----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:38:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.490236370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.835159210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.707780190000000 Atomic positions (fractional): *1 Yb 0.76081082519780 0.75000000000000 0.41523167957976 173.054 2 Yb 0.73918917480220 0.25000000000000 0.91523167957976 173.054 3 Yb 0.26081082519780 0.75000000000000 0.08476832042024 173.054 4 Yb 0.23918917480220 0.25000000000000 0.58476832042024 173.054 *5 C 0.90987127117491 0.75000000000000 0.76348555654587 12.011 6 C 0.59012872882509 0.25000000000000 0.26348555654587 12.011 7 C 0.40987127117491 0.75000000000000 0.73651444345413 12.011 8 C 0.09012872882509 0.25000000000000 0.23651444345413 12.011 *9 O 0.90896931373476 0.51933572393542 0.67854351556101 15.999 10 O 0.90896931373476 0.98066427606458 0.67854351556101 15.999 *11 O 0.89651794782335 0.75000000000000 0.92992266747986 15.999 12 O 0.60348205217665 0.25000000000000 0.42992266747986 15.999 13 O 0.59103068626524 0.48066427606458 0.17854351556101 15.999 14 O 0.59103068626524 0.01933572393542 0.17854351556101 15.999 15 O 0.40896931373476 0.98066427606458 0.82145648443899 15.999 16 O 0.40896931373476 0.51933572393542 0.82145648443899 15.999 17 O 0.39651794782335 0.75000000000000 0.57007733252014 15.999 18 O 0.10348205217665 0.25000000000000 0.07007733252014 15.999 19 O 0.09103068626524 0.01933572393542 0.32145648443899 15.999 20 O 0.09103068626524 0.48066427606458 0.32145648443899 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.490236370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.835159210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.707780190000000 Atomic positions (fractional): *1 Yb 0.76081082519780 0.75000000000000 0.41523167957976 173.054 > 1 2 Yb 0.73918917480220 0.25000000000000 0.91523167957976 173.054 > 2 3 Yb 0.26081082519780 0.75000000000000 0.08476832042024 173.054 > 3 4 Yb 0.23918917480220 0.25000000000000 0.58476832042024 173.054 > 4 *5 C 0.90987127117491 0.75000000000000 0.76348555654587 12.011 > 5 6 C 0.59012872882509 0.25000000000000 0.26348555654587 12.011 > 6 7 C 0.40987127117491 0.75000000000000 0.73651444345413 12.011 > 7 8 C 0.09012872882509 0.25000000000000 0.23651444345413 12.011 > 8 *9 O 0.90896931373476 0.51933572393542 0.67854351556101 15.999 > 9 10 O 0.90896931373476 0.98066427606458 0.67854351556101 15.999 > 10 *11 O 0.89651794782335 0.75000000000000 0.92992266747986 15.999 > 11 12 O 0.60348205217665 0.25000000000000 0.42992266747986 15.999 > 12 13 O 0.59103068626524 0.48066427606458 0.17854351556101 15.999 > 13 14 O 0.59103068626524 0.01933572393542 0.17854351556101 15.999 > 14 15 O 0.40896931373476 0.98066427606458 0.82145648443899 15.999 > 15 16 O 0.40896931373476 0.51933572393542 0.82145648443899 15.999 > 16 17 O 0.39651794782335 0.75000000000000 0.57007733252014 15.999 > 17 18 O 0.10348205217665 0.25000000000000 0.07007733252014 15.999 > 18 19 O 0.09103068626524 0.01933572393542 0.32145648443899 15.999 > 19 20 O 0.09103068626524 0.48066427606458 0.32145648443899 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.980472740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.670318419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.707780190000000 Atomic positions (fractional): *1 Yb 0.38040541259890 0.37500000000000 0.41523167957976 173.054 > 1 2 Yb 0.88040541259890 0.37500000000000 0.41523167957976 173.054 > 1 3 Yb 0.38040541259890 0.87500000000000 0.41523167957976 173.054 > 1 4 Yb 0.88040541259890 0.87500000000000 0.41523167957976 173.054 > 1 5 Yb 0.36959458740110 0.12500000000000 0.91523167957976 173.054 > 2 6 Yb 0.86959458740110 0.12500000000000 0.91523167957976 173.054 > 2 7 Yb 0.36959458740110 0.62500000000000 0.91523167957976 173.054 > 2 8 Yb 0.86959458740110 0.62500000000000 0.91523167957976 173.054 > 2 9 Yb 0.13040541259890 0.37500000000000 0.08476832042024 173.054 > 3 10 Yb 0.63040541259890 0.37500000000000 0.08476832042024 173.054 > 3 11 Yb 0.13040541259890 0.87500000000000 0.08476832042024 173.054 > 3 12 Yb 0.63040541259890 0.87500000000000 0.08476832042024 173.054 > 3 13 Yb 0.11959458740110 0.12500000000000 0.58476832042024 173.054 > 4 14 Yb 0.61959458740110 0.12500000000000 0.58476832042024 173.054 > 4 15 Yb 0.11959458740110 0.62500000000000 0.58476832042024 173.054 > 4 16 Yb 0.61959458740110 0.62500000000000 0.58476832042024 173.054 > 4 *17 C 0.45493563558746 0.37500000000000 0.76348555654587 12.011 > 5 18 C 0.95493563558746 0.37500000000000 0.76348555654587 12.011 > 5 19 C 0.45493563558746 0.87500000000000 0.76348555654587 12.011 > 5 20 C 0.95493563558746 0.87500000000000 0.76348555654587 12.011 > 5 21 C 0.29506436441254 0.12500000000000 0.26348555654587 12.011 > 6 22 C 0.79506436441254 0.12500000000000 0.26348555654587 12.011 > 6 23 C 0.29506436441254 0.62500000000000 0.26348555654587 12.011 > 6 24 C 0.79506436441254 0.62500000000000 0.26348555654587 12.011 > 6 25 C 0.20493563558746 0.37500000000000 0.73651444345413 12.011 > 7 26 C 0.70493563558746 0.37500000000000 0.73651444345413 12.011 > 7 27 C 0.20493563558746 0.87500000000000 0.73651444345413 12.011 > 7 28 C 0.70493563558746 0.87500000000000 0.73651444345413 12.011 > 7 29 C 0.04506436441254 0.12500000000000 0.23651444345413 12.011 > 8 30 C 0.54506436441254 0.12500000000000 0.23651444345413 12.011 > 8 31 C 0.04506436441254 0.62500000000000 0.23651444345413 12.011 > 8 32 C 0.54506436441254 0.62500000000000 0.23651444345413 12.011 > 8 *33 O 0.45448465686738 0.25966786196771 0.67854351556101 15.999 > 9 34 O 0.95448465686738 0.25966786196771 0.67854351556101 15.999 > 9 35 O 0.45448465686738 0.75966786196771 0.67854351556101 15.999 > 9 36 O 0.95448465686738 0.75966786196771 0.67854351556101 15.999 > 9 37 O 0.45448465686738 0.49033213803229 0.67854351556101 15.999 > 10 38 O 0.95448465686738 