.292 2.835 ( -3.471 -8.501 -3.251) 9.741 2.999 ( -5.965 -6.516 -4.217) 9.789 3.275 ( -5.639 12.559 -2.689) 14.027 3.357 ( -0.193 9.660 -3.088) 10.143 3.544 ( -3.829 9.969 -0.681) 10.701 3.714 ( -2.543 1.039 0.760) 2.850 3.909 ( -5.907 2.212 -0.383) 6.319 4.060 ( 12.282 3.491 -7.204) 14.661 4.176 ( 5.644 6.806 4.482) 9.913 4.483 ( 9.037 6.906 -10.539) 15.505 4.740 ( 5.773 3.655 9.624) 11.803 4.854 ( 12.567 8.448 0.054) 15.143 5.208 ( 5.174 8.503 -5.909) 11.575 5.423 ( 2.902 -8.020 0.218) 8.532 5.508 ( 4.888 -8.046 0.969) 9.464 5.681 ( -4.422 -13.020 -6.365) 15.152 5.783 ( -1.315 -0.797 4.409) 4.669 5.906 ( -5.918 -7.939 2.068) 10.116 6.228 ( -14.853 8.999 -2.499) 17.545 6.384 ( -8.343 5.597 3.193) 10.542 6.694 ( -10.712 -6.828 -2.358) 12.920 6.807 ( -18.469 -9.975 -0.601) 21.000 7.389 ( 7.968 15.954 -0.662) 17.845 7.792 ( 5.256 2.940 -4.262) 7.378 8.115 ( 3.344 -4.568 8.658) 10.344 8.218 ( 2.766 -4.094 4.639) 6.778 8.766 ( 6.945 5.021 -4.387) 9.628 9.175 ( 9.739 -14.301 -10.529) 20.254 9.329 ( -6.758 2.499 6.207) 9.510 9.542 ( -4.760 -7.167 3.069) 9.135 10.627 ( 4.276 20.851 1.340) 21.327 11.081 ( -2.253 11.830 3.110) 12.438 11.361 ( 2.428 4.984 -9.427) 10.936 11.486 ( 1.667 -11.962 1.021) 12.121 11.808 ( -1.807 0.869 -3.464) 4.002 12.033 ( -5.217 -1.610 -1.232) 5.597 12.071 ( -5.297 -0.712 -3.014) 6.136 12.187 ( -8.399 -4.336 0.887) 9.494 12.772 ( 11.094 17.044 -4.827) 20.901 13.185 ( 26.808 4.263 12.616) 29.934 13.317 ( 26.179 -5.531 -5.012) 27.222 13.766 ( 3.634 -16.513 -1.672) 16.991 14.093 ( -2.493 5.390 5.940) 8.400 14.355 ( -4.557 1.600 -9.855) 10.974 14.490 ( -13.462 -5.699 -2.122) 14.771 14.703 ( -0.050 -6.415 -3.753) 7.432 14.784 ( -0.370 2.521 11.108) 11.397 14.994 ( 1.384 -5.165 7.728) 9.397 15.608 ( -10.004 4.251 -0.374) 10.876 15.915 ( -10.874 -8.982 0.195) 14.105 17.133 ( 13.389 7.838 4.044) 16.033 17.587 ( 11.688 -13.992 -2.579) 18.413 17.884 ( -2.943 3.860 -0.357) 4.867 17.936 ( -0.311 1.955 -1.444) 2.451 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 2.163 3.781 12.781) 13.503 1.691 ( -5.403 -5.821 4.932) 9.349 1.825 ( 12.214 -1.949 2.694) 12.659 2.052 ( 2.633 -14.315 6.973) 16.139 2.495 ( 6.195 -3.848 -2.184) 7.612 2.612 ( -0.321 -6.643 -7.423) 9.967 2.741 ( -4.297 -6.869 -1.058) 8.171 2.862 ( -9.038 -5.087 -5.326) 11.659 3.143 ( -2.735 3.864 -1.668) 5.020 3.231 ( -8.572 7.845 0.934) 11.657 3.339 ( -9.022 0.528 -4.535) 10.111 3.559 ( -12.100 -3.398 1.047) 12.611 4.107 ( 13.585 14.335 -3.972) 20.145 4.319 ( 4.812 14.739 -6.144) 16.678 4.483 ( 27.069 10.887 -1.090) 29.197 4.680 ( 10.950 13.386 -11.872) 20.977 4.904 ( 9.741 -4.805 3.553) 11.428 5.103 ( 7.685 1.780 -3.473) 8.619 5.323 ( -5.233 -2.272 -8.188) 9.980 5.355 ( 1.495 8.864 -6.100) 10.863 5.534 ( -2.323 1.542 0.569) 2.846 5.637 ( -6.376 1.745 -1.214) 6.721 5.785 ( -0.748 -4.565 4.097) 6.179 5.849 ( 1.841 -4.744 5.992) 7.861 5.984 ( -0.336 -5.944 -1.222) 6.078 6.189 ( -9.705 -2.512 5.562) 11.465 6.367 ( -18.424 -10.466 4.075) 21.577 6.465 ( -14.110 -6.074 -0.710) 15.378 7.582 ( 9.446 15.038 3.614) 18.123 7.839 ( -0.980 9.074 1.551) 9.258 8.177 ( 2.898 -7.786 5.202) 9.802 8.260 ( 0.607 -8.007 7.765) 11.171 8.906 ( 6.329 6.274 -3.102) 9.437 9.162 ( -6.217 3.801 2.842) 7.822 9.316 ( 2.440 -10.891 -8.979) 14.325 9.440 ( -4.612 -8.172 -1.429) 9.492 10.735 ( 6.016 20.146 2.307) 21.151 11.005 ( -5.069 16.206 4.218) 17.496 11.420 ( 3.550 6.385 -6.579) 9.831 11.533 ( 1.826 -11.070 -1.347) 11.300 11.767 ( -2.118 0.475 -3.175) 3.846 11.915 ( -3.957 -5.023 7.585) 9.921 11.998 ( -4.983 -5.836 -8.797) 11.673 12.013 ( -4.749 -6.839 1.493) 8.459 13.038 ( 13.888 18.577 -5.475) 23.832 13.642 ( -6.884 6.614 -2.506) 9.870 13.788 ( 19.397 -0.022 0.615) 19.407 13.916 ( 24.527 -4.319 -7.689) 26.064 14.078 ( 6.341 -10.001 7.071) 13.793 14.235 ( -5.091 -0.382 -3.175) 6.012 14.400 ( 1.788 -7.143 -4.521) 8.641 14.718 ( -0.668 -8.042 -7.332) 10.904 14.825 ( 4.578 1.170 13.330) 14.143 15.019 ( 1.683 -5.512 7.684) 9.605 15.292 ( -18.433 3.407 7.391) 20.150 15.581 ( -19.580 -8.524 8.585) 23.016 17.410 ( 12.265 8.049 -1.197) 14.719 17.763 ( 2.051 -2.567 -4.922) 5.918 17.808 ( -1.153 -0.910 -2.384) 2.800 17.923 ( -1.131 -0.258 -3.202) 3.406 ======================= Grid point 85 (35/100) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -5.409 -0.083 8.052) 9.701 1.552 ( 5.409 -0.083 8.052) 9.701 2.046 ( -5.381 -14.889 3.788) 16.279 2.046 ( 5.381 -14.889 3.788) 16.279 2.613 ( -1.451 -0.381 -5.401) 5.606 2.613 ( 1.451 -0.381 -5.401) 5.606 2.697 ( -2.469 -6.378 -1.285) 6.959 2.697 ( 2.469 -6.378 -1.285) 6.959 3.106 ( -1.186 5.204 0.599) 5.371 3.106 ( 1.186 5.204 0.599) 5.371 3.339 ( -7.573 -2.066 -0.485) 7.865 3.339 ( 7.573 -2.066 -0.485) 7.865 4.302 ( -5.524 18.313 -6.026) 20.055 4.302 ( 5.524 18.313 -6.026) 20.055 4.957 ( -9.613 -9.246 -15.295) 20.294 4.957 ( 9.613 -9.246 -15.295) 20.294 5.052 ( -10.446 10.262 -7.441) 16.425 5.052 ( 10.446 10.262 -7.441) 16.425 5.232 ( -12.238 12.411 4.149) 17.916 5.232 ( 12.238 12.411 4.149) 17.916 5.480 ( -3.942 4.749 -4.948) 7.910 5.480 ( 3.942 4.749 -4.948) 7.910 5.942 ( -8.586 0.837 11.902) 14.699 5.942 ( 8.586 0.837 11.902) 14.699 6.004 ( -11.164 -14.647 6.519) 19.537 6.004 ( 11.164 -14.647 6.519) 19.537 6.191 ( -10.165 -8.591 -2.239) 13.496 6.191 ( 10.165 -8.591 -2.239) 13.496 7.756 ( -6.530 12.735 4.283) 14.939 7.756 ( 6.530 12.735 4.283) 14.939 8.237 ( -2.436 -9.106 6.292) 11.333 8.237 ( 2.436 -9.106 6.292) 11.333 9.035 ( -5.929 5.466 0.073) 8.064 9.035 ( 5.929 5.466 0.073) 8.064 9.362 ( -2.656 -8.860 -5.819) 10.928 9.362 ( 2.656 -8.860 -5.819) 10.928 10.875 ( -6.875 18.939 3.707) 20.486 10.875 ( 6.875 18.939 3.707) 20.486 11.507 ( -4.004 0.492 -4.619) 6.132 11.507 ( 4.004 0.492 -4.619) 6.132 11.798 ( -5.432 -7.347 2.037) 9.361 11.798 ( 5.432 -7.347 2.037) 9.361 11.963 ( -1.427 -5.931 -2.072) 6.442 11.963 ( 1.427 -5.931 -2.072) 6.442 13.348 ( -15.316 15.039 -6.268) 22.362 13.348 ( 15.316 15.039 -6.268) 22.362 14.052 ( -5.652 -9.452 0.783) 11.040 14.052 ( 5.652 -9.452 0.783) 11.040 14.283 ( -5.168 2.141 -8.798) 10.426 14.283 ( 5.168 2.141 -8.798) 10.426 14.569 ( -15.615 -9.329 -1.519) 18.253 14.569 ( 15.615 -9.329 -1.519) 18.253 14.963 ( -8.954 0.954 8.856) 12.630 14.963 ( 8.954 0.954 8.856) 12.630 15.174 ( -15.502 -6.852 13.827) 21.873 15.174 ( 15.502 -6.852 13.827) 21.873 17.635 ( -8.918 7.007 -2.266) 11.566 17.635 ( 8.918 7.007 -2.266) 11.566 17.881 ( -3.025 -3.940 -4.922) 6.993 17.881 ( 3.025 -3.940 -4.922) 6.993 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 -17.766 2.004) 17.879 1.534 ( 0.000 17.766 2.004) 17.879 1.909 ( 0.000 -23.653 7.081) 24.690 1.909 ( 0.000 23.653 7.081) 24.690 2.276 ( 0.000 -0.601 -0.641) 0.879 2.276 ( 0.000 0.601 -0.641) 0.879 3.041 ( 0.000 -3.151 -6.028) 6.802 3.041 ( 0.000 3.151 -6.028) 6.802 3.389 ( 0.000 -10.251 2.281) 10.502 3.389 ( 0.000 10.251 2.281) 10.502 3.805 ( 0.000 -11.265 -4.688) 12.202 3.805 ( 0.000 11.265 -4.688) 12.202 3.961 ( 0.000 -0.105 -1.517) 1.521 3.961 ( 0.000 0.105 -1.517) 1.521 4.285 ( 0.000 -10.043 11.869) 15.548 4.285 ( 0.000 10.043 11.869) 15.548 4.689 ( 0.000 -7.417 -4.801) 8.835 4.689 ( 0.000 7.417 -4.801) 8.835 5.085 ( 0.000 -3.930 -6.685) 7.755 5.085 ( 0.000 3.930 -6.685) 7.755 5.458 ( 0.000 -13.739 -1.640) 13.837 5.458 ( 0.000 13.739 -1.640) 13.837 6.070 ( 0.000 -7.655 13.431) 15.459 6.070 ( 0.000 7.655 13.431) 15.459 6.711 ( 0.000 -5.256 -10.781) 11.994 6.711 ( 0.000 5.256 -10.781) 11.994 7.055 ( 0.000 -13.318 -2.775) 13.604 7.055 ( 0.000 13.318 -2.775) 13.604 7.373 ( 0.000 -5.733 -14.040) 15.165 7.373 ( 0.000 5.733 -14.040) 15.165 8.071 ( 0.000 -3.354 6.860) 7.636 8.071 ( 0.000 3.354 6.860) 7.636 8.522 ( 0.000 -1.188 1.090) 1.613 8.522 ( 0.000 1.188 1.090) 1.613 9.578 ( 0.000 -3.262 9.096) 9.663 9.578 ( 0.000 3.262 9.096) 9.663 10.982 ( 0.000 -22.057 -0.446) 22.061 10.982 ( 0.000 22.057 -0.446) 22.061 11.265 ( 0.000 -6.737 -2.798) 7.295 11.265 ( 0.000 6.737 -2.798) 7.295 11.993 ( 0.000 -1.576 0.950) 1.841 11.993 ( 0.000 1.576 0.950) 1.841 12.420 ( 0.000 -1.959 -8.495) 8.718 12.420 ( 0.000 1.959 -8.495) 8.718 12.626 ( 0.000 -5.976 -1.645) 6.198 12.626 ( 0.000 5.976 -1.645) 6.198 13.010 ( 0.000 -29.503 4.577) 29.856 13.010 ( 0.000 29.503 4.577) 29.856 14.206 ( 0.000 -7.664 -2.406) 8.033 14.206 ( 0.000 7.664 -2.406) 8.033 14.834 ( 0.000 -2.734 16.900) 17.119 14.834 ( 0.000 2.734 16.900) 17.119 15.260 ( 0.000 -4.262 -3.584) 5.569 15.260 ( 0.000 4.262 -3.584) 5.569 15.658 ( 0.000 -5.916 -26.949) 27.591 15.658 ( 0.000 5.916 -26.949) 27.591 16.931 ( 0.000 -8.015 22.133) 23.540 16.931 ( 0.000 8.015 22.133) 23.540 17.973 ( 0.000 -0.387 0.373) 0.537 17.973 ( 0.000 0.387 0.373) 0.537 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.760 -15.735 2.285) 15.918 1.537 ( 0.760 15.735 2.285) 15.918 1.869 ( -2.413 -19.432 12.337) 23.143 1.869 ( -2.413 19.432 12.337) 23.143 2.347 ( 4.178 -3.966 -5.779) 8.160 2.347 ( 4.178 3.966 -5.779) 8.160 2.983 ( -5.511 -7.290 -6.884) 11.442 2.983 ( -5.511 7.290 -6.884) 11.442 3.472 ( 7.529 -11.128 -0.167) 13.437 3.472 ( 7.529 11.128 -0.167) 13.437 3.752 ( -4.646 -11.306 -2.355) 12.448 3.752 ( -4.646 11.306 -2.355) 12.448 3.977 ( -1.189 -5.964 -0.467) 6.099 3.977 ( -1.189 5.964 -0.467) 6.099 4.209 ( -0.961 -8.375 8.747) 12.148 4.209 ( -0.961 8.375 8.747) 12.148 4.776 ( 6.924 -8.214 -4.977) 11.840 4.776 ( 6.924 8.214 -4.977) 11.840 5.178 ( 6.952 -3.356 -4.053) 8.719 5.178 ( 6.952 3.356 -4.053) 8.719 5.450 ( -0.497 -12.811 -2.530) 13.068 5.450 ( -0.497 12.811 -2.530) 13.068 5.930 ( -9.849 -6.746 9.969) 15.553 5.930 ( -9.849 6.746 9.969) 15.553 6.646 ( -5.992 -10.058 -6.571) 13.426 6.646 ( -5.992 10.058 -6.571) 13.426 6.910 ( -11.847 -12.227 -2.187) 17.165 6.910 ( -11.847 12.227 -2.187) 17.165 7.496 ( 8.614 -9.582 -9.556) 16.042 7.496 ( 8.614 9.582 -9.556) 16.042 8.094 ( 1.878 -3.887 7.685) 8.815 8.094 ( 1.878 3.887 7.685) 8.815 8.677 ( 12.070 -4.590 -3.742) 13.445 8.677 ( 12.070 4.590 -3.742) 13.445 9.529 ( -4.366 -3.970 7.868) 9.835 9.529 ( -4.366 3.970 7.868) 9.835 11.002 ( 1.857 -21.063 -1.032) 21.170 11.002 ( 1.857 21.063 -1.032) 21.170 11.297 ( 2.674 -6.299 -1.031) 6.921 11.297 ( 2.674 6.299 -1.031) 6.921 11.972 ( -2.374 -4.827 -2.514) 5.938 11.972 ( -2.374 4.827 -2.514) 5.938 12.324 ( -8.106 -2.339 -6.254) 10.502 12.324 ( -8.106 2.339 -6.254) 10.502 12.751 ( 12.735 -6.434 1.067) 14.308 12.751 ( 12.735 6.434 1.067) 14.308 13.114 ( 8.812 -26.347 3.944) 28.060 13.114 ( 8.812 26.347 3.944) 28.060 14.244 ( 2.927 -7.745 -2.745) 8.722 14.244 ( 2.927 7.745 -2.745) 8.722 14.826 ( -3.995 -3.045 14.913) 15.736 14.826 ( -3.995 3.045 14.913) 15.736 14.937 ( -16.619 -3.563 -8.091) 18.824 14.937 ( -16.619 3.563 -8.091) 18.824 15.811 ( 4.229 -7.999 -13.078) 15.903 15.811 ( 4.229 7.999 -13.078) 15.903 17.050 ( 10.819 -9.787 13.616) 19.955 17.050 ( 10.819 9.787 13.616) 19.955 17.967 ( -0.646 -0.515 0.028) 0.826 17.967 ( -0.646 0.515 0.028) 0.826 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 3.067 -8.885 4.013) 10.220 1.579 ( 3.067 8.885 4.013) 10.220 1.824 ( -2.117 -12.037 13.380) 18.122 1.824 ( -2.117 12.037 13.380) 18.122 2.399 ( 1.284 -6.000 -4.419) 7.562 2.399 ( 1.284 6.000 -4.419) 7.562 2.858 ( -5.076 -6.408 -6.826) 10.650 2.858 ( -5.076 6.408 -6.826) 10.650 3.464 ( -9.625 -5.130 -8.033) 13.546 3.464 ( -9.625 5.130 -8.033) 13.546 3.665 ( -8.165 -6.152 0.963) 10.269 3.665 ( -8.165 6.152 0.963) 10.269 4.015 ( 12.781 -6.981 -2.658) 14.804 4.015 ( 12.781 6.981 -2.658) 14.804 4.392 ( 15.860 -11.682 8.951) 21.636 4.392 ( 15.860 11.682 8.951) 21.636 4.910 ( 3.990 -6.714 -8.794) 11.761 4.910 ( 3.990 6.714 -8.794) 11.761 5.317 ( 5.971 -6.777 -0.278) 9.037 5.317 ( 5.971 6.777 -0.278) 9.037 5.464 ( 2.599 -7.981 -3.434) 9.069 5.464 ( 2.599 7.981 -3.434) 9.069 5.775 ( -3.949 -3.118 6.353) 8.104 5.775 ( -3.949 3.118 6.353) 8.104 6.428 ( -15.515 -7.052 -6.227) 18.144 6.428 ( -15.515 7.052 -6.227) 18.144 6.627 ( -13.592 -5.505 3.616) 15.104 6.627 ( -13.592 5.505 3.616) 15.104 7.682 ( 8.937 -11.924 -3.065) 15.213 7.682 ( 8.937 11.924 -3.065) 15.213 8.126 ( 0.642 -4.392 8.283) 9.397 8.126 ( 0.642 4.392 8.283) 9.397 8.921 ( 9.653 -10.067 -7.766) 15.963 8.921 ( 9.653 10.067 -7.766) 15.963 9.413 ( -6.097 -5.367 4.866) 9.469 9.413 ( -6.097 5.367 4.866) 9.469 11.057 ( 3.416 -18.992 -1.833) 19.384 11.057 ( 3.416 18.992 -1.833) 19.384 11.354 ( 2.101 -6.634 1.904) 7.215 11.354 ( 2.101 6.634 1.904) 7.215 11.900 ( -3.780 -7.183 -3.934) 9.020 11.900 ( -3.780 7.183 -3.934) 9.020 12.121 ( -10.311 -2.520 -4.195) 11.413 12.121 ( -10.311 2.520 -4.195) 11.413 13.136 ( 20.253 -14.029 -2.663) 24.781 13.136 ( 20.253 14.029 -2.663) 24.781 13.368 ( 16.873 -16.030 7.845) 24.560 13.368 ( 16.873 16.030 7.845) 24.560 14.250 ( -6.039 -8.576 -1.481) 10.593 14.250 ( -6.039 8.576 -1.481) 10.593 14.552 ( -7.793 -7.496 -8.429) 13.710 14.552 ( -7.793 7.496 -8.429) 13.710 14.877 ( 0.709 -5.762 10.765) 12.230 14.877 ( 0.709 5.762 10.765) 12.230 15.736 ( -10.599 -7.972 0.246) 13.264 15.736 ( -10.599 7.972 0.246) 13.264 17.328 ( 13.854 -11.151 1.549) 17.852 17.328 ( 13.854 11.151 1.549) 17.852 17.943 ( -1.785 -1.452 -0.922) 2.479 17.943 ( -1.785 1.452 -0.922) 2.479 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 2.887 -6.247 6.982) 9.803 1.646 ( 2.887 6.247 6.982) 9.803 1.772 ( -2.856 -3.548 9.338) 10.390 1.772 ( -2.856 3.548 9.338) 10.390 2.455 ( 5.213 -2.413 -2.051) 6.100 2.455 ( 5.213 2.413 -2.051) 6.100 2.773 ( -4.300 -3.977 -5.184) 7.822 2.773 ( -4.300 3.977 -5.184) 7.822 3.255 ( -7.062 -5.522 -4.718) 10.131 3.255 ( -7.062 5.522 -4.718) 10.131 3.439 ( -11.090 -8.094 1.578) 13.819 3.439 ( -11.090 8.094 1.578) 13.819 4.353 ( 16.214 -7.779 -11.295) 21.236 4.353 ( 16.214 7.779 -11.295) 21.236 4.775 ( 11.907 -9.184 3.470) 15.433 4.775 ( 11.907 9.184 3.470) 15.433 4.934 ( 5.455 -12.551 -9.598) 16.716 4.934 ( 5.455 12.551 -9.598) 16.716 5.430 ( 3.296 -6.903 -2.806) 8.148 5.430 ( 3.296 6.903 -2.806) 8.148 5.541 ( 3.462 -4.416 0.471) 5.630 5.541 ( 3.462 4.416 0.471) 5.630 5.776 ( 4.005 -5.374 1.936) 6.976 5.776 ( 4.005 5.374 1.936) 6.976 6.035 ( -18.850 -10.020 0.850) 21.365 6.035 ( -18.850 10.020 0.850) 21.365 6.338 ( -14.249 -5.343 5.628) 16.225 6.338 ( -14.249 5.343 5.628) 16.225 7.865 ( 8.165 -10.691 1.879) 13.583 7.865 ( 8.165 10.691 1.879) 13.583 8.107 ( -2.630 -5.814 7.696) 9.998 8.107 ( -2.630 5.814 7.696) 9.998 9.076 ( 5.571 -9.962 -6.628) 13.199 9.076 ( 5.571 9.962 -6.628) 13.199 9.288 ( -5.580 -6.513 1.009) 8.635 9.288 ( -5.580 6.513 1.009) 8.635 11.150 ( 5.375 -17.300 -0.952) 18.141 11.150 ( 5.375 17.300 -0.952) 18.141 11.361 ( -1.892 -10.406 3.065) 11.012 11.361 ( -1.892 10.406 3.065) 11.012 11.837 ( -1.861 -6.912 -2.941) 7.739 11.837 ( -1.861 6.912 -2.941) 7.739 11.926 ( -7.299 -2.984 -3.803) 8.755 11.926 ( -7.299 2.984 -3.803) 8.755 13.464 ( 12.257 -21.806 -3.409) 25.246 13.464 ( 12.257 21.806 -3.409) 25.246 13.840 ( 16.829 -7.479 6.762) 19.618 13.840 ( 16.829 7.479 6.762) 19.618 14.048 ( -2.026 -7.380 -4.985) 9.133 14.048 ( -2.026 7.380 -4.985) 9.133 14.525 ( 0.103 -10.075 -8.717) 13.323 14.525 ( 0.103 10.075 -8.717) 13.323 14.901 ( 2.129 -5.432 10.328) 11.862 14.901 ( 2.129 5.432 10.328) 11.862 15.411 ( -18.945 -7.626 8.505) 22.122 15.411 ( -18.945 7.626 8.505) 22.122 17.591 ( 10.706 -9.289 -2.999) 14.487 17.591 ( 10.706 9.289 -2.999) 14.487 17.885 ( -3.797 -3.394 -2.215) 5.554 17.885 ( -3.797 3.394 -2.215) 5.554 ======================= Grid point 98 (40/100) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -1.575 -14.451 7.996) 16.591 1.706 ( 1.023 -14.439 7.996) 16.537 1.706 ( -1.023 14.439 7.996) 16.537 1.706 ( 1.575 14.451 7.996) 16.591 2.622 ( -8.750 -1.176 -3.921) 9.660 2.622 ( -8.454 -0.332 -3.921) 9.325 2.622 ( 8.454 0.332 -3.921) 9.325 2.622 ( 8.750 1.176 -3.921) 9.660 3.247 ( -5.782 -6.695 0.263) 8.850 3.247 ( 5.384 -6.611 0.263) 8.530 3.247 ( -5.384 6.611 0.263) 8.530 3.247 ( 5.782 6.695 0.263) 8.850 4.659 ( -8.277 -15.822 -11.549) 21.266 4.659 ( 1.007 -15.280 -11.549) 19.180 4.659 ( -1.007 15.280 -11.549) 19.180 4.659 ( 8.277 15.822 -11.549) 21.266 5.312 ( -13.958 -7.793 -7.250) 17.554 5.312 ( -8.018 -5.301 -7.250) 12.040 5.312 ( 8.018 5.301 -7.250) 12.040 5.312 ( 13.958 7.793 -7.250) 17.554 5.647 ( -7.265 -15.241 5.350) 17.712 5.647 ( 4.622 -14.981 5.350) 16.566 5.647 ( -4.622 14.981 5.350) 16.566 5.647 ( 7.265 15.241 5.350) 17.712 6.038 ( -12.986 -6.202 5.940) 15.569 6.038 ( -3.929 -0.400 5.940) 7.133 6.038 ( 3.929 0.400 5.940) 7.133 6.038 ( 12.986 6.202 5.940) 15.569 8.016 ( -4.539 -12.026 5.468) 13.969 8.016 ( 2.891 -11.898 5.468) 13.410 8.016 ( -2.891 11.898 5.468) 13.410 8.016 ( 4.539 12.026 5.468) 13.969 9.180 ( -4.563 -8.384 -3.082) 10.031 9.180 ( 4.162 -8.332 -3.082) 9.810 9.180 ( -4.162 8.332 -3.082) 9.810 9.180 ( 4.563 8.384 -3.082) 10.031 11.274 ( -4.943 -18.589 1.498) 19.293 11.274 ( 4.293 -18.548 1.498) 19.097 11.274 ( -4.293 18.548 1.498) 19.097 11.274 ( 4.943 18.589 1.498) 19.293 11.832 ( -1.490 -6.578 -3.173) 7.453 11.832 ( 1.334 -6.569 -3.173) 7.416 11.832 ( -1.334 6.569 -3.173) 7.416 11.832 ( 1.490 6.578 -3.173) 7.453 13.710 ( -10.874 -19.374 -1.043) 22.242 13.710 ( 9.543 -19.198 -1.043) 21.464 13.710 ( -9.543 19.198 -1.043) 21.464 13.710 ( 10.874 19.374 -1.043) 22.242 14.405 ( -14.032 -7.394 -7.670) 17.618 14.405 ( -1.990 -2.536 -7.670) 8.320 14.405 ( 1.990 2.536 -7.670) 8.320 14.405 ( 14.032 7.394 -7.670) 17.618 15.037 ( -12.992 -5.856 12.980) 19.276 15.037 ( -9.532 3.847 12.980) 16.557 15.037 ( 9.532 -3.847 12.980) 16.557 15.037 ( 12.992 5.856 12.980) 19.276 17.775 ( -6.806 -6.270 -3.314) 9.829 17.775 ( 6.410 -6.165 -3.314) 9.491 17.775 ( -6.410 6.165 -3.314) 9.491 17.775 ( 6.806 6.270 -3.314) 9.829 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 0.000 21.571) 21.571 1.059 ( 0.000 0.000 25.608) 25.608 2.011 ( 0.000 0.000 3.766) 3.766 2.141 ( 0.000 0.000 48.129) 48.129 2.522 ( 0.000 0.000 -7.485) 7.485 2.574 ( 0.000 0.000 -17.339) 17.339 2.722 ( 0.000 0.000 -9.513) 9.513 2.969 ( 0.000 0.000 0.667) 0.667 3.026 ( 0.000 0.000 -7.620) 7.620 3.253 ( 0.000 0.000 -10.138) 10.138 3.424 ( 0.000 0.000 -2.006) 2.006 3.536 ( 0.000 0.000 -3.987) 3.987 3.576 ( 0.000 0.000 0.181) 0.181 3.863 ( 0.000 0.000 10.870) 10.870 4.314 ( 0.000 0.000 10.385) 10.385 4.585 ( 0.000 0.000 -2.772) 2.772 4.678 ( 0.000 0.000 -4.483) 4.483 4.896 ( 0.000 0.000 -3.320) 3.320 4.988 ( 0.000 0.000 11.024) 11.024 5.448 ( 0.000 0.000 -0.019) 0.019 5.457 ( 0.000 0.000 0.013) 0.013 5.624 ( 0.000 0.000 -8.433) 8.433 6.205 ( 0.000 0.000 0.188) 0.188 6.339 ( 0.000 0.000 -11.207) 11.207 6.364 ( 0.000 0.000 9.318) 9.318 6.373 ( 0.000 0.000 -12.870) 12.870 6.751 ( 0.000 0.000 -12.432) 12.432 7.150 ( 0.000 0.000 -20.803) 20.803 7.219 ( 0.000 0.000 -7.536) 7.536 7.350 ( 0.000 0.000 -1.769) 1.769 8.038 ( 0.000 0.000 -4.336) 4.336 8.094 ( 0.000 0.000 -6.106) 6.106 8.617 ( 0.000 0.000 7.150) 7.150 8.934 ( 0.000 0.000 6.981) 6.981 9.760 ( 0.000 0.000 13.006) 13.006 9.958 ( 0.000 0.000 6.878) 6.878 10.104 ( 0.000 0.000 7.176) 7.176 10.678 ( 0.000 0.000 -2.582) 2.582 10.923 ( 0.000 0.000 3.605) 3.605 11.706 ( 0.000 0.000 -9.224) 9.224 11.950 ( 0.000 0.000 -5.607) 5.607 11.973 ( 0.000 0.000 11.052) 11.052 12.064 ( 0.000 0.000 -9.904) 9.904 12.178 ( 0.000 0.000 -17.858) 17.858 12.410 ( 0.000 0.000 22.552) 22.552 12.674 ( 0.000 0.000 20.215) 20.215 12.691 ( 0.000 0.000 -16.396) 16.396 14.071 ( 0.000 0.000 -10.468) 10.468 14.556 ( 0.000 0.000 -1.166) 1.166 14.655 ( 0.000 0.000 -6.766) 6.766 14.769 ( 0.000 0.000 10.437) 10.437 14.975 ( 