0.49033213803229 0.67854351556101 15.999 > 10 39 O 0.45448465686738 0.99033213803229 0.67854351556101 15.999 > 10 40 O 0.95448465686738 0.99033213803229 0.67854351556101 15.999 > 10 *41 O 0.44825897391168 0.37500000000000 0.92992266747986 15.999 > 11 42 O 0.94825897391168 0.37500000000000 0.92992266747986 15.999 > 11 43 O 0.44825897391168 0.87500000000000 0.92992266747986 15.999 > 11 44 O 0.94825897391168 0.87500000000000 0.92992266747986 15.999 > 11 45 O 0.30174102608832 0.12500000000000 0.42992266747986 15.999 > 12 46 O 0.80174102608832 0.12500000000000 0.42992266747986 15.999 > 12 47 O 0.30174102608832 0.62500000000000 0.42992266747986 15.999 > 12 48 O 0.80174102608832 0.62500000000000 0.42992266747986 15.999 > 12 49 O 0.29551534313262 0.24033213803229 0.17854351556101 15.999 > 13 50 O 0.79551534313262 0.24033213803229 0.17854351556101 15.999 > 13 51 O 0.29551534313262 0.74033213803229 0.17854351556101 15.999 > 13 52 O 0.79551534313262 0.74033213803229 0.17854351556101 15.999 > 13 53 O 0.29551534313262 0.00966786196771 0.17854351556101 15.999 > 14 54 O 0.79551534313262 0.00966786196771 0.17854351556101 15.999 > 14 55 O 0.29551534313262 0.50966786196771 0.17854351556101 15.999 > 14 56 O 0.79551534313262 0.50966786196771 0.17854351556101 15.999 > 14 57 O 0.20448465686738 0.49033213803229 0.82145648443899 15.999 > 15 58 O 0.70448465686738 0.49033213803229 0.82145648443899 15.999 > 15 59 O 0.20448465686738 0.99033213803229 0.82145648443899 15.999 > 15 60 O 0.70448465686738 0.99033213803229 0.82145648443899 15.999 > 15 61 O 0.20448465686738 0.25966786196771 0.82145648443899 15.999 > 16 62 O 0.70448465686738 0.25966786196771 0.82145648443899 15.999 > 16 63 O 0.20448465686738 0.75966786196771 0.82145648443899 15.999 > 16 64 O 0.70448465686738 0.75966786196771 0.82145648443899 15.999 > 16 65 O 0.19825897391167 0.37500000000000 0.57007733252014 15.999 > 17 66 O 0.69825897391168 0.37500000000000 0.57007733252014 15.999 > 17 67 O 0.19825897391167 0.87500000000000 0.57007733252014 15.999 > 17 68 O 0.69825897391168 0.87500000000000 0.57007733252014 15.999 > 17 69 O 0.05174102608833 0.12500000000000 0.07007733252014 15.999 > 18 70 O 0.55174102608832 0.12500000000000 0.07007733252014 15.999 > 18 71 O 0.05174102608833 0.62500000000000 0.07007733252014 15.999 > 18 72 O 0.55174102608832 0.62500000000000 0.07007733252014 15.999 > 18 73 O 0.04551534313262 0.00966786196771 0.32145648443899 15.999 > 19 74 O 0.54551534313262 0.00966786196771 0.32145648443899 15.999 > 19 75 O 0.04551534313262 0.50966786196771 0.32145648443899 15.999 > 19 76 O 0.54551534313262 0.50966786196771 0.32145648443899 15.999 > 19 77 O 0.04551534313262 0.24033213803229 0.32145648443899 15.999 > 20 78 O 0.54551534313262 0.24033213803229 0.32145648443899 15.999 > 20 79 O 0.04551534313262 0.74033213803229 0.32145648443899 15.999 > 20 80 O 0.54551534313262 0.74033213803229 0.32145648443899 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6826018 0.0000000 0.0000000 0.0000000 3.2891674 0.0000000 0.0000000 0.0000000 3.2876785 -------------------------- Born effective charges -------------------------- 1 Yb 2.4435092 0.0000000 0.0556814 0.0000000 2.6602945 0.0000000 -0.1525379 0.0000000 2.5776337 2 Yb 2.4435092 0.0000000 -0.0556814 0.0000000 2.6602945 0.0000000 0.1525379 0.0000000 2.5776337 3 Yb 2.4435092 0.0000000 -0.0556814 0.0000000 2.6602945 0.0000000 0.1525379 0.0000000 2.5776337 4 Yb 2.4435092 0.0000000 0.0556814 0.0000000 2.6602945 0.0000000 -0.1525379 0.0000000 2.5776337 5 C 0.4773112 0.0000000 -0.0386395 0.0000000 2.7697188 0.0000000 -0.0633105 0.0000000 2.8721872 6 C 0.4773112 0.0000000 0.0386395 0.0000000 2.7697188 0.0000000 0.0633105 0.0000000 2.8721872 7 C 0.4773112 0.0000000 0.0386395 0.0000000 2.7697188 0.0000000 0.0633105 0.0000000 2.8721872 8 C 0.4773112 0.0000000 -0.0386395 0.0000000 2.7697188 0.0000000 -0.0633105 0.0000000 2.8721872 9 O -0.9719665 0.1165073 0.0841862 0.1724519 -2.0724192 -0.3764683 0.1051250 -0.4166563 -1.5980881 10 O -0.9719665 -0.1165073 0.0841862 -0.1724519 -2.0724192 0.3764683 0.1051250 0.4166563 -1.5980881 11 O -0.9768874 0.0000000 -0.1312095 0.0000000 -1.2851749 0.0000000 -0.1705119 0.0000000 -2.2536447 12 O -0.9768874 0.0000000 0.1312095 0.0000000 -1.2851749 0.0000000 0.1705119 0.0000000 -2.2536447 13 O -0.9719665 0.1165073 -0.0841862 0.1724519 -2.0724192 0.3764683 -0.1051250 0.4166563 -1.5980881 14 O -0.9719665 -0.1165073 -0.0841862 -0.1724519 -2.0724192 -0.3764683 -0.1051250 -0.4166563 -1.5980881 15 O -0.9719665 -0.1165073 -0.0841862 -0.1724519 -2.0724192 -0.3764683 -0.1051250 -0.4166563 -1.5980881 16 O -0.9719665 0.1165073 -0.0841862 0.1724519 -2.0724192 0.3764683 -0.1051250 0.4166563 -1.5980881 17 O -0.9768874 0.0000000 0.1312095 0.0000000 -1.2851749 0.0000000 0.1705119 0.0000000 -2.2536447 18 O -0.9768874 0.0000000 -0.1312095 0.0000000 -1.2851749 0.0000000 -0.1705119 0.0000000 -2.2536447 19 O -0.9719665 -0.1165073 0.0841862 -0.1724519 -2.0724192 0.3764683 0.1051250 0.4166563 -1.5980881 20 O -0.9719665 0.1165073 0.0841862 0.1724519 -2.0724192 -0.3764683 0.1051250 -0.4166563 -1.5980881 ---------------------------------------------------------------------------- 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: 978 Number of blocks in projector: 978 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: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 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: - (978, 954), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (164, 162), data: True |-- (164, 162), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.728 Solver_block: 200 / 320 - Time: 0.732 Solver_block: 300 / 320 - Time: 0.733 Solver_block: 320 / 320 - Time: 0.190 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.397 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 978 Number of blocks in projector: 978 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: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 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: - (978, 954), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (164, 162), data: True |-- (164, 162), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:39:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:39:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.490236370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.835159210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.707780190000000 Atomic positions (fractional): 1 Yb 0.76081082519780 0.75000000000000 0.41523167957976 173.054 2 Yb 0.73918917480220 0.25000000000000 0.91523167957976 173.054 3 Yb 0.26081082519780 0.75000000000000 0.08476832042024 173.054 4 Yb 0.23918917480220 0.25000000000000 0.58476832042024 173.054 5 C 0.90987127117491 0.75000000000000 0.76348555654587 12.011 6 C 0.59012872882509 0.25000000000000 0.26348555654587 12.011 7 C 0.40987127117491 0.75000000000000 0.73651444345413 12.011 8 C 0.09012872882509 0.25000000000000 0.23651444345413 12.011 9 O 0.90896931373476 0.51933572393542 0.67854351556101 15.999 10 O 0.90896931373476 0.98066427606458 0.67854351556101 15.999 11 O 0.89651794782335 0.75000000000000 0.92992266747986 15.999 12 O 0.60348205217665 0.25000000000000 0.42992266747986 15.999 13 O 0.59103068626524 0.48066427606458 0.17854351556101 15.999 14 O 0.59103068626524 0.01933572393542 0.17854351556101 15.999 15 O 0.40896931373476 0.98066427606458 0.82145648443899 15.999 16 O 0.40896931373476 0.51933572393542 0.82145648443899 15.999 17 O 0.39651794782335 0.75000000000000 0.57007733252014 15.999 18 O 0.10348205217665 0.25000000000000 0.07007733252014 15.999 19 O 0.09103068626524 0.01933572393542 0.32145648443899 15.999 20 O 0.09103068626524 0.48066427606458 0.32145648443899 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.980472740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.670318419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.707780190000000 Atomic positions (fractional): 1 Yb 0.38040541259890 0.37500000000000 0.41523167957976 173.054 > 1 2 Yb 0.88040541259890 0.37500000000000 0.41523167957976 173.054 > 1 3 Yb 0.38040541259890 0.87500000000000 0.41523167957976 173.054 > 1 4 Yb 0.88040541259890 0.87500000000000 0.41523167957976 173.054 > 1 5 Yb 0.36959458740110 0.12500000000000 0.91523167957976 173.054 > 5 6 Yb 0.86959458740110 0.12500000000000 0.91523167957976 173.054 > 5 7 Yb 0.36959458740110 0.62500000000000 0.91523167957976 173.054 > 5 8 Yb 0.86959458740110 0.62500000000000 0.91523167957976 173.054 > 5 9 Yb 0.13040541259890 0.37500000000000 0.08476832042024 173.054 > 9 10 Yb 0.63040541259890 0.37500000000000 0.08476832042024 173.054 > 9 11 Yb 0.13040541259890 0.87500000000000 0.08476832042024 173.054 > 9 12 Yb 0.63040541259890 0.87500000000000 0.08476832042024 173.054 > 9 13 Yb 0.11959458740110 0.12500000000000 0.58476832042024 173.054 > 13 14 Yb 0.61959458740110 0.12500000000000 0.58476832042024 173.054 > 13 15 Yb 0.11959458740110 0.62500000000000 0.58476832042024 173.054 > 13 16 Yb 0.61959458740110 0.62500000000000 0.58476832042024 173.054 > 13 17 C 0.45493563558746 0.37500000000000 0.76348555654587 12.011 > 17 18 C 0.95493563558746 0.37500000000000 0.76348555654587 12.011 > 17 19 C 0.45493563558746 0.87500000000000 0.76348555654587 12.011 > 17 20 C 0.95493563558746 0.87500000000000 0.76348555654587 12.011 > 17 21 C 0.29506436441254 0.12500000000000 0.26348555654587 12.011 > 21 22 C 0.79506436441254 0.12500000000000 0.26348555654587 12.011 > 21 23 C 0.29506436441254 0.62500000000000 0.26348555654587 12.011 > 21 24 C 0.79506436441254 0.62500000000000 0.26348555654587 12.011 > 21 25 C 0.20493563558746 0.37500000000000 0.73651444345413 12.011 > 25 26 C 0.70493563558746 0.37500000000000 0.73651444345413 12.011 > 25 27 C 0.20493563558746 0.87500000000000 0.73651444345413 12.011 > 25 28 C 0.70493563558746 0.87500000000000 0.73651444345413 12.011 > 25 29 C 0.04506436441254 0.12500000000000 0.23651444345413 12.011 > 29 30 C 0.54506436441254 0.12500000000000 0.23651444345413 12.011 > 29 31 C 0.04506436441254 0.62500000000000 0.23651444345413 12.011 > 29 32 C 0.54506436441254 0.62500000000000 0.23651444345413 12.011 > 29 33 O 0.45448465686738 0.25966786196771 0.67854351556101 15.999 > 33 34 O 0.95448465686738 0.25966786196771 0.67854351556101 15.999 > 33 35 O 0.45448465686738 0.75966786196771 0.67854351556101 15.999 > 33 36 O 0.95448465686738 0.75966786196771 0.67854351556101 15.999 > 33 37 O 0.45448465686738 0.49033213803229 0.67854351556101 15.999 > 37 38 O 0.95448465686738 0.49033213803229 0.67854351556101 15.999 > 37 39 O 0.45448465686738 0.99033213803229 0.67854351556101 15.999 > 37 40 O 0.95448465686738 0.99033213803229 0.67854351556101 15.999 > 37 41 O 0.44825897391168 0.37500000000000 0.92992266747986 15.999 > 41 42 O 0.94825897391168 0.37500000000000 0.92992266747986 15.999 > 41 43 O 0.44825897391168 0.87500000000000 0.92992266747986 15.999 > 41 44 O 0.94825897391168 0.87500000000000 0.92992266747986 15.999 > 41 45 O 0.30174102608832 0.12500000000000 0.42992266747986 15.999 > 45 46 O 0.80174102608832 0.12500000000000 0.42992266747986 15.999 > 45 47 O 0.30174102608832 0.62500000000000 0.42992266747986 15.999 > 45 48 O 0.80174102608832 0.62500000000000 0.42992266747986 15.999 > 45 49 O 0.29551534313262 0.24033213803229 0.17854351556101 15.999 > 49 50 O 0.79551534313262 0.24033213803229 0.17854351556101 15.999 > 49 51 O 0.29551534313262 0.74033213803229 0.17854351556101 15.999 > 49 52 O 0.79551534313262 0.74033213803229 0.17854351556101 15.999 > 49 53 O 0.29551534313262 0.00966786196771 0.17854351556101 15.999 > 53 54 O 0.79551534313262 0.00966786196771 0.17854351556101 15.999 > 53 55 O 0.29551534313262 0.50966786196771 0.17854351556101 15.999 > 53 56 O 0.79551534313262 0.50966786196771 0.17854351556101 15.999 > 53 57 O 