0.000 0.000 -19.947) 19.947 14.989 ( 0.000 0.000 -6.810) 6.810 15.057 ( 0.000 0.000 -0.056) 0.056 15.448 ( 0.000 0.000 5.258) 5.258 15.457 ( 0.000 0.000 6.070) 6.070 17.133 ( 0.000 0.000 18.818) 18.818 17.793 ( 0.000 0.000 -0.163) 0.163 17.832 ( 0.000 0.000 -0.326) 0.326 17.970 ( 0.000 0.000 -2.045) 2.045 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 13.526 0.000 16.961) 21.694 1.230 ( 13.682 0.000 21.260) 25.282 2.005 ( -1.345 0.000 -0.596) 1.471 2.342 ( 13.979 0.000 25.324) 28.926 2.497 ( -0.909 0.000 0.309) 0.960 2.628 ( 7.519 0.000 0.314) 7.526 2.734 ( -0.913 0.000 -11.701) 11.736 2.894 ( -2.755 0.000 -6.920) 7.448 3.112 ( 2.710 0.000 -0.161) 2.715 3.210 ( -2.602 0.000 -4.891) 5.540 3.385 ( -1.126 0.000 -9.462) 9.528 3.487 ( -3.450 0.000 -3.598) 4.985 3.612 ( 2.530 0.000 1.493) 2.937 3.735 ( -7.120 0.000 5.280) 8.864 4.413 ( -12.511 0.000 0.856) 12.540 4.491 ( -14.830 0.000 -2.649) 15.064 4.507 ( 14.536 0.000 12.240) 19.003 4.883 ( -1.008 0.000 -3.760) 3.893 5.066 ( 5.028 0.000 7.220) 8.798 5.370 ( -6.806 0.000 1.116) 6.897 5.542 ( 6.960 0.000 -1.687) 7.162 5.691 ( 4.062 0.000 -9.621) 10.443 6.073 ( -15.425 0.000 -8.709) 17.714 6.186 ( -3.630 0.000 -2.612) 4.472 6.313 ( -1.914 0.000 -6.343) 6.626 6.634 ( 14.899 0.000 6.992) 16.458 6.671 ( -7.227 0.000 -5.412) 9.029 6.917 ( -11.740 0.000 -9.457) 15.075 7.195 ( -7.545 0.000 -11.624) 13.858 7.447 ( 7.540 0.000 -0.985) 7.604 8.069 ( 3.829 0.000 -6.252) 7.331 8.219 ( 7.761 0.000 2.151) 8.054 8.616 ( 3.988 0.000 -0.180) 3.992 9.166 ( 13.315 0.000 -4.854) 14.172 9.690 ( -6.657 0.000 12.958) 14.568 9.896 ( -5.364 0.000 3.776) 6.560 10.137 ( 3.036 0.000 7.378) 7.978 10.701 ( 2.090 0.000 -1.420) 2.527 10.967 ( 3.448 0.000 3.957) 5.249 11.690 ( -1.586 0.000 -8.873) 9.013 11.892 ( -5.467 0.000 8.920) 10.462 11.900 ( -1.746 0.000 -0.925) 1.976 12.000 ( -4.430 0.000 -11.436) 12.264 12.213 ( 3.226 0.000 -15.079) 15.421 12.592 ( 6.775 0.000 16.249) 17.605 12.721 ( 9.559 0.000 -15.504) 18.214 12.936 ( 21.397 0.000 20.150) 29.392 13.942 ( -12.551 0.000 -17.382) 21.440 14.401 ( -14.241 0.000 16.614) 21.882 14.611 ( -2.878 0.000 -4.095) 5.005 14.678 ( -0.648 0.000 -4.248) 4.298 14.798 ( -3.134 0.000 -4.341) 5.354 15.107 ( -1.687 0.000 9.960) 10.102 15.171 ( -1.074 0.000 13.162) 13.206 15.287 ( 13.155 0.000 -14.522) 19.594 15.925 ( 17.253 0.000 -10.459) 20.176 17.124 ( -0.519 0.000 16.526) 16.534 17.788 ( -0.487 0.000 -1.017) 1.127 17.805 ( -2.589 0.000 -0.715) 2.686 17.913 ( -4.464 0.000 -4.520) 6.353 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 13.475 0.000 7.770) 15.555 1.556 ( 16.462 0.000 15.011) 22.278 1.912 ( -7.562 0.000 -7.083) 10.361 2.445 ( -1.160 0.000 -9.358) 9.429 2.520 ( 1.445 0.000 9.428) 9.538 2.665 ( -2.169 0.000 -7.946) 8.237 2.815 ( 0.343 0.000 -2.643) 2.665 2.995 ( -6.180 0.000 -2.056) 6.513 3.040 ( 11.391 0.000 13.087) 17.350 3.350 ( 13.525 0.000 -4.383) 14.218 3.377 ( -6.697 0.000 -0.842) 6.750 3.438 ( 10.354 0.000 -3.230) 10.846 3.615 ( -3.543 0.000 -1.530) 3.859 3.764 ( 10.839 0.000 -1.299) 10.917 4.118 ( -18.779 0.000 -2.249) 18.913 4.186 ( -8.096 0.000 -0.397) 8.106 4.829 ( 9.289 0.000 9.844) 13.535 4.869 ( 4.923 0.000 -4.228) 6.489 5.181 ( 6.373 0.000 7.658) 9.963 5.197 ( -8.435 0.000 1.503) 8.568 5.660 ( 0.887 0.000 -4.524) 4.610 5.706 ( -17.588 0.000 -7.995) 19.320 5.758 ( 3.508 0.000 -11.015) 11.560 6.090 ( -6.107 0.000 -4.483) 7.576 6.277 ( -1.349 0.000 -0.847) 1.593 6.512 ( -6.744 0.000 3.504) 7.600 6.695 ( -10.234 0.000 -9.460) 13.936 6.951 ( -14.001 0.000 -6.238) 15.327 6.977 ( 16.803 0.000 9.873) 19.489 7.595 ( 5.291 0.000 1.272) 5.442 8.154 ( 5.248 0.000 -3.641) 6.387 8.441 ( 12.653 0.000 6.588) 14.265 8.748 ( 6.554 0.000 -0.532) 6.575 9.331 ( 2.259 0.000 -10.898) 11.129 9.488 ( -11.545 0.000 11.131) 16.037 9.754 ( -7.848 0.000 -1.748) 8.040 10.229 ( 5.616 0.000 7.697) 9.528 10.750 ( 1.447 0.000 1.325) 1.962 11.035 ( 3.016 0.000 5.408) 6.192 11.671 ( 0.767 0.000 -6.978) 7.020 11.764 ( -8.025 0.000 0.536) 8.042 11.915 ( 2.235 0.000 -1.747) 2.837 11.980 ( 5.366 0.000 -11.709) 12.880 12.278 ( 2.232 0.000 -9.449) 9.709 12.539 ( -6.270 0.000 -2.293) 6.676 13.149 ( 23.937 0.000 0.021) 23.937 13.450 ( 18.233 0.000 8.650) 20.181 13.597 ( -11.115 0.000 -12.931) 17.051 14.163 ( -7.142 0.000 18.836) 20.144 14.588 ( 0.165 0.000 1.542) 1.550 14.717 ( 3.566 0.000 -6.519) 7.430 14.789 ( 1.586 0.000 -1.078) 1.917 15.060 ( -0.337 0.000 14.937) 14.940 15.225 ( 2.999 0.000 8.165) 8.698 15.472 ( 3.123 0.000 -6.616) 7.316 16.104 ( -0.068 0.000 -4.364) 4.364 17.136 ( 2.269 0.000 9.417) 9.687 17.722 ( -5.208 0.000 -1.748) 5.493 17.775 ( -0.613 0.000 -3.649) 3.700 17.822 ( -3.586 0.000 -10.002) 10.626 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 1.952 0.000 -3.905) 4.365 1.737 ( -7.450 0.000 -7.477) 10.555 1.908 ( 16.585 0.000 8.848) 18.798 2.402 ( -3.405 0.000 -5.688) 6.629 2.533 ( 3.901 0.000 5.264) 6.552 2.734 ( 3.779 0.000 2.047) 4.298 2.740 ( -4.852 0.000 -3.531) 6.001 2.865 ( -5.933 0.000 -8.841) 10.648 3.167 ( 4.778 0.000 0.031) 4.778 3.256 ( -2.772 0.000 3.696) 4.621 3.460 ( -1.032 0.000 -9.926) 9.980 3.504 ( -7.226 0.000 2.155) 7.541 3.784 ( -8.503 0.000 2.815) 8.956 3.861 ( 5.399 0.000 6.594) 8.522 4.074 ( 17.317 0.000 -10.716) 20.364 4.229 ( 23.354 0.000 -1.063) 23.378 4.756 ( -9.455 0.000 -12.319) 15.529 5.011 ( -1.086 0.000 3.424) 3.592 5.152 ( 1.043 0.000 5.527) 5.624 5.305 ( -1.134 0.000 7.816) 7.898 5.453 ( 0.015 0.000 -1.655) 1.655 5.556 ( -4.666 0.000 -8.047) 9.302 5.814 ( -0.262 0.000 -9.929) 9.932 5.919 ( -10.220 0.000 -1.717) 10.363 6.240 ( -2.085 0.000 -1.509) 2.574 6.409 ( -3.571 0.000 -3.449) 4.964 6.505 ( -5.938 0.000 1.894) 6.233 6.677 ( -10.385 0.000 0.768) 10.414 7.308 ( 13.888 0.000 9.220) 16.670 7.642 ( -1.133 0.000 4.287) 4.434 8.323 ( 10.572 0.000 2.283) 10.816 8.669 ( 5.129 0.000 10.109) 11.336 8.858 ( 5.237 0.000 1.256) 5.386 9.214 ( -10.395 0.000 4.823) 11.459 9.362 ( -0.239 0.000 -8.810) 8.813 9.574 ( -8.816 0.000 -4.372) 9.841 10.370 ( 7.707 0.000 7.756) 10.934 10.706 ( -5.744 0.000 6.002) 8.307 11.141 ( 7.678 0.000 2.521) 8.082 11.563 ( -10.470 0.000 -0.736) 10.496 11.735 ( 5.067 0.000 -7.088) 8.712 11.943 ( -0.750 0.000 -5.279) 5.332 12.224 ( 16.458 0.000 -16.650) 23.411 12.299 ( 0.218 0.000 -3.012) 3.019 12.399 ( -5.733 0.000 -0.032) 5.733 13.095 ( -22.541 0.000 -23.059) 32.246 13.615 ( 18.764 0.000 -2.104) 18.882 14.058 ( -4.495 0.000 9.566) 10.570 14.062 ( 24.591 0.000 13.836) 28.216 14.574 ( -2.387 0.000 2.221) 3.261 14.826 ( 6.604 0.000 -4.113) 7.780 14.873 ( 7.020 0.000 3.613) 7.895 15.056 ( -1.707 0.000 6.206) 6.436 15.335 ( 9.357 0.000 13.932) 16.783 15.395 ( -10.050 0.000 4.317) 10.938 15.957 ( -12.760 0.000 6.513) 14.326 17.236 ( 7.065 0.000 1.037) 7.141 17.587 ( -7.596 0.000 -2.897) 8.130 17.764 ( -0.435 0.000 -7.843) 7.855 17.771 ( -1.284 0.000 -12.299) 12.366 ======================= Grid point 130 (45/100) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -1.454 0.000 -8.006) 8.137 1.641 ( 1.454 0.000 -8.006) 8.137 2.230 ( -12.998 0.000 2.869) 13.311 2.230 ( 12.998 0.000 2.869) 13.311 2.683 ( -7.599 0.000 3.660) 8.435 2.683 ( 7.599 0.000 3.660) 8.435 2.737 ( -4.651 0.000 -7.994) 9.249 2.737 ( 4.651 0.000 -7.994) 9.249 3.314 ( -8.873 0.000 -5.252) 10.311 3.314 ( 8.873 0.000 -5.252) 10.311 3.327 ( -8.186 0.000 5.429) 9.823 3.327 ( 8.186 0.000 5.429) 9.823 3.791 ( -5.294 0.000 2.096) 5.694 3.791 ( 5.294 0.000 2.096) 5.694 4.452 ( -17.588 0.000 -15.440) 23.404 4.452 ( 17.588 0.000 -15.440) 23.404 4.886 ( -30.595 0.000 -0.037) 30.595 4.886 ( 30.595 0.000 -0.037) 30.595 5.052 ( -4.938 0.000 3.271) 5.924 5.052 ( 4.938 0.000 3.271) 5.924 5.666 ( -13.260 0.000 1.521) 13.347 5.666 ( 13.260 0.000 1.521) 13.347 5.697 ( -10.031 0.000 -2.980) 10.464 5.697 ( 10.031 0.000 -2.980) 10.464 6.273 ( -5.855 0.000 -7.970) 9.889 6.273 ( 5.855 0.000 -7.970) 9.889 6.524 ( -4.821 0.000 6.623) 8.192 6.524 ( 4.821 0.000 6.623) 8.192 7.543 ( -8.143 0.000 7.160) 10.843 7.543 ( 8.143 0.000 7.160) 10.843 8.567 ( -11.122 0.000 8.494) 13.995 8.567 ( 11.122 0.000 8.494) 13.995 9.025 ( -8.595 0.000 2.541) 8.963 9.025 ( 8.595 0.000 2.541) 8.963 9.414 ( -5.468 0.000 -7.001) 8.883 9.414 ( 5.468 0.000 -7.001) 8.883 10.545 ( -8.555 0.000 7.522) 11.392 10.545 ( 8.555 0.000 7.522) 11.392 11.339 ( -10.438 0.000 0.356) 10.444 11.339 ( 10.438 0.000 0.356) 10.444 11.862 ( -6.140 0.000 -7.490) 9.685 11.862 ( 6.140 0.000 -7.490) 9.685 12.319 ( -2.140 0.000 0.836) 2.298 12.319 ( 2.140 0.000 0.836) 2.298 12.629 ( -21.221 0.000 -20.521) 29.521 12.629 ( 21.221 0.000 -20.521) 29.521 13.915 ( -9.947 0.000 0.708) 9.973 13.915 ( 9.947 0.000 0.708) 9.973 14.446 ( -11.138 0.000 5.145) 12.269 14.446 ( 11.138 0.000 5.145) 12.269 14.968 ( -6.090 0.000 -0.314) 6.098 14.968 ( 6.090 0.000 -0.314) 6.098 15.108 ( -14.666 0.000 8.771) 17.089 15.108 ( 14.666 0.000 8.771) 17.089 15.627 ( -16.714 0.000 13.810) 21.681 15.627 ( 16.714 0.000 13.810) 21.681 17.410 ( -8.824 0.000 -2.814) 9.261 17.410 ( 8.824 0.000 -2.814) 9.261 17.759 ( -0.073 0.000 -11.081) 11.081 17.759 ( 0.073 0.000 -11.081) 11.081 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 10.009 19.771) 22.160 1.215 ( 0.000 14.198 21.191) 25.508 2.006 ( 0.000 -2.013 0.448) 2.063 2.272 ( 0.000 9.480 35.708) 36.945 2.404 ( 0.000 -8.873 -9.110) 12.717 2.591 ( 0.000 -7.197 -5.106) 8.825 2.628 ( 0.000 5.075 -4.842) 7.014 3.034 ( 0.000 7.240 -8.260) 10.984 3.112 ( 0.000 1.362 -11.291) 11.373 3.250 ( 0.000 -4.991 -9.555) 10.780 3.301 ( 0.000 0.200 6.050) 6.054 3.678 ( 0.000 10.462 -3.057) 10.900 3.833 ( 0.000 19.329 -10.526) 22.009 3.947 ( 0.000 6.164 12.379) 13.829 4.344 ( 0.000 -0.112 9.310) 9.311 4.433 ( 0.000 -13.049 -0.085) 13.049 4.508 ( 0.000 -4.190 -2.001) 4.644 4.892 ( 0.000 -3.246 2.342) 4.003 4.941 ( 0.000 -0.748 6.026) 6.072 5.384 ( 0.000 -6.591 0.726) 6.631 5.502 ( 0.000 -6.602 -8.144) 10.484 5.814 ( 0.000 17.770 -11.096) 20.950 6.042 ( 0.000 -12.708 -2.087) 12.878 6.221 ( 0.000 -1.473 8.471) 8.598 6.433 ( 0.000 9.221 -1.324) 9.316 6.652 ( 0.000 12.891 -14.730) 19.575 6.718 ( 0.000 -3.114 -11.942) 12.341 6.975 ( 0.000 -17.546 -3.538) 17.899 7.144 ( 0.000 -0.583 -19.555) 19.563 7.367 ( 0.000 -2.545 -3.911) 4.666 8.050 ( 0.000 0.982 -3.442) 3.579 8.095 ( 0.000 0.093 -5.749) 5.749 8.619 ( 0.000 0.281 7.873) 7.878 8.851 ( 0.000 -6.282 10.498) 12.234 9.752 ( 0.000 -0.474 12.600) 12.609 9.921 ( 0.000 -3.254 7.586) 8.255 10.241 ( 0.000 12.658 6.303) 14.141 10.855 ( 0.000 13.690 -7.463) 15.592 10.980 ( 0.000 5.106 2.827) 5.836 11.623 ( 0.000 -6.465 -8.467) 10.652 11.955 ( 0.000 0.239 -6.414) 6.418 11.969 ( 0.000 -6.021 -2.905) 6.686 12.150 ( 0.000 11.983 6.238) 13.509 12.157 ( 0.000 -1.444 -16.661) 16.723 12.468 ( 0.000 5.370 20.009) 20.717 12.646 ( 0.000 -3.331 -15.701) 16.050 12.695 ( 0.000 1.802 19.154) 19.239 13.991 ( 0.000 -8.699 -5.410) 10.244 14.380 ( 0.000 -14.249 6.548) 15.682 14.480 ( 0.000 -7.742 -1.363) 7.861 14.890 ( 0.000 3.553 -4.857) 6.018 14.909 ( 0.000 -1.527 -19.891) 19.949 15.097 ( 0.000 0.917 -3.675) 3.788 15.102 ( 0.000 8.108 -1.136) 8.187 15.409 ( 0.000 -3.837 0.096) 3.838 15.442 ( 0.000 -1.426 6.690) 6.840 17.140 ( 0.000 0.990 18.028) 18.056 17.735 ( 0.000 -11.025 3.105) 11.454 17.843 ( 0.000 4.261 0.064) 4.262 17.934 ( 0.000 0.524 1.934) 2.004 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.12 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 11.710 7.519 16.869) 21.868 1.363 ( 11.633 11.694 18.720) 24.950 1.995 ( -1.332 -1.637 -0.625) 2.201 2.357 ( 3.791 -0.541 7.792) 8.682 2.402 ( -1.039 -7.378 3.036) 8.046 2.541 ( -0.978 -4.436 -2.714) 5.291 2.762 ( 12.044 2.897 -0.326) 12.392 3.022 ( -1.156 5.378 -7.123) 8.999 3.164 ( 0.032 4.845 -1.390) 5.041 3.211 ( -2.119 -0.189 -3.038) 3.709 3.264 ( 0.593 -2.828 -6.889) 7.470 3.636 ( -2.945 11.482 -3.539) 12.370 3.806 ( -7.835 5.808 0.358) 9.760 3.843 ( -0.346 17.602 2.197) 17.742 4.283 ( -6.812 -9.706 -0.400) 11.865 4.378 ( -10.213 -7.799 -1.406) 12.927 4.568 ( 11.153 4.365 9.548) 15.317 4.913 ( -1.114 -1.582 6.328) 6.617 4.934 ( 3.187 -1.299 0.332) 3.457 5.466 ( 6.553 -7.199 -1.391) 9.833 5.515 ( -0.523 -0.839 -6.163) 6.242 5.749 ( -3.580 8.267 -8.621) 12.469 5.971 ( -6.948 -9.664 -2.955) 12.264 6.180 ( -7.071 1.120 -3.019) 7.770 6.312 ( -6.382 2.876 -0.528) 7.020 6.591 ( -5.098 -5.526 1.348) 7.638 6.822 ( 10.367 12.004 -5.793) 16.885 6.836 ( -7.000 -5.863 -8.869) 12.729 7.150 ( -7.211 -3.838 -11.174) 13.841 7.469 ( 9.749 0.666 -3.770) 10.474 8.080 ( 4.562 1.062 -5.414) 7.159 8.214 ( 6.852 -0.447 1.962) 7.141 8.614 ( 3.125 0.027 1.085) 3.308 9.044 ( 12.019 -9.862 1.016) 15.581 9.677 ( -7.001 -0.797 12.183) 14.074 9.854 ( -5.886 -3.611 5.201) 8.645 10.272 ( 2.934 12.540 6.410) 14.385 10.872 ( 1.486 13.789 -5.227) 14.821 11.021 ( 3.181 4.738 2.715) 6.320 11.627 ( -0.166 -5.752 -7.983) 9.841 11.821 ( -5.031 -3.596 0.336) 6.193 11.995 ( -3.266 -1.214 -9.520) 10.138 12.019 ( -4.812 6.069 -0.755) 7.782 12.241 ( 4.198 4.672 -8.554) 10.612 12.554 ( -0.477 -3.961 4.635) 6.115 12.734 ( 15.689 2.871 -2.496) 16.144 12.960 ( 20.754 1.914 18.393) 27.797 13.919 ( -8.127 -3.464 -12.010) 14.910 14.311 ( -5.496 -7.035 12.622) 15.460 14.476 ( -1.671 -10.556 -2.808) 11.050 14.683 ( -4.743 -1.455 -7.082) 8.647 14.800 ( -12.056 0.525 -5.535) 13.276 15.104 ( 1.742 -0.206 4.383) 4.721 15.147 ( -2.633 -1.191 12.785) 13.107 15.345 ( 11.477 4.235 -7.955) 14.592 15.869 ( 16.235 -5.139 -10.340) 19.922 17.134 ( -0.209 1.261 15.629) 15.681 17.718 ( -1.338 -9.691 -0.034) 9.783 17.835 ( -0.741 4.053 -0.645) 4.171 17.900 ( -3.000 1.478 0.390) 3.367 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 11.341 5.666 10.714) 16.599 1.640 ( 14.114 5.635 13.847) 20.560 1.936 ( -4.031 1.358 -2.643) 5.008 2.333 ( -4.067 -9.743 3.833) 11.232 2.375 ( 0.189 -6.174 -6.632) 9.063 2.582 ( 3.521 -5.521 -2.984) 7.196 2.904 ( -2.549 -1.477 -7.324) 7.894 2.971 ( -6.064 -1.476 -5.236) 8.147 3.141 ( 0.164 5.270 4.901) 7.199 3.288 ( 3.059 -4.544 -5.855) 8.018 3.332 ( 6.293 4.003 2.605) 7.900 3.602 ( 5.000 11.852 3.610) 13.360 3.733 ( 1.518 6.068 -3.869) 7.355 3.868 ( 3.150 9.541 -0.419) 10.056 4.101 ( -10.827 2.451 -0.408) 11.109 4.156 ( -4.852 -2.126 -4.038) 6.661 4.844 ( 11.123 1.338 8.054) 13.797 4.927 ( 4.026 3.468 -0.393) 5.328 5.006 ( 3.702 -2.146 3.264) 5.382 5.407 ( -8.209 3.566 -8.248) 12.171 5.607 ( 0.409 -3.801 -0.420) 3.845 5.676 ( -4.590 -2.357 -8.008) 9.526 5.812 ( -1.539 3.059 -3.797) 5.113 6.004 ( -8.509 -4.963 -3.699) 10.523 6.221 ( -2.180 -5.029 2.489) 6.019 6.486 ( -5.120 -2.711 2.938) 6.496 6.672 ( -8.829 -1.792 -7.510) 11.728 6.889 ( -13.505 -4.520 -6.134) 15.507 7.123 ( 14.189 11.757 6.116) 19.415 7.652 ( 6.393 4.592 -0.431) 7.883 8.178 ( 4.740 2.210 -3.209) 6.136 8.405 ( 11.364 -3.340 7.186) 13.854 8.733 ( 6.335 -1.243 -0.307) 6.463 9.225 ( 4.656 -9.821 -8.716) 13.932 9.471 ( -11.849 -0.762 10.198) 15.652 9.700 ( -8.227 -4.446 0.514) 9.365 10.360 ( 5.331 12.161 6.802) 14.919 10.896 ( -0.172 12.563 0.528) 12.576 11.088 ( 3.357 4.749 2.471) 6.319 11.622 ( 0.472 -4.683 -5.929) 7.570 11.740 ( -4.667 -2.058 -2.568) 5.711 11.931 ( -2.004 -0.281 -7.070) 7.354 11.978 ( 2.125 -0.116 -5.882) 6.255 12.344 ( 5.169 5.639 -6.816) 10.246 12.472 ( -5.580 -4.038 -2.634) 7.375 13.181 ( 23.446 3.037 0.492) 23.647 13.460 ( 20.315 0.581 10.064) 22.679 13.652 ( -10.755 4.998 -11.164) 16.287 14.196 ( -4.539 2.904 14.773) 15.725 14.455 ( 0.492 -12.622 2.182) 12.818 14.652 ( -2.100 -10.208 -5.017) 11.567 14.690 ( 3.308 -4.001 -3.176) 6.085 15.064 ( -0.991 -0.078 13.440) 13.477 15.198 ( 2.618 -1.901 6.593) 7.345 15.502 ( 1.831 2.528 -3.747) 4.877 16.039 ( -0.207 -6.023 -4.147) 7.315 17.158 ( 3.094 2.352 8.368) 9.226 17.691 ( -1.144 -5.183 -5.888) 7.927 17.803 ( -3.300 2.064 -2.541) 4.648 17.829 ( -2.403 3.212 -3.297) 5.193 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.38 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.880 1.349 3.241) 3.619 1.764 ( -4.972 3.228 -1.742) 6.179 2.011 ( 13.244 4.596 6.602) 15.495 2.290 ( 0.292 -7.249 2.058) 7.542 2.434 ( 5.580 -5.389 -5.797) 9.684 2.653 ( 0.532 -7.432 -0.590) 7.474 2.795 ( -4.112 -0.209 0.595) 4.160 2.852 ( -5.514 -2.010 -8.180) 10.068 3.136 ( 1.358 -2.010 -0.959) 2.609 3.226 ( -4.796 1.220 1.480) 5.165 3.323 ( -3.744 -9.691 -1.440) 10.488 3.556 ( -13.295 1.027 -3.581) 13.807 3.843 ( 6.373 4.614 -1.027) 7.935 3.993 ( -2.633 10.725 1.866) 11.200 4.176 ( 14.521 9.807 -8.441) 19.450 4.272 ( 26.478 6.117 -1.868) 27.239 4.869 ( -7.493 9.858 -11.482) 16.887 5.026 ( 2.050 0.282 3.463) 4.034 5.156 ( 0.988 0.725 -0.709) 1.416 5.207 ( -1.916 -8.882 -3.970) 9.915 5.487 ( -3.637 2.833 1.682) 4.907 5.573 ( -12.826 3.534 -1.601) 13.400 5.848 ( 1.181 0.186 -2.546) 2.813 5.912 ( 5.008 0.650 -5.398) 7.392 6.236 ( 2.407 -6.022 3.090) 7.184 6.358 ( -7.375 -1.341 1.884) 7.729 6.479 ( -8.657 -1.584 -0.409) 8.810 6.596 ( -11.939 -6.926 0.929) 13.834 7.418 ( 12.602 10.075 7.618) 17.842 7.716 ( -0.567 6.829 3.481) 7.686 8.321 ( 9.104 -0.442 2.808) 9.538 8.610 ( 4.766 -5.593 10.384) 12.721 8.847 ( 5.561 -0.766 0.811) 5.672 9.214 ( -10.355 0.128 3.114) 10.814 9.284 ( 1.328 -7.068 -8.290) 10.975 9.519 ( -8.574 -4.661 -3.070) 10.230 10.496 ( 7.457 11.682 7.126) 15.584 10.828 ( -6.166 11.107 5.982) 14.042 11.195 ( 7.088 4.973 0.168) 8.661 11.563 ( -8.246 -0.316 -1.885) 8.465 11.701 ( 3.844 -3.106 -7.775) 9.213 11.903 ( -2.136 -3.673 -7.627) 8.731 12.075 ( 5.786 -8.055 -6.215) 11.705 12.307 ( -6.429 -8.495 0.194) 10.655 12.525 ( 10.010 15.549 -9.020) 20.575 13.192 ( -19.030 8.808 -20.325) 29.203 13.667 ( 18.870 4.997 -1.088) 19.551 14.047 ( 22.304 -1.792 12.198) 25.485 14.112 ( -4.200 4.852 7.358) 9.763 14.460 ( -1.096 -10.815 1.388) 10.958 14.696 ( 6.585 -14.237 1.251) 15.736 14.793 ( 5.967 -5.139 -0.823) 7.918 15.052 ( -0.974 -0.613 6.850) 6.946 15.279 ( 4.858 -3.134 10.254) 11.772 15.408 ( -8.162 0.141 7.751) 11.257 15.891 ( -12.589 -6.002 6.289) 15.299 17.276 ( 7.819 3.865 0.395) 8.731 17.628 ( -6.145 3.305 -3.757) 7.924 17.746 ( -0.293 -2.004 -10.037) 10.239 17.796 ( -1.416 2.457 -6.612) 7.194 ======================= Grid point 139 (50/100) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -2.875 1.987 -1.525) 3.813 1.664 ( 2.875 1.987 -1.525) 3.813 2.250 ( -7.007 0.372 2.458) 7.434 2.250 ( 7.007 0.372 2.458) 7.434 2.567 ( -5.603 -7.260 -3.081) 9.674 2.567 ( 5.603 -7.260 -3.081) 9.674 2.772 ( -0.489 -0.153 -1.208) 1.312 2.772 ( 0.489 -0.153 -1.208) 1.312 3.185 ( -5.496 -8.387 2.382) 10.306 3.185 ( 5.496 -8.387 2.382) 10.306 3.311 ( -8.535 -0.913 -2.861) 9.048 3.311 ( 8.535 -0.913 -2.861) 9.048 3.931 ( -3.154 10.849 -0.678) 11.318 3.931 ( 3.154 10.849 -0.678) 11.318 4.523 ( -17.162 6.457 -16.166) 24.445 4.523 ( 17.162 6.457 -16.166) 24.445 4.920 ( -23.762 -0.051 -5.215) 24.327 4.920 ( 23.762 -0.051 -5.215) 24.327 5.103 ( -2.593 5.731 3.552) 7.224 5.103 ( 2.593 5.731 3.552) 7.224 5.445 ( -1.939 -5.934 -0.154) 6.245 5.445 ( 1.939 -5.934 -0.154) 6.245 5.959 ( -5.271 10.494 1.317) 11.817 5.959 ( 5.271 10.494 1.317) 11.817 6.234 ( -2.849 -3.655 -5.199) 6.964 6.234 ( 2.849 -3.655 -5.199) 6.964 6.427 ( -4.579 -8.565 7.844) 12.484 6.427 ( 4.579 -8.565 7.844) 12.484 7.631 ( -7.292 8.316 6.266) 12.712 7.631 ( 7.292 8.316 6.266) 12.712 8.533 ( -9.466 -3.687 9.105) 13.642 8.533 ( 9.466 -3.687 9.105) 13.642 9.013 ( -8.982 -0.661 1.229) 9.090 9.013 ( 8.982 -0.661 1.229) 9.090 9.360 ( -5.920 -4.863 -6.718) 10.189 9.360 ( 5.920 -4.863 -6.718) 10.189 10.667 ( -8.419 11.289 7.092) 15.768 10.667 ( 8.419 11.289 7.092) 15.768 11.372 ( -9.177 2.991 -0.912) 9.695 11.372 ( 9.177 2.991 -0.912) 9.695 11.814 ( -5.768 -4.487 -8.788) 11.430 11.814 ( 5.768 -4.487 -8.788) 11.430 12.189 ( -5.046 -9.820 -0.625) 11.058 12.189 ( 5.046 -9.820 -0.625) 11.058 12.809 ( -16.440 14.509 -15.592) 26.905 12.809 ( 16.440 14.509 -15.592) 26.905 13.971 ( -9.910 5.267 0.660) 11.242 13.971 ( 9.910 5.267 0.660) 11.242 14.371 ( -8.382 -7.994 2.034) 11.760 14.371 ( 8.382 -7.994 2.034) 11.760 14.867 ( -3.292 -10.174 2.676) 11.023 14.867 ( 3.292 -10.174 2.676) 11.023 15.094 ( -10.537 0.478 8.167) 13.340 15.094 ( 10.537 0.478 8.167) 13.340 15.573 ( -15.649 -5.083 13.142) 21.058 15.573 ( 15.649 -5.083 13.142) 21.058 17.460 ( -8.959 4.565 -2.932) 10.474 17.460 ( 8.959 4.565 -2.932) 10.474 17.765 ( -1.424 0.256 -9.908) 10.013 17.765 ( 1.424 0.256 -9.908) 10.013 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 12.486 14.763) 19.335 1.572 ( 0.000 18.068 12.717) 22.094 1.911 ( 0.000 -6.143 2.798) 6.750 2.223 ( 0.000 -6.027 -7.620) 9.715 2.254 ( 0.000 -9.081 -5.760) 10.753 2.537 ( 0.000 -7.964 18.618) 20.250 2.815 ( 0.000 11.451 0.314) 11.455 3.003 ( 0.000 -0.061 -3.155) 3.155 3.212 ( 0.000 8.133 -15.783) 17.755 3.272 ( 0.000 3.998 -1.906) 4.430 3.440 ( 0.000 9.804 -3.540) 10.424 3.816 ( 0.000 -0.155 -4.327) 4.330 3.939 ( 0.000 -1.466 -4.822) 5.039 4.193 ( 0.000 -9.758 6.794) 11.890 4.280 ( 0.000 17.532 0.029) 17.532 4.384 ( 0.000 8.547 5.812) 10.336 4.580 ( 0.000 8.171 4.175) 9.176 4.753 ( 0.000 -8.718 11.741) 14.624 4.943 ( 0.000 -3.269 -2.812) 4.312 5.276 ( 0.000 0.244 -0.362) 0.436 5.279 ( 0.000 -14.441 -5.505) 15.455 5.677 ( 0.000 -14.756 -6.713) 16.211 6.182 ( 0.000 -0.152 6.826) 6.828 6.240 ( 0.000 15.028 -6.443) 16.351 6.574 ( 0.000 -17.600 1.633) 17.676 6.625 ( 0.000 -4.791 -11.018) 12.014 6.697 ( 0.000 13.607 -4.245) 14.254 6.903 ( 0.000 8.889 -16.898) 19.093 7.122 ( 0.000 -1.886 -17.341) 17.444 7.236 ( 0.000 -9.662 -3.991) 10.454 8.072 ( 0.000 1.081 -2.849) 3.047 8.096 ( 0.000 -0.081 -4.820) 4.821 8.632 ( 0.000 1.045 9.637) 9.693 8.734 ( 0.000 -4.591 12.430) 13.251 9.750 ( 0.000 0.468 11.441) 11.451 9.844 ( 0.000 -3.869 8.741) 9.559 10.583 ( 0.000 19.737 4.544) 20.254 11.088 ( 0.000 6.460 -7.039) 9.554 11.103 ( 0.000 6.147 0.584) 6.175 11.439 ( 0.000 -12.703 -4.758) 13.565 11.830 ( 0.000 -4.057 -6.050) 7.284 11.931 ( 0.000 -3.190 -10.992) 11.445 12.163 ( 0.000 3.034 -11.546) 11.938 12.363 ( 0.000 0.971 -4.493) 4.596 12.640 ( 0.000 9.758 -0.893) 9.799 12.660 ( 0.000 12.520 16.388) 20.623 12.731 ( 0.000 1.255 16.556) 16.604 13.676 ( 0.000 -22.014 4.432) 22.455 14.179 ( 0.000 -4.993 4.396) 6.652 14.296 ( 0.000 -8.434 -5.190) 9.903 14.952 ( 0.000 3.009 -5.639) 6.391 14.960 ( 0.000 5.547 -19.003) 19.796 15.082 ( 0.000 -1.865 -6.161) 6.437 15.235 ( 0.000 4.156 -4.551) 6.163 15.297 ( 0.000 -6.208 -1.360) 6.355 15.399 ( 0.000 -2.757 8.081) 8.539 17.186 ( 0.000 3.728 16.385) 16.804 17.487 ( 0.000 -11.250 10.951) 15.700 17.934 ( 0.000 3.898 0.360) 3.915 17.970 ( 0.000 1.835 1.263) 2.227 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.12 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 6.993 9.368 13.917) 18.175 1.651 ( 5.653 13.589 12.728) 19.458 1.922 ( 1.108 -3.772 4.259) 5.796 2.212 ( -0.771 -5.790 -5.938) 8.329 2.305 ( 3.764 -8.115 -8.790) 12.542 2.495 ( -5.305 -4.729 16.399) 17.873 2.760 ( -1.907 -1.029 -4.146) 4.678 3.018 ( -1.710 -2.685 -3.635) 4.832 3.198 ( -0.459 7.261 -14.642) 16.350 3.305 ( 1.758 5.080 -0.481) 5.397 3.467 ( 3.828 12.597 -3.935) 13.741 3.798 ( -2.085 1.064 -4.635) 5.192 3.909 ( -6.044 4.465 3.139) 8.144 4.108 ( -1.880 -2.503 -2.132) 3.787 4.212 ( -8.146 10.372 1.348) 13.257 4.307 ( -1.492 4.751 6.111) 7.883 4.665 ( 7.652 4.904 5.395) 10.569 4.836 ( 5.976 -2.494 10.395) 12.248 5.007 ( 3.966 2.700 -3.533) 5.958 5.281 ( 3.123 -10.152 -4.751) 11.635 5.381 ( 6.208 -7.026 -2.105) 9.610 5.633 ( -4.297 -12.937 -8.034) 15.823 5.980 ( -9.329 2.728 4.530) 10.724 6.186 ( -14.305 -0.803 -5.289) 15.273 6.383 ( -3.816 0.592 1.147) 4.028 6.532 ( -8.391 2.867 -6.791) 11.169 6.735 ( -1.050 -1.497 -6.269) 6.530 7.001 ( -4.047 -2.796 -9.932) 11.083 7.117 ( 8.284 7.466 -6.146) 12.733 7.433 ( 14.811 -4.324 -7.519) 17.164 8.113 ( 5.415 2.193 -3.484) 6.802 8.199 ( 6.168 -1.149 0.394) 6.286 8.630 ( 1.827 1.925 4.307) 5.059 8.843 ( 7.617 -8.704 6.651) 13.342 9.671 ( -7.133 0.421 10.465) 12.671 9.770 ( -6.460 -4.103 6.940) 10.331 10.610 ( 2.492 19.325 4.501) 19.998 11.120 ( 2.526 3.608 -2.614) 5.121 11.141 ( 2.962 10.064 -2.632) 10.816 11.453 ( 1.181 -11.332 -3.436) 11.900 11.755 ( -4.034 -1.384 -5.345) 6.838 11.926 ( -2.003 -5.352 -11.197) 12.571 12.102 ( -4.974 3.737 -8.430) 10.477 12.336 ( -2.698 -3.540 -4.171) 6.100 12.587 ( 0.549 13.562 1.751) 13.686 12.832 ( 15.418 5.082 7.789) 18.006 13.010 ( 19.545 4.037 17.015) 26.227 13.712 ( 2.840 -18.084 3.021) 18.553 14.193 ( 1.613 -3.436 4.102) 5.589 14.267 ( -4.081 -7.348 -9.093) 12.382 14.674 ( -10.727 1.118 -8.956) 14.018 14.786 ( -18.581 -2.132 -7.722) 20.234 15.105 ( 2.069 0.291 3.805) 4.341 15.128 ( -2.705 -0.824 12.234) 12.557 15.443 ( 11.128 5.537 -5.995) 13.800 15.733 ( 14.145 -7.669 -9.575) 18.724 17.188 ( 0.558 4.137 13.669) 14.292 17.493 ( 0.839 -10.675 6.893) 12.735 17.922 ( -1.241 3.689 -0.181) 3.896 17.949 ( -1.994 2.237 0.419) 3.026 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 11.885 2.949 10.032) 15.830 1.733 ( 1.849 3.163 11.977) 12.525 1.948 ( -0.236 2.534 9.568) 9.901 2.189 ( -1.449 -5.171 0.821) 5.433 2.341 ( 0.262 1.853 -7.906) 8.125 2.427 ( 1.548 -7.440 2.327) 7.947 2.747 ( -0.498 -10.657 -5.137) 11.842 2.895 ( -7.732 -7.457 -5.019) 11.857 3.160 ( -3.729 3.422 -8.399) 9.806 3.304 ( -3.399 3.145 -4.877) 6.725 3.526 ( -4.665 8.541 -2.321) 10.005 3.737 ( -2.561 -0.206 1.059) 2.779 3.809 ( 0.793 4.211 -7.440) 8.585 4.011 ( -2.733 -1.056 1.056) 3.114 4.219 ( 10.128 15.800 -1.147) 18.802 4.356 ( 3.738 17.238 2.913) 17.877 4.872 ( 10.821 -0.330 1.945) 11.000 4.940 ( 3.141 -1.367 8.246) 8.929 5.096 ( 4.927 7.048 -5.008) 9.951 5.318 ( -4.357 -7.688 -9.317) 12.841 5.512 ( 5.595 -6.512 -2.082) 8.834 5.552 ( 0.650 -8.103 -5.692) 9.924 5.861 ( -1.511 -0.854 4.080) 4.434 5.917 ( -10.343 -2.936 -2.125) 10.959 6.203 ( -10.542 4.144 -0.905) 11.363 6.400 ( -5.948 -4.801 -2.147) 7.940 6.643 ( -6.938 -0.380 -2.001) 7.231 6.785 ( -12.931 -5.351 -1.783) 14.108 7.394 ( 14.403 13.442 1.597) 19.766 7.719 ( 11.312 0.337 -2.886) 11.679 8.235 ( 3.432 2.990 -0.463) 4.576 8.328 ( 7.513 -3.368 7.959) 11.452 8.719 ( 5.706 0.657 -0.650) 5.781 8.991 ( 5.840 -11.579 -4.828) 13.838 9.473 ( -10.992 1.030 7.527) 13.362 9.601 ( -8.974 -4.821 3.005) 10.621 10.686 ( 4.713 18.455 4.729) 19.626 11.153 ( -0.232 6.911 3.685) 7.835 11.216 ( 4.387 9.535 -5.385) 11.797 11.480 ( 1.264 -8.544 -2.225) 8.919 11.697 ( -2.111 -1.368 -6.300) 6.784 11.871 ( -2.484 -4.998 -9.605) 11.109 11.984 ( -5.226 1.134 -5.891) 7.956 12.235 ( -6.772 -10.550 -1.850) 12.672 12.688 ( 8.442 19.247 -3.262) 21.268 13.244 ( 21.360 0.953 0.855) 21.398 13.467 ( 21.032 1.088 11.365) 23.931 13.753 ( 0.821 1.568 1.079) 2.073 14.131 ( -4.491 -13.182 -6.287) 15.279 14.253 ( 3.596 -1.091 4.528) 5.885 14.440 ( -12.842 -6.309 -2.313) 14.494 14.594 ( 0.850 -5.692 -2.686) 6.351 15.064 ( -1.699 0.584 11.578) 11.717 15.155 ( 1.293 -2.550 7.417) 7.949 15.575 ( -0.004 4.945 -2.350) 5.475 15.882 ( -0.478 -8.684 -3.626) 9.423 17.237 ( 4.668 5.387 6.014) 9.326 17.538 ( 3.600 -8.442 -1.964) 9.386 17.869 ( -4.084 3.451 -1.079) 5.455 17.898 ( -2.469 2.604 -2.251) 4.236 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.557 4.299 8.667) 9.691 1.846 ( -6.045 5.272 7.349) 10.879 1.937 ( 11.780 -7.649 11.258) 18.001 2.190 ( 0.994 -7.145 5.654) 9.165 2.420 ( 4.986 3.302 -8.944) 10.759 2.470 ( 1.802 -7.260 -1.685) 7.668 2.699 ( -3.251 -7.400 -2.845) 8.569 2.753 ( -5.317 -7.075 -4.283) 9.832 3.116 ( 0.801 -0.766 -1.170) 1.612 3.199 ( -4.860 -0.234 -3.289) 5.873 3.314 ( -10.305 6.108 0.648) 11.997 3.543 ( -12.439 -2.242 -2.821) 12.951 3.976 ( 11.891 6.945 -10.712) 17.446 4.116 ( 5.888 1.825 -8.730) 10.687 4.421 ( 4.015 12.361 -11.530) 17.374 4.550 ( 18.923 18.779 3.644) 26.907 4.912 ( -9.292 -11.140 -6.066) 15.724 5.051 ( -0.403 -2.678 -5.066) 5.745 5.120 ( 1.814 11.745 -3.154) 12.296 5.248 ( 5.898 7.449 -3.677) 10.188 5.524 ( -4.291 -1.010 -1.796) 4.760 5.641 ( -8.212 0.963 -0.372) 8.276 5.763 ( 6.167 -6.656 -6.610) 11.226 5.940 ( 8.823 -3.673 5.443) 10.998 6.048 ( -2.463 -3.510 3.986) 5.854 6.284 ( -4.433 -8.120 5.159) 10.593 6.456 ( -10.655 -0.646 1.949) 10.851 6.490 ( -14.517 -2.002 5.327) 15.592 7.676 ( 11.630 13.915 5.558) 18.968 7.887 ( 3.818 8.366 3.029) 9.683 8.286 ( 3.371 -3.030 5.264) 6.946 8.456 ( 2.150 -8.807 10.769) 14.076 8.848 ( 6.980 1.596 -2.071) 7.453 9.102 ( 5.357 -9.330 -9.985) 14.678 9.238 ( -10.725 2.038 3.245) 11.389 9.410 ( -8.881 -5.615 -1.242) 10.580 10.809 ( 6.952 17.748 5.093) 19.729 11.103 ( -4.611 13.620 4.895) 15.190 11.322 ( 5.462 6.505 -3.235) 9.089 11.495 ( -0.620 -7.587 -2.815) 8.116 11.654 ( -0.881 -0.222 -7.517) 7.572 11.813 ( -3.829 -4.243 -8.124) 9.934 11.922 ( -0.187 -6.399 -4.917) 8.072 12.079 ( -7.007 -12.833 1.086) 14.661 12.910 ( 11.900 21.678 -6.833) 25.657 13.417 ( -8.776 11.436 -15.081) 20.863 13.805 ( 18.334 7.171 -0.141) 19.687 13.933 ( 9.672 -9.760 3.742) 14.242 14.187 ( 2.068 -13.372 1.742) 13.642 14.237 ( -2.305 3.530 5.973) 7.311 14.350 ( 7.928 -13.884 2.609) 16.200 14.648 ( 2.798 -8.743 0.106) 9.181 15.050 ( 0.674 1.133 8.427) 8.529 15.209 ( 5.360 -4.431 10.359) 12.477 15.437 ( -11.885 3.823 6.699) 14.169 15.735 ( -12.209 -8.624 5.962) 16.093 17.384 ( 8.743 6.364 -1.177) 10.877 17.633 ( 4.670 -4.038 -7.210) 9.492 17.756 ( -6.256 3.729 -2.945) 7.856 17.838 ( -3.405 1.059 -5.075) 6.202 ======================= Grid point 148 (55/100) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -3.391 5.257 8.613) 10.645 1.730 ( 3.391 5.257 8.613) 10.645 2.152 ( -6.464 -10.634 6.850) 14.205 2.152 ( 6.464 -10.634 6.850) 14.205 2.471 ( -1.102 -0.612 -7.718) 7.820 2.471 ( 1.102 -0.612 -7.718) 7.820 2.691 ( -1.971 -7.806 0.613) 8.074 2.691 ( 1.971 -7.806 0.613) 8.074 3.117 ( -3.076 3.588 0.309) 4.736 3.117 ( 3.076 3.588 0.309) 4.736 3.309 ( -8.956 -0.839 -2.524) 9.342 3.309 ( 8.956 -0.839 -2.524) 9.342 4.158 ( -3.272 10.943 -8.403) 14.179 4.158 ( 3.272 10.943 -8.403) 14.179 4.597 ( -14.108 -5.413 -19.573) 24.727 4.597 ( 14.108 -5.413 -19.573) 24.727 4.918 ( -11.662 8.417 -4.499) 15.069 4.918 ( 11.662 8.417 -4.499) 15.069 5.305 ( -11.728 9.046 2.786) 15.071 5.305 ( 11.728 9.046 2.786) 15.071 5.411 ( -6.390 2.229 -2.217) 7.122 5.411 ( 6.390 2.229 -2.217) 7.122 5.988 ( -7.535 -10.736 -5.561) 14.246 5.988 ( 7.535 -10.736 -5.561) 14.246 6.185 ( -12.011 1.180 9.803) 15.548 6.185 ( 12.011 1.180 9.803) 15.548 6.264 ( -3.972 -4.972 8.913) 10.951 6.264 ( 3.972 -4.972 8.913) 10.951 7.863 ( -5.629 13.627 6.005) 15.920 7.863 ( 5.629 13.627 6.005) 15.920 8.399 ( -6.000 -9.578 9.412) 14.708 8.399 ( 6.000 -9.578 9.412) 14.708 9.025 ( -9.399 2.263 -1.514) 9.785 9.025 ( 9.399 2.263 -1.514) 9.785 9.237 ( -7.339 -6.697 -5.707) 11.458 9.237 ( 7.339 -6.697 -5.707) 11.458 10.968 ( -7.601 16.916 5.180) 19.255 10.968 ( 7.601 16.916 5.180) 19.255 11.433 ( -4.651 1.042 -2.747) 5.501 11.433 ( 4.651 1.042 -2.747) 5.501 11.707 ( -5.187 -4.148 -8.172) 10.530 11.707 ( 5.187 -4.148 -8.172) 10.530 11.965 ( -3.796 -11.511 -0.875) 12.152 11.965 ( 3.796 -11.511 -0.875) 12.152 13.170 ( -12.563 20.441 -10.824) 26.322 13.170 ( 12.563 20.441 -10.824) 26.322 14.057 ( -2.251 -12.237 -4.765) 13.324 14.057 ( 2.251 -12.237 -4.765) 13.324 14.158 ( -7.570 2.528 2.563) 8.382 14.158 ( 7.570 2.528 2.563) 8.382 14.615 ( -8.620 -12.885 4.516) 16.147 14.615 ( 8.620 -12.885 4.516) 16.147 15.150 ( -10.509 4.780 9.389) 14.880 15.150 ( 10.509 4.780 9.389) 14.880 15.437 ( -13.994 -7.718 11.882) 19.914 15.437 ( 13.994 -7.718 11.882) 19.914 17.575 ( -8.647 6.102 -3.563) 11.167 17.575 ( 8.647 6.102 -3.563) 11.167 17.753 ( -4.432 -1.720 -7.414) 8.808 17.753 ( 4.432 -1.720 -7.414) 8.808 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.000 -11.838 6.709) 13.607 1.612 ( 0.000 11.838 6.709) 13.607 2.030 ( 0.000 -13.882 1.707) 13.987 2.030 ( 0.000 13.882 1.707) 13.987 2.259 ( 0.000 -10.946 3.427) 11.470 2.259 ( 0.000 10.946 3.427) 11.470 3.005 ( 0.000 -4.955 -0.038) 4.955 3.005 ( 0.000 4.955 -0.038) 4.955 3.312 ( 0.000 -1.295 -12.794) 12.859 3.312 ( 0.000 1.295 -12.794) 12.859 3.663 ( 0.000 -11.464 -9.280) 14.749 3.663 ( 0.000 11.464 -9.280) 14.749 4.016 ( 0.000 -8.224 11.373) 14.035 4.016 ( 0.000 8.224 11.373) 14.035 4.530 ( 0.000 -10.786 12.086) 16.199 4.530 ( 0.000 10.786 12.086) 16.199 4.643 ( 0.000 -9.709 -0.578) 9.727 4.643 ( 0.000 9.709 -0.578) 9.727 4.966 ( 0.000 -12.790 -4.295) 13.492 4.966 ( 0.000 12.790 -4.295) 13.492 5.414 ( 0.000 -10.736 -3.169) 11.194 5.414 ( 0.000 10.736 -3.169) 11.194 6.276 ( 0.000 -9.948 4.911) 11.094 6.276 ( 0.000 9.948 4.911) 11.094 6.483 ( 0.000 -8.880 -10.815) 13.994 6.483 ( 0.000 8.880 -10.815) 13.994 6.977 ( 0.000 -10.958 -5.724) 12.363 6.977 ( 0.000 10.958 -5.724) 12.363 7.063 ( 0.000 -2.433 -14.580) 14.782 7.063 ( 0.000 2.433 -14.580) 14.782 8.090 ( 0.000 -0.566 -3.636) 3.680 8.090 ( 0.000 0.566 -3.636) 3.680 8.665 ( 0.000 -2.350 11.534) 11.770 8.665 ( 0.000 2.350 11.534) 11.770 9.778 ( 0.000 -2.342 10.021) 10.291 9.778 ( 0.000 2.342 10.021) 10.291 10.991 ( 0.000 -17.498 1.475) 17.560 10.991 ( 0.000 17.498 1.475) 17.560 11.213 ( 0.000 -5.425 -2.210) 5.858 11.213 ( 0.000 5.425 -2.210) 5.858 11.845 ( 0.000 -4.053 -12.803) 13.430 11.845 ( 0.000 4.053 -12.803) 13.430 12.270 ( 0.000 -6.419 -8.213) 10.424 12.270 ( 0.000 6.419 -8.213) 10.424 12.726 ( 0.000 -2.138 11.396) 11.595 12.726 ( 0.000 2.138 11.396) 11.595 13.152 ( 0.000 -27.268 10.161) 29.100 13.152 ( 0.000 27.268 10.161) 29.100 14.169 ( 0.000 -3.479 -2.380) 4.215 14.169 ( 0.000 3.479 -2.380) 4.215 15.013 ( 0.000 -2.567 -3.511) 4.349 15.013 ( 0.000 2.567 -3.511) 4.349 15.125 ( 0.000 -7.851 -21.221) 22.627 15.125 ( 0.000 7.851 -21.221) 22.627 15.333 ( 0.000 -3.695 9.799) 10.472 15.333 ( 0.000 3.695 9.799) 10.472 17.298 ( 0.000 -7.278 14.353) 16.093 17.298 ( 0.000 7.278 14.353) 16.093 17.984 ( 0.000 -0.810 0.689) 1.063 17.984 ( 0.000 0.810 0.689) 1.063 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 1.904 -10.422 7.386) 12.915 1.630 ( 1.904 10.422 7.386) 12.915 2.087 ( 3.815 -12.971 3.984) 14.095 2.087 ( 3.815 12.971 3.984) 14.095 2.253 ( 0.274 -9.720 2.275) 9.987 2.253 ( 0.274 9.720 2.275) 9.987 2.896 ( -8.738 -9.137 -2.448) 12.877 2.896 ( -8.738 9.137 -2.448) 12.877 3.329 ( 0.475 -3.666 -14.912) 15.363 3.329 ( 0.475 3.666 -14.912) 15.363 3.685 ( 1.150 -8.971 -7.109) 11.504 3.685 ( 1.150 8.971 -7.109) 11.504 4.037 ( -2.422 -5.821 9.908) 11.744 4.037 ( -2.422 5.821 9.908) 11.744 4.362 ( -1.959 -5.063 7.478) 9.241 4.362 ( -1.959 5.063 7.478) 9.241 4.783 ( 5.566 -5.333 3.922) 8.649 4.783 ( 5.566 5.333 3.922) 8.649 5.059 ( 7.271 -7.170 -5.417) 11.559 5.059 ( 7.271 7.170 -5.417) 11.559 5.409 ( -0.167 -7.990 -3.176) 8.599 5.409 ( -0.167 7.990 -3.176) 8.599 6.063 ( -12.618 -6.928 2.769) 14.659 6.063 ( -12.618 6.928 2.769) 14.659 6.486 ( -4.378 -6.472 -9.776) 12.515 6.486 ( -4.378 6.472 -9.776) 12.515 6.848 ( -7.146 -9.160 -3.908) 12.257 6.848 ( -7.146 9.160 -3.908) 12.257 7.302 ( 15.492 -8.190 -8.425) 19.443 7.302 ( 15.492 8.190 -8.425) 19.443 8.163 ( 6.001 -2.354 -1.726) 6.673 8.163 ( 6.001 2.354 -1.726) 6.673 8.702 ( 3.240 -5.158 7.020) 9.294 8.702 ( 3.240 5.158 7.020) 9.294 9.700 ( -6.881 -2.488 8.624) 11.310 9.700 ( -6.881 2.488 8.624) 11.310 11.002 ( 1.268 -16.585 1.201) 16.677 11.002 ( 1.268 16.585 1.201) 16.677 11.274 ( 4.846 -4.482 -1.223) 6.713 11.274 ( 4.846 4.482 -1.223) 6.713 11.805 ( -3.144 -5.506 -12.019) 13.589 11.805 ( -3.144 5.506 -12.019) 13.589 12.208 ( -5.611 -6.502 -6.506) 10.774 12.208 ( -5.611 6.502 -6.506) 10.774 12.837 ( 9.621 -6.029 6.849) 13.260 12.837 ( 9.621 6.029 6.849) 13.260 13.266 ( 10.711 -21.431 11.952) 26.774 13.266 ( 10.711 21.431 11.952) 26.774 14.179 ( 0.424 -1.873 -5.050) 5.403 14.179 ( 0.424 1.873 -5.050) 5.403 14.724 ( -17.072 -3.305 -9.520) 19.824 14.724 ( -17.072 3.305 -9.520) 19.824 15.114 ( -0.574 -0.560 8.378) 8.417 15.114 ( -0.574 0.560 8.378) 8.417 15.576 ( 12.235 -7.344 -7.754) 16.240 15.576 ( 12.235 7.344 -7.754) 16.240 17.306 ( 1.207 -7.470 11.050) 13.392 17.306 ( 1.207 7.470 11.050) 13.392 17.968 ( -1.546 -0.631 0.073) 1.672 17.968 ( -1.546 0.631 0.073) 1.672 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 4.322 -4.121 7.906) 9.908 1.697 ( 4.322 4.121 7.906) 9.908 2.100 ( -2.871 -7.189 10.646) 13.163 2.100 ( -2.871 7.189 10.646) 13.163 2.321 ( 5.428 -3.828 -0.560) 6.665 2.321 ( 5.428 3.828 -0.560) 6.665 2.718 ( -6.468 -7.631 -6.121) 11.728 2.718 ( -6.468 7.631 -6.121) 11.728 3.274 ( -5.781 -5.418 -11.840) 14.247 3.274 ( -5.781 5.418 -11.840) 14.247 3.666 ( -6.347 -5.402 -3.228) 8.938 3.666 ( -6.347 5.402 -3.228) 8.938 3.925 ( 0.608 -5.673 -3.066) 6.477 3.925 ( 0.608 5.673 -3.066) 6.477 4.557 ( 14.725 -8.388 8.460) 18.941 4.557 ( 14.725 8.388 8.460) 18.941 4.831 ( -1.448 -5.577 -1.834) 6.047 4.831 ( -1.448 5.577 -1.834) 6.047 5.222 ( 7.746 -3.732 -4.089) 9.521 5.222 ( 7.746 3.732 -4.089) 9.521 5.428 ( 2.460 -1.847 -3.858) 4.935 5.428 ( 2.460 1.847 -3.858) 4.935 5.858 ( -6.619 -2.713 1.754) 7.365 5.858 ( -6.619 2.713 1.754) 7.365 6.308 ( -10.669 -4.807 -5.446) 12.907 6.308 ( -10.669 4.807 -5.446) 12.907 6.681 ( -8.998 -4.148 1.759) 10.063 6.681 ( -8.998 4.148 1.759) 10.063 7.631 ( 14.964 -8.772 -1.747) 17.433 7.631 ( 14.964 8.772 -1.747) 17.433 8.282 ( 3.847 -1.623 5.042) 6.547 8.282 ( 3.847 1.623 5.042) 6.547 8.793 ( 5.451 -6.994 -2.708) 9.272 8.793 ( 5.451 6.994 -2.708) 9.272 9.516 ( -9.913 -3.235 5.167) 11.637 9.516 ( -9.913 3.235 5.167) 11.637 11.052 ( 3.560 -15.085 1.330) 15.556 11.052 ( 3.560 15.085 1.330) 15.556 11.370 ( 3.372 -3.079 -0.302) 4.576 11.370 ( 3.372 3.079 -0.302) 4.576 11.744 ( -2.224 -6.257 -10.472) 12.400 11.744 ( -2.224 6.257 -10.472) 12.400 12.051 ( -8.671 -6.123 -3.436) 11.157 12.051 ( -8.671 6.123 -3.436) 11.157 13.088 ( 13.231 -16.510 -1.875) 21.241 13.088 ( 13.231 16.510 -1.875) 21.241 13.590 ( 19.340 -11.036 14.038) 26.323 13.590 ( 19.340 11.036 14.038) 26.323 14.119 ( -8.135 -7.866 -11.493) 16.129 14.119 ( -8.135 7.866 -11.493) 16.129 14.471 ( -4.721 -5.616 1.169) 7.429 14.471 ( -4.721 5.616 1.169) 7.429 15.098 ( -0.742 -2.620 9.564) 9.944 15.098 ( -0.742 2.620 9.564) 9.944 15.708 ( -0.585 -7.859 -2.921) 8.405 15.708 ( -0.585 7.859 -2.921) 8.405 17.372 ( 5.293 -7.573 2.717) 9.631 17.372 ( 5.293 7.573 2.717) 9.631 17.917 ( -3.313 -0.840 -1.555) 3.755 17.917 ( -3.313 0.840 -1.555) 3.755 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 5.151 -5.334 8.615) 11.367 1.801 ( 5.151 5.334 8.615) 11.367 2.005 ( -5.213 -9.443 12.233) 16.309 2.005 ( -5.213 9.443 12.233) 16.309 2.422 ( 4.240 -2.493 -0.630) 4.959 2.422 ( 4.240 2.493 -0.630) 4.959 2.638 ( -2.892 -3.045 -7.558) 8.646 2.638 ( -2.892 3.045 -7.558) 8.646 3.162 ( -2.103 -3.596 -4.708) 6.286 3.162 ( -2.103 3.596 -4.708) 6.286 3.454 ( -11.111 -6.366 -0.467) 12.814 3.454 ( -11.111 6.366 -0.467) 12.814 4.094 ( 12.358 -3.866 -14.301) 19.292 4.094 ( 12.358 3.866 -14.301) 19.292 4.660 ( -9.681 -11.445 -9.018) 17.494 4.660 ( -9.681 11.445 -9.018) 17.494 4.918 ( 13.877 -13.055 2.245) 19.184 4.918 ( 13.877 13.055 2.245) 19.184 5.327 ( -0.345 -5.704 -4.838) 7.488 5.327 ( -0.345 5.704 -4.838) 7.488 5.525 ( 6.795 -7.946 -3.334) 