0.20448465686738 0.49033213803229 0.82145648443899 15.999 > 57 58 O 0.70448465686738 0.49033213803229 0.82145648443899 15.999 > 57 59 O 0.20448465686738 0.99033213803229 0.82145648443899 15.999 > 57 60 O 0.70448465686738 0.99033213803229 0.82145648443899 15.999 > 57 61 O 0.20448465686738 0.25966786196771 0.82145648443899 15.999 > 61 62 O 0.70448465686738 0.25966786196771 0.82145648443899 15.999 > 61 63 O 0.20448465686738 0.75966786196771 0.82145648443899 15.999 > 61 64 O 0.70448465686738 0.75966786196771 0.82145648443899 15.999 > 61 65 O 0.19825897391167 0.37500000000000 0.57007733252014 15.999 > 65 66 O 0.69825897391168 0.37500000000000 0.57007733252014 15.999 > 65 67 O 0.19825897391167 0.87500000000000 0.57007733252014 15.999 > 65 68 O 0.69825897391168 0.87500000000000 0.57007733252014 15.999 > 65 69 O 0.05174102608833 0.12500000000000 0.07007733252014 15.999 > 69 70 O 0.55174102608832 0.12500000000000 0.07007733252014 15.999 > 69 71 O 0.05174102608833 0.62500000000000 0.07007733252014 15.999 > 69 72 O 0.55174102608832 0.62500000000000 0.07007733252014 15.999 > 69 73 O 0.04551534313262 0.00966786196771 0.32145648443899 15.999 > 73 74 O 0.54551534313262 0.00966786196771 0.32145648443899 15.999 > 73 75 O 0.04551534313262 0.50966786196771 0.32145648443899 15.999 > 73 76 O 0.54551534313262 0.50966786196771 0.32145648443899 15.999 > 73 77 O 0.04551534313262 0.24033213803229 0.32145648443899 15.999 > 77 78 O 0.54551534313262 0.24033213803229 0.32145648443899 15.999 > 77 79 O 0.04551534313262 0.74033213803229 0.32145648443899 15.999 > 77 80 O 0.54551534313262 0.74033213803229 0.32145648443899 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6826018 0.0000000 0.0000000 0.0000000 3.2891674 0.0000000 0.0000000 0.0000000 3.2876785 -------------------------- Born effective charges -------------------------- 1 Yb 2.4435092 0.0000000 0.0556814 0.0000000 2.6602945 0.0000000 -0.1525379 0.0000000 2.5776337 2 Yb 2.4435092 0.0000000 -0.0556814 0.0000000 2.6602945 0.0000000 0.1525379 0.0000000 2.5776337 3 Yb 2.4435092 0.0000000 -0.0556814 0.0000000 2.6602945 0.0000000 0.1525379 0.0000000 2.5776337 4 Yb 2.4435092 0.0000000 0.0556814 0.0000000 2.6602945 0.0000000 -0.1525379 0.0000000 2.5776337 5 C 0.4773112 0.0000000 -0.0386395 0.0000000 2.7697188 0.0000000 -0.0633105 0.0000000 2.8721872 6 C 0.4773112 0.0000000 0.0386395 0.0000000 2.7697188 0.0000000 0.0633105 0.0000000 2.8721872 7 C 0.4773112 0.0000000 0.0386395 0.0000000 2.7697188 0.0000000 0.0633105 0.0000000 2.8721872 8 C 0.4773112 0.0000000 -0.0386395 0.0000000 2.7697188 0.0000000 -0.0633105 0.0000000 2.8721872 9 O -0.9719665 0.1165073 0.0841862 0.1724519 -2.0724192 -0.3764683 0.1051250 -0.4166563 -1.5980881 10 O -0.9719665 -0.1165073 0.0841862 -0.1724519 -2.0724192 0.3764683 0.1051250 0.4166563 -1.5980881 11 O -0.9768874 0.0000000 -0.1312095 0.0000000 -1.2851749 0.0000000 -0.1705119 0.0000000 -2.2536447 12 O -0.9768874 0.0000000 0.1312095 0.0000000 -1.2851749 0.0000000 0.1705119 0.0000000 -2.2536447 13 O -0.9719665 0.1165073 -0.0841862 0.1724519 -2.0724192 0.3764683 -0.1051250 0.4166563 -1.5980881 14 O -0.9719665 -0.1165073 -0.0841862 -0.1724519 -2.0724192 -0.3764683 -0.1051250 -0.4166563 -1.5980881 15 O -0.9719665 -0.1165073 -0.0841862 -0.1724519 -2.0724192 -0.3764683 -0.1051250 -0.4166563 -1.5980881 16 O -0.9719665 0.1165073 -0.0841862 0.1724519 -2.0724192 0.3764683 -0.1051250 0.4166563 -1.5980881 17 O -0.9768874 0.0000000 0.1312095 0.0000000 -1.2851749 0.0000000 0.1705119 0.0000000 -2.2536447 18 O -0.9768874 0.0000000 -0.1312095 0.0000000 -1.2851749 0.0000000 -0.1705119 0.0000000 -2.2536447 19 O -0.9719665 -0.1165073 0.0841862 -0.1724519 -2.0724192 0.3764683 0.1051250 0.4166563 -1.5980881 20 O -0.9719665 0.1165073 0.0841862 0.1724519 -2.0724192 -0.3764683 0.1051250 -0.4166563 -1.5980881 ---------------------------------------------------------------------------- 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[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000026 (yzy) 0.00000026 (yzy) 0.00000026 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (xz) 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 23:39:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:39:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.490236370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.835159210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.707780190000000 Atomic positions (fractional): 1 Yb 0.76081082519780 0.75000000000000 0.41523167957976 173.054 2 Yb 0.73918917480220 0.25000000000000 0.91523167957976 173.054 3 Yb 0.26081082519780 0.75000000000000 0.08476832042024 173.054 4 Yb 0.23918917480220 0.25000000000000 0.58476832042024 173.054 5 C 0.90987127117491 0.75000000000000 0.76348555654587 12.011 6 C 0.59012872882509 0.25000000000000 0.26348555654587 12.011 7 C 0.40987127117491 0.75000000000000 0.73651444345413 12.011 8 C 0.09012872882509 0.25000000000000 0.23651444345413 12.011 9 O 0.90896931373476 0.51933572393542 0.67854351556101 15.999 10 O 0.90896931373476 0.98066427606458 0.67854351556101 15.999 11 O 0.89651794782335 0.75000000000000 0.92992266747986 15.999 12 O 0.60348205217665 0.25000000000000 0.42992266747986 15.999 13 O 0.59103068626524 0.48066427606458 0.17854351556101 15.999 14 O 0.59103068626524 0.01933572393542 0.17854351556101 15.999 15 O 0.40896931373476 0.98066427606458 0.82145648443899 15.999 16 O 0.40896931373476 0.51933572393542 0.82145648443899 15.999 17 O 0.39651794782335 0.75000000000000 0.57007733252014 15.999 18 O 0.10348205217665 0.25000000000000 0.07007733252014 15.999 19 O 0.09103068626524 0.01933572393542 0.32145648443899 15.999 20 O 0.09103068626524 0.48066427606458 0.32145648443899 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.980472740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.670318419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.707780190000000 