10.974 5.525 ( 6.795 7.946 -3.334) 10.974 5.771 ( -2.530 -7.761 -1.567) 8.312 5.771 ( -2.530 7.761 -1.567) 8.312 6.126 ( -3.887 -6.253 6.901) 10.092 6.126 ( -3.887 6.253 6.901) 10.092 6.461 ( -11.765 -1.087 6.332) 13.405 6.461 ( -11.765 1.087 6.332) 13.405 7.922 ( 12.570 -7.583 3.684) 15.135 7.922 ( 12.570 7.583 3.684) 15.135 8.288 ( -3.365 -5.888 9.469) 11.647 8.288 ( -3.365 5.888 9.469) 11.647 8.932 ( 7.612 -6.602 -6.856) 12.188 8.932 ( 7.612 6.602 -6.856) 12.188 9.305 ( -9.854 -4.383 0.712) 10.808 9.305 ( -9.854 4.383 0.712) 10.808 11.156 ( 6.226 -13.340 1.368) 14.785 11.156 ( 6.226 13.340 1.368) 14.785 11.392 ( -1.724 -3.216 -0.252) 3.657 11.392 ( -1.724 3.216 -0.252) 3.657 11.718 ( -0.056 -6.826 -8.234) 10.696 11.718 ( -0.056 6.826 -8.234) 10.696 11.872 ( -7.597 -4.220 -1.912) 8.898 11.872 ( -7.597 4.220 -1.912) 8.898 13.366 ( 12.790 -19.899 -5.843) 24.366 13.366 ( 12.790 19.899 -5.843) 24.366 13.876 ( -11.321 -11.596 -10.812) 19.481 13.876 ( -11.321 11.596 -10.812) 19.481 14.034 ( 19.229 -8.499 11.179) 23.811 14.034 ( 19.229 8.499 11.179) 23.811 14.454 ( -0.246 -9.709 1.833) 9.884 14.454 ( -0.246 9.709 1.833) 9.884 15.110 ( 3.123 -4.487 9.832) 11.249 15.110 ( 3.123 4.487 9.832) 11.249 15.562 ( -12.027 -7.806 5.969) 15.531 15.562 ( -12.027 7.806 5.969) 15.531 17.519 ( 8.115 -6.469 -3.761) 11.038 17.519 ( 8.115 6.469 -3.761) 11.038 17.826 ( -5.426 -2.278 -3.628) 6.913 17.826 ( -5.426 2.278 -3.628) 6.913 ======================= Grid point 161 (60/100) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -4.357 -11.444 10.851) 16.361 1.902 ( 4.105 -11.420 10.851) 16.279 1.902 ( -4.105 11.420 10.851) 16.279 1.902 ( 4.357 11.444 10.851) 16.361 2.533 ( -4.689 -5.750 -4.329) 8.590 2.533 ( -0.213 -5.251 -4.329) 6.809 2.533 ( 0.213 5.251 -4.329) 6.809 2.533 ( 4.689 5.750 -4.329) 8.590 3.240 ( -8.107 -5.786 -1.299) 10.044 3.240 ( 3.928 -4.572 -1.299) 6.166 3.240 ( -3.928 4.572 -1.299) 6.166 3.240 ( 8.107 5.786 -1.299) 10.044 4.387 ( -10.654 -10.542 -15.133) 21.299 4.387 ( -3.801 -9.293 -15.133) 18.161 4.387 ( 3.801 9.293 -15.133) 18.161 4.387 ( 10.654 10.542 -15.133) 21.299 5.192 ( -9.054 -12.977 -3.763) 16.265 5.192 ( 3.754 -12.305 -3.763) 13.404 5.192 ( -3.754 12.305 -3.763) 13.404 5.192 ( 9.054 12.977 -3.763) 16.265 5.677 ( -5.928 -16.594 -1.840) 17.717 5.677 ( 5.156 -16.530 -1.840) 17.413 5.677 ( -5.156 16.530 -1.840) 17.413 5.677 ( 5.928 16.594 -1.840) 17.717 6.213 ( -10.315 -1.253 10.381) 14.688 6.213 ( -10.246 1.101 10.381) 14.627 6.213 ( 10.246 -1.101 10.381) 14.627 6.213 ( 10.315 1.253 10.381) 14.688 8.153 ( -6.356 -13.502 7.767) 16.823 8.153 ( 1.985 -13.160 7.767) 15.409 8.153 ( -1.985 13.160 7.767) 15.409 8.153 ( 6.356 13.502 7.767) 16.823 9.107 ( -8.844 -5.539 -3.897) 11.139 9.107 ( 7.586 -5.052 -3.897) 9.913 9.107 ( -7.586 5.052 -3.897) 9.913 9.107 ( 8.844 5.539 -3.897) 11.139 11.298 ( -5.253 -13.461 0.497) 14.458 11.298 ( 3.659 -13.328 0.497) 13.831 11.298 ( -3.659 13.328 0.497) 13.831 11.298 ( 5.253 13.461 0.497) 14.458 11.753 ( -2.964 -7.984 -4.428) 9.598 11.753 ( 2.244 -7.925 -4.428) 9.351 11.753 ( -2.244 7.925 -4.428) 9.351 11.753 ( 2.964 7.984 -4.428) 9.598 13.625 ( -9.894 -23.061 -7.304) 26.135 13.625 ( 6.951 -22.791 -7.304) 24.922 13.625 ( -6.951 22.791 -7.304) 24.922 13.625 ( 9.894 23.061 -7.304) 26.135 14.361 ( -9.862 -11.858 3.189) 15.749 14.361 ( 9.461 -11.776 3.189) 15.439 14.361 ( -9.461 11.776 3.189) 15.439 14.361 ( 9.862 11.858 3.189) 15.749 15.278 ( -12.549 -7.364 10.740) 18.084 15.278 ( 7.682 -5.442 10.740) 14.282 15.278 ( -7.682 5.442 10.740) 14.282 15.278 ( 12.549 7.364 10.740) 18.084 17.689 ( -7.386 -4.544 -5.073) 10.047 17.689 ( 2.999 -3.043 -5.073) 6.633 17.689 ( -2.999 3.043 -5.073) 6.633 17.689 ( 7.386 4.544 -5.073) 10.047 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.000 0.000 14.037) 14.037 1.547 ( 0.000 0.000 23.540) 23.540 1.876 ( 0.000 0.000 -11.860) 11.860 2.284 ( 0.000 0.000 -9.792) 9.792 2.543 ( 0.000 0.000 4.386) 4.386 2.577 ( 0.000 0.000 -4.536) 4.536 2.653 ( 0.000 0.000 -5.202) 5.202 2.806 ( 0.000 0.000 -17.132) 17.132 3.041 ( 0.000 0.000 6.414) 6.414 3.307 ( 0.000 0.000 26.821) 26.821 3.456 ( 0.000 0.000 -3.732) 3.732 3.487 ( 0.000 0.000 6.574) 6.574 3.512 ( 0.000 0.000 -4.698) 4.698 4.141 ( 0.000 0.000 15.285) 15.285 4.487 ( 0.000 0.000 -7.096) 7.096 4.538 ( 0.000 0.000 11.271) 11.271 4.630 ( 0.000 0.000 2.342) 2.342 4.851 ( 0.000 0.000 -0.686) 0.686 5.179 ( 0.000 0.000 3.825) 3.825 5.376 ( 0.000 0.000 -14.123) 14.123 5.416 ( 0.000 0.000 -4.047) 4.047 5.448 ( 0.000 0.000 3.608) 3.608 6.096 ( 0.000 0.000 -7.046) 7.046 6.117 ( 0.000 0.000 -11.730) 11.730 6.166 ( 0.000 0.000 -7.794) 7.794 6.305 ( 0.000 0.000 -31.262) 31.262 6.646 ( 0.000 0.000 15.102) 15.102 6.918 ( 0.000 0.000 -3.235) 3.235 7.075 ( 0.000 0.000 -6.442) 6.442 7.281 ( 0.000 0.000 -5.280) 5.280 7.965 ( 0.000 0.000 -3.092) 3.092 7.982 ( 0.000 0.000 -4.672) 4.672 8.763 ( 0.000 0.000 7.228) 7.228 9.011 ( 0.000 0.000 1.006) 1.006 10.003 ( 0.000 0.000 11.045) 11.045 10.110 ( 0.000 0.000 7.562) 7.562 10.269 ( 0.000 0.000 8.898) 8.898 10.622 ( 0.000 0.000 -3.166) 3.166 11.020 ( 0.000 0.000 6.534) 6.534 11.531 ( 0.000 0.000 -7.504) 7.504 11.771 ( 0.000 0.000 -13.399) 13.399 11.773 ( 0.000 0.000 -15.343) 15.343 11.942 ( 0.000 0.000 -3.750) 3.750 12.305 ( 0.000 0.000 18.743) 18.743 12.343 ( 0.000 0.000 -14.849) 14.849 12.957 ( 0.000 0.000 28.400) 28.400 13.124 ( 0.000 0.000 24.126) 24.126 13.729 ( 0.000 0.000 -22.562) 22.562 14.426 ( 0.000 0.000 -13.191) 13.191 14.453 ( 0.000 0.000 -14.039) 14.039 14.737 ( 0.000 0.000 -4.949) 4.949 14.858 ( 0.000 0.000 -5.853) 5.853 14.930 ( 0.000 0.000 5.710) 5.710 15.017 ( 0.000 0.000 -1.329) 1.329 15.566 ( 0.000 0.000 6.194) 6.194 15.609 ( 0.000 0.000 7.017) 7.017 17.447 ( 0.000 0.000 12.914) 12.914 17.796 ( 0.000 0.000 0.557) 0.557 17.815 ( 0.000 0.000 -1.541) 1.541 17.921 ( 0.000 0.000 -2.775) 2.775 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 7.155 0.000 10.651) 12.831 1.645 ( 8.143 0.000 20.166) 21.748 1.842 ( -3.375 0.000 -11.281) 11.776 2.279 ( -0.295 0.000 -8.789) 8.794 2.568 ( -0.295 0.000 -3.180) 3.193 2.591 ( 3.816 0.000 4.089) 5.593 2.683 ( 1.013 0.000 -10.355) 10.404 2.894 ( 7.153 0.000 -14.009) 15.730 3.024 ( 0.755 0.000 6.645) 6.688 3.341 ( -4.825 0.000 2.217) 5.310 3.427 ( -1.969 0.000 -2.335) 3.054 3.449 ( 5.478 0.000 29.309) 29.816 3.551 ( 2.195 0.000 -5.052) 5.508 3.944 ( -11.819 0.000 13.649) 18.055 4.359 ( -11.277 0.000 -6.199) 12.868 4.499 ( -11.051 0.000 5.431) 12.313 4.692 ( 5.970 0.000 0.142) 5.971 4.864 ( 4.688 0.000 7.161) 8.560 5.149 ( 0.038 0.000 0.545) 0.546 5.372 ( -4.477 0.000 -1.295) 4.661 5.415 ( 3.717 0.000 -14.124) 14.605 5.581 ( 8.348 0.000 5.764) 10.144 5.901 ( -14.472 0.000 -7.530) 16.314 6.054 ( -4.843 0.000 -8.990) 10.211 6.153 ( -2.427 0.000 -16.812) 16.986 6.325 ( 2.378 0.000 -20.252) 20.391 6.834 ( -6.226 0.000 0.392) 6.238 6.846 ( 15.233 0.000 12.524) 19.720 7.028 ( -5.310 0.000 -5.979) 7.996 7.397 ( 9.269 0.000 -4.238) 10.192 7.978 ( 3.577 0.000 -2.624) 4.437 8.158 ( 13.089 0.000 -6.370) 14.556 8.716 ( -1.111 0.000 8.792) 8.862 9.123 ( 6.798 0.000 -2.165) 7.134 9.927 ( -7.062 0.000 10.394) 12.566 10.010 ( -8.934 0.000 6.768) 11.208 10.308 ( 3.593 0.000 9.404) 10.067 10.668 ( 4.003 0.000 -2.172) 4.555 11.050 ( 2.845 0.000 5.076) 5.819 11.527 ( -0.006 0.000 -6.396) 6.396 11.727 ( -3.948 0.000 -14.676) 15.197 11.853 ( 5.592 0.000 -7.815) 9.610 11.920 ( -0.192 0.000 -8.281) 8.283 12.159 ( -10.716 0.000 16.651) 19.801 12.344 ( -0.542 0.000 -15.916) 15.925 13.094 ( 12.271 0.000 26.819) 29.493 13.343 ( 12.426 0.000 13.745) 18.529 13.547 ( -9.440 0.000 -14.581) 17.370 14.445 ( 1.604 0.000 -11.579) 11.690 14.508 ( 3.503 0.000 -7.896) 8.638 14.735 ( 1.128 0.000 -1.323) 1.738 14.748 ( -9.365 0.000 10.660) 14.189 15.026 ( 13.079 0.000 -11.535) 17.439 15.146 ( 4.579 0.000 -1.765) 4.907 15.471 ( -2.841 0.000 12.591) 12.907 15.789 ( 10.541 0.000 -3.592) 11.136 17.409 ( -3.418 0.000 12.082) 12.557 17.771 ( -2.329 0.000 -0.551) 2.393 17.780 ( -3.362 0.000 -1.976) 3.899 17.845 ( -6.604 0.000 -2.738) 7.150 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 2.561 0.000 1.421) 2.929 1.734 ( -6.466 0.000 -9.324) 11.347 1.840 ( 9.692 0.000 12.667) 15.950 2.273 ( -0.353 0.000 -7.200) 7.208 2.557 ( 0.526 0.000 0.870) 1.016 2.662 ( -1.846 0.000 -7.636) 7.856 2.710 ( 6.736 0.000 5.898) 8.953 2.984 ( -2.079 0.000 -0.275) 2.097 3.118 ( 6.925 0.000 -9.048) 11.394 3.183 ( -5.348 0.000 -2.050) 5.727 3.369 ( -3.630 0.000 -0.055) 3.630 3.550 ( -2.478 0.000 -4.453) 5.096 3.750 ( 20.938 0.000 21.821) 30.242 3.822 ( 1.444 0.000 6.921) 7.071 4.062 ( -14.935 0.000 -3.090) 15.252 4.255 ( -10.838 0.000 9.255) 14.252 4.658 ( -6.158 0.000 -13.766) 15.081 5.090 ( 11.932 0.000 12.993) 17.641 5.220 ( 6.611 0.000 -3.212) 7.350 5.245 ( -5.627 0.000 3.200) 6.474 5.513 ( 5.329 0.000 -11.107) 12.319 5.580 ( -14.518 0.000 -4.330) 15.150 5.656 ( -4.285 0.000 3.144) 5.315 5.956 ( -4.523 0.000 -8.911) 9.993 6.094 ( -1.080 0.000 -18.712) 18.743 6.369 ( 0.062 0.000 -10.065) 10.065 6.701 ( -5.619 0.000 4.683) 7.315 6.871 ( -8.265 0.000 -1.895) 8.480 7.190 ( 16.131 0.000 10.911) 19.474 7.595 ( 8.228 0.000 -1.491) 8.362 8.116 ( 9.734 0.000 0.269) 9.738 8.475 ( 15.805 0.000 -6.572) 17.117 8.761 ( 4.790 0.000 6.778) 8.300 9.217 ( 1.566 0.000 -3.380) 3.725 9.704 ( -13.962 0.000 9.800) 17.058 9.780 ( -11.611 0.000 3.532) 12.137 10.410 ( 5.893 0.000 10.258) 11.830 10.766 ( 4.552 0.000 0.106) 4.553 11.126 ( 3.630 0.000 3.742) 5.213 11.542 ( 1.608 0.000 -4.631) 4.902 11.643 ( -3.229 0.000 -12.936) 13.333 11.878 ( -0.688 0.000 -1.990) 2.105 11.949 ( -7.611 0.000 9.383) 12.082 12.032 ( 7.005 0.000 -13.992) 15.647 12.309 ( -2.524 0.000 -14.481) 14.699 13.084 ( -20.437 0.000 -23.630) 31.242 13.423 ( 17.474 0.000 21.378) 27.610 13.871 ( 22.729 0.000 18.428) 29.260 14.445 ( -4.063 0.000 1.389) 4.294 14.564 ( 1.496 0.000 -3.981) 4.253 14.633 ( 0.957 0.000 5.179) 5.267 14.805 ( 5.876 0.000 3.051) 6.620 15.171 ( -1.741 0.000 -0.943) 1.980 15.307 ( 11.522 0.000 -9.819) 15.138 15.476 ( 3.444 0.000 13.549) 13.980 15.987 ( 6.854 0.000 -6.733) 9.608 17.321 ( -4.194 0.000 8.943) 9.877 17.675 ( -6.413 0.000 -3.076) 7.113 17.681 ( -7.865 0.000 -4.433) 9.028 17.704 ( -3.947 0.000 -3.399) 5.209 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -4.920 0.000 -7.008) 8.563 1.591 ( -7.154 0.000 -7.636) 10.464 2.041 ( 9.139 0.000 3.393) 9.749 2.261 ( -1.015 0.000 -7.179) 7.251 2.636 ( 6.794 0.000 6.997) 9.753 2.641 ( 0.088 0.000 -2.391) 2.393 2.830 ( 2.929 0.000 5.843) 6.536 2.847 ( -8.624 0.000 3.536) 9.321 3.123 ( -0.011 0.000 -4.261) 4.261 3.224 ( 0.380 0.000 -12.996) 13.002 3.311 ( -0.345 0.000 1.127) 1.178 3.484 ( -3.872 0.000 -3.948) 5.530 3.838 ( -4.141 0.000 3.467) 5.401 3.947 ( 9.329 0.000 -1.664) 9.476 4.046 ( -8.770 0.000 6.548) 10.945 4.277 ( 27.243 0.000 9.343) 28.801 4.465 ( -11.912 0.000 -15.397) 19.467 5.112 ( -2.203 0.000 5.991) 6.383 5.269 ( -6.743 0.000 5.517) 8.712 5.337 ( -12.784 0.000 -12.785) 18.079 5.439 ( 9.106 0.000 0.615) 9.127 5.457 ( 4.422 0.000 5.570) 7.111 5.634 ( 4.607 0.000 -7.193) 8.542 5.843 ( -6.661 0.000 -5.810) 8.839 6.097 ( -0.191 0.000 -9.673) 9.675 6.273 ( -8.695 0.000 -7.454) 11.453 6.638 ( -0.171 0.000 7.110) 7.113 6.731 ( -4.537 0.000 3.546) 5.759 7.492 ( 11.970 0.000 8.848) 14.885 7.710 ( 2.155 0.000 2.143) 3.039 8.386 ( 15.295 0.000 4.073) 15.828 8.785 ( 12.359 0.000 -6.354) 13.897 8.864 ( 3.322 0.000 7.386) 8.099 9.189 ( -4.077 0.000 -2.234) 4.649 9.399 ( -12.182 0.000 6.698) 13.902 9.537 ( -11.178 0.000 0.090) 11.178 10.549 ( 7.085 0.000 9.834) 12.121 10.808 ( -1.826 0.000 3.658) 4.088 11.204 ( 5.134 0.000 3.633) 6.289 11.548 ( -7.416 0.000 -1.847) 7.642 11.605 ( 4.448 0.000 -4.881) 6.603 11.834 ( -3.908 0.000 -5.649) 6.869 11.943 ( 8.548 0.000 -9.295) 12.628 12.152 ( 4.245 0.000 -10.652) 11.467 12.257 ( -2.069 0.000 -10.632) 10.831 12.646 ( -20.499 0.000 -21.831) 29.947 13.778 ( 15.504 0.000 15.408) 21.858 14.287 ( 15.036 0.000 8.703) 17.373 14.291 ( -9.235 0.000 11.150) 14.478 14.566 ( -1.358 0.000 -2.315) 2.684 14.754 ( 8.388 0.000 -2.389) 8.722 15.003 ( 12.986 0.000 9.154) 15.889 15.091 ( -5.718 0.000 -1.862) 6.013 15.441 ( -0.080 0.000 -0.294) 0.305 15.620 ( 10.034 0.000 13.357) 16.706 16.030 ( -3.313 0.000 0.726) 3.392 17.272 ( 0.454 0.000 2.717) 2.754 17.517 ( -8.230 0.000 -4.022) 9.160 17.554 ( -3.362 0.000 -8.224) 8.885 17.616 ( -4.157 0.000 -7.231) 8.341 ======================= Grid point 193 (65/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -2.207 0.000 -8.228) 8.518 1.476 ( 2.207 0.000 -8.228) 8.518 2.202 ( -5.315 0.000 -5.273) 7.487 2.202 ( 5.315 0.000 -5.273) 7.487 2.688 ( -5.142 0.000 3.156) 6.033 2.688 ( 5.142 0.000 3.156) 6.033 2.789 ( -6.108 0.000 6.998) 9.289 2.789 ( 6.108 0.000 6.998) 9.289 3.167 ( -3.723 0.000 -9.055) 9.791 3.167 ( 3.723 0.000 -9.055) 9.791 3.379 ( -5.548 0.000 -0.903) 5.621 3.379 ( 5.548 0.000 -0.903) 5.621 3.881 ( -6.297 0.000 6.455) 9.018 3.881 ( 6.297 0.000 6.455) 9.018 4.190 ( -13.146 0.000 -10.148) 16.608 4.190 ( 13.146 0.000 -10.148) 16.608 4.856 ( -26.616 0.000 -3.131) 26.799 4.856 ( 26.616 0.000 -3.131) 26.799 5.132 ( -4.092 0.000 4.463) 6.055 5.132 ( 4.092 0.000 4.463) 6.055 5.645 ( -5.530 0.000 -1.843) 5.829 5.645 ( 5.530 0.000 -1.843) 5.829 5.667 ( -10.027 0.000 -1.177) 10.096 5.667 ( 10.027 0.000 -1.177) 10.096 6.111 ( -3.851 0.000 -7.359) 8.306 6.111 ( 3.851 0.000 -7.359) 8.306 6.665 ( -2.217 0.000 6.493) 6.861 6.665 ( 2.217 0.000 6.493) 6.861 7.677 ( -5.289 0.000 5.821) 7.865 7.677 ( 5.289 0.000 5.821) 7.865 8.716 ( -14.054 0.000 5.600) 15.128 8.716 ( 14.054 0.000 5.600) 15.128 9.043 ( -9.438 0.000 0.198) 9.440 9.043 ( 9.438 0.000 0.198) 9.440 9.340 ( -6.025 0.000 -0.905) 6.093 9.340 ( 6.025 0.000 -0.905) 6.093 10.701 ( -7.017 0.000 7.545) 10.304 10.701 ( 7.017 0.000 7.545) 10.304 11.362 ( -9.062 0.000 2.264) 9.340 11.362 ( 9.062 0.000 2.264) 9.340 11.721 ( -6.122 0.000 -6.147) 8.675 11.721 ( 6.122 0.000 -6.147) 8.675 12.217 ( -2.138 0.000 -9.103) 9.350 12.217 ( 2.138 0.000 -9.103) 9.350 12.238 ( -17.645 0.000 -18.206) 25.354 12.238 ( 17.645 0.000 -18.206) 25.354 14.067 ( -12.033 0.000 12.467) 17.327 14.067 ( 12.033 0.000 12.467) 17.327 14.496 ( -5.760 0.000 0.710) 5.804 14.496 ( 5.760 0.000 0.710) 5.804 14.938 ( -8.432 0.000 -2.933) 8.928 14.938 ( 8.432 0.000 -2.933) 8.928 15.296 ( -12.469 0.000 9.022) 15.391 15.296 ( 12.469 0.000 9.022) 15.391 15.862 ( -11.398 0.000 9.568) 14.881 15.862 ( 11.398 0.000 9.568) 14.881 17.352 ( -6.647 0.000 -2.787) 7.207 17.352 ( 6.647 0.000 -2.787) 7.207 17.545 ( -2.060 0.000 -9.766) 9.981 17.545 ( 2.060 0.000 -9.766) 9.981 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 7.518 11.345) 13.610 1.636 ( 0.000 8.262 20.785) 22.367 1.874 ( 0.000 0.243 -11.682) 11.684 2.232 ( 0.000 -4.397 -3.240) 5.462 2.423 ( 0.000 -10.877 -1.761) 11.019 2.651 ( 0.000 9.089 1.986) 9.304 2.756 ( 0.000 6.221 -6.320) 8.868 2.837 ( 0.000 3.173 -13.372) 13.743 2.951 ( 0.000 -5.116 0.190) 5.119 3.247 ( 0.000 -8.246 11.510) 14.159 3.444 ( 0.000 -2.983 4.211) 5.161 3.609 ( 0.000 10.257 -3.707) 10.907 3.646 ( 0.000 12.707 0.641) 12.723 4.261 ( 0.000 9.708 17.221) 19.768 4.380 ( 0.000 -8.214 -6.537) 10.498 4.490 ( 0.000 -6.352 7.750) 10.021 4.611 ( 0.000 5.775 12.648) 13.904 4.856 ( 0.000 0.689 -1.536) 1.683 5.134 ( 0.000 -3.459 4.868) 5.972 5.297 ( 0.000 -6.067 -11.553) 13.049 5.386 ( 0.000 -5.881 3.902) 7.058 5.564 ( 0.000 6.371 -12.012) 13.597 6.026 ( 0.000 -2.108 -2.401) 3.195 6.209 ( 0.000 7.342 -6.584) 9.862 6.298 ( 0.000 -0.095 -28.141) 28.141 6.355 ( 0.000 12.145 -14.013) 18.543 6.556 ( 0.000 -5.441 8.795) 10.342 6.887 ( 0.000 -14.810 -4.950) 15.615 6.939 ( 0.000 0.878 -0.901) 1.258 7.279 ( 0.000 -2.534 -5.148) 5.738 7.977 ( 0.000 0.976 -3.355) 3.494 7.987 ( 0.000 0.489 -4.545) 4.571 8.780 ( 0.000 1.652 7.869) 8.040 8.990 ( 0.000 -1.881 3.470) 3.947 9.985 ( 0.000 -1.571 10.260) 10.379 10.069 ( 0.000 -3.450 6.931) 7.742 10.389 ( 0.000 11.313 8.263) 14.009 10.744 ( 0.000 10.531 -4.484) 11.446 11.063 ( 0.000 3.778 6.031) 7.116 11.468 ( 0.000 -5.314 -6.328) 8.263 11.742 ( 0.000 -2.902 -13.925) 14.224 11.776 ( 0.000 -0.794 -13.305) 13.328 11.952 ( 0.000 1.364 -3.776) 4.015 12.267 ( 0.000 -2.321 -7.011) 7.385 12.474 ( 0.000 10.313 9.611) 14.097 12.956 ( 0.000 1.301 27.280) 27.311 13.124 ( 0.000 -0.315 22.454) 22.456 13.751 ( 0.000 1.586 -17.923) 17.993 14.382 ( 0.000 -6.859 -7.436) 10.117 14.423 ( 0.000 -1.874 -8.384) 8.591 14.566 ( 0.000 -12.248 -9.552) 15.533 14.779 ( 0.000 -2.371 -4.737) 5.297 14.993 ( 0.000 0.818 -5.429) 5.491 15.023 ( 0.000 -0.812 -3.277) 3.376 15.548 ( 0.000 -1.133 8.639) 8.713 15.609 ( 0.000 -0.133 7.692) 7.693 17.435 ( 0.000 -0.613 11.751) 11.767 17.748 ( 0.000 -5.778 -0.979) 5.860 17.852 ( 0.000 4.589 0.893) 4.675 17.947 ( 0.000 2.105 -0.530) 2.170 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.12 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 7.389 7.135 9.288) 13.848 1.717 ( 6.646 6.760 16.848) 19.331 1.868 ( -0.662 2.408 -10.396) 10.692 2.236 ( 0.066 -3.863 -3.435) 5.170 2.414 ( -0.968 -10.283 0.106) 10.329 2.622 ( -0.799 2.890 2.208) 3.723 2.775 ( 0.340 5.305 -8.793) 10.275 2.930 ( 2.406 -1.553 -5.511) 6.210 2.959 ( 5.271 -0.672 -6.321) 8.257 3.219 ( -3.769 -8.869 1.594) 9.768 3.406 ( -1.137 -0.464 6.409) 6.525 3.620 ( 3.049 9.227 4.156) 10.569 3.698 ( 2.786 13.125 0.614) 13.432 4.064 ( -12.753 9.780 13.395) 20.921 4.273 ( -8.990 -5.357 -5.404) 11.779 4.393 ( -7.362 -5.831 9.996) 13.716 4.754 ( 6.555 4.373 3.079) 8.460 4.882 ( 2.277 1.829 2.902) 4.117 5.082 ( -1.338 -3.612 4.085) 5.615 5.340 ( 1.885 -3.477 -7.639) 8.602 5.441 ( 2.119 -3.017 -2.795) 4.627 5.562 ( 1.789 -1.833 -5.897) 6.429 5.927 ( -9.229 3.187 -3.358) 10.325 6.087 ( -8.730 3.441 -6.459) 11.391 6.214 ( -5.589 2.327 -15.512) 16.651 6.330 ( 2.495 0.684 -15.439) 15.654 6.731 ( 1.368 -3.615 -1.840) 4.280 6.839 ( 4.309 -5.957 1.880) 7.589 7.019 ( 4.042 1.857 0.488) 4.475 7.397 ( 10.602 -1.073 -4.201) 11.454 7.993 ( 4.003 1.430 -2.789) 5.084 8.150 ( 11.950 -0.707 -6.153) 13.460 8.734 ( -1.606 1.833 9.214) 9.531 9.081 ( 5.595 -3.796 0.693) 6.797 9.900 ( -7.762 -2.190 9.734) 12.641 9.969 ( -8.859 -3.433 6.105) 11.294 10.427 ( 3.456 11.129 8.766) 14.582 10.788 ( 3.862 10.464 -3.660) 11.739 11.094 ( 2.725 3.834 4.898) 6.791 11.479 ( 0.778 -4.292 -5.790) 7.250 11.719 ( -3.502 -1.706 -11.099) 11.763 11.794 ( 2.675 -4.705 -12.050) 13.210 11.918 ( -2.554 1.113 -3.484) 4.462 12.232 ( -3.228 1.410 -2.580) 4.366 12.392 ( -4.532 8.143 0.495) 9.332 13.081 ( 11.089 -0.310 22.951) 25.491 13.346 ( 13.838 0.109 14.766) 20.237 13.614 ( -7.457 5.913 -11.823) 15.177 14.367 ( -0.096 -8.362 -7.428) 11.185 14.459 ( 2.644 -5.766 -2.976) 7.007 14.582 ( 2.154 -9.775 -1.828) 10.175 14.764 ( -10.210 -0.777 3.616) 10.859 14.959 ( 12.006 -2.851 -11.766) 17.050 15.185 ( 4.993 0.636 -5.056) 7.134 15.495 ( -0.934 2.082 11.980) 12.196 15.752 ( 9.340 -3.299 -1.820) 10.071 17.399 ( -3.212 -0.449 10.888) 11.361 17.702 ( -4.151 -5.663 -1.532) 7.186 17.827 ( -2.299 4.562 -0.042) 5.108 17.895 ( -4.617 3.181 -0.893) 5.677 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 4.209 8.853 2.674) 10.161 1.794 ( -2.590 5.147 -2.620) 6.330 1.914 ( 7.698 6.342 4.228) 10.833 2.230 ( -0.386 -3.153 -3.414) 4.663 2.391 ( -0.115 -10.073 5.925) 11.687 2.654 ( 3.630 -4.791 4.743) 7.657 2.744 ( -2.281 2.590 -8.394) 9.076 2.910 ( -2.677 -7.435 -1.176) 7.989 3.090 ( 0.675 -6.074 -6.094) 8.631 