Atomic positions (fractional): 1 Yb 0.38040541259890 0.37500000000000 0.41523167957976 173.054 > 1 2 Yb 0.88040541259890 0.37500000000000 0.41523167957976 173.054 > 1 3 Yb 0.38040541259890 0.87500000000000 0.41523167957976 173.054 > 1 4 Yb 0.88040541259890 0.87500000000000 0.41523167957976 173.054 > 1 5 Yb 0.36959458740110 0.12500000000000 0.91523167957976 173.054 > 5 6 Yb 0.86959458740110 0.12500000000000 0.91523167957976 173.054 > 5 7 Yb 0.36959458740110 0.62500000000000 0.91523167957976 173.054 > 5 8 Yb 0.86959458740110 0.62500000000000 0.91523167957976 173.054 > 5 9 Yb 0.13040541259890 0.37500000000000 0.08476832042024 173.054 > 9 10 Yb 0.63040541259890 0.37500000000000 0.08476832042024 173.054 > 9 11 Yb 0.13040541259890 0.87500000000000 0.08476832042024 173.054 > 9 12 Yb 0.63040541259890 0.87500000000000 0.08476832042024 173.054 > 9 13 Yb 0.11959458740110 0.12500000000000 0.58476832042024 173.054 > 13 14 Yb 0.61959458740110 0.12500000000000 0.58476832042024 173.054 > 13 15 Yb 0.11959458740110 0.62500000000000 0.58476832042024 173.054 > 13 16 Yb 0.61959458740110 0.62500000000000 0.58476832042024 173.054 > 13 17 C 0.45493563558746 0.37500000000000 0.76348555654587 12.011 > 17 18 C 0.95493563558746 0.37500000000000 0.76348555654587 12.011 > 17 19 C 0.45493563558746 0.87500000000000 0.76348555654587 12.011 > 17 20 C 0.95493563558746 0.87500000000000 0.76348555654587 12.011 > 17 21 C 0.29506436441254 0.12500000000000 0.26348555654587 12.011 > 21 22 C 0.79506436441254 0.12500000000000 0.26348555654587 12.011 > 21 23 C 0.29506436441254 0.62500000000000 0.26348555654587 12.011 > 21 24 C 0.79506436441254 0.62500000000000 0.26348555654587 12.011 > 21 25 C 0.20493563558746 0.37500000000000 0.73651444345413 12.011 > 25 26 C 0.70493563558746 0.37500000000000 0.73651444345413 12.011 > 25 27 C 0.20493563558746 0.87500000000000 0.73651444345413 12.011 > 25 28 C 0.70493563558746 0.87500000000000 0.73651444345413 12.011 > 25 29 C 0.04506436441254 0.12500000000000 0.23651444345413 12.011 > 29 30 C 0.54506436441254 0.12500000000000 0.23651444345413 12.011 > 29 31 C 0.04506436441254 0.62500000000000 0.23651444345413 12.011 > 29 32 C 0.54506436441254 0.62500000000000 0.23651444345413 12.011 > 29 33 O 0.45448465686738 0.25966786196771 0.67854351556101 15.999 > 33 34 O 0.95448465686738 0.25966786196771 0.67854351556101 15.999 > 33 35 O 0.45448465686738 0.75966786196771 0.67854351556101 15.999 > 33 36 O 0.95448465686738 0.75966786196771 0.67854351556101 15.999 > 33 37 O 0.45448465686738 0.49033213803229 0.67854351556101 15.999 > 37 38 O 0.95448465686738 0.49033213803229 0.67854351556101 15.999 > 37 39 O 0.45448465686738 0.99033213803229 0.67854351556101 15.999 > 37 40 O 0.95448465686738 0.99033213803229 0.67854351556101 15.999 > 37 41 O 0.44825897391168 0.37500000000000 0.92992266747986 15.999 > 41 42 O 0.94825897391168 0.37500000000000 0.92992266747986 15.999 > 41 43 O 0.44825897391168 0.87500000000000 0.92992266747986 15.999 > 41 44 O 0.94825897391168 0.87500000000000 0.92992266747986 15.999 > 41 45 O 0.30174102608832 0.12500000000000 0.42992266747986 15.999 > 45 46 O 0.80174102608832 0.12500000000000 0.42992266747986 15.999 > 45 47 O 0.30174102608832 0.62500000000000 0.42992266747986 15.999 > 45 48 O 0.80174102608832 0.62500000000000 0.42992266747986 15.999 > 45 49 O 0.29551534313262 0.24033213803229 0.17854351556101 15.999 > 49 50 O 0.79551534313262 0.24033213803229 0.17854351556101 15.999 > 49 51 O 0.29551534313262 0.74033213803229 0.17854351556101 15.999 > 49 52 O 0.79551534313262 0.74033213803229 0.17854351556101 15.999 > 49 53 O 0.29551534313262 0.00966786196771 0.17854351556101 15.999 > 53 54 O 0.79551534313262 0.00966786196771 0.17854351556101 15.999 > 53 55 O 0.29551534313262 0.50966786196771 0.17854351556101 15.999 > 53 56 O 0.79551534313262 0.50966786196771 0.17854351556101 15.999 > 53 57 O 0.20448465686738 0.49033213803229 0.82145648443899 15.999 > 57 58 O 0.70448465686738 0.49033213803229 0.82145648443899 15.999 > 57 59 O 0.20448465686738 0.99033213803229 0.82145648443899 15.999 > 57 60 O 0.70448465686738 0.99033213803229 0.82145648443899 15.999 > 57 61 O 0.20448465686738 0.25966786196771 0.82145648443899 15.999 > 61 62 O 0.70448465686738 0.25966786196771 0.82145648443899 15.999 > 61 63 O 0.20448465686738 0.75966786196771 0.82145648443899 15.999 > 61 64 O 0.70448465686738 0.75966786196771 0.82145648443899 15.999 > 61 65 O 0.19825897391167 0.37500000000000 0.57007733252014 15.999 > 65 66 O 0.69825897391168 0.37500000000000 0.57007733252014 15.999 > 65 67 O 0.19825897391167 0.87500000000000 0.57007733252014 15.999 > 65 68 O 0.69825897391168 0.87500000000000 0.57007733252014 15.999 > 65 69 O 0.05174102608833 0.12500000000000 0.07007733252014 15.999 > 69 70 O 0.55174102608832 0.12500000000000 0.07007733252014 15.999 > 69 71 O 0.05174102608833 0.62500000000000 0.07007733252014 15.999 > 69 72 O 0.55174102608832 0.62500000000000 0.07007733252014 15.999 > 69 73 O 0.04551534313262 0.00966786196771 0.32145648443899 15.999 > 73 74 O 0.54551534313262 0.00966786196771 0.32145648443899 15.999 > 73 75 O 0.04551534313262 0.50966786196771 0.32145648443899 15.999 > 73 76 O 0.54551534313262 0.50966786196771 0.32145648443899 15.999 > 73 77 O 0.04551534313262 0.24033213803229 0.32145648443899 15.999 > 77 78 O 0.54551534313262 0.24033213803229 0.32145648443899 15.999 > 77 79 O 0.04551534313262 0.74033213803229 0.32145648443899 15.999 > 77 80 O 0.54551534313262 0.74033213803229 0.32145648443899 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6826018 0.0000000 0.0000000 0.0000000 3.2891674 0.0000000 0.0000000 0.0000000 3.2876785 -------------------------- Born effective charges -------------------------- 1 Yb 2.4435092 0.0000000 0.0556814 0.0000000 2.6602945 0.0000000 -0.1525379 0.0000000 2.5776337 2 Yb 2.4435092 0.0000000 -0.0556814 0.0000000 2.6602945 0.0000000 0.1525379 0.0000000 