3.154 ( 2.471 3.596 -7.394) 8.586 3.390 ( -2.866 0.952 1.267) 3.275 3.633 ( -5.309 2.940 -5.109) 7.933 3.784 ( 4.148 1.848 8.538) 9.670 3.944 ( 6.052 10.676 8.644) 15.011 4.064 ( -8.029 4.112 -3.096) 9.537 4.230 ( -6.333 0.465 13.459) 14.882 4.754 ( -5.044 7.832 -13.782) 16.635 5.010 ( 8.188 -5.663 6.300) 11.781 5.110 ( 2.476 -3.783 3.862) 5.946 5.266 ( -6.719 -2.061 -3.517) 7.859 5.516 ( 3.209 0.733 -3.342) 4.691 5.591 ( -0.757 -4.817 -4.523) 6.651 5.766 ( -2.735 5.262 -2.237) 6.339 5.887 ( -10.083 3.565 -7.663) 13.156 6.157 ( 0.303 -0.913 -9.359) 9.408 6.386 ( 1.616 0.911 -6.936) 7.180 6.657 ( -4.813 -2.307 2.288) 5.807 6.788 ( -7.536 -6.090 -3.178) 10.197 7.276 ( 15.821 7.408 8.651) 19.494 7.631 ( 9.846 2.845 -2.016) 10.446 8.134 ( 9.296 1.742 -0.416) 9.467 8.447 ( 15.148 -2.642 -5.763) 16.421 8.757 ( 3.592 -0.134 6.961) 7.834 9.158 ( 1.197 -5.563 -1.159) 5.808 9.664 ( -14.287 -3.180 8.706) 17.030 9.741 ( -11.768 -3.390 3.362) 12.700 10.526 ( 5.694 10.727 9.574) 15.465 10.884 ( 4.391 10.399 -1.411) 11.376 11.159 ( 2.839 2.885 3.760) 5.525 11.498 ( 1.324 -3.764 -4.964) 6.369 11.636 ( -3.816 -1.392 -9.615) 10.437 11.818 ( -0.895 -6.175 -4.210) 7.527 11.869 ( -2.015 -0.824 -4.504) 5.003 12.192 ( 0.238 3.365 -8.577) 9.216 12.331 ( -1.198 8.092 -4.441) 9.308 13.134 ( -13.984 4.306 -18.420) 23.524 13.470 ( 14.688 4.725 16.244) 22.404 13.870 ( 20.475 -0.384 16.662) 26.401 14.374 ( 0.086 -7.949 -2.644) 8.377 14.519 ( -0.280 -4.098 1.953) 4.549 14.593 ( -1.739 -5.943 5.299) 8.150 14.668 ( 6.128 -8.877 2.035) 10.977 15.150 ( 2.073 -1.396 -3.287) 4.129 15.265 ( 6.139 -2.405 -3.897) 7.659 15.531 ( 3.662 3.299 8.545) 9.865 15.932 ( 6.181 -5.079 -5.790) 9.876 17.321 ( -3.353 0.462 7.703) 8.414 17.594 ( -5.186 -4.036 -3.741) 7.562 17.756 ( -4.740 4.302 -2.381) 6.830 17.770 ( -6.489 4.646 -2.480) 8.357 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.38 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -4.102 11.130 -1.639) 11.975 1.706 ( -5.595 9.531 -4.374) 11.886 2.088 ( 7.812 4.140 -0.693) 8.869 2.230 ( 0.229 -1.791 -4.812) 5.140 2.460 ( 6.052 -9.883 8.449) 14.342 2.695 ( -1.677 -5.422 3.017) 6.428 2.737 ( 1.041 -2.178 -0.504) 2.466 2.858 ( -0.495 -4.531 2.500) 5.199 3.076 ( 0.683 -2.368 -4.732) 5.335 3.211 ( -0.657 -0.681 -9.035) 9.084 3.274 ( -4.686 -1.076 2.645) 5.488 3.481 ( -8.724 -1.833 -3.907) 9.733 3.824 ( 3.410 -1.854 0.985) 4.004 4.015 ( -3.521 4.852 0.147) 5.996 4.035 ( 3.476 1.130 -5.365) 6.492 4.360 ( 17.807 9.518 9.029) 22.118 4.565 ( -11.267 6.721 -16.119) 20.783 5.087 ( -4.189 -9.070 -1.733) 10.140 5.134 ( -0.347 1.398 1.934) 2.412 5.213 ( 2.636 -6.539 2.151) 7.371 5.490 ( -5.648 6.262 -3.516) 9.136 5.543 ( -4.393 1.921 2.585) 5.447 5.715 ( 2.734 -6.764 -9.562) 12.027 5.876 ( 7.286 14.790 0.112) 16.488 6.170 ( -1.244 -1.660 -5.604) 5.975 6.343 ( -6.279 7.548 -2.878) 10.232 6.571 ( -2.060 -4.454 6.153) 7.871 6.646 ( -4.707 -7.438 3.402) 9.437 7.574 ( 11.626 7.813 7.605) 15.939 7.771 ( 2.941 5.972 1.673) 6.864 8.387 ( 14.443 -0.079 3.950) 14.974 8.755 ( 13.471 -3.760 -2.039) 14.134 8.840 ( 1.879 -1.455 3.985) 4.640 9.131 ( -3.325 -5.742 -2.175) 6.982 9.353 ( -12.839 -3.489 5.801) 14.514 9.491 ( -11.587 -4.045 -0.086) 12.273 10.660 ( 6.864 10.263 9.046) 15.306 10.919 ( -2.239 10.095 2.624) 10.668 11.228 ( 5.020 2.247 2.891) 6.214 11.536 ( -6.332 -1.405 -1.526) 6.663 11.549 ( 3.554 -4.467 -6.190) 8.421 11.770 ( -4.599 -4.438 -4.321) 7.715 11.883 ( 5.579 -4.444 -12.159) 14.097 12.173 ( -3.310 -5.639 -11.166) 12.939 12.375 ( 5.231 16.602 -5.745) 18.330 12.798 ( -15.374 13.092 -18.611) 27.461 13.811 ( 15.398 2.928 13.093) 20.423 14.203 ( 7.168 -7.614 4.895) 11.546 14.331 ( -2.620 2.053 9.939) 10.482 14.447 ( -2.087 -10.072 -0.470) 10.297 14.721 ( 8.565 -4.968 -0.266) 9.905 14.846 ( 9.604 -10.931 6.360) 15.880 15.124 ( -0.866 1.452 1.705) 2.401 15.393 ( 2.603 -2.796 0.841) 3.911 15.609 ( 4.610 -1.780 11.237) 12.275 15.962 ( -3.840 -6.233 0.758) 7.360 17.297 ( 1.891 2.585 1.836) 3.691 17.515 ( -2.399 0.022 -6.617) 7.039 17.606 ( -7.197 4.137 -4.284) 9.341 17.663 ( -4.828 3.852 -6.299) 8.822 ======================= Grid point 202 (70/100) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -1.698 11.549 -3.060) 12.067 1.612 ( 1.698 11.549 -3.060) 12.067 2.210 ( -3.116 0.884 -5.925) 6.753 2.210 ( 3.116 0.884 -5.925) 6.753 2.592 ( -6.278 -7.368 5.813) 11.291 2.592 ( 6.278 -7.368 5.813) 11.291 2.808 ( -5.059 -1.278 3.872) 6.497 2.808 ( 5.059 -1.278 3.872) 6.497 3.134 ( -4.248 -2.161 -6.823) 8.323 3.134 ( 4.248 -2.161 -6.823) 8.323 3.309 ( -6.459 -4.848 1.652) 8.243 3.309 ( 6.459 -4.848 1.652) 8.243 3.914 ( -4.521 2.724 -0.697) 5.324 3.914 ( 4.521 2.724 -0.697) 5.324 4.236 ( -13.595 3.196 -12.093) 18.474 4.236 ( 13.595 3.196 -12.093) 18.474 4.825 ( -19.192 -2.259 -3.922) 19.718 4.825 ( 19.192 -2.259 -3.922) 19.718 5.176 ( -4.102 4.697 2.938) 6.894 5.176 ( 4.102 4.697 2.938) 6.894 5.460 ( -4.263 -4.186 2.242) 6.382 5.460 ( 4.263 -4.186 2.242) 6.382 5.893 ( -8.997 5.463 -6.769) 12.514 5.893 ( 8.997 5.463 -6.769) 12.514 6.185 ( -6.580 7.871 -0.076) 10.259 6.185 ( 6.580 7.871 -0.076) 10.259 6.580 ( -2.088 -7.485 6.716) 10.271 6.580 ( 2.088 -7.485 6.716) 10.271 7.750 ( -4.842 7.298 5.248) 10.210 7.750 ( 4.842 7.298 5.248) 10.210 8.704 ( -13.757 -1.893 7.296) 15.687 8.704 ( 13.757 -1.893 7.296) 15.687 9.002 ( -9.544 -3.234 -1.500) 10.188 9.002 ( 9.544 -3.234 -1.500) 10.188 9.284 ( -6.486 -5.017 -1.384) 8.316 9.284 ( 6.486 -5.017 -1.384) 8.316 10.809 ( -6.951 9.840 6.607) 13.741 10.809 ( 6.951 9.840 6.607) 13.741 11.375 ( -8.119 1.343 1.549) 8.374 11.375 ( 8.119 1.343 1.549) 8.374 11.651 ( -5.801 -5.515 -6.685) 10.429 11.651 ( 5.801 -5.515 -6.685) 10.429 12.049 ( -8.100 -7.589 -11.922) 16.289 12.049 ( 8.100 -7.589 -11.922) 16.289 12.530 ( -9.762 18.302 -11.881) 23.904 12.530 ( 9.762 18.302 -11.881) 23.904 14.091 ( -10.980 1.509 9.434) 14.555 14.091 ( 10.980 1.509 9.434) 14.555 14.396 ( -3.585 -9.174 1.334) 9.940 14.396 ( 3.585 -9.174 1.334) 9.940 14.880 ( -5.641 -6.233 -1.465) 8.533 14.880 ( 5.641 -6.233 -1.465) 8.533 15.273 ( -11.650 -0.598 8.688) 14.545 15.273 ( 11.650 -0.598 8.688) 14.545 15.792 ( -10.729 -6.387 8.731) 15.236 15.792 ( 10.729 -6.387 8.731) 15.236 17.401 ( -7.130 4.368 -2.771) 8.809 17.401 ( 7.130 4.368 -2.771) 8.809 17.573 ( -3.057 2.278 -8.708) 9.506 17.573 ( 3.057 2.278 -8.708) 9.506 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 0.000 9.007 8.744) 12.554 1.827 ( 0.000 7.411 12.377) 14.426 1.899 ( 0.000 1.374 -5.860) 6.019 2.181 ( 0.000 3.600 7.112) 7.972 2.197 ( 0.000 -10.479 3.288) 10.983 2.767 ( 0.000 -10.345 -2.588) 10.664 2.829 ( 0.000 6.644 0.539) 6.666 2.897 ( 0.000 2.817 -4.812) 5.576 2.914 ( 0.000 1.912 -13.077) 13.216 3.119 ( 0.000 -2.292 -7.867) 8.194 3.323 ( 0.000 -4.156 -9.546) 10.412 3.682 ( 0.000 -6.043 -8.735) 10.622 3.997 ( 0.000 20.107 10.398) 22.637 4.313 ( 0.000 4.149 1.224) 4.326 4.458 ( 0.000 8.683 17.300) 19.357 4.542 ( 0.000 9.976 9.317) 13.650 4.704 ( 0.000 2.703 11.696) 12.004 4.838 ( 0.000 -5.330 -1.270) 5.479 5.077 ( 0.000 -3.637 10.152) 10.784 5.134 ( 0.000 -9.706 -7.724) 12.405 5.251 ( 0.000 -3.058 1.237) 3.299 5.534 ( 0.000 -7.710 -7.457) 10.726 6.076 ( 0.000 5.377 -10.360) 11.672 6.228 ( 0.000 -1.978 -4.692) 5.092 6.279 ( 0.000 -3.435 -21.467) 21.740 6.518 ( 0.000 -9.592 -11.701) 15.130 6.633 ( 0.000 11.996 -2.040) 12.169 6.650 ( 0.000 5.392 -3.753) 6.569 6.929 ( 0.000 -2.025 -1.212) 2.360 7.157 ( 0.000 -9.063 -3.959) 9.889 7.996 ( 0.000 0.703 -3.796) 3.860 7.998 ( 0.000 0.460 -4.315) 4.339 8.827 ( 0.000 2.829 9.213) 9.637 8.944 ( 0.000 -2.505 7.643) 8.043 9.952 ( 0.000 -1.223 8.423) 8.512 9.994 ( 0.000 -3.380 6.236) 7.093 10.695 ( 0.000 17.371 6.185) 18.439 10.975 ( 0.000 10.089 -4.793) 11.169 11.146 ( 0.000 3.532 4.277) 5.546 11.334 ( 0.000 -7.876 -4.245) 8.947 11.663 ( 0.000 -4.236 -13.550) 14.197 11.704 ( 0.000 -5.965 -7.551) 9.622 12.007 ( 0.000 3.991 -4.998) 6.396 12.199 ( 0.000 -4.222 -9.891) 10.755 12.723 ( 0.000 12.833 9.916) 16.217 13.084 ( 0.000 12.286 23.467) 26.489 13.090 ( 0.000 -3.686 16.747) 17.148 13.736 ( 0.000 -5.961 0.574) 5.988 14.175 ( 0.000 -13.700 -4.251) 14.344 14.213 ( 0.000 -8.340 -1.784) 8.529 14.544 ( 0.000 5.766 -20.147) 20.956 14.783 ( 0.000 1.633 -11.313) 11.431 14.923 ( 0.000 -6.618 -11.481) 13.252 14.971 ( 0.000 -3.866 -5.465) 6.694 15.545 ( 0.000 0.907 11.202) 11.239 15.598 ( 0.000 -0.949 9.087) 9.137 17.443 ( 0.000 1.603 9.635) 9.768 17.616 ( 0.000 -6.416 3.002) 7.083 17.946 ( 0.000 3.988 0.892) 4.086 17.990 ( 0.000 1.624 0.501) 1.699 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 5.969 7.343 9.568) 13.457 1.866 ( 2.532 4.239 9.184) 10.427 1.936 ( 3.731 4.220 -5.713) 8.023 2.172 ( 0.173 -2.178 3.482) 4.111 2.238 ( 2.381 -2.980 7.276) 8.215 2.687 ( -6.229 1.481 -2.981) 7.063 2.792 ( -5.941 -9.625 7.298) 13.461 2.870 ( -1.220 2.192 -12.186) 12.441 2.919 ( 1.617 -1.020 -7.858) 8.087 3.136 ( 0.648 -5.079 -11.657) 12.731 3.352 ( 3.345 1.083 -8.610) 9.300 3.666 ( -2.525 -5.399 -8.591) 10.456 4.074 ( 4.945 21.191 10.493) 24.158 4.202 ( -10.671 6.048 8.878) 15.142 4.332 ( -11.078 3.111 6.084) 13.016 4.404 ( -1.368 11.448 9.564) 14.980 4.793 ( 3.353 -1.465 5.402) 6.525 4.931 ( 5.265 0.648 0.184) 5.308 5.047 ( -0.761 0.433 2.432) 2.585 5.225 ( 5.817 -7.714 3.749) 10.364 5.317 ( 5.587 -5.878 -1.763) 8.299 5.455 ( -6.103 -7.568 -9.508) 13.599 6.021 ( -5.790 4.083 -4.744) 8.527 6.073 ( -10.136 -3.770 -1.686) 10.946 6.233 ( -6.066 0.122 -21.088) 21.943 6.325 ( -3.479 -3.749 -7.303) 8.916 6.673 ( -0.033 1.090 -0.909) 1.420 6.808 ( 2.109 1.778 -8.163) 8.616 7.079 ( 14.685 4.058 2.194) 15.392 7.329 ( 15.265 -5.406 -3.913) 16.660 8.034 ( 5.295 2.423 -3.378) 6.732 8.127 ( 9.666 -1.589 -5.498) 11.233 8.792 ( -2.065 3.738 9.800) 10.690 8.986 ( 2.457 -5.118 5.840) 8.144 9.857 ( -8.648 -1.588 7.825) 11.770 9.895 ( -8.778 -3.351 5.453) 10.864 10.725 ( 2.823 16.761 6.637) 18.247 11.021 ( 4.040 10.153 -4.645) 11.873 11.177 ( 2.431 3.462 3.538) 5.515 11.369 ( 2.512 -6.183 -3.574) 7.571 11.644 ( -2.310 -4.676 -7.470) 9.111 11.683 ( -0.815 -6.429 -11.526) 13.223 11.969 ( -3.285 3.850 -4.449) 6.738 12.178 ( -2.052 -4.879 -9.693) 11.044 12.665 ( -3.115 16.061 7.583) 18.032 13.094 ( 6.682 -0.225 13.084) 14.693 13.364 ( 15.336 3.606 16.476) 22.796 13.744 ( 1.124 4.427 0.587) 4.605 14.096 ( -3.600 -16.065 -3.603) 16.853 14.229 ( 0.707 -11.338 -1.498) 11.458 14.518 ( 0.207 1.082 -7.640) 7.719 14.699 ( -10.335 -5.316 -1.521) 11.721 14.964 ( 11.447 3.015 -12.688) 17.352 15.147 ( 5.974 -3.862 -8.102) 10.782 15.544 ( 1.085 2.531 9.849) 10.226 15.673 ( 5.965 -4.020 2.440) 7.596 17.410 ( -2.731 1.807 8.718) 9.312 17.579 ( -3.153 -5.905 2.118) 7.021 17.921 ( -2.426 3.890 0.168) 4.587 17.953 ( -3.367 2.157 -0.070) 3.999 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 7.030 4.916 9.546) 12.834 1.891 ( 0.376 2.726 3.622) 4.548 2.051 ( 6.282 5.970 -4.234) 9.645 2.191 ( 1.603 -1.276 0.869) 2.226 2.268 ( 0.084 2.055 10.482) 10.682 2.555 ( -4.435 -2.815 3.639) 6.390 2.680 ( -3.624 -10.770 -1.398) 11.449 2.783 ( -5.435 -3.637 -6.954) 9.546 2.985 ( 3.458 -2.034 -7.819) 8.788 3.152 ( 0.645 -6.732 -7.716) 10.260 3.426 ( 1.434 3.270 -7.460) 8.270 3.567 ( -6.129 -4.397 -11.181) 13.487 3.881 ( -11.025 6.328 8.947) 15.545 4.064 ( -10.569 -0.889 4.645) 11.579 4.313 ( 5.944 19.121 4.403) 20.502 4.416 ( 3.558 16.039 6.364) 17.619 4.858 ( 1.385 -0.773 -8.524) 8.670 4.965 ( -3.040 -3.220 -5.627) 7.161 5.079 ( 3.932 3.745 5.329) 7.608 5.206 ( -4.088 -0.409 -0.282) 4.118 5.418 ( 4.770 -10.057 -4.888) 12.157 5.485 ( 6.645 -4.941 -0.724) 8.312 5.816 ( -11.813 0.753 -7.316) 13.915 5.962 ( 0.508 -4.647 5.838) 7.479 6.112 ( -4.038 3.518 -9.133) 10.588 6.341 ( 2.107 -6.140 -2.841) 7.086 6.631 ( -3.894 1.313 0.514) 4.142 6.735 ( -6.441 -0.022 -2.954) 7.086 7.455 ( 18.208 9.233 4.232) 20.849 7.673 ( 15.519 0.249 -2.154) 15.669 8.190 ( 8.616 3.739 -2.228) 9.653 8.374 ( 12.873 -4.275 -4.381) 14.255 8.771 ( 0.521 1.933 7.424) 7.689 9.009 ( -0.659 -8.297 3.525) 9.039 9.609 ( -14.182 -1.634 5.867) 15.434 9.664 ( -12.348 -3.704 3.216) 13.286 10.809 ( 4.927 15.603 7.274) 17.906 11.129 ( 5.631 11.392 -3.893) 13.291 11.219 ( 1.240 2.339 3.190) 4.146 11.408 ( 1.010 -4.191 -3.720) 5.694 11.577 ( -3.493 -3.818 -6.073) 7.979 11.684 ( 0.680 -7.575 -10.199) 12.722 11.881 ( -5.033 2.429 -2.978) 6.332 12.115 ( -3.775 -6.765 -8.282) 11.341 12.666 ( 3.632 20.382 1.724) 20.774 13.212 ( 0.622 1.218 -7.925) 8.042 13.610 ( 9.199 8.303 6.652) 14.064 13.847 ( 7.237 -1.669 5.499) 9.241 14.134 ( 7.041 -13.459 4.866) 15.950 14.262 ( 4.155 -16.236 2.624) 16.963 14.514 ( -5.341 -0.686 4.030) 6.726 14.577 ( 3.574 -3.072 2.703) 5.433 15.144 ( 3.313 0.900 -3.893) 5.190 15.221 ( 3.954 -2.069 -2.371) 5.054 15.588 ( 1.975 2.737 4.703) 5.789 15.801 ( 4.505 -7.080 -3.418) 9.061 17.354 ( -1.739 2.762 5.424) 6.330 17.511 ( -2.422 -4.167 -0.992) 4.921 17.843 ( -5.260 3.561 -1.495) 6.526 17.855 ( -5.460 3.164 -1.898) 6.590 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -0.943 7.335 6.555) 9.882 1.935 ( -1.679 11.490 2.857) 11.958 2.160 ( 4.858 -0.040 2.098) 5.292 2.260 ( 4.378 2.121 -3.301) 5.879 2.280 ( 2.215 -0.528 7.704) 8.034 2.498 ( -3.468 -10.376 3.495) 11.485 2.663 ( 2.397 -9.483 -0.773) 9.811 2.701 ( -1.341 -6.670 -1.415) 6.949 3.062 ( 4.090 0.495 -5.590) 6.944 3.138 ( -2.215 -5.795 -2.080) 6.543 3.314 ( -9.269 3.217 -1.351) 9.904 3.432 ( -8.021 -1.644 -7.869) 11.356 3.821 ( 4.927 1.786 -3.054) 6.065 3.958 ( 2.303 -3.690 -4.920) 6.567 4.236 ( -8.117 10.603 -8.681) 15.926 4.607 ( -18.709 -3.393 -18.859) 26.781 4.642 ( 12.591 15.661 6.079) 20.994 5.003 ( 1.274 3.053 -1.300) 3.555 5.177 ( 4.912 3.100 3.403) 6.732 5.230 ( 5.536 5.605 1.993) 8.126 5.496 ( -2.539 -5.523 -0.949) 6.152 5.577 ( -10.237 2.965 -5.809) 12.138 5.615 ( 10.085 -5.930 -5.293) 12.840 5.997 ( -2.218 -12.272 -3.108) 12.852 6.129 ( 8.378 8.245 7.075) 13.719 6.380 ( 1.319 -5.973 3.330) 6.964 6.518 ( -5.890 0.516 4.137) 7.216 6.576 ( -8.496 1.859 2.947) 9.183 7.789 ( 12.767 12.149 5.536) 18.473 7.939 ( 8.327 9.121 1.663) 12.462 8.373 ( 9.071 -1.126 3.682) 9.854 8.622 ( 8.375 -8.763 3.346) 12.575 8.825 ( 4.371 -0.020 0.291) 4.380 8.973 ( -0.748 -8.296 -1.453) 8.456 9.300 ( -13.953 -1.106 2.791) 14.273 9.395 ( -12.709 -4.791 -0.341) 13.586 10.926 ( 6.057 14.461 6.292) 16.894 11.163 ( -3.180 11.551 0.370) 11.986 11.294 ( 6.109 4.286 0.798) 7.505 11.425 ( 0.998 -6.631 -3.766) 7.691 11.507 ( -2.556 -1.903 -6.349) 7.104 11.705 ( -2.063 -2.966 -3.828) 5.263 11.774 ( -1.192 -4.239 -8.037) 9.164 12.017 ( -5.717 -9.040 -6.325) 12.427 12.796 ( 7.722 23.530 -3.980) 25.083 13.120 ( -7.033 17.003 -14.036) 23.143 13.830 ( 9.771 -6.912 1.528) 12.066 13.942 ( 2.335 -15.462 -1.883) 15.750 14.210 ( 1.922 -6.646 4.625) 8.322 14.420 ( -4.223 4.619 8.549) 10.595 14.507 ( 13.799 -12.573 10.074) 21.213 14.679 ( 4.495 -6.662 2.862) 8.531 15.166 ( 2.407 3.161 3.600) 5.361 15.348 ( 7.007 -2.760 2.269) 7.866 15.570 ( -3.844 -0.143 7.233) 8.192 15.804 ( -4.760 -8.517 1.056) 9.814 17.373 ( 3.942 4.375 0.127) 5.890 17.506 ( 2.220 -1.250 -5.205) 5.795 17.695 ( -8.050 4.043 -2.942) 9.477 17.736 ( -6.062 2.559 -4.799) 8.144 ======================= Grid point 211 (75/100) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -2.555 12.231 5.596) 13.691 1.867 ( 2.555 12.231 5.596) 13.691 2.256 ( -3.141 3.322 -1.507) 4.814 2.256 ( 3.141 3.322 -1.507) 4.814 2.392 ( -5.823 -10.379 4.451) 12.706 2.392 ( 5.823 -10.379 4.451) 12.706 2.711 ( -0.271 -9.231 0.924) 9.281 2.711 ( 0.271 -9.231 0.924) 9.281 3.101 ( -0.795 1.492 -2.547) 3.057 3.101 ( 0.795 1.492 -2.547) 3.057 3.259 ( -6.148 -1.334 -1.480) 6.463 3.259 ( 6.148 -1.334 -1.480) 6.463 3.983 ( -7.664 4.150 -8.456) 12.143 3.983 ( 7.664 4.150 -8.456) 12.143 4.225 ( -14.172 -5.211 -17.056) 22.780 4.225 ( 14.172 -5.211 -17.056) 22.780 4.893 ( -9.974 10.889 1.542) 14.847 4.893 ( 9.974 10.889 1.542) 14.847 5.324 ( -6.087 6.666 -2.230) 9.298 5.324 ( 6.087 6.666 -2.230) 9.298 5.403 ( -5.516 -1.355 2.694) 6.287 5.403 ( 5.516 -1.355 2.694) 6.287 5.859 ( -10.460 -8.379 -6.546) 14.915 5.859 ( 10.460 -8.379 -6.546) 14.915 6.345 ( -9.142 5.428 6.277) 12.346 6.345 ( 9.142 5.428 6.277) 12.346 6.436 ( -0.681 -4.409 7.353) 8.600 6.436 ( 0.681 -4.409 7.353) 8.600 7.976 ( -4.434 14.414 4.996) 15.887 7.976 ( 4.434 14.414 4.996) 15.887 8.586 ( -9.642 -10.477 8.952) 16.818 8.586 ( 9.642 -10.477 8.952) 16.818 8.969 ( -7.361 1.026 -3.770) 8.334 8.969 ( 7.361 1.026 -3.770) 8.334 9.160 ( -6.962 -6.500 -2.184) 9.772 9.160 ( 6.962 -6.500 -2.184) 9.772 11.057 ( -6.120 12.995 3.310) 14.740 11.057 ( 6.120 12.995 3.310) 14.740 11.398 ( -3.505 -0.973 -1.083) 3.795 11.398 ( 3.505 -0.973 -1.083) 3.795 11.562 ( -7.237 -0.693 -4.871) 8.751 11.562 ( 7.237 -0.693 -4.871) 8.751 11.877 ( -7.014 -9.564 -7.426) 13.993 11.877 ( 7.014 -9.564 -7.426) 13.993 12.962 ( -7.746 23.569 -9.274) 26.486 12.962 ( 7.746 23.569 -9.274) 26.486 13.952 ( -1.928 -18.874 -3.962) 19.381 13.952 ( 1.928 -18.874 -3.962) 19.381 14.304 ( -6.394 4.565 9.307) 12.180 14.304 ( 6.394 4.565 9.307) 12.180 14.695 ( -3.966 -10.831 2.678) 11.841 14.695 ( 3.966 -10.831 2.678) 11.841 15.317 ( -9.979 4.757 7.110) 13.144 15.317 ( 9.979 4.757 7.110) 13.144 15.628 ( -9.969 -8.938 7.328) 15.263 15.628 ( 9.969 -8.938 7.328) 15.263 17.505 ( -7.398 5.163 -3.188) 9.568 17.505 ( 7.398 5.163 -3.188) 9.568 17.610 ( -5.005 0.718 -6.524) 8.254 17.610 ( 5.005 0.718 -6.524) 8.254 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.000 -7.315 8.540) 11.244 1.788 ( 0.000 7.315 8.540) 11.244 2.007 ( 0.000 -8.027 0.743) 8.062 2.007 ( 0.000 8.027 0.743) 8.062 2.438 ( 0.000 -17.682 11.517) 21.102 2.438 ( 0.000 17.682 11.517) 21.102 2.942 ( 0.000 -0.551 -19.422) 19.430 2.942 ( 0.000 0.551 -19.422) 19.430 2.974 ( 0.000 -7.446 -4.701) 8.806 2.974 ( 0.000 7.446 -4.701) 8.806 3.457 ( 0.000 -12.352 -11.306) 16.745 3.457 ( 0.000 12.352 -11.306) 16.745 4.343 ( 0.000 -8.563 15.365) 17.590 4.343 ( 0.000 8.563 15.365) 17.590 4.639 ( 0.000 -10.099 0.958) 10.144 4.639 ( 0.000 10.099 0.958) 10.144 4.733 ( 0.000 -3.977 8.295) 9.199 4.733 ( 0.000 3.977 8.295) 9.199 4.966 ( 0.000 -1.318 6.317) 6.453 4.966 ( 0.000 1.318 6.317) 6.453 5.351 ( 0.000 -8.726 -2.509) 9.080 5.351 ( 0.000 8.726 -2.509) 9.080 6.180 ( 0.000 -4.171 -14.991) 15.561 6.180 ( 0.000 4.171 -14.991) 15.561 6.290 ( 0.000 -7.174 -9.283) 11.732 6.290 ( 0.000 7.174 -9.283) 11.732 6.804 ( 0.000 -3.687 -5.808) 6.879 6.804 ( 0.000 3.687 -5.808) 6.879 6.939 ( 0.000 -9.962 -1.930) 10.147 6.939 ( 0.000 9.962 -1.930) 10.147 8.003 ( 0.000 -0.010 -4.102) 4.102 8.003 ( 0.000 0.010 -4.102) 4.102 8.888 ( 0.000 -2.940 9.697) 10.133 8.888 ( 0.000 2.940 9.697) 10.133 9.947 ( 0.000 -0.979 6.727) 6.798 9.947 ( 0.000 0.979 6.727) 6.798 11.023 ( 0.000 -10.762 1.044) 10.812 11.023 ( 0.000 10.762 1.044) 10.812 11.189 ( 0.000 -2.053 0.080) 2.055 11.189 ( 0.000 2.053 0.080) 2.055 11.613 ( 0.000 -0.877 -9.286) 9.328 11.613 ( 0.000 0.877 -9.286) 9.328 12.104 ( 0.000 -4.995 -7.659) 9.144 12.104 ( 0.000 4.995 -7.659) 9.144 12.956 ( 0.000 -9.366 9.866) 13.604 12.956 ( 0.000 9.366 9.866) 13.604 13.435 ( 0.000 -19.789 18.324) 26.970 13.435 ( 0.000 19.789 18.324) 26.970 14.085 ( 0.000 -3.112 -5.993) 6.753 14.085 ( 0.000 3.112 -5.993) 6.753 14.706 ( 0.000 -8.951 -20.212) 22.106 14.706 ( 0.000 8.951 -20.212) 22.106 14.887 ( 0.000 -3.665 -6.296) 7.285 14.887 ( 0.000 3.665 -6.296) 7.285 15.572 ( 0.000 -1.465 10.544) 10.645 15.572 ( 0.000 1.465 10.544) 10.645 17.503 ( 0.000 -4.333 