2.5776337 3 Yb 2.4435092 0.0000000 -0.0556814 0.0000000 2.6602945 0.0000000 0.1525379 0.0000000 2.5776337 4 Yb 2.4435092 0.0000000 0.0556814 0.0000000 2.6602945 0.0000000 -0.1525379 0.0000000 2.5776337 5 C 0.4773112 0.0000000 -0.0386395 0.0000000 2.7697188 0.0000000 -0.0633105 0.0000000 2.8721872 6 C 0.4773112 0.0000000 0.0386395 0.0000000 2.7697188 0.0000000 0.0633105 0.0000000 2.8721872 7 C 0.4773112 0.0000000 0.0386395 0.0000000 2.7697188 0.0000000 0.0633105 0.0000000 2.8721872 8 C 0.4773112 0.0000000 -0.0386395 0.0000000 2.7697188 0.0000000 -0.0633105 0.0000000 2.8721872 9 O -0.9719665 0.1165073 0.0841862 0.1724519 -2.0724192 -0.3764683 0.1051250 -0.4166563 -1.5980881 10 O -0.9719665 -0.1165073 0.0841862 -0.1724519 -2.0724192 0.3764683 0.1051250 0.4166563 -1.5980881 11 O -0.9768874 0.0000000 -0.1312095 0.0000000 -1.2851749 0.0000000 -0.1705119 0.0000000 -2.2536447 12 O -0.9768874 0.0000000 0.1312095 0.0000000 -1.2851749 0.0000000 0.1705119 0.0000000 -2.2536447 13 O -0.9719665 0.1165073 -0.0841862 0.1724519 -2.0724192 0.3764683 -0.1051250 0.4166563 -1.5980881 14 O -0.9719665 -0.1165073 -0.0841862 -0.1724519 -2.0724192 -0.3764683 -0.1051250 -0.4166563 -1.5980881 15 O -0.9719665 -0.1165073 -0.0841862 -0.1724519 -2.0724192 -0.3764683 -0.1051250 -0.4166563 -1.5980881 16 O -0.9719665 0.1165073 -0.0841862 0.1724519 -2.0724192 0.3764683 -0.1051250 0.4166563 -1.5980881 17 O -0.9768874 0.0000000 0.1312095 0.0000000 -1.2851749 0.0000000 0.1705119 0.0000000 -2.2536447 18 O -0.9768874 0.0000000 -0.1312095 0.0000000 -1.2851749 0.0000000 -0.1705119 0.0000000 -2.2536447 19 O -0.9719665 -0.1165073 0.0841862 -0.1724519 -2.0724192 0.3764683 0.1051250 0.4166563 -1.5980881 20 O -0.9719665 0.1165073 0.0841862 0.1724519 -2.0724192 -0.3764683 0.1051250 -0.4166563 -1.5980881 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000026 (yzy) 0.00000026 (yzy) 0.00000026 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 10 6 ] 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: 0.70, Number of G-points: 311, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.458 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.228 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.788 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.311 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 0.000) 0.000 9.377 ( 0.000 0.000 0.000) 0.000 10.025 ( 0.000 0.000 0.000) 0.000 19.999 ( 0.000 0.000 0.000) 0.000 20.240 ( 0.000 0.000 0.000) 0.000 20.246 ( 0.000 0.000 0.000) 0.000 20.463 ( 0.000 0.000 0.000) 0.000 20.503 ( 0.000 0.000 0.000) 0.000 20.719 ( 0.000 0.000 0.000) 0.000 21.050 ( 0.000 0.000 0.000) 0.000 21.091 ( 0.000 0.000 0.000) 0.000 24.142 ( 0.000 0.000 0.000) 0.000 24.178 ( 0.000 0.000 0.000) 0.000 25.763 ( 0.000 0.000 0.000) 0.000 25.837 ( 0.000 0.000 0.000) 0.000 32.623 ( 0.000 0.000 0.000) 0.000 32.639 ( 0.000 0.000 0.000) 0.000 32.748 ( 0.000 0.000 0.000) 0.000 32.806 ( 0.000 0.000 0.000) 0.000 42.319 ( 0.000 0.000 0.000) 0.000 42.993 ( 0.000 0.000 0.000) 0.000 43.988 ( 0.000 0.000 0.000) 0.000 44.260 ( 0.000 0.000 0.000) 0.000 44.405 ( 0.000 0.000 0.000) 0.000 44.507 ( 0.000 0.000 0.000) 0.000 44.696 ( 0.000 0.000 0.000) 0.000 47.838 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.405 ( 19.956 0.000 0.000) 19.956 0.538 ( 26.166 0.000 0.000) 26.166 0.838 ( 40.645 0.000 0.000) 40.645 2.465 ( 0.646 0.000 0.000) 0.646 2.483 ( -5.322 0.000 0.000) 5.322 2.582 ( -3.408 0.000 0.000) 3.408 2.604 ( -6.120 0.000 0.000) 6.120 2.682 ( 0.334 0.000 0.000) 0.334 3.130 ( 7.538 0.000 0.000) 7.538 3.165 ( -4.938 0.000 0.000) 4.938 3.232 ( 3.982 0.000 0.000) 3.982 4.058 ( -4.078 0.000 0.000) 4.078 4.120 ( -4.640 0.000 0.000) 4.640 4.199 ( -1.751 0.000 0.000) 1.751 5.205 ( 2.297 0.000 0.000) 2.297 5.321 ( 8.906 0.000 0.000) 8.906 5.369 ( 0.646 0.000 0.000) 0.646 5.385 ( 2.601 0.000 0.000) 2.601 5.870 ( 0.681 0.000 0.000) 0.681 5.961 ( 2.312 0.000 0.000) 2.312 6.103 ( 3.305 0.000 0.000) 3.305 6.238 ( 4.074 0.000 0.000) 4.074 6.367 ( 5.341 0.000 0.000) 5.341 6.511 ( 6.192 0.000 0.000) 6.192 6.799 ( 1.159 0.000 0.000) 1.159 7.149 ( -5.691 0.000 0.000) 5.691 7.449 ( 8.600 0.000 0.000) 8.600 7.771 ( -2.162 0.000 0.000) 2.162 8.413 ( 4.307 0.000 0.000) 4.307 8.424 ( -6.782 0.000 0.000) 6.782 8.600 ( 1.072 0.000 0.000) 1.072 9.046 ( -3.813 0.000 0.000) 3.813 9.053 ( -6.988 0.000 0.000) 6.988 9.222 ( -8.594 0.000 0.000) 8.594 9.442 ( 1.876 0.000 0.000) 1.876 9.975 ( -4.874 0.000 0.000) 4.874 20.006 ( 0.702 0.000 0.000) 0.702 20.239 ( -0.760 0.000 0.000) 0.760 20.248 ( 0.761 0.000 0.000) 0.761 20.472 ( 0.876 0.000 0.000) 0.876 20.495 ( -0.798 0.000 0.000) 0.798 20.714 ( -0.461 0.000 0.000) 0.461 21.052 ( 0.129 0.000 0.000) 0.129 21.088 ( -0.271 0.000 0.000) 0.271 24.242 ( 6.200 0.000 0.000) 6.200 24.880 ( 2.786 0.000 0.000) 2.786 25.730 ( -3.178 0.000 0.000) 3.178 25.804 ( -3.180 0.000 0.000) 3.180 32.627 ( 0.405 0.000 0.000) 0.405 32.664 ( -0.084 0.000 0.000) 0.084 32.747 ( -0.101 0.000 0.000) 0.101 32.802 ( -0.341 0.000 0.000) 0.341 42.363 ( 4.309 0.000 0.000) 4.309 43.031 ( 3.782 0.000 0.000) 3.782 43.926 ( -5.904 0.000 0.000) 5.904 44.227 ( -3.341 0.000 0.000) 3.341 44.429 ( 1.444 0.000 0.000) 1.444 44.576 ( 7.532 0.000 0.000) 7.532 44.685 ( -1.107 0.000 0.000) 1.107 47.718 ( -11.722 0.000 0.000) 11.722 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.806 ( 19.569 0.000 0.000) 19.569 1.051 ( 24.308 0.000 0.000) 24.308 1.630 ( 37.239 0.000 0.000) 37.239 2.341 ( -8.570 0.000 0.000) 8.570 2.480 ( -5.509 0.000 0.000) 5.509 2.483 ( 1.153 0.000 0.000) 1.153 2.484 ( -6.148 0.000 0.000) 6.148 2.674 ( -1.099 0.000 0.000) 1.099 3.023 ( -8.916 0.000 0.000) 8.916 3.307 ( 9.492 0.000 0.000) 9.492 3.337 ( 5.948 0.000 0.000) 5.948 3.932 ( -8.482 0.000 0.000) 8.482 3.999 ( -6.901 0.000 0.000) 6.901 4.142 ( -3.913 0.000 0.000) 3.913 5.269 ( 3.952 0.000 0.000) 3.952 5.387 ( 1.172 0.000 0.000) 1.172 5.440 ( 2.347 0.000 0.000) 2.347 5.560 ( 13.594 0.000 0.000) 13.594 5.829 ( -4.242 0.000 0.000) 4.242 6.009 ( 2.138 0.000 0.000) 2.138 6.254 ( 10.460 0.000 0.000) 10.460 6.362 ( 7.967 0.000 0.000) 7.967 6.534 ( 11.703 0.000 0.000) 11.703 6.687 ( 9.806 0.000 0.000) 9.806 6.849 ( 5.194 0.000 0.000) 5.194 7.046 ( -4.466 0.000 0.000) 4.466 7.633 ( 9.259 0.000 0.000) 9.259 7.714 ( -3.164 0.000 0.000) 3.164 8.223 ( -12.922 0.000 0.000) 12.922 8.539 ( 7.828 0.000 0.000) 7.828 8.594 ( -2.981 0.000 0.000) 2.981 8.846 ( -13.336 0.000 0.000) 13.336 8.971 ( -2.125 0.000 0.000) 2.125 9.027 ( -10.355 0.000 0.000) 10.355 9.445 ( -1.536 0.000 0.000) 1.536 9.831 ( -9.137 0.000 0.000) 9.137 20.027 ( 1.328 0.000 0.000) 1.328 20.216 ( -1.418 0.000 0.000) 1.418 20.270 ( 1.432 0.000 0.000) 1.432 20.471 ( -1.490 0.000 0.000) 1.490 20.498 ( 1.629 0.000 0.000) 1.629 20.699 ( -1.065 0.000 0.000) 1.065 21.056 ( 0.226 0.000 0.000) 0.226 21.081 ( -0.352 0.000 0.000) 0.352 24.420 ( 11.107 0.000 0.000) 11.107 24.962 ( 5.214 0.000 0.000) 5.214 25.635 ( -6.270 0.000 0.000) 6.270 25.710 ( -6.053 0.000 0.000) 6.053 32.639 ( 0.697 0.000 0.000) 0.697 32.663 ( -0.035 0.000 0.000) 0.035 32.744 ( -0.162 0.000 0.000) 0.162 32.792 ( -0.657 0.000 0.000) 0.657 42.491 ( 8.262 0.000 0.000) 8.262 43.143 ( 7.138 0.000 0.000) 7.138 43.758 ( -10.456 0.000 0.000) 10.456 44.125 ( -6.711 0.000 0.000) 6.711 44.452 ( 1.030 0.000 0.000) 1.030 44.653 ( -1.985 0.000 0.000) 1.985 44.821 ( 16.319 0.000 0.000) 16.319 47.379 ( -21.187 0.000 0.000) 21.187 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.193 ( 18.618 0.000 0.000) 18.618 1.513 ( 21.104 0.000 0.000) 21.104 2.137 ( -11.574 0.000 0.000) 11.574 2.313 ( 13.514 0.000 0.000) 13.514 2.360 ( 10.541 0.000 0.000) 10.541 2.402 ( -1.746 0.000 0.000) 1.746 2.511 ( 1.588 0.000 0.000) 1.588 2.640 ( -2.150 0.000 0.000) 2.150 2.814 ( -11.333 0.000 0.000) 11.333 3.462 ( 6.258 0.000 0.000) 6.258 3.505 ( 9.977 0.000 0.000) 9.977 3.711 ( -13.505 0.000 0.000) 13.505 3.855 ( -7.103 0.000 0.000) 7.103 4.039 ( -6.288 0.000 0.000) 6.288 5.362 ( 5.139 0.000 0.000) 5.139 5.414 ( 1.465 0.000 0.000) 1.465 5.470 ( 0.586 0.000 0.000) 0.586 5.722 ( -5.741 0.000 0.000) 5.741 5.821 ( 10.766 0.000 0.000) 10.766 6.040 ( 0.817 0.000 0.000) 0.817 6.488 ( 12.388 0.000 0.000) 12.388 6.541 ( 9.127 0.000 0.000) 9.127 6.806 ( 2.877 0.000 0.000) 2.877 6.834 ( 16.781 0.000 0.000) 16.781 6.967 ( -3.455 0.000 0.000) 3.455 7.095 ( 17.498 0.000 0.000) 17.498 7.671 ( 0.161 0.000 0.000) 0.161 7.802 ( 6.224 0.000 0.000) 6.224 7.911 ( -17.585 0.000 0.000) 17.585 8.460 ( -8.695 0.000 0.000) 8.695 8.523 ( -18.168 0.000 0.000) 18.168 8.677 ( 0.561 0.000 0.000) 0.561 8.859 ( -0.887 0.000 0.000) 0.887 8.997 ( 4.212 0.000 0.000) 4.212 9.385 ( -4.188 0.000 0.000) 4.188 9.614 ( -12.099 0.000 0.000) 12.099 20.059 ( 1.809 0.000 0.000) 1.809 20.183 ( -1.889 0.000 0.000) 1.889 20.305 ( 1.936 0.000 0.000) 1.936 20.436 ( -1.989 0.000 0.000) 1.989 20.537 ( 2.154 0.000 0.000) 2.154 20.671 ( -1.731 0.000 0.000) 1.731 21.061 ( 0.257 0.000 0.000) 0.257 21.075 ( -0.275 0.000 0.000) 0.275 24.677 ( 13.893 0.000 0.000) 13.893 25.087 ( 7.004 0.000 0.000) 7.004 25.474 ( -9.697 0.000 0.000) 9.697 25.568 ( -7.712 0.000 0.000) 7.712 32.654 ( 0.700 0.000 0.000) 0.700 32.663 ( 0.100 0.000 0.000) 0.100 32.741 ( -0.034 0.000 0.000) 0.034 32.776 ( -0.875 0.000 0.000) 0.875 42.693 ( 11.486 0.000 0.000) 11.486 43.315 ( 9.665 0.000 0.000) 9.665 43.515 ( -13.262 0.000 0.000) 13.262 43.960 ( -9.444 0.000 0.000) 9.444 44.476 ( 1.441 0.000 0.000) 1.441 44.607 ( -2.454 0.000 0.000) 2.454 45.223 ( 22.995 0.000 0.000) 22.995 46.885 ( -27.022 0.000 0.000) 27.022 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.554 ( 16.923 0.000 0.000) 16.923 1.873 ( -14.485 0.000 0.000) 14.485 1.892 ( 15.993 0.000 0.000) 15.993 2.155 ( -10.385 0.000 0.000) 10.385 2.426 ( 4.522 0.000 0.000) 4.522 2.548 ( 2.044 0.000 0.000) 2.044 2.585 ( -10.529 0.000 0.000) 10.529 2.593 ( -2.368 0.000 0.000) 2.368 2.922 ( 25.765 0.000 0.000) 25.765 3.379 ( -19.370 0.000 0.000) 19.370 3.588 ( 6.232 0.000 0.000) 6.232 3.706 ( 9.627 0.000 0.000) 9.627 3.717 ( -6.569 0.000 0.000) 6.569 3.890 ( -8.344 0.000 0.000) 8.344 5.444 ( 1.392 0.000 0.000) 1.392 5.467 ( -0.770 0.000 0.000) 0.770 5.475 ( 5.930 0.000 0.000) 5.930 5.599 ( -6.221 0.000 0.000) 6.221 5.979 ( 4.942 0.000 0.000) 4.942 6.038 ( -1.243 0.000 0.000) 1.243 6.700 ( 5.483 0.000 0.000) 5.483 6.704 ( 6.319 0.000 0.000) 6.319 6.855 ( 2.295 0.000 0.000) 2.295 6.905 ( -2.710 0.000 0.000) 2.710 7.168 ( 16.403 0.000 0.000) 16.403 7.474 ( 18.733 0.000 0.000) 18.733 7.531 ( -19.189 0.000 0.000) 19.189 7.787 ( -9.662 0.000 0.000) 9.662 7.788 ( 12.465 0.000 0.000) 12.465 8.133 ( -19.597 0.000 0.000) 19.597 8.372 ( 2.669 0.000 0.000) 2.669 8.522 ( -9.960 0.000 0.000) 9.960 9.027 ( 11.017 0.000 0.000) 11.017 9.099 ( 4.457 0.000 0.000) 4.457 9.290 ( -4.235 0.000 0.000) 4.235 9.362 ( -11.682 0.000 0.000) 11.682 20.099 ( 2.086 0.000 0.000) 2.086 20.142 ( -2.117 0.000 0.000) 2.117 20.347 ( 2.217 0.000 0.000) 2.217 20.393 ( -2.238 0.000 0.000) 2.238 20.583 ( 2.369 0.000 0.000) 2.369 20.630 ( -2.220 0.000 0.000) 2.220 21.066 ( 0.227 0.000 0.000) 0.227 21.070 ( -0.211 0.000 0.000) 0.211 24.967 ( 14.360 0.000 0.000) 14.360 25.240 ( 8.001 0.000 0.000) 8.001 25.245 ( -12.782 0.000 0.000) 12.782 25.406 ( -8.208 0.000 0.000) 8.208 32.664 ( 0.295 0.000 0.000) 0.295 32.666 ( 0.086 0.000 0.000) 0.086 32.745 ( 0.429 0.000 0.000) 0.429 32.758 ( -0.846 0.000 0.000) 0.846 42.949 ( 13.605 0.000 0.000) 13.605 43.233 ( -14.278 0.000 0.000) 14.278 43.526 ( 11.016 0.000 0.000) 11.016 43.751 ( -10.957 0.000 0.000) 10.957 44.511 ( 2.028 0.000 0.000) 2.028 44.557 ( -2.442 0.000 0.000) 2.442 45.737 ( 27.392 0.000 0.000) 27.392 46.312 ( -28.949 0.000 0.000) 28.949 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.415 ( 0.000 20.030 0.000) 20.030 0.619 ( 0.000 29.684 