6.836) 8.094 17.503 ( 0.000 4.333 6.836) 8.094 17.999 ( 0.000 -0.990 0.706) 1.216 17.999 ( 0.000 0.990 0.706) 1.216 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 2.665 -5.915 9.937) 11.868 1.818 ( 2.665 5.915 9.937) 11.868 2.051 ( 3.920 -6.393 -0.893) 7.552 2.051 ( 3.920 6.393 -0.893) 7.552 2.437 ( -0.216 -15.946 10.060) 18.856 2.437 ( -0.216 15.946 10.060) 18.856 2.846 ( -9.339 -6.244 -4.184) 11.988 2.846 ( -9.339 6.244 -4.184) 11.988 2.966 ( 1.470 -5.744 -17.108) 18.107 2.966 ( 1.470 5.744 -17.108) 18.107 3.493 ( 1.815 -9.321 -11.151) 14.646 3.493 ( 1.815 9.321 -11.151) 14.646 4.312 ( -12.107 -3.984 14.348) 19.191 4.312 ( -12.107 3.984 14.348) 19.191 4.491 ( 3.983 -12.824 4.919) 14.301 4.491 ( 3.983 12.824 4.919) 14.301 4.816 ( 1.417 -9.568 -1.056) 9.730 4.816 ( 1.417 9.568 -1.056) 9.730 5.085 ( 8.144 -4.293 9.397) 13.155 5.085 ( 8.144 4.293 9.397) 13.155 5.315 ( -2.443 -5.049 -5.829) 8.089 5.315 ( -2.443 5.049 -5.829) 8.089 6.047 ( -10.478 -1.088 -4.173) 11.331 6.047 ( -10.478 1.088 -4.173) 11.331 6.238 ( -2.166 -1.699 -14.834) 15.087 6.238 ( -2.166 1.699 -14.834) 15.087 6.775 ( -2.388 -5.198 -2.900) 6.413 6.775 ( -2.388 5.198 -2.900) 6.413 7.196 ( 19.031 -6.895 -2.533) 20.399 7.196 ( 19.031 6.895 -2.533) 20.399 8.085 ( 7.339 -2.443 -4.424) 8.911 8.085 ( 7.339 2.443 -4.424) 8.911 8.882 ( -0.729 -4.906 9.101) 10.365 8.882 ( -0.729 4.906 9.101) 10.365 9.849 ( -8.835 -0.925 6.009) 10.724 9.849 ( -8.835 0.925 6.009) 10.724 11.038 ( 1.717 -10.905 1.856) 11.194 11.038 ( 1.717 10.905 1.856) 11.194 11.255 ( 5.082 -4.775 -0.614) 7.000 11.255 ( 5.082 4.775 -0.614) 7.000 11.586 ( -2.208 -0.827 -8.839) 9.148 11.586 ( -2.208 0.827 -8.839) 9.148 12.068 ( -3.249 -5.467 -6.774) 9.292 12.068 ( -3.249 5.467 -6.774) 9.292 12.970 ( 2.062 -11.901 5.958) 13.468 12.970 ( 2.062 11.901 5.958) 13.468 13.576 ( 11.818 -15.793 17.772) 26.550 13.576 ( 11.818 15.793 17.772) 26.550 14.033 ( -4.367 -7.438 -8.053) 11.800 14.033 ( -4.367 7.438 -8.053) 11.800 14.584 ( -5.620 -5.056 -5.679) 9.455 14.584 ( -5.620 5.056 -5.679) 9.455 15.051 ( 8.921 -4.977 -11.022) 15.028 15.051 ( 8.921 4.977 -11.022) 15.028 15.599 ( 2.689 -3.074 6.743) 7.883 15.599 ( 2.689 3.074 6.743) 7.883 17.473 ( -2.522 -4.237 5.868) 7.665 17.473 ( -2.522 4.237 5.868) 7.665 17.970 ( -2.721 -0.753 0.093) 2.825 17.970 ( -2.721 0.753 0.093) 2.825 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 3.952 -1.680 11.032) 11.839 1.889 ( 3.952 1.680 11.032) 11.839 2.150 ( 4.584 -4.070 -0.699) 6.170 2.150 ( 4.584 4.070 -0.699) 6.170 2.433 ( 0.152 -11.503 5.047) 12.562 2.433 ( 0.152 11.503 5.047) 12.562 2.636 ( -9.231 -9.500 -1.896) 13.381 2.636 ( -9.231 9.500 -1.896) 13.381 3.011 ( 2.496 -4.269 -11.818) 12.811 3.011 ( 2.496 4.269 -11.818) 12.811 3.497 ( -1.824 -3.197 -11.318) 11.902 3.497 ( -1.824 3.197 -11.318) 11.902 4.000 ( -13.070 -4.872 8.543) 16.357 4.000 ( -13.070 4.872 8.543) 16.357 4.681 ( 5.243 -10.877 0.365) 12.080 4.681 ( 5.243 10.877 0.365) 12.080 4.769 ( -2.094 -9.905 -2.128) 10.345 4.769 ( -2.094 9.905 -2.128) 10.345 5.222 ( 5.886 -7.976 -0.660) 9.935 5.222 ( 5.886 7.976 -0.660) 9.935 5.322 ( 2.875 -9.567 -0.860) 10.027 5.322 ( 2.875 9.567 -0.860) 10.027 5.847 ( -7.461 -4.173 -2.620) 8.941 5.847 ( -7.461 4.173 -2.620) 8.941 6.213 ( 0.003 -5.251 -4.524) 6.931 6.213 ( 0.003 5.251 -4.524) 6.931 6.701 ( -4.724 -3.600 0.523) 5.962 6.701 ( -4.724 3.600 0.523) 5.962 7.616 ( 19.637 -5.777 0.123) 20.470 7.616 ( 19.637 5.777 0.123) 20.470 8.280 ( 10.008 -4.769 -3.664) 11.675 8.280 ( 10.008 4.769 -3.664) 11.675 8.853 ( -1.848 -6.191 6.803) 9.382 8.853 ( -1.848 6.191 6.803) 9.382 9.607 ( -13.282 -1.503 3.793) 13.895 9.607 ( -13.282 1.503 3.793) 13.895 11.100 ( 3.944 -11.064 3.136) 12.157 11.100 ( 3.944 11.064 3.136) 12.157 11.349 ( 2.986 -4.811 -1.725) 5.919 11.349 ( 2.986 4.811 -1.725) 5.919 11.541 ( -1.545 -3.250 -8.982) 9.676 11.541 ( -1.545 3.250 -8.982) 9.676 11.973 ( -5.608 -6.313 -4.050) 9.365 11.973 ( -5.608 6.313 -4.050) 9.365 13.068 ( 7.333 -15.996 -0.186) 17.597 13.068 ( 7.333 15.996 -0.186) 17.597 13.777 ( 0.042 -7.235 -4.206) 8.369 13.777 ( 0.042 7.235 -4.206) 8.369 14.011 ( 8.514 -5.870 10.274) 14.577 14.011 ( 8.514 5.870 10.274) 14.577 14.525 ( -0.130 -1.709 3.104) 3.546 14.525 ( -0.130 1.709 3.104) 3.546 15.177 ( 3.360 -2.089 -2.804) 4.849 15.177 ( 3.360 2.089 -2.804) 4.849 15.668 ( 2.502 -5.403 0.274) 5.960 15.668 ( 2.502 5.403 0.274) 5.960 17.426 ( -1.076 -4.025 2.503) 4.860 17.426 ( -1.076 4.025 2.503) 4.860 17.885 ( -5.243 -0.367 -1.543) 5.477 17.885 ( -5.243 0.367 -1.543) 5.477 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 5.414 -6.524 10.151) 13.225 1.987 ( 5.414 6.524 10.151) 13.225 2.193 ( -1.467 -8.808 6.015) 10.766 2.193 ( -1.467 8.808 6.015) 10.766 2.442 ( 0.470 -9.366 1.420) 9.484 2.442 ( 0.470 9.366 1.420) 9.484 2.508 ( -2.513 -10.512 -4.514) 11.713 2.508 ( -2.513 10.512 -4.514) 11.713 3.070 ( 3.616 -0.635 -3.979) 5.414 3.070 ( 3.616 0.635 -3.979) 5.414 3.385 ( -8.772 -3.301 -7.278) 11.867 3.385 ( -8.772 3.301 -7.278) 11.867 3.881 ( 3.181 -3.655 -4.688) 6.742 3.881 ( 3.181 3.655 -4.688) 6.742 4.441 ( -16.829 -9.699 -13.190) 23.479 4.441 ( -16.829 9.699 -13.190) 23.479 4.969 ( 11.150 -11.838 2.576) 16.465 4.969 ( 11.150 11.838 2.576) 16.465 5.305 ( -2.337 -6.970 2.943) 7.919 5.305 ( -2.337 6.970 2.943) 7.919 5.419 ( 8.879 -7.592 -6.145) 13.201 5.419 ( 8.879 7.592 -6.145) 13.201 5.730 ( -4.630 -11.934 -3.023) 13.153 5.730 ( -4.630 11.934 -3.023) 13.153 6.256 ( 4.580 -5.079 5.600) 8.839 6.256 ( 4.580 5.079 5.600) 8.839 6.572 ( -7.458 -2.481 4.547) 9.081 6.572 ( -7.458 2.481 4.547) 9.081 8.001 ( 16.552 -5.869 3.930) 17.996 8.001 ( 16.552 5.869 3.930) 17.996 8.427 ( 1.142 -8.342 3.320) 9.051 8.427 ( 1.142 8.342 3.320) 9.051 8.851 ( 3.937 -3.177 -0.431) 5.077 8.851 ( 3.937 3.177 -0.431) 5.077 9.316 ( -13.891 -2.569 0.367) 14.131 9.316 ( -13.891 2.569 0.367) 14.131 11.193 ( 4.588 -9.955 2.110) 11.163 11.193 ( 4.588 9.955 2.110) 11.163 11.361 ( -1.997 -1.561 -2.473) 3.542 11.361 ( -1.997 1.561 -2.473) 3.542 11.552 ( 3.272 -8.439 -7.748) 11.914 11.552 ( 3.272 8.439 -7.748) 11.914 11.834 ( -7.448 -7.629 -1.877) 10.826 11.834 ( -7.448 7.629 -1.877) 10.826 13.261 ( 10.236 -15.911 -4.196) 19.379 13.261 ( 10.236 15.911 -4.196) 19.379 13.655 ( -7.990 -9.387 -9.886) 15.802 13.655 ( -7.990 9.387 -9.886) 15.802 14.273 ( 11.951 -9.333 11.441) 18.996 14.273 ( 11.951 9.333 11.441) 18.996 14.542 ( 0.057 -6.601 5.781) 8.775 14.542 ( 0.057 6.601 5.781) 8.775 15.257 ( 6.018 -5.331 4.418) 9.174 15.257 ( 6.018 5.331 4.418) 9.174 15.643 ( -5.655 -6.551 2.529) 9.016 15.643 ( -5.655 6.551 2.529) 9.016 17.457 ( 4.266 -3.500 -2.292) 5.975 17.457 ( 4.266 3.500 -2.292) 5.975 17.752 ( -7.280 -1.128 -3.538) 8.172 17.752 ( -7.280 1.128 -3.538) 8.172 ======================= Grid point 224 (80/100) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -5.262 -11.719 9.440) 15.942 2.107 ( 4.816 -11.671 9.440) 15.765 2.107 ( -4.816 11.671 9.440) 15.765 2.107 ( 5.262 11.719 9.440) 15.942 2.470 ( -1.511 -11.889 -1.996) 12.149 2.470 ( 1.364 -11.884 -1.996) 12.128 2.470 ( -1.364 11.884 -1.996) 12.128 2.470 ( 1.511 11.889 -1.996) 12.149 3.192 ( -7.332 -4.892 -3.300) 9.412 3.192 ( -0.777 -3.263 -3.300) 4.706 3.192 ( 0.777 3.263 -3.300) 4.706 3.192 ( 7.332 4.892 -3.300) 9.412 4.090 ( -14.070 -5.942 -13.799) 20.583 4.090 ( -7.835 -1.077 -13.799) 15.904 4.090 ( 7.835 1.077 -13.799) 15.904 4.090 ( 14.070 5.942 -13.799) 20.583 5.179 ( -7.620 -13.584 2.104) 15.716 5.179 ( 5.757 -13.352 2.104) 14.692 5.179 ( -5.757 13.352 2.104) 14.692 5.179 ( 7.620 13.584 2.104) 15.716 5.606 ( -7.612 -13.831 -4.716) 16.476 5.606 ( 7.551 -13.822 -4.716) 16.441 5.606 ( -7.551 13.822 -4.716) 16.441 5.606 ( 7.612 13.831 -4.716) 16.476 6.400 ( -8.117 -0.508 7.758) 11.239 6.400 ( -8.055 0.090 7.758) 11.184 6.400 ( 8.055 -0.090 7.758) 11.184 6.400 ( 8.117 0.508 7.758) 11.239 8.301 ( -8.063 -15.668 6.668) 18.840 8.301 ( 2.135 -15.178 6.668) 16.715 8.301 ( -2.135 15.178 6.668) 16.715 8.301 ( 8.063 15.668 6.668) 18.840 9.037 ( -10.927 -4.430 -2.948) 12.154 9.037 ( -7.210 -1.665 -2.948) 7.965 9.037 ( 7.210 1.665 -2.948) 7.965 9.037 ( 10.927 4.430 -2.948) 12.154 11.287 ( -3.488 -8.737 -1.407) 9.512 11.287 ( 2.417 -8.646 -1.407) 9.087 11.287 ( -2.417 8.646 -1.407) 9.087 11.287 ( 3.488 8.737 -1.407) 9.512 11.672 ( -7.248 -9.434 -3.406) 12.375 11.672 ( 6.596 -9.313 -3.406) 11.910 11.672 ( -6.596 9.313 -3.406) 11.910 11.672 ( 7.248 9.434 -3.406) 12.375 13.472 ( -6.012 -25.295 -6.935) 26.908 13.472 ( 3.499 -25.176 -6.935) 26.348 13.472 ( -3.499 25.176 -6.935) 26.348 13.472 ( 6.012 25.295 -6.935) 26.908 14.472 ( -6.619 -10.314 6.419) 13.834 14.472 ( 6.239 -10.254 6.419) 13.611 14.472 ( -6.239 10.254 6.419) 13.611 14.472 ( 6.619 10.314 6.419) 13.834 15.451 ( -10.550 -7.828 6.626) 14.714 15.451 ( 4.072 -6.132 6.626) 9.904 15.451 ( -4.072 6.132 6.626) 9.904 15.451 ( 10.550 7.828 6.626) 14.714 17.590 ( -7.447 -2.614 -4.483) 9.077 17.590 ( -5.548 0.813 -4.483) 7.179 17.590 ( 5.548 -0.813 -4.483) 7.179 17.590 ( 7.447 2.614 -4.483) 9.077 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 0.000 6.639) 6.639 1.676 ( 0.000 0.000 -7.665) 7.665 1.987 ( 0.000 0.000 20.763) 20.763 2.238 ( 0.000 0.000 5.526) 5.526 2.371 ( 0.000 0.000 -18.203) 18.203 2.467 ( 0.000 0.000 -15.658) 15.658 2.552 ( 0.000 0.000 1.430) 1.430 2.584 ( 0.000 0.000 -0.493) 0.493 3.210 ( 0.000 0.000 9.951) 9.951 3.391 ( 0.000 0.000 -6.812) 6.812 3.405 ( 0.000 0.000 -0.900) 0.900 3.428 ( 0.000 0.000 -3.099) 3.099 3.964 ( 0.000 0.000 23.348) 23.348 4.298 ( 0.000 0.000 -12.301) 12.301 4.427 ( 0.000 0.000 12.823) 12.823 4.617 ( 0.000 0.000 -5.018) 5.018 4.898 ( 0.000 0.000 26.082) 26.082 4.974 ( 0.000 0.000 13.623) 13.623 5.134 ( 0.000 0.000 -3.203) 3.203 5.159 ( 0.000 0.000 -6.395) 6.395 5.255 ( 0.000 0.000 -12.366) 12.366 5.506 ( 0.000 0.000 -21.943) 21.943 5.769 ( 0.000 0.000 -0.694) 0.694 5.961 ( 0.000 0.000 -3.254) 3.254 5.977 ( 0.000 0.000 -4.160) 4.160 5.978 ( 0.000 0.000 -11.580) 11.580 6.919 ( 0.000 0.000 1.906) 1.906 6.923 ( 0.000 0.000 12.595) 12.595 6.975 ( 0.000 0.000 -3.783) 3.783 7.139 ( 0.000 0.000 -9.087) 9.087 7.920 ( 0.000 0.000 -1.453) 1.453 7.920 ( 0.000 0.000 -1.424) 1.424 8.894 ( 0.000 0.000 5.822) 5.822 8.986 ( 0.000 0.000 -3.243) 3.243 10.176 ( 0.000 0.000 5.865) 5.865 10.215 ( 0.000 0.000 2.102) 2.102 10.433 ( 0.000 0.000 7.206) 7.206 10.548 ( 0.000 0.000 -4.541) 4.541 11.196 ( 0.000 0.000 11.429) 11.429 11.447 ( 0.000 0.000 -0.213) 0.213 11.465 ( 0.000 0.000 -15.191) 15.191 11.535 ( 0.000 0.000 -8.917) 8.917 11.951 ( 0.000 0.000 3.983) 3.983 12.092 ( 0.000 0.000 -10.117) 10.117 12.722 ( 0.000 0.000 23.071) 23.071 13.202 ( 0.000 0.000 -24.257) 24.257 13.528 ( 0.000 0.000 28.370) 28.370 13.650 ( 0.000 0.000 23.370) 23.370 14.050 ( 0.000 0.000 -23.617) 23.617 14.102 ( 0.000 0.000 -20.936) 20.936 14.713 ( 0.000 0.000 1.271) 1.271 14.764 ( 0.000 0.000 -3.694) 3.694 15.002 ( 0.000 0.000 1.833) 1.833 15.014 ( 0.000 0.000 0.215) 0.215 15.670 ( 0.000 0.000 3.709) 3.709 15.695 ( 0.000 0.000 1.472) 1.472 17.650 ( 0.000 0.000 7.749) 7.749 17.763 ( 0.000 0.000 -3.941) 3.941 17.819 ( 0.000 0.000 1.792) 1.792 17.865 ( 0.000 0.000 -2.737) 2.737 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 1.422 0.000 3.851) 4.105 1.660 ( -1.835 0.000 -6.373) 6.632 2.001 ( 1.068 0.000 14.841) 14.879 2.188 ( -2.168 0.000 -2.991) 3.694 2.474 ( 7.107 0.000 -5.556) 9.021 2.571 ( 2.051 0.000 3.040) 3.667 2.597 ( 10.376 0.000 -13.597) 17.104 2.627 ( 4.071 0.000 -1.180) 4.238 3.174 ( -2.937 0.000 8.167) 8.679 3.314 ( -6.670 0.000 -4.758) 8.193 3.405 ( -0.044 0.000 0.527) 0.529 3.454 ( 1.496 0.000 -4.169) 4.429 3.956 ( -0.388 0.000 17.209) 17.214 4.201 ( -8.360 0.000 -9.599) 12.729 4.243 ( -12.488 0.000 15.771) 20.117 4.534 ( -7.878 0.000 -12.665) 14.915 4.794 ( -7.401 0.000 23.915) 25.034 5.100 ( -2.848 0.000 -5.492) 6.187 5.103 ( 9.683 0.000 12.586) 15.880 5.226 ( 6.411 0.000 -1.326) 6.546 5.299 ( 2.631 0.000 -6.650) 7.151 5.569 ( 2.163 0.000 -30.742) 30.818 5.793 ( 4.036 0.000 11.494) 12.182 5.814 ( -11.327 0.000 -0.553) 11.341 5.883 ( -7.420 0.000 -7.018) 10.213 6.051 ( 5.515 0.000 -12.845) 13.979 6.873 ( -3.744 0.000 2.873) 4.720 6.937 ( -3.628 0.000 -3.654) 5.149 7.086 ( 13.180 0.000 11.159) 17.270 7.277 ( 11.213 0.000 -7.926) 13.732 7.968 ( 5.936 0.000 1.568) 6.140 8.036 ( 9.566 0.000 -5.141) 10.860 8.897 ( 1.155 0.000 8.736) 8.812 9.044 ( 4.142 0.000 -5.844) 7.163 10.085 ( -8.316 0.000 5.132) 9.772 10.113 ( -9.245 0.000 2.423) 9.557 10.484 ( 4.648 0.000 7.792) 9.073 10.605 ( 5.105 0.000 -4.429) 6.759 11.193 ( -0.033 0.000 9.782) 9.782 11.435 ( -2.520 0.000 -14.141) 14.363 11.475 ( 2.457 0.000 1.827) 3.061 11.606 ( 5.513 0.000 -10.927) 12.240 11.932 ( -1.209 0.000 4.550) 4.708 12.081 ( -0.899 0.000 -10.481) 10.519 12.543 ( -13.880 0.000 21.723) 25.779 13.003 ( -15.914 0.000 -24.293) 29.042 13.631 ( 9.028 0.000 26.486) 27.982 13.858 ( 16.334 0.000 22.262) 27.611 14.111 ( 5.255 0.000 -21.281) 21.921 14.258 ( 10.769 0.000 -17.192) 20.286 14.753 ( 4.184 0.000 2.875) 5.076 14.846 ( 8.070 0.000 -6.661) 10.464 14.938 ( -3.217 0.000 8.104) 8.719 15.071 ( 2.142 0.000 -5.402) 5.811 15.658 ( 0.075 0.000 6.507) 6.508 15.742 ( 3.735 0.000 -2.449) 4.466 17.604 ( -4.273 0.000 7.679) 8.788 17.720 ( -4.056 0.000 -4.249) 5.874 17.772 ( -4.347 0.000 0.729) 4.408 17.799 ( -5.960 0.000 -1.944) 6.269 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -4.532 0.000 -0.970) 4.634 1.588 ( -4.900 0.000 -4.829) 6.879 2.029 ( 1.591 0.000 7.017) 7.196 2.158 ( -1.034 0.000 -5.860) 5.950 2.620 ( 5.866 0.000 4.980) 7.694 2.652 ( 5.811 0.000 6.778) 8.928 2.751 ( 7.350 0.000 -1.993) 7.616 2.813 ( 8.476 0.000 -12.268) 14.912 3.098 ( -4.579 0.000 3.204) 5.589 3.153 ( -7.453 0.000 -1.975) 7.710 3.382 ( -2.563 0.000 1.982) 3.240 3.454 ( -2.033 0.000 -4.799) 5.212 3.973 ( 2.437 0.000 2.973) 3.844 4.009 ( -7.943 0.000 -2.002) 8.191 4.035 ( -5.698 0.000 14.072) 15.182 4.347 ( -8.628 0.000 -16.672) 18.773 4.653 ( -5.189 0.000 26.826) 27.323 5.080 ( 0.307 0.000 -12.682) 12.685 5.298 ( 3.196 0.000 5.355) 6.236 5.311 ( 2.420 0.000 3.046) 3.890 5.378 ( 7.794 0.000 -1.188) 7.884 5.533 ( -3.674 0.000 -16.485) 16.890 5.566 ( -10.601 0.000 4.661) 11.581 5.750 ( -4.065 0.000 -11.296) 12.005 5.929 ( 6.403 0.000 7.458) 9.829 6.147 ( 2.214 0.000 -12.234) 12.432 6.788 ( -3.558 0.000 3.755) 5.172 6.843 ( -4.430 0.000 -1.769) 4.770 7.389 ( 14.098 0.000 8.823) 16.631 7.529 ( 11.342 0.000 -5.239) 12.493 8.167 ( 12.760 0.000 4.790) 13.629 8.301 ( 14.808 0.000 -8.553) 17.100 8.947 ( 3.219 0.000 9.933) 10.441 9.119 ( 2.376 0.000 -6.969) 7.363 9.845 ( -14.241 0.000 3.874) 14.758 9.854 ( -14.186 0.000 2.654) 14.432 10.610 ( 6.597 0.000 8.986) 11.147 10.737 ( 6.496 0.000 -3.632) 7.442 11.210 ( 2.016 0.000 5.887) 6.223 11.386 ( -1.070 0.000 -11.691) 11.740 11.529 ( 2.331 0.000 4.057) 4.678 11.703 ( 2.337 0.000 -12.673) 12.887 11.936 ( 2.176 0.000 3.395) 4.033 12.067 ( -0.177 0.000 -9.574) 9.575 12.229 ( -14.795 0.000 17.815) 23.157 12.628 ( -18.594 0.000 -21.982) 28.791 13.864 ( 12.068 0.000 21.675) 24.808 14.205 ( 14.270 0.000 14.584) 20.404 14.243 ( 6.596 0.000 -15.975) 17.283 14.436 ( 5.488 0.000 -8.898) 10.454 14.869 ( -3.376 0.000 12.507) 12.954 14.911 ( 11.279 0.000 7.658) 13.633 15.077 ( -1.912 0.000 -8.104) 8.326 15.098 ( 14.568 0.000 -10.670) 18.057 15.701 ( 4.512 0.000 9.201) 10.248 15.854 ( 6.730 0.000 -6.774) 9.549 17.480 ( -6.965 0.000 7.007) 9.880 17.598 ( -7.293 0.000 -4.868) 8.768 17.634 ( -8.799 0.000 -0.573) 8.818 17.649 ( -7.128 0.000 -1.955) 7.391 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -6.575 0.000 -2.126) 6.910 1.450 ( -7.369 0.000 -5.375) 9.121 2.065 ( 1.739 0.000 1.197) 2.111 2.133 ( -1.390 0.000 -5.517) 5.689 2.718 ( 3.905 0.000 8.892) 9.711 2.804 ( 7.840 0.000 8.566) 11.612 2.897 ( -1.817 0.000 -2.839) 3.371 2.904 ( 5.872 0.000 -0.078) 5.873 2.994 ( -2.784 0.000 -5.775) 6.411 3.032 ( -4.097 0.000 -4.344) 5.971 3.311 ( -3.017 0.000 0.741) 3.107 3.382 ( -4.047 0.000 -5.467) 6.802 3.930 ( 0.872 0.000 5.604) 5.671 3.999 ( 1.337 0.000 6.459) 6.596 4.038 ( 1.866 0.000 -4.441) 4.818 4.186 ( -6.720 0.000 -12.149) 13.884 4.613 ( 2.638 0.000 20.645) 20.813 5.016 ( -8.273 0.000 -19.044) 20.763 5.227 ( -3.355 0.000 5.221) 6.206 5.305 ( -6.644 0.000 -2.077) 6.961 5.527 ( 5.778 0.000 7.957) 9.834 5.528 ( 4.749 0.000 1.182) 4.894 5.546 ( 7.487 0.000 -1.893) 7.723 5.698 ( -1.945 0.000 -8.476) 8.696 6.000 ( 0.246 0.000 1.303) 1.326 6.112 ( -5.229 0.000 -8.144) 9.678 6.748 ( -0.263 0.000 3.663) 3.673 6.778 ( -1.634 0.000 0.624) 1.749 7.641 ( 9.173 0.000 5.840) 10.874 7.716 ( 5.775 0.000 -1.687) 6.016 8.485 ( 16.475 0.000 5.964) 17.521 8.624 ( 14.623 0.000 -8.062) 16.698 9.014 ( 2.517 0.000 7.044) 7.480 9.131 ( -1.434 0.000 -4.456) 4.681 9.516 ( -15.124 0.000 4.186) 15.693 9.551 ( -14.029 0.000 0.310) 14.032 10.734 ( 4.846 0.000 8.002) 9.355 10.832 ( 1.705 0.000 -1.608) 2.344 11.286 ( 5.503 0.000 5.179) 7.556 11.429 ( 4.375 0.000 -8.745) 9.778 11.576 ( 2.385 0.000 2.539) 3.483 11.696 ( -2.263 0.000 -8.211) 8.518 11.957 ( -9.534 0.000 9.815) 13.683 12.004 ( 3.359 0.000 -1.779) 3.801 12.070 ( 0.090 0.000 -7.276) 7.277 12.246 ( -17.074 0.000 -18.123) 24.899 14.109 ( 10.778 0.000 16.029) 19.316 14.351 ( 2.345 0.000 -6.566) 6.972 14.418 ( 6.320 0.000 5.053) 8.091 14.503 ( 1.291 0.000 -3.767) 3.982 14.811 ( -0.988 0.000 8.545) 8.602 14.992 ( -5.737 0.000 -7.843) 9.717 15.204 ( 14.531 0.000 10.180) 17.743 15.374 ( 9.434 0.000 -6.370) 11.383 15.845 ( 8.355 0.000 9.344) 12.534 15.987 ( 4.498 0.000 -4.874) 6.632 17.342 ( -5.079 0.000 4.194) 6.587 17.431 ( -7.804 0.000 -4.596) 9.057 17.461 ( -6.444 0.000 -1.171) 6.549 17.497 ( -6.713 0.000 -4.356) 8.002 ======================= Grid point 256 (85/100) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -1.063 0.000 -3.896) 4.038 1.346 ( 1.063 0.000 -3.896) 4.038 2.101 ( -1.674 0.000 -3.319) 3.717 2.101 ( 1.674 0.000 -3.319) 3.717 2.804 ( -4.598 0.000 7.232) 8.570 2.804 ( 4.598 0.000 7.232) 8.570 2.936 ( -3.349 0.000 6.230) 7.073 2.936 ( 3.349 0.000 6.230) 7.073 2.983 ( -0.706 0.000 -8.811) 8.839 2.983 ( 0.706 0.000 -8.811) 8.839 3.305 ( -2.564 0.000 -4.666) 5.324 3.305 ( 2.564 0.000 -4.666) 5.324 4.003 ( -4.286 0.000 4.351) 6.107 4.003 ( 4.286 0.000 4.351) 6.107 4.065 ( -4.646 0.000 -2.821) 5.435 4.065 ( 4.646 0.000 -2.821) 5.435 4.780 ( -11.760 0.000 -3.224) 12.194 4.780 ( 11.760 0.000 -3.224) 12.194 5.207 ( -1.877 0.000 2.399) 3.046 5.207 ( 1.877 0.000 2.399) 3.046 5.633 ( -1.329 0.000 0.290) 1.360 5.633 ( 1.329 0.000 0.290) 1.360 5.638 ( -4.096 0.000 -1.163) 4.258 5.638 ( 4.096 0.000 -1.163) 4.258 6.001 ( -2.559 0.000 -3.219) 4.112 6.001 ( 2.559 0.000 -3.219) 4.112 6.757 ( -0.725 0.000 2.475) 2.579 6.757 ( 0.725 0.000 2.475) 2.579 7.759 ( -1.826 0.000 2.200) 2.859 7.759 ( 1.826 0.000 2.200) 2.859 8.777 ( -6.242 0.000 1.078) 6.334 8.777 ( 6.242 0.000 1.078) 6.334 9.055 ( -4.175 0.000 0.659) 4.227 9.055 ( 4.175 0.000 0.659) 4.227 9.344 ( -2.194 0.000 0.606) 2.276 9.344 ( 2.194 0.000 0.606) 2.276 10.814 ( -2.723 0.000 3.147) 4.162 10.814 ( 2.723 0.000 3.147) 4.162 11.429 ( -5.945 0.000 3.542) 6.920 11.429 ( 5.945 0.000 3.542) 6.920 11.635 ( -3.112 0.000 -2.292) 3.865 11.635 ( 3.112 0.000 -2.292) 3.865 11.946 ( -9.448 0.000 -9.607) 13.474 11.946 ( 9.448 0.000 -9.607) 13.474 12.057 ( -1.503 0.000 -5.068) 5.286 12.057 ( 1.503 0.000 -5.068) 5.286 14.301 ( -6.722 0.000 8.292) 10.674 14.301 ( 6.722 0.000 8.292) 10.674 14.498 ( -1.793 0.000 -0.127) 1.798 14.498 ( 1.793 0.000 -0.127) 1.798 14.864 ( -5.444 0.000 -3.482) 6.462 14.864 ( 5.444 0.000 -3.482) 6.462 15.428 ( -4.846 0.000 3.648) 6.065 15.428 ( 4.846 0.000 3.648) 6.065 15.994 ( -4.193 0.000 3.511) 5.469 15.994 ( 4.194 0.000 3.511) 5.469 17.310 ( -2.569 0.000 -1.205) 2.837 17.310 ( 2.569 0.000 -1.205) 2.837 17.402 ( -1.288 0.000 -3.965) 4.169 17.402 ( 1.288 0.000 -3.965) 4.169 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.000 2.449 3.222) 4.047 1.660 ( 0.000 0.121 -7.866) 7.867 2.031 ( 0.000 4.250 19.093) 19.561 2.308 ( 0.000 5.259 9.756) 11.083 2.387 ( 0.000 2.631 -13.326) 13.583 2.500 ( 0.000 0.249 -4.075) 4.083 2.597 ( 0.000 4.628 -9.856) 10.888 2.629 ( 0.000 3.604 -4.067) 5.434 3.035 ( 0.000 -11.085 7.666) 13.477 3.224 ( 0.000 -10.923 -10.243) 14.974 3.482 ( 0.000 -2.398 3.615) 4.338 3.542 ( 0.000 6.244 -2.928) 6.897 3.937 ( 0.000 2.096 16.450) 16.583 4.202 ( 0.000 -5.710 -11.000) 12.394 4.535 ( 0.000 8.528 10.470) 13.503 4.702 ( 0.000 6.768 -5.458) 8.694 4.879 ( 0.000 1.064 30.445) 30.464 4.988 ( 0.000 1.199 15.028) 15.076 5.107 ( 0.000 -2.022 -2.435) 3.165 5.117 ( 0.000 -3.617 -5.263) 6.386 5.312 ( 0.000 3.572 -14.093) 14.539 5.494 ( 0.000 -0.855 -14.358) 14.383 5.737 ( 0.000 -2.578 -7.319) 7.760 5.908 ( 0.000 -3.700 -9.776) 10.453 6.124 ( 0.000 11.044 -2.666) 11.362 6.147 ( 0.000 12.536 -5.811) 13.817 6.702 ( 0.000 -11.693 5.585) 12.958 6.795 ( 0.000 -13.274 -4.361) 13.972 7.016 ( 0.000 1.180 6.797) 6.899 7.159 ( 0.000 -0.997 -6.961) 7.032 7.927 ( 0.000 0.599 -1.490) 1.606 7.928 ( 0.000 0.668 -1.455) 1.601 8.917 ( 0.000 2.214 5.783) 6.192 8.999 ( 0.000 1.182 -2.160) 2.462 10.139 ( 0.000 -3.156 4.927) 5.852 10.167 ( 0.000 -4.043 2.165) 4.586 10.544 ( 0.000 10.171 6.852) 12.264 10.657 ( 0.000 9.645 -4.735) 10.745 11.233 ( 0.000 3.070 11.227) 11.639 11.405 ( 0.000 -3.658 0.649) 3.715 11.494 ( 0.000 2.143 -14.435) 14.593 11.504 ( 0.000 -2.875 -9.045) 9.491 11.948 ( 0.000 0.005 3.021) 3.021 12.068 ( 0.000 -1.803 -8.904) 9.085 12.816 ( 0.000 7.897 20.696) 22.152 13.239 ( 0.000 2.162 -19.425) 19.545 13.503 ( 0.000 -1.313 26.535) 26.567 13.658 ( 0.000 1.696 16.720) 16.806 14.072 ( 0.000 2.256 -20.857) 20.979 14.116 ( 0.000 0.919 -17.362) 17.386 14.569 ( 0.000 -13.003 4.358) 13.714 14.676 ( 0.000 -7.725 -5.836) 9.682 14.952 ( 0.000 -4.719 0.574) 4.754 14.978 ( 0.000 -3.502 -1.652) 3.872 15.681 ( 0.000 0.911 4.276) 4.372 15.706 ( 0.000 0.798 1.835) 2.001 17.613 ( 0.000 -2.390 6.492) 6.918 17.706 ( 0.000 -3.892 -3.240) 5.064 17.880 ( 0.000 4.597 1.949) 4.993 17.921 ( 0.000 3.756 -1.900) 4.209 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.12 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 3.101 3.689 1.274) 4.985 1.676 ( 1.189 2.433 -7.034) 7.537 2.034 ( 0.429 3.314 15.127) 15.492 2.243 ( -3.049 4.789 -1.232) 5.809 2.499 ( 6.963 1.665 -1.389) 7.293 2.542 ( 3.284 -2.407 2.533) 4.795 2.590 ( 1.006 0.806 -5.981) 6.118 2.742 ( 7.997 6.835 -9.934) 14.469 3.005 ( -2.353 -10.679 6.192) 12.567 3.154 ( -5.882 -10.339 -7.581) 14.105 3.471 ( -0.981 -2.244 4.231) 4.889 3.558 ( 0.423 3.811 -4.433) 5.862 3.940 ( 0.455 3.836 11.349) 11.988 4.127 ( -6.167 -2.648 -8.422) 10.769 4.345 ( -13.303 7.939 14.601) 21.288 4.615 ( -7.746 5.897 -11.394) 14.986 4.784 ( -6.436 1.238 24.677) 25.533 5.007 ( 0.819 -4.390 1.594) 4.742 5.089 ( -0.016 -3.122 1.366) 3.408 5.281 ( 9.249 3.280 3.335) 10.365 5.314 ( 0.206 -0.738 -9.912) 9.941 5.549 ( 3.623 -1.742 -11.490) 12.173 5.727 ( -0.742 -0.566 -5.826) 5.900 5.844 ( -7.901 0.285 -6.712) 10.371 6.051 ( -3.475 9.270 -0.632) 9.920 6.130 ( 2.688 6.830 -8.124) 10.949 6.746 ( 0.241 -8.486 2.395) 8.821 6.803 ( -0.616 -9.978 -3.134) 10.477 7.140 ( 11.797 2.515 8.239) 14.607 7.290 ( 11.654 0.035 -6.608) 13.397 7.977 ( 5.870 0.806 1.145) 6.035 8.036 ( 8.958 -0.034 -4.710) 10.120 8.915 ( 0.425 1.697 8.284) 8.467 9.044 ( 3.117 -0.062 -4.402) 5.395 10.044 ( -8.649 -3.502 4.380) 10.308 10.063 ( -9.383 -4.201 2.411) 10.559 10.593 ( 4.454 9.963 7.369) 13.169 10.710 ( 4.799 9.359 -4.611) 11.484 11.234 ( 0.122 3.468 9.558) 10.168 11.431 ( 1.311 -2.742 0.400) 3.065 11.470 ( -1.461 1.499 -11.695) 11.881 11.556 ( 4.173 -4.488 -10.043) 11.765 11.925 ( -1.616 -0.253 3.503) 3.866 12.051 ( -1.480 -2.106 -9.034) 9.394 12.657 ( -11.815 9.674 18.793) 24.215 13.060 ( -13.951 4.587 -20.658) 25.346 13.615 ( 8.995 -0.747 23.142) 24.840 13.841 ( 14.227 -1.565 15.359) 20.994 14.109 ( 5.128 -0.002 -13.464) 14.408 14.277 ( 9.779 1.407 -15.156) 18.092 14.611 ( 4.050 -12.754 4.812) 14.221 14.746 ( 6.599 -8.042 -8.588) 13.490 14.900 ( -1.410 -3.283 7.597) 8.395 15.051 ( 3.782 -2.667 -7.530) 8.838 15.673 ( 0.058 1.137 5.954) 6.062 15.738 ( 2.758 -0.382 -1.118) 3.000 17.566 ( -4.207 -2.292 6.231) 7.860 17.656 ( -4.534 -3.843 -3.169) 6.736 17.838 ( -3.936 4.868 1.167) 6.368 17.868 ( -4.823 4.384 -1.644) 6.722 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.504 8.604 -1.721) 8.789 1.684 ( -1.103 8.707 -4.967) 10.085 2.046 ( 0.588 1.830 8.185) 8.408 2.190 ( -2.475 3.507 -4.135) 5.960 2.612 ( 4.206 -5.026 8.575) 10.793 2.627 ( 4.241 0.392 3.884) 5.764 2.669 ( 6.589 -4.539 -2.649) 8.429 2.870 ( 1.377 -3.902 -7.680) 8.724 2.980 ( 1.479 -1.787 -1.446) 2.734 3.030 ( -4.569 -7.532 -4.184) 9.753 3.427 ( -3.607 -1.068 3.108) 4.879 3.515 ( -4.523 -1.079 -5.692) 7.350 3.929 ( -2.860 1.441 5.092) 6.015 4.000 ( -4.863 3.490 -3.155) 6.767 4.129 ( -4.863 7.198 12.028) 14.837 4.428 ( -8.987 6.049 -16.620) 19.839 4.653 ( -5.044 0.347 23.816) 24.347 5.017 ( -1.430 -6.264 -8.655) 10.779 5.142 ( 5.073 -3.970 2.075) 6.768 5.220 ( -2.377 -5.704 -4.784) 7.815 5.516 ( 4.428 2.253 0.433) 4.987 5.537 ( -2.609 -1.793 -0.588) 3.220 5.637 ( -6.065 3.078 -2.128) 7.126 5.754 ( 1.883 7.554 -7.719) 10.963 6.075 ( 4.326 7.113 3.368) 8.980 6.221 ( 3.839 6.058 -9.397) 11.821 6.708 ( -2.624 -5.745 2.606) 6.832 6.750 ( -3.487 -7.394 -1.589) 8.327 7.441 ( 14.668 4.480 7.551) 17.095 7.564 ( 12.533 2.928 -4.808) 13.740 8.170 ( 12.341 0.288 4.046) 12.990 8.290 ( 14.505 -1.141 -7.801) 16.509 8.941 ( 1.811 -0.458 9.481) 9.663 9.095 ( 1.297 -2.197 -5.643) 6.193 9.792 ( -14.968 -4.576 3.737) 16.091 9.805 ( -14.016 -4.168 2.082) 14.770 10.713 ( 6.261 9.404 8.422) 14.091 10.835 ( 6.187 8.780 -3.907) 11.430 11.245 ( 1.246 3.042 5.814) 6.679 11.404 ( -1.422 1.316 -9.194) 9.396 11.491 ( 1.838 -3.407 1.769) 4.256 11.628 ( 1.736 -6.424 -10.458) 12.395 11.895 ( -1.915 -2.302 3.966) 4.969 12.013 ( -2.047 -2.644 -8.002) 8.672 12.426 ( -8.498 14.757 12.142) 20.915 12.744 ( -14.744 10.153 -18.904) 26.035 13.844 ( 11.790 -2.165 18.425) 21.981 14.104 ( 8.996 -8.448 -1.024) 12.383 14.268 ( 8.439 0.316 1.413) 8.563 14.426 ( 4.216 -0.849 -8.274) 9.325 14.744 ( 7.215 -11.242 8.575) 15.873 14.828 ( 1.567 -6.318 7.040) 9.588 15.021 ( 10.485 -2.162 -5.293) 11.942 15.123 ( 4.892 -0.340 -9.160) 10.390 15.705 ( 3.328 -0.019 7.517) 8.221 15.826 ( 5.373 -2.697 -5.173) 7.931 17.451 ( -6.110 -1.471 5.278) 8.207 17.531 ( -6.674 -2.882 -3.128) 7.914 17.721 ( -6.922 5.324 -0.782) 8.768 17.730 ( -7.960 5.475 -1.494) 9.776 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.38 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -3.623 16.971 -1.350) 17.406 1.623 ( -3.932 14.470 -2.746) 15.244 2.064 ( 1.323 0.175 1.014) 1.676 2.138 ( -2.129 1.270 -5.099) 5.669 2.676 ( 2.381 -4.477 11.233) 12.325 2.758 ( 6.245 -5.111 5.347) 9.681 2.791 ( 1.956 -7.256 1.254) 7.619 2.859 ( 1.605 -7.745 -2.352) 8.252 2.978 ( -0.029 -2.399 -4.230) 4.863 3.008 ( -0.262 2.166 -9.384) 9.634 3.333 ( -4.008 0.434 3.287) 5.202 3.403 ( -5.263 -0.766 -3.779) 6.524 3.887 ( 0.273 -4.641 3.762) 5.980 3.946 ( 0.631 -0.338 -3.099) 3.181 4.052 ( -5.072 0.669 4.728) 6.966 4.239 ( -9.350 3.351 -13.270) 16.575 4.632 ( 3.693 2.897 14.733) 15.462 4.921 ( -6.161 -5.518 -12.983) 15.393 5.212 ( -1.199 -0.235 3.465) 3.674 5.246 ( 1.568 -1.492 0.414) 2.204 5.446 ( -0.826 0.103 0.901) 1.227 5.536 ( 4.860 -5.255 -7.474) 10.349 5.657 ( 0.331 3.820 7.820) 8.710 5.815 ( 2.325 10.454 -6.823) 12.698 6.145 ( 1.621 8.370 3.319) 9.149 6.248 ( -1.273 11.731 -5.926) 13.204 6.669 ( -0.645 -6.235 3.272) 7.071 6.693 ( -1.545 -7.192 0.814) 7.401 7.703 ( 9.515 6.184 5.182) 12.476 7.772 ( 6.515 5.606 -1.680) 8.757 8.482 ( 16.582 -0.438 5.773) 17.563 8.617 ( 15.577 -0.944 -7.735) 17.418 8.977 ( 1.050 -3.323 6.904) 7.734 9.086 ( -2.387 -4.295 -3.741) 6.176 9.455 ( -15.542 -5.169 3.930) 16.844 9.495 ( -14.587 -4.870 -0.306) 15.381 10.829 ( 4.432 8.597 7.290) 12.112 10.924 ( 1.386 8.253 -2.172) 8.646 11.303 ( 4.765 1.626 4.955) 7.064 11.423 ( 2.441 -0.766 -6.436) 6.926 11.530 ( 1.899 -4.686 1.567) 5.294 11.646 ( 1.590 -4.458 -9.893) 10.967 11.791 ( -7.586 -5.093 5.673) 10.755 11.952 ( -4.862 -4.545 -10.048) 12.053 12.332 ( -0.729 19.087 2.382) 19.249 12.483 ( -9.138 17.419 -12.485) 23.298 14.081 ( 10.095 -3.948 12.071) 16.224 14.234 ( 3.530 -11.285 -2.821) 12.156 14.399 ( 3.893 -3.583 2.434) 5.824 14.472 ( 0.524 -0.952 -2.383) 2.620 14.777 ( -0.122 -3.245 7.272) 7.964 14.906 ( -0.906 -7.509 -2.952) 8.119 15.194 ( 11.329 -0.053 6.811) 13.219 15.338 ( 9.786 -2.321 -5.943) 11.682 15.804 ( 5.434 -3.987 8.139) 10.567 15.927 ( 2.800 -5.586 -4.138) 7.495 17.347 ( -2.719 1.155 2.983) 4.198 17.412 ( -3.712 0.241 -3.831) 5.340 17.548 ( -8.525 5.578 -1.419) 10.286 17.565 ( -7.494 5.213 -3.205) 9.675 ======================= Grid point 265 (90/100) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -0.335 18.643 -1.212) 18.685 1.567 ( 0.335 18.643 -1.212) 18.685 2.099 ( -1.759 0.322 -3.665) 4.078 2.099 ( 1.759 0.322 -3.665) 4.078 2.733 ( -3.049 -6.167 7.131) 9.909 2.733 ( 3.049 -6.167 7.131) 9.909 2.870 ( -2.005 -6.170 -0.235) 6.492 2.870 ( 2.005 -6.170 -0.235) 6.492 3.003 ( -1.468 1.204 -3.826) 4.271 3.003 ( 1.468 1.204 -3.826) 4.271 3.313 ( -2.623 -0.127 -1.003) 2.811 3.313 ( 2.623 -0.127 -1.003) 2.811 3.935 ( -4.398 -4.861 3.436) 7.401 3.935 ( 4.398 -4.861 3.436) 7.401 4.047 ( -7.927 -2.900 -7.437) 11.249 4.047 ( 7.927 -2.900 -7.437) 11.249 4.770 ( -7.926 2.066 -1.467) 8.321 4.770 ( 7.926 2.066 -1.467) 8.321 5.205 ( -1.971 0.843 0.370) 2.176 5.205 ( 1.971 0.843 0.370) 2.176 5.537 ( -5.711 -3.214 4.486) 7.941 5.537 ( 5.711 -3.214 4.486) 7.941 5.755 ( -7.673 4.635 -5.775) 10.663 5.755 ( 7.673 4.635 -5.775) 10.663 6.191 ( -3.310 14.012 0.224) 14.399 6.191 ( 3.310 14.012 0.224) 14.399 6.674 ( -0.664 -7.267 2.505) 7.716 6.674 ( 0.664 -7.267 2.505) 7.716 7.824 ( -1.699 6.735 2.004) 7.229 7.824 ( 1.699 6.735 2.004) 7.229 8.797 ( -7.987 1.705 2.053) 8.421 8.797 ( 7.987 1.705 2.053) 8.421 8.987 ( -5.434 -6.573 -0.031) 8.528 8.987 ( 5.434 -6.573 -0.031) 8.528 9.276 ( -2.399 -6.005 0.083) 6.467 9.276 ( 2.399 -6.005 0.083) 6.467 10.903 ( -2.621 7.951 2.460) 8.725 10.903 ( 2.621 7.951 2.460) 8.725 11.418 ( -4.038 -1.210 1.405) 4.443 11.418 ( 4.038 -1.210 1.405) 4.443 11.599 ( -6.011 -3.024 2.840) 7.303 11.599 ( 6.011 -3.024 2.840) 7.303 11.795 ( -8.487 -5.709 -11.839) 15.645 11.795 ( 8.487 -5.709 -11.839) 15.645 12.361 ( -3.152 20.211 -4.575) 20.960 12.361 ( 3.152 20.211 -4.575) 20.960 14.237 ( -3.802 -8.510 3.534) 9.968 14.237 ( 3.802 -8.510 3.534) 9.968 14.453 ( -1.910 -2.307 3.858) 4.885 14.453 ( 1.910 -2.307 3.858) 4.885 14.824 ( -4.501 -3.900 -3.070) 6.700 14.824 ( 4.501 -3.900 -3.070) 6.700 15.400 ( -4.790 -1.446 3.533) 6.125 15.400 ( 4.790 -1.446 3.533) 6.125 15.911 ( -3.935 -7.514 3.070) 9.020 15.911 ( 3.935 -7.514 3.070) 9.020 17.361 ( -3.198 4.425 -1.057) 5.561 17.361 ( 3.198 4.425 -1.057) 5.561 17.446 ( -1.966 3.597 -3.598) 5.454 17.446 ( 1.966 3.597 -3.598) 5.454 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 8.512 0.653) 8.537 1.741 ( 0.000 7.966 -6.394) 10.215 2.115 ( 0.000 1.219 16.040) 16.086 2.384 ( 0.000 -10.723 8.475) 13.668 2.416 ( 0.000 6.777 14.091) 15.636 2.492 ( 0.000 6.418 -13.514) 14.961 2.678 ( 0.000 -0.476 -11.903) 11.912 2.705 ( 0.000 3.050 -13.737) 14.072 2.877 ( 0.000 -2.242 5.298) 5.753 3.029 ( 0.000 -6.452 -8.250) 10.473 3.281 ( 0.000 -12.200 8.191) 14.695 3.485 ( 0.000 -11.276 -10.779) 15.599 4.162 ( 0.000 16.960 5.790) 17.921 4.259 ( 0.000 11.509 -4.486) 12.353 4.676 ( 0.000 2.828 5.758) 6.415 4.770 ( 0.000 -3.333 -4.249) 5.400 4.975 ( 0.000 4.779 25.919) 26.356 4.998 ( 0.000 -0.533 10.982) 10.995 5.050 ( 0.000 0.943 4.109) 4.216 5.131 ( 0.000 5.929 3.409) 6.840 5.357 ( 0.000 0.328 -11.159) 11.163 5.444 ( 0.000 -5.316 8.283) 9.842 5.704 ( 0.000 0.596 -24.944) 24.952 5.818 ( 0.000 -4.387 -14.921) 15.553 6.221 ( 0.000 -4.785 0.464) 4.808 6.299 ( 0.000 -4.252 -7.833) 8.913 6.613 ( 0.000 6.612 -0.184) 6.615 6.620 ( 0.000 2.822 -0.840) 2.944 6.982 ( 0.000 -3.981 4.609) 6.090 7.075 ( 0.000 -6.843 -4.441) 8.158 7.939 ( 0.000 0.519 -1.485) 1.573 7.941 ( 0.000 0.492 -1.575) 1.650 8.975 ( 0.000 3.001 5.299) 6.090 9.024 ( 0.000 0.935 0.568) 1.094 10.070 ( 0.000 -3.004 3.305) 4.467 10.080 ( 0.000 -3.717 2.180) 4.309 10.804 ( 0.000 13.819 4.621) 14.571 10.887 ( 0.000 11.454 -4.155) 12.184 11.274 ( 0.000 -0.830 7.384) 7.431 11.303 ( 0.000 -6.138 1.094) 6.235 11.451 ( 0.000 -0.586 -6.312) 6.340 11.526 ( 0.000 0.318 -9.730) 9.735 11.961 ( 0.000 1.280 0.537) 1.388 12.031 ( 0.000 -1.838 -6.375) 6.635 12.974 ( 0.000 6.415 14.342) 15.712 13.218 ( 0.000 -4.633 -6.560) 8.032 13.554 ( 0.000 8.216 22.570) 24.019 13.768 ( 0.000 9.042 4.007) 9.890 14.108 ( 0.000 -2.759 -7.509) 8.000 14.142 ( 0.000 2.673 -14.539) 14.782 14.239 ( 0.000 -16.051 6.369) 17.268 14.489 ( 0.000 -9.768 -15.733) 18.519 14.841 ( 0.000 -4.781 0.526) 4.810 14.884 ( 0.000 -5.013 -3.380) 6.046 15.701 ( 0.000 0.918 4.403) 4.498 15.718 ( 0.000 0.220 2.691) 2.700 17.579 ( 0.000 -0.675 4.518) 4.568 17.632 ( 0.000 -3.057 -0.982) 3.211 17.968 ( 0.000 3.440 1.189) 3.639 17.988 ( 0.000 2.402 -0.654) 2.489 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.12 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 5.182 9.050 0.035) 10.429 1.794 ( 4.659 9.115 -6.062) 11.897 2.109 ( -0.426 2.171 15.462) 15.619 2.341 ( -2.672 2.332 9.728) 10.354 2.423 ( 1.046 -7.246 -2.885) 7.869 2.536 ( 1.155 2.541 -2.596) 3.812 2.631 ( -0.215 2.346 -8.494) 8.815 2.716 ( -2.691 -9.183 -4.233) 10.463 2.944 ( 5.328 1.985 -3.420) 6.635 2.979 ( -3.244 -4.176 -2.805) 5.986 3.283 ( 0.320 -10.363 5.382) 11.681 3.471 ( -2.148 -10.277 -10.688) 14.982 4.193 ( 1.905 17.300 3.261) 17.708 4.248 ( -1.323 13.268 -2.458) 13.558 4.504 ( -13.246 5.841 11.728) 18.631 4.674 ( -6.900 -0.933 -0.074) 6.963 4.872 ( -7.286 3.021 12.937) 15.152 4.948 ( -2.563 -0.915 3.039) 4.080 5.019 ( 0.258 -1.470 -3.417) 3.729 5.238 ( -9.399 -4.906 -12.976) 16.757 5.350 ( 12.302 2.778 11.385) 16.991 5.488 ( 2.111 -3.832 11.445) 12.253 5.770 ( 5.582 3.592 -19.578) 20.673 5.830 ( -2.865 -0.976 -12.668) 13.024 6.100 ( -5.756 -4.756 2.401) 7.843 6.184 ( -2.770 -4.984 -6.260) 8.468 6.666 ( 1.230 1.848 0.367) 2.250 6.698 ( 2.122 2.390 -3.171) 4.503 7.160 ( 15.775 -0.173 4.892) 16.517 7.252 ( 15.485 -3.639 -4.240) 16.462 7.998 ( 6.071 1.193 -0.050) 6.187 8.033 ( 7.810 -0.325 -3.503) 8.566 8.963 ( -0.874 2.743 6.744) 7.333 9.039 ( 0.812 -0.536 -0.677) 1.185 9.967 ( -9.402 -3.365 3.019) 10.432 9.974 ( -9.560 -3.795 2.163) 10.510 10.846 ( 3.829 13.346 5.167) 14.815 10.935 ( 4.280 11.211 -4.168) 12.704 11.285 ( 1.102 -0.980 7.035) 7.188 11.352 ( 2.986 -3.847 1.948) 5.245 11.456 ( 0.593 -3.338 -8.012) 8.700 11.501 ( -2.182 0.480 -8.646) 8.930 11.934 ( -2.183 1.200 1.012) 2.689 12.010 ( -1.797 -1.968 -6.507) 7.032 12.876 ( -6.959 10.647 12.976) 18.170 13.128 ( -6.747 0.500 -9.800) 11.909 13.644 ( 5.295 4.436 13.575) 15.232 13.819 ( 3.276 0.314 0.568) 3.339 14.089 ( 5.677 -3.137 4.785) 8.060 14.271 ( 4.057 -9.771 1.447) 10.679 14.344 ( 9.767 -2.974 -3.527) 10.802 14.572 ( 6.896 -8.158 -13.680) 17.356 14.839 ( 2.588 -1.580 2.845) 4.158 14.962 ( 5.515 -5.386 -8.586) 11.538 15.693 ( -0.393 0.807 4.649) 4.735 15.725 ( 0.735 -0.846 1.210) 1.649 17.537 ( -3.762 -0.459 4.272) 5.711 17.588 ( -3.942 -2.731 -1.031) 4.905 17.930 ( -3.583 3.559 0.716) 5.101 17.945 ( -3.970 2.766 -0.696) 4.889 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 5.216 11.219 -0.717) 12.393 1.910 ( 5.690 12.524 -5.397) 14.777 2.104 ( -0.163 3.335 12.686) 13.118 2.289 ( -2.663 4.653 0.718) 5.409 2.449 ( 1.403 -9.469 5.367) 10.974 2.569 ( 2.929 -4.444 -2.563) 5.908 2.608 ( -1.845 -6.172 -2.019) 6.751 2.645 ( -2.581 -10.373 -5.243) 11.906 2.930 ( 0.048 -0.925 3.230) 3.360 3.056 ( 3.148 2.733 -5.200) 6.665 3.296 ( 0.788 -8.559 -1.691) 8.760 3.382 ( -5.683 -7.346 -7.672) 12.047 4.072 ( -13.282 8.541 8.437) 17.904 4.148 ( -8.404 7.087 1.666) 11.119 4.332 ( -6.115 12.352 3.856) 14.312 4.550 ( -7.624 5.316 -13.313) 16.237 4.681 ( -3.664 3.134 11.867) 12.809 4.897 ( -3.333 -4.978 -5.505) 8.137 5.116 ( 5.339 -1.157 -2.091) 5.850 5.131 ( 6.300 -2.474 -4.934) 8.376 5.447 ( -4.060 -1.829 7.585) 8.795 5.569 ( 3.961 1.235 4.030) 5.784 5.675 ( -6.975 -0.187 -2.221) 7.323 5.867 ( 2.395 -0.138 -12.953) 13.173 6.110 ( 6.241 -1.827 7.536) 9.954 6.254 ( 6.455 -4.748 -6.328) 10.211 6.651 ( -2.151 1.555 1.408) 3.004 6.684 ( -2.497 2.109 -2.018) 3.841 7.545 ( 18.656 5.091 4.460) 19.846 7.622 ( 17.687 2.001 -3.187) 18.083 8.181 ( 11.024 0.940 1.680) 11.190 8.256 ( 13.023 -2.053 -5.628) 14.335 8.939 ( -1.474 0.549 7.680) 7.839 9.036 ( -1.488 -3.367 -1.683) 4.047 9.696 ( -15.482 -3.896 2.797) 16.208 9.713 ( -14.575 -4.184 1.162) 15.208 10.949 ( 5.281 12.304 6.234) 14.770 11.050 ( 5.855 11.066 -4.280) 13.231 11.303 ( 0.694 0.717 5.977) 6.060 11.381 ( -0.144 -2.978 1.468) 3.323 11.449 ( -2.022 -0.239 -6.898) 7.192 11.480 ( 1.214 -7.400 -8.929) 11.661 11.878 ( -3.598 0.627 2.263) 4.297 11.963 ( -2.702 -2.435 -6.307) 7.281 12.767 ( -2.401 17.838 8.406) 19.865 12.983 ( -6.127 11.496 -12.621) 18.138 13.754 ( 5.280 -7.143 6.779) 11.174 13.863 ( 1.464 -14.127 -3.620) 14.657 14.247 ( 6.153 -1.140 8.423) 10.493 14.392 ( 5.679 -4.385 -1.903) 7.423 14.546 ( 10.500 -3.986 9.445) 14.675 14.692 ( 3.695 -6.411 1.768) 7.608 15.007 ( 11.685 0.734 -4.642) 12.595 15.090 ( 6.936 -2.369 -8.854) 11.494 15.695 ( 0.645 -0.626 4.618) 4.704 15.756 ( 2.189 -3.624 -1.890) 4.637 17.442 ( -4.442 0.512 3.386) 5.609 17.489 ( -4.663 -1.490 -1.482) 5.115 17.820 ( -6.679 3.774 -0.506) 7.688 17.826 ( -7.116 3.521 -0.991) 8.001 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.38 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 2.039 14.290 2.737) 14.692 2.003 ( 1.637 19.169 -1.089) 19.269 2.100 ( 0.894 4.301 3.032) 5.337 2.220 ( -3.306 6.742 -4.408) 8.707 2.490 ( 2.416 -12.016 9.712) 15.638 2.574 ( -1.440 -12.990 2.356) 13.280 2.648 ( 4.522 -8.019 -0.530) 9.221 2.672 ( 3.537 -9.305 -2.620) 10.294 2.968 ( 3.360 1.720 -0.481) 3.805 3.063 ( -1.970 3.024 -6.650) 7.566 3.273 ( -3.095 -7.026 -0.879) 7.727 3.306 ( -0.991 -5.947 -3.859) 7.158 3.851 ( -5.174 1.717 5.540) 7.772 3.958 ( -7.146 -0.784 0.436) 7.202 4.083 ( -13.928 3.414 -2.468) 14.551 4.260 ( -16.645 -2.126 -15.093) 22.569 4.783 ( 8.501 11.914 7.679) 16.528 4.929 ( 4.697 7.020 -6.307) 10.541 5.261 ( -0.787 4.808 4.534) 6.655 5.279 ( 8.114 2.159 3.164) 8.973 5.405 ( 2.213 -5.418 -4.590) 7.438 5.454 ( -3.681 0.981 -6.912) 7.892 5.679 ( 0.848 -4.512 9.085) 10.179 5.867 ( -2.783 -6.209 -8.800) 11.124 6.280 ( 8.581 3.785 7.090) 11.758 6.385 ( 5.202 -0.976 -2.947) 6.058 6.590 ( -3.300 0.515 2.550) 4.202 6.610 ( -4.419 1.640 0.468) 4.737 7.885 ( 12.689 10.827 4.014) 17.157 7.941 ( 11.298 10.104 -1.460) 15.227 8.452 ( 14.343 -2.700 4.756) 15.350 8.563 ( 15.243 -5.041 -5.979) 17.132 8.904 ( -1.685 -2.912 5.296) 6.275 8.972 ( -4.256 -5.986 -1.071) 7.422 9.350 ( -16.270 -3.978 2.310) 16.908 9.385 ( -15.776 -5.043 -1.019) 16.594 11.041 ( 3.154 10.858 4.996) 12.362 11.124 ( 0.187 10.052 -3.485) 10.640 11.345 ( 2.048 1.723 2.725) 3.819 11.390 ( 3.233 -2.632 0.689) 4.226 11.410 ( -1.240 -5.664 -1.743) 6.055 11.542 ( 5.690 -5.026 -9.684) 12.305 11.759 ( -7.707 0.916 4.048) 8.753 11.875 ( -6.167 -3.484 -7.110) 10.036 12.774 ( 2.278 23.693 2.163) 23.900 12.886 ( -3.166 21.316 -9.047) 23.372 13.856 ( 3.877 -18.791 1.384) 19.236 13.893 ( 1.275 -20.714 -2.382) 20.889 14.357 ( 5.173 1.506 8.162) 9.780 14.476 ( 2.677 0.326 -2.799) 3.887 14.687 ( 1.017 -4.936 7.301) 8.872 14.749 ( 1.147 -6.645 1.761) 6.969 15.222 ( 10.526 2.771 3.371) 11.394 15.313 ( 11.547 -0.332 -4.615) 12.440 15.705 ( -0.244 -4.524 5.717) 7.294 15.787 ( -0.449 -7.149 -2.543) 7.601 17.390 ( 0.330 2.545 1.491) 2.968 17.430 ( -0.125 0.891 -2.700) 2.846 17.652 ( -8.786 4.046 -1.118) 9.737 17.663 ( -8.104 3.657 -2.298) 9.183 ======================= Grid point 274 (95/100) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -2.358 18.451 5.100) 19.287 1.975 ( 2.358 18.451 5.100) 19.287 2.157 ( -3.115 7.062 -5.419) 9.431 2.157 ( 3.115 7.062 -5.419) 9.431 2.539 ( -2.043 -12.344 6.279) 13.999 2.539 ( 2.043 -12.344 6.279) 13.999 2.712 ( -0.715 -10.303 -0.795) 10.358 2.712 ( 0.715 -10.303 -0.795) 10.358 3.029 ( -1.320 2.639 -3.209) 4.360 3.029 ( 1.320 2.639 -3.209) 4.360 3.262 ( -2.058 -5.167 0.844) 5.626 3.262 ( 2.058 -5.167 0.844) 5.626 3.866 ( -5.442 -1.004 -2.361) 6.016 3.866 ( 5.442 -1.004 -2.361) 6.016 3.960 ( -9.151 -4.468 -8.578) 13.314 3.960 ( 9.151 -4.468 -8.578) 13.314 4.945 ( -5.056 14.421 2.444) 15.476 4.945 ( 5.056 14.421 2.444) 15.476 5.259 ( -4.646 3.794 -2.775) 6.609 5.259 ( 4.646 3.794 -2.775) 6.609 5.476 ( -5.134 -2.892 3.079) 6.648 5.476 ( 5.134 -2.892 3.079) 6.648 5.751 ( -6.981 -7.120 -3.588) 10.597 5.751 ( 6.981 -7.120 -3.588) 10.597 6.429 ( -3.573 7.681 2.119) 8.732 6.429 ( 3.573 7.681 2.119) 8.732 6.536 ( -0.233 -4.090 2.622) 4.864 6.536 ( 0.233 -4.090 2.622) 4.864 8.047 ( -1.773 14.904 1.916) 15.131 8.047 ( 1.773 14.904 1.916) 15.131 8.733 ( -8.336 -12.819 5.163) 16.139 8.733 ( 8.336 -12.819 5.163) 16.139 8.896 ( -5.111 2.722 -3.046) 6.543 8.896 ( 5.111 2.722 -3.046) 6.543 9.134 ( -2.221 -7.231 -0.640) 7.591 9.134 ( 2.221 -7.231 -0.640) 7.591 11.093 ( -2.157 9.459 0.600) 9.720 11.093 ( 2.157 9.459 0.600) 9.720 11.366 ( -1.312 -4.051 -1.645) 4.565 11.366 ( 1.312 -4.051 -1.645) 4.565 11.566 ( -9.602 0.814 4.751) 10.744 11.566 ( 9.602 0.814 4.751) 10.744 11.710 ( -8.723 -3.724 -8.508) 12.741 11.710 ( 8.723 -3.724 -8.508) 12.741 12.830 ( -2.606 25.298 -3.569) 25.681 12.830 ( 2.606 25.298 -3.569) 25.681 13.903 ( -0.625 -22.772 -1.111) 22.808 13.903 ( 0.625 -22.772 -1.111) 22.808 14.467 ( -4.149 3.306 5.648) 7.748 14.467 ( 4.149 3.306 5.648) 7.748 14.711 ( -2.876 -6.739 -0.599) 7.352 14.711 ( 2.876 -6.739 -0.599) 7.352 15.418 ( -4.378 3.535 2.749) 6.263 15.418 ( 4.378 3.535 2.749) 6.263 15.725 ( -3.788 -9.801 2.401) 10.778 15.725 ( 3.788 -9.801 2.401) 10.778 17.460 ( -3.749 4.554 -1.165) 6.012 17.460 ( 3.749 4.554 -1.165) 6.012 17.514 ( -2.977 2.360 -2.710) 4.666 17.514 ( 2.977 2.360 -2.710) 4.666 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.000 -4.074 0.126) 4.076 1.851 ( 0.000 4.074 0.126) 4.076 2.136 ( 0.000 -8.663 7.543) 11.486 2.136 ( 0.000 8.663 7.543) 11.486 2.609 ( 0.000 -1.408 -7.979) 8.102 2.609 ( 0.000 1.408 -7.979) 8.102 2.628 ( 0.000 -4.315 2.726) 5.104 2.628 ( 0.000 4.315 2.726) 5.104 2.919 ( 0.000 -4.881 0.038) 4.882 2.919 ( 0.000 4.881 0.038) 4.882 3.240 ( 0.000 -8.970 -8.936) 12.661 3.240 ( 0.000 8.970 -8.936) 12.661 4.466 ( 0.000 -3.402 0.731) 3.480 4.466 ( 0.000 3.402 0.731) 3.480 4.625 ( 0.000 -0.373 -1.733) 1.773 4.625 ( 0.000 0.373 -1.733) 1.773 4.988 ( 0.000 -0.546 10.961) 10.975 4.988 ( 0.000 0.546 10.961) 10.975 5.210 ( 0.000 -5.569 16.063) 17.001 5.210 ( 0.000 5.569 16.063) 17.001 5.328 ( 0.000 -0.256 2.502) 2.515 5.328 ( 0.000 0.256 2.502) 2.515 5.750 ( 0.000 -2.687 -24.965) 25.109 5.750 ( 0.000 2.687 -24.965) 25.109 6.156 ( 0.000 -2.952 -3.830) 4.835 6.156 ( 0.000 2.952 -3.830) 4.835 6.747 ( 0.000 -1.491 -1.169) 1.894 6.747 ( 0.000 1.491 -1.169) 1.894 6.927 ( 0.000 -3.767 0.093) 3.768 6.927 ( 0.000 3.767 0.093) 3.768 7.945 ( 0.000 -0.048 -1.554) 1.555 7.945 ( 0.000 0.048 -1.554) 1.555 9.022 ( 0.000 -1.317 3.555) 3.791 9.022 ( 0.000 1.317 3.555) 3.791 10.038 ( 0.000 -0.185 2.308) 2.315 10.038 ( 0.000 0.185 2.308) 2.315 11.024 ( 0.000 -3.392 -0.455) 3.422 11.024 ( 0.000 3.392 -0.455) 3.422 11.208 ( 0.000 -1.180 1.012) 1.555 11.208 ( 0.000 1.180 1.012) 1.555 11.494 ( 0.000 -3.097 -2.875) 4.226 11.494 ( 0.000 3.097 -2.875) 4.226 11.994 ( 0.000 -1.747 -2.993) 3.465 11.994 ( 0.000 1.747 -2.993) 3.465 13.094 ( 0.000 -6.215 3.800) 7.285 13.094 ( 0.000 6.215 3.800) 7.285 13.834 ( 0.000 -17.300 19.250) 25.881 13.834 ( 0.000 17.300 19.250) 25.881 13.979 ( 0.000 -9.157 -1.654) 9.306 13.979 ( 0.000 9.157 -1.654) 9.306 14.300 ( 0.000 -8.303 -20.857) 22.449 14.300 ( 0.000 8.303 -20.857) 22.449 14.806 ( 0.000 -1.693 -1.867) 2.520 14.806 ( 0.000 1.693 -1.867) 2.520 15.715 ( 0.000 -0.446 3.669) 3.696 15.715 ( 0.000 0.446 3.669) 3.696 17.586 ( 0.000 -1.350 1.910) 2.339 17.586 ( 0.000 1.350 1.910) 2.339 18.009 ( 0.000 -0.459 0.293) 0.544 18.009 ( 0.000 0.459 0.293) 0.544 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 5.771 -4.277 0.873) 7.236 1.916 ( 5.771 4.277 0.873) 7.236 2.156 ( 1.770 -9.372 8.107) 12.517 2.156 ( 1.770 9.372 8.107) 12.517 2.514 ( -5.830 -8.736 -3.506) 11.072 2.514 ( -5.830 8.736 -3.506) 11.072 2.627 ( -2.865 -3.070 -7.536) 8.627 2.627 ( -2.865 3.070 -7.536) 8.627 2.936 ( 2.242 -2.921 6.919) 7.838 2.936 ( 2.242 2.921 6.919) 7.838 3.266 ( 1.326 -7.630 -10.463) 13.017 3.266 ( 1.326 7.630 -10.463) 13.017 4.491 ( -6.182 -8.535 4.089) 11.304 4.491 ( -6.182 8.535 4.089) 11.304 4.543 ( -0.191 -12.480 -0.640) 12.498 4.543 ( -0.191 12.480 -0.640) 12.498 4.886 ( -4.326 -2.607 9.618) 10.864 4.886 ( -4.326 2.607 9.618) 10.864 5.120 ( -9.797 -6.664 -9.498) 15.185 5.120 ( -9.797 6.664 -9.498) 15.185 5.413 ( 7.597 -3.425 17.199) 19.112 5.413 ( 7.597 3.425 17.199) 19.112 5.822 ( 2.455 -0.468 -17.820) 17.994 5.822 ( 2.455 0.468 -17.820) 17.994 6.043 ( -4.339 -3.553 -3.183) 6.448 6.043 ( -4.339 3.553 -3.183) 6.448 6.739 ( -0.772 -1.541 -0.797) 1.899 6.739 ( -0.772 1.541 -0.797) 1.899 7.174 ( 19.321 -2.666 -0.281) 19.506 7.174 ( 19.321 2.666 -0.281) 19.506 8.021 ( 6.808 -0.905 -1.775) 7.094 8.021 ( 6.808 0.905 -1.775) 7.094 9.014 ( -0.951 -2.003 3.660) 4.279 9.014 ( -0.951 2.003 3.660) 4.279 9.930 ( -9.693 -0.166 2.121) 9.924 9.930 ( -9.693 0.166 2.121) 9.924 11.061 ( 3.505 -4.118 0.436) 5.425 11.061 ( 3.505 4.118 0.436) 5.425 11.248 ( 2.996 -3.697 -0.200) 4.763 11.248 ( 2.996 3.697 -0.200) 4.763 11.474 ( -1.805 -2.702 -2.560) 4.136 11.474 ( -1.805 2.702 -2.560) 4.136 11.969 ( -2.113 -1.979 -2.735) 3.982 11.969 ( -2.113 1.979 -2.735) 3.982 13.059 ( -1.878 -6.740 2.629) 7.474 13.059 ( -1.878 6.740 2.629) 7.474 13.786 ( -6.004 -7.025 -0.391) 9.250 13.786 ( -6.004 7.025 -0.391) 9.250 14.055 ( 9.591 -5.148 13.754) 17.541 14.055 ( 9.591 5.148 13.754) 17.541 14.422 ( 8.206 -6.342 -11.591) 15.553 14.422 ( 8.206 6.342 -11.591) 15.553 14.862 ( 5.665 -3.651 -5.399) 8.635 14.862 ( 5.665 3.651 -5.399) 8.635 15.708 ( -0.522 -0.753 3.101) 3.234 15.708 ( -0.522 0.753 3.101) 3.234 17.546 ( -3.516 -1.304 1.743) 4.135 17.546 ( -3.516 1.304 1.743) 4.135 17.971 ( -3.562 -0.358 0.041) 3.580 17.971 ( -3.562 0.358 0.041) 3.580 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 7.600 -5.342 4.249) 10.215 2.067 ( 7.600 5.342 4.249) 10.215 2.202 ( 2.537 -10.579 7.248) 13.072 2.202 ( 2.537 10.579 7.248) 13.072 2.403 ( -3.904 -5.373 -5.606) 8.691 2.403 ( -3.904 5.373 -5.606) 8.691 2.545 ( -3.554 -2.765 -6.874) 8.217 2.545 ( -3.554 2.765 -6.874) 8.217 2.993 ( 2.562 -5.986 8.542) 10.741 2.993 ( 2.562 5.986 8.542) 10.741 3.263 ( -1.665 -4.079 -11.602) 12.410 3.263 ( -1.665 4.079 -11.602) 12.410 4.191 ( -15.931 -2.615 8.906) 18.438 4.191 ( -15.931 2.615 8.906) 18.438 4.552 ( -12.592 -6.766 -8.163) 16.462 4.552 ( -12.592 6.766 -8.163) 16.462 4.802 ( 5.153 -6.140 2.291) 8.337 4.802 ( 5.153 6.140 2.291) 8.337 5.087 ( 6.953 -1.130 -6.193) 9.379 5.087 ( 6.953 1.130 -6.193) 9.379 5.511 ( 0.435 -6.695 13.090) 14.709 5.511 ( 0.435 6.695 13.090) 14.709 5.740 ( -5.684 -8.194 -8.778) 13.285 5.740 ( -5.684 8.194 -8.778) 13.285 6.138 ( 9.132 -4.328 -2.278) 10.360 6.138 ( 9.132 4.328 -2.278) 10.360 6.709 ( -2.351 -1.368 0.222) 2.729 6.709 ( -2.351 1.368 0.222) 2.729 7.624 ( 21.918 -2.071 0.330) 22.018 7.624 ( 21.918 2.071 0.330) 22.018 8.212 ( 10.811 -2.024 -2.135) 11.204 8.212 ( 10.811 2.024 -2.135) 11.204 8.971 ( -3.356 -2.619 3.681) 5.628 8.971 ( -3.356 2.619 3.681) 5.628 9.659 ( -15.225 -0.546 1.363) 15.296 9.659 ( -15.225 0.546 1.363) 15.296 11.163 ( 5.542 -6.747 2.815) 9.174 11.163 ( 5.542 6.747 2.815) 9.174 11.296 ( 1.273 -7.005 -3.281) 7.839 11.296 ( 1.273 7.005 -3.281) 7.839 11.424 ( -2.457 -1.993 -2.418) 3.982 11.424 ( -2.457 1.993 -2.418) 3.982 11.912 ( -3.469 -2.406 -1.743) 4.568 11.912 ( -3.469 2.406 -1.743) 4.568 13.072 ( 3.734 -7.400 0.296) 8.294 13.072 ( 3.734 7.400 0.296) 8.294 13.648 ( -6.455 -2.812 -4.342) 8.272 13.648 ( -6.455 2.812 -4.342) 8.272 14.277 ( 9.302 -4.381 10.197) 14.481 14.277 ( 9.302 4.381 10.197) 14.481 14.577 ( 6.293 -4.519 1.931) 7.984 14.577 ( 6.293 4.519 1.931) 7.984 15.041 ( 10.530 -2.250 -7.340) 13.032 15.041 ( 10.530 2.250 -7.340) 13.032 15.700 ( -0.216 -1.485 1.530) 2.143 15.700 ( -0.216 1.485 1.530) 2.143 17.462 ( -3.662 -1.213 1.006) 3.987 17.462 ( -3.662 1.213 1.006) 3.987 17.862 ( -6.671 -0.139 -0.672) 6.707 17.862 ( -6.671 0.139 -0.672) 6.707 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 3.928 -9.599 9.557) 14.103 2.190 ( 3.928 9.599 9.557) 14.103 2.269 ( 2.741 -8.398 2.340) 9.139 2.269 ( 2.741 8.398 2.340) 9.139 2.368 ( 1.162 -6.521 -6.427) 9.230 2.368 ( 1.162 6.521 -6.427) 9.230 2.495 ( -1.797 -4.000 -0.455) 4.408 2.495 ( -1.797 4.000 -0.455) 4.408 3.051 ( 3.371 -5.381 2.841) 6.957 3.051 ( 3.371 5.381 2.841) 6.957 3.205 ( -3.419 -3.420 -8.818) 10.057 3.205 ( -3.419 3.420 -8.818) 10.057 3.910 ( -8.932 -3.194 5.690) 11.061 3.910 ( -8.932 3.194 5.690) 11.061 4.177 ( -18.119 -4.997 -11.663) 22.120 4.177 ( -18.119 4.997 -11.663) 22.120 5.017 ( 11.546 -6.035 2.013) 13.183 5.017 ( 11.546 6.035 2.013) 13.183 5.285 ( 9.447 -4.760 -3.883) 11.269 5.285 ( 9.447 4.760 -3.883) 11.269 5.438 ( -5.309 -10.680 6.033) 13.366 5.438 ( -5.309 10.680 6.033) 13.366 5.647 ( -4.402 -10.937 -4.672) 12.681 5.647 ( -4.402 10.937 -4.672) 12.681 6.334 ( 8.921 -2.300 2.050) 9.438 6.334 ( 8.921 2.300 2.050) 9.438 6.633 ( -4.858 -1.056 1.560) 5.211 6.633 ( -4.858 1.056 1.560) 5.211 8.063 ( 19.121 -2.664 1.882) 19.397 8.063 ( 19.121 2.664 1.882) 19.397 8.434 ( 7.987 -4.272 -0.894) 9.102 8.434 ( 7.987 4.272 -0.894) 9.102 8.888 ( -2.716 -1.644 2.202) 3.864 8.888 ( -2.716 1.644 2.202) 3.864 9.318 ( -16.523 -1.022 -0.059) 16.554 9.318 ( -16.523 1.022 -0.059) 16.554 11.237 ( 1.018 -7.318 2.403) 7.769 11.237 ( 1.018 7.318 2.403) 7.769 11.302 ( -1.673 -5.156 -3.204) 6.297 11.302 ( -1.673 5.156 -3.204) 6.297 11.442 ( 6.325 -4.717 -2.797) 8.371 11.442 ( 6.325 4.717 -2.797) 8.371 11.805 ( -6.969 -3.192 -0.898) 7.718 11.805 ( -6.969 3.192 -0.898) 7.718 13.207 ( 8.120 -6.713 -1.350) 10.622 13.207 ( 8.120 6.713 -1.350) 10.622 13.517 ( -6.174 -4.282 -3.663) 8.359 13.517 ( -6.174 4.282 -3.663) 8.359 14.434 ( 6.485 -4.553 4.134) 8.937 14.434 ( 6.485 4.553 4.134) 8.937 14.651 ( -0.393 -2.407 4.074) 4.748 14.651 ( -0.393 2.407 4.074) 4.748 15.287 ( 12.629 -2.711 -0.314) 12.921 15.287 ( 12.629 2.711 -0.314) 12.921 15.677 ( -3.069 -2.523 0.968) 4.089 15.677 ( -3.069 2.523 0.968) 4.089 17.430 ( 1.357 -1.071 -0.568) 1.819 17.430 ( 1.357 1.071 -0.568) 1.819 17.698 ( -8.526 -0.308 -1.550) 8.671 17.698 ( -8.526 0.308 -1.550) 8.671 ======================= Grid point 287 (100/100) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -2.413 -11.561 5.301) 12.946 2.261 ( 2.297 -11.555 5.301) 12.919 2.261 ( -2.297 11.555 5.301) 12.919 2.261 ( 2.413 11.561 5.301) 12.946 2.439 ( -2.314 -14.708 -1.444) 14.959 2.439 ( 1.647 -14.686 -1.444) 14.848 2.439 ( -1.647 14.686 -1.444) 14.848 2.439 ( 2.314 14.708 -1.444) 14.959 3.130 ( -2.748 -6.513 -2.167) 7.394 3.130 ( 1.319 -6.401 -2.167) 6.886 3.130 ( -1.319 6.401 -2.167) 6.886 3.130 ( 2.748 6.513 -2.167) 7.394 3.887 ( -7.413 -2.546 -5.692) 9.687 3.887 ( -7.259 2.433 -5.692) 9.540 3.887 ( 7.260 -2.433 -5.692) 9.540 3.887 ( 7.413 2.546 -5.692) 9.687 5.242 ( -8.045 -9.381 2.886) 12.691 5.242 ( 3.090 -8.615 2.886) 9.596 5.242 ( -3.090 8.615 2.886) 9.596 5.242 ( 8.045 9.381 2.886) 12.691 5.517 ( -7.296 -10.274 -3.329) 13.033 5.517 ( 5.127 -9.941 -3.329) 11.670 5.517 ( -5.127 9.941 -3.329) 11.670 5.517 ( 7.296 10.274 -3.329) 13.033 6.505 ( -7.020 -0.421 2.721) 7.541 6.505 ( -6.970 -0.011 2.721) 7.482 6.505 ( 6.970 0.011 2.721) 7.482 6.505 ( 7.020 0.421 2.721) 7.541 8.398 ( -5.832 -17.488 2.703) 18.632 8.398 ( -0.498 -17.245 2.703) 17.462 8.398 ( 0.498 17.245 2.703) 17.462 8.398 ( 5.832 17.488 2.703) 18.632 8.996 ( -9.672 -4.523 -1.132) 10.737 8.996 ( -8.578 -3.932 -1.132) 9.504 8.996 ( 8.578 3.932 -1.132) 9.504 8.996 ( 9.672 4.523 -1.132) 10.737 11.258 ( -1.223 -6.515 -1.057) 6.713 11.258 ( 0.985 -6.505 -1.057) 6.663 11.258 ( -0.985 6.505 -1.057) 6.663 11.258 ( 1.223 6.515 -1.057) 6.713 11.626 ( -9.356 -4.174 -1.202) 10.315 11.626 ( -4.402 0.616 -1.202) 4.605 11.626 ( 4.402 -0.616 -1.202) 4.605 11.626 ( 9.356 4.174 -1.202) 10.315 13.376 ( -2.425 -27.133 -2.503) 27.356 13.376 ( 0.509 -27.108 -2.503) 27.228 13.376 ( -0.509 27.108 -2.503) 27.228 13.376 ( 2.425 27.133 -2.503) 27.356 14.571 ( -4.695 -6.142 2.822) 8.230 14.571 ( 0.507 -5.681 2.822) 6.364 14.571 ( -0.507 5.681 2.822) 6.364 14.571 ( 4.695 6.142 2.822) 8.230 15.538 ( -7.476 -7.179 2.202) 10.597 15.538 ( -2.484 -6.254 2.202) 7.080 15.538 ( 2.484 6.254 2.202) 7.080 15.538 ( 7.476 7.179 2.202) 10.597 17.525 ( -6.862 -1.047 -1.783) 7.167 17.525 ( -6.543 0.167 -1.783) 6.784 17.525 ( 6.543 -0.167 -1.783) 6.784 17.525 ( 6.862 1.047 -1.783) 7.167 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 721.884 867.703 955.436 0.000 0.000 -0.000 3/25920 20.0 147.950 132.986 149.137 0.000 0.000 -0.000 3/25920 30.0 60.304 55.348 60.648 0.000 0.000 -0.000 3/25920 40.0 34.011 31.665 34.072 0.000 0.000 -0.000 3/25920 50.0 22.770 21.261 22.721 0.000 0.000 -0.000 3/25920 60.0 16.921 15.765 16.825 0.000 0.000 -0.000 3/25920 70.0 13.444 12.475 13.325 0.000 0.000 -0.000 3/25920 80.0 11.169 10.321 11.036 0.000 0.000 -0.000 3/25920 90.0 9.570 8.811 9.431 0.000 0.000 -0.000 3/25920 100.0 8.385 7.698 8.244 0.000 0.000 -0.000 3/25920 110.0 7.471 6.845 7.331 0.000 0.000 0.000 3/25920 120.0 6.743 6.171 6.608 0.000 0.000 0.000 3/25920 130.0 6.149 5.623 6.019 0.000 0.000 0.000 3/25920 140.0 5.655 5.169 5.531 0.000 0.000 0.000 3/25920 150.0 5.238 4.787 5.119 0.000 0.000 0.000 3/25920 160.0 4.880 4.460 4.768 0.000 0.000 0.000 3/25920 170.0 4.569 4.177 4.463 0.000 0.000 0.000 3/25920 180.0 4.297 3.930 4.196 0.000 0.000 0.000 3/25920 190.0 4.057 3.711 3.961 0.000 0.000 0.000 3/25920 200.0 3.843 3.517 3.752 0.000 0.000 0.000 3/25920 210.0 3.651 3.342 3.565 0.000 0.000 0.000 3/25920 220.0 3.478 3.185 3.396 0.000 0.000 0.000 3/25920 230.0 3.321 3.042 3.243 0.000 0.000 0.000 3/25920 240.0 3.178 2.912 3.103 0.000 0.000 0.000 3/25920 250.0 3.048 2.793 2.975 0.000 0.000 0.000 3/25920 260.0 2.927 2.683 2.858 0.000 0.000 0.000 3/25920 270.0 2.816 2.582 2.750 0.000 0.000 0.000 3/25920 280.0 2.714 2.489 2.650 0.000 0.000 0.000 3/25920 290.0 2.619 2.402 2.557 0.000 0.000 0.000 3/25920 300.0 2.530 2.321 2.470 0.000 0.000 0.000 3/25920 310.0 2.447 2.245 2.390 0.000 0.000 0.000 3/25920 320.0 2.370 2.175 2.314 0.000 0.000 0.000 3/25920 330.0 2.297 2.108 2.243 0.000 0.000 0.000 3/25920 340.0 2.229 2.046 2.177 0.000 0.000 0.000 3/25920 350.0 2.164 1.987 2.114 0.000 0.000 0.000 3/25920 360.0 2.104 1.932 2.055 0.000 0.000 0.000 3/25920 370.0 2.047 1.879 1.999 0.000 0.000 0.000 3/25920 380.0 1.992 1.830 1.946 0.000 0.000 0.000 3/25920 390.0 1.941 1.783 1.896 0.000 0.000 0.000 3/25920 400.0 1.892 1.738 1.848 0.000 0.000 0.000 3/25920 410.0 1.846 1.695 1.803 0.000 0.000 0.000 3/25920 420.0 1.802 1.655 1.760 0.000 0.000 0.000 3/25920 430.0 1.760 1.616 1.719 0.000 0.000 0.000 3/25920 440.0 1.719 1.580 1.680 0.000 0.000 0.000 3/25920 450.0 1.681 1.545 1.642 0.000 0.000 0.000 3/25920 460.0 1.644 1.511 1.606 0.000 0.000 0.000 3/25920 470.0 1.609 1.479 1.572 0.000 0.000 0.000 3/25920 480.0 1.576 1.448 1.539 0.000 0.000 0.000 3/25920 490.0 1.544 1.418 1.508 0.000 0.000 0.000 3/25920 500.0 1.513 1.390 1.478 0.000 0.000 0.000 3/25920 510.0 1.483 1.363 1.449 0.000 0.000 0.000 3/25920 520.0 1.454 1.337 1.421 0.000 0.000 0.000 3/25920 530.0 1.427 1.311 1.394 0.000 0.000 0.000 3/25920 540.0 1.400 1.287 1.368 0.000 0.000 0.000 3/25920 550.0 1.375 1.264 1.343 0.000 0.000 0.000 3/25920 560.0 1.350 1.241 1.319 0.000 0.000 0.000 3/25920 570.0 1.327 1.219 1.296 0.000 0.000 0.000 3/25920 580.0 1.304 1.198 1.274 0.000 0.000 0.000 3/25920 590.0 1.282 1.178 1.252 0.000 0.000 0.000 3/25920 600.0 1.260 1.158 1.231 0.000 0.000 0.000 3/25920 610.0 1.240 1.140 1.211 0.000 0.000 0.000 3/25920 620.0 1.220 1.121 1.192 0.000 0.000 0.000 3/25920 630.0 1.200 1.103 1.173 0.000 0.000 0.000 3/25920 640.0 1.181 1.086 1.154 0.000 0.000 0.000 3/25920 650.0 1.163 1.069 1.137 0.000 0.000 0.000 3/25920 660.0 1.146 1.053 1.119 0.000 0.000 0.000 3/25920 670.0 1.129 1.038 1.103 0.000 0.000 0.000 3/25920 680.0 1.112 1.022 1.087 0.000 0.000 0.000 3/25920 690.0 1.096 1.008 1.071 0.000 0.000 0.000 3/25920 700.0 1.080 0.993 1.056 0.000 0.000 0.000 3/25920 710.0 1.065 0.979 1.041 0.000 0.000 0.000 3/25920 720.0 1.050 0.966 1.026 0.000 0.000 0.000 3/25920 730.0 1.036 0.952 1.012 0.000 0.000 0.000 3/25920 740.0 1.022 0.940 0.999 0.000 0.000 0.000 3/25920 750.0 1.008 0.927 0.985 0.000 0.000 0.000 3/25920 760.0 0.995 0.915 0.972 0.000 0.000 0.000 3/25920 770.0 0.982 0.903 0.960 0.000 0.000 0.000 3/25920 780.0 0.969 0.891 0.947 0.000 0.000 0.000 3/25920 790.0 0.957 0.880 0.935 0.000 0.000 0.000 3/25920 800.0 0.945 0.869 0.924 0.000 0.000 0.000 3/25920 810.0 0.934 0.858 0.912 0.000 0.000 0.000 3/25920 820.0 0.922 0.848 0.901 0.000 0.000 0.000 3/25920 830.0 0.911 0.838 0.890 0.000 0.000 0.000 3/25920 840.0 0.900 0.828 0.880 0.000 0.000 0.000 3/25920 850.0 0.890 0.818 0.869 0.000 0.000 0.000 3/25920 860.0 0.879 0.809 0.859 0.000 0.000 0.000 3/25920 870.0 0.869 0.799 0.849 0.000 0.000 0.000 3/25920 880.0 0.859 0.790 0.840 0.000 0.000 0.000 3/25920 890.0 0.850 0.781 0.830 0.000 0.000 0.000 3/25920 900.0 0.840 0.773 0.821 0.000 0.000 0.000 3/25920 910.0 0.831 0.764 0.812 0.000 0.000 0.000 3/25920 920.0 0.822 0.756 0.803 0.000 0.000 0.000 3/25920 930.0 0.813 0.748 0.795 0.000 0.000 0.000 3/25920 940.0 0.805 0.740 0.786 0.000 0.000 0.000 3/25920 950.0 0.796 0.732 0.778 0.000 0.000 0.000 3/25920 960.0 0.788 0.724 0.770 0.000 0.000 0.000 3/25920 970.0 0.780 0.717 0.762 0.000 0.000 0.000 3/25920 980.0 0.772 0.710 0.754 0.000 0.000 0.000 3/25920 990.0 0.764 0.702 0.747 0.000 0.000 0.000 3/25920 1000.0 0.756 0.695 0.739 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m869.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:39:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|