0.000) 29.684 1.145 ( 0.000 52.324 0.000) 52.324 2.547 ( 0.000 0.422 0.000) 0.422 2.574 ( 0.000 9.877 0.000) 9.877 2.579 ( 0.000 -3.790 0.000) 3.790 2.621 ( 0.000 0.502 0.000) 0.502 2.789 ( 0.000 4.949 0.000) 4.949 3.038 ( 0.000 -0.256 0.000) 0.256 3.193 ( 0.000 -2.069 0.000) 2.069 3.973 ( 0.000 11.905 0.000) 11.905 4.029 ( 0.000 -6.386 0.000) 6.386 4.110 ( 0.000 -2.208 0.000) 2.208 4.282 ( 0.000 9.600 0.000) 9.600 5.260 ( 0.000 2.873 0.000) 2.873 5.356 ( 0.000 1.864 0.000) 1.864 5.357 ( 0.000 0.261 0.000) 0.261 5.532 ( 0.000 29.730 0.000) 29.730 5.615 ( 0.000 -1.643 0.000) 1.643 5.814 ( 0.000 -2.787 0.000) 2.787 5.929 ( 0.000 -0.646 0.000) 0.646 6.425 ( 0.000 21.077 0.000) 21.077 6.513 ( 0.000 17.770 0.000) 17.770 6.538 ( 0.000 8.148 0.000) 8.148 6.782 ( 0.000 -0.239 0.000) 0.239 7.252 ( 0.000 -5.510 0.000) 5.510 7.288 ( 0.000 2.903 0.000) 2.903 7.796 ( 0.000 0.446 0.000) 0.446 8.426 ( 0.000 -5.536 0.000) 5.536 8.658 ( 0.000 5.983 0.000) 5.983 8.671 ( 0.000 2.570 0.000) 2.570 9.089 ( 0.000 0.286 0.000) 0.286 9.120 ( 0.000 -0.452 0.000) 0.452 9.332 ( 0.000 -1.894 0.000) 1.894 9.358 ( 0.000 -1.599 0.000) 1.599 10.003 ( 0.000 -2.062 0.000) 2.062 20.064 ( 0.000 5.976 0.000) 5.976 20.266 ( 0.000 2.473 0.000) 2.473 20.327 ( 0.000 0.299 0.000) 0.299 20.485 ( 0.000 1.996 0.000) 1.996 20.522 ( 0.000 1.741 0.000) 1.741 20.703 ( 0.000 -1.424 0.000) 1.424 20.990 ( 0.000 -5.519 0.000) 5.519 21.056 ( 0.000 -3.268 0.000) 3.268 24.141 ( 0.000 -0.075 0.000) 0.075 24.176 ( 0.000 -0.238 0.000) 0.238 25.762 ( 0.000 -0.051 0.000) 0.051 25.832 ( 0.000 -0.421 0.000) 0.421 32.588 ( 0.000 -3.241 0.000) 3.241 32.617 ( 0.000 -2.034 0.000) 2.034 32.718 ( 0.000 -2.780 0.000) 2.780 32.777 ( 0.000 -2.739 0.000) 2.739 42.389 ( 0.000 6.498 0.000) 6.498 43.030 ( 0.000 3.414 0.000) 3.414 44.151 ( 0.000 -6.698 0.000) 6.698 44.365 ( 0.000 -3.782 0.000) 3.782 44.716 ( 0.000 2.011 0.000) 2.011 44.737 ( 0.000 18.029 0.000) 18.029 47.336 ( 0.000 -1.448 0.000) 1.448 47.691 ( 0.000 -13.843 0.000) 13.843 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 16.560 21.891 0.000) 27.449 0.813 ( 24.813 12.966 0.000) 27.997 1.278 ( 15.112 42.986 0.000) 45.565 2.475 ( -4.780 -0.478 0.000) 4.804 2.547 ( -2.723 4.041 0.000) 4.873 2.598 ( -0.982 -0.192 0.000) 1.001 2.614 ( -0.342 6.564 0.000) 6.573 2.731 ( -3.639 3.671 0.000) 5.169 3.121 ( -6.282 -1.780 0.000) 6.530 3.122 ( 6.856 -0.833 0.000) 6.906 3.701 ( -9.111 22.995 0.000) 24.734 3.992 ( -3.742 -6.012 0.000) 7.081 4.178 ( -0.453 -0.874 0.000) 0.984 4.239 ( -4.057 10.141 0.000) 10.923 5.340 ( 6.457 1.309 0.000) 6.588 5.364 ( 0.732 1.714 0.000) 1.864 5.406 ( 5.601 2.197 0.000) 6.016 5.551 ( 1.755 29.414 0.000) 29.466 5.816 ( 9.935 -9.246 0.000) 13.571 5.970 ( 3.868 0.062 0.000) 3.869 6.001 ( 13.587 1.757 0.000) 13.700 6.448 ( 2.287 20.158 0.000) 20.287 6.519 ( 3.306 13.407 0.000) 13.808 6.624 ( 5.654 9.005 0.000) 10.633 6.805 ( 2.870 0.627 0.000) 2.937 7.135 ( -5.749 -1.888 0.000) 6.051 7.437 ( 8.812 -0.549 0.000) 8.829 7.771 ( -2.350 0.334 0.000) 2.374 8.402 ( -3.276 -2.973 0.000) 4.424 8.538 ( -6.640 7.071 0.000) 9.700 8.629 ( -2.226 3.542 0.000) 4.183 9.033 ( -6.106 -0.735 0.000) 6.150 9.062 ( -4.870 0.475 0.000) 4.893 9.205 ( -8.623 -1.361 0.000) 8.730 9.406 ( 1.467 -2.777 0.000) 3.140 9.950 ( -5.139 -2.304 0.000) 5.632 20.069 ( 0.554 5.832 0.000) 5.858 20.274 ( 0.786 2.499 0.000) 2.620 20.300 ( -1.949 2.991 0.000) 3.570 20.468 ( -0.299 0.753 0.000) 0.810 20.515 ( -0.717 1.852 0.000) 1.986 20.699 ( -0.468 -1.425 0.000) 1.500 20.993 ( 0.316 -5.399 0.000) 5.408 21.053 ( -0.281 -3.274 0.000) 3.286 24.240 ( 6.210 -0.230 0.000) 6.214 24.456 ( 19.807 -16.256 0.000) 25.624 25.729 ( -3.202 -0.074 0.000) 3.203 25.800 ( -3.211 -0.444 0.000) 3.242 32.592 ( 0.398 -3.247 0.000) 3.271 32.623 ( 0.412 -2.719 0.000) 2.750 32.717 ( -0.086 -2.763 0.000) 2.764 32.763 ( -0.977 -2.975 0.000) 3.131 42.437 ( 4.742 6.894 0.000) 8.367 43.073 ( 4.183 3.794 0.000) 5.647 44.130 ( -2.092 -5.134 0.000) 5.544 44.441 ( 6.690 -2.618 0.000) 7.184 44.702 ( -1.355 1.765 0.000) 2.225 44.719 ( -1.052 14.924 0.000) 14.961 45.876 ( -84.695 78.002 0.000) 115.142 47.575 ( -11.287 -13.422 0.000) 17.537 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 14.761 22.657 0.000) 27.041 1.199 ( 20.304 13.408 0.000) 24.332 1.773 ( 30.132 17.155 0.000) 34.673 2.371 ( -5.469 2.264 0.000) 5.919 2.469 ( -4.933 1.015 0.000) 5.037 2.514 ( -6.062 3.098 0.000) 6.808 2.611 ( 0.042 9.469 0.000) 9.469 2.690 ( -1.009 1.421 0.000) 1.743 2.973 ( -8.133 -2.016 0.000) 8.379 3.283 ( 8.771 -2.209 0.000) 9.045 3.643 ( 1.213 21.337 0.000) 21.372 3.876 ( -7.790 -4.893 0.000) 9.199 4.124 ( -4.421 -1.168 0.000) 4.572 4.133 ( -5.952 11.529 0.000) 12.975 5.385 ( 1.311 1.490 0.000) 1.985 5.436 ( 3.264 0.132 0.000) 3.267 5.599 ( 2.960 28.187 0.000) 28.342 5.620 ( 13.739 4.704 0.000) 14.522 5.982 ( 4.105 6.242 0.000) 7.471 6.065 ( 4.842 2.967 0.000) 5.679 6.215 ( 11.329 3.356 0.000) 11.816 6.521 ( 5.062 17.001 0.000) 17.739 6.664 ( 10.439 10.639 0.000) 14.905 6.723 ( 3.863 2.521 0.000) 4.612 6.928 ( 9.612 6.971 0.000) 11.874 7.034 ( -4.314 -1.457 0.000) 4.553 7.623 ( 9.296 -0.543 0.000) 9.312 7.708 ( -3.558 -0.196 0.000) 3.563 8.254 ( -11.422 2.406 0.000) 11.673 8.516 ( 4.055 -0.377 0.000) 4.072 8.583 ( -3.272 -0.781 0.000) 3.364 8.834 ( -13.159 -1.053 0.000) 13.201 8.967 ( -3.379 -0.153 0.000) 3.383 9.008 ( -10.555 -1.451 0.000) 10.655 9.404 ( -1.697 -3.556 0.000) 3.940 9.799 ( -9.663 -3.028 0.000) 10.126 20.086 ( 1.081 5.453 0.000) 5.559 20.262 ( -1.828 3.720 0.000) 4.145 20.297 ( 1.453 2.546 0.000) 2.932 20.481 ( 1.198 -0.831 0.000) 1.458 20.494 ( -1.230 1.841 0.000) 2.214 20.683 ( -1.083 -1.437 0.000) 1.799 21.002 ( 0.477 -5.016 0.000) 5.039 21.046 ( -0.393 -3.314 0.000) 3.338 24.418 ( 11.125 -0.202 0.000) 11.127 24.775 ( 12.409 -13.013 0.000) 17.981 25.633 ( -6.304 -0.138 0.000) 6.305 25.704 ( -6.189 -0.572 0.000) 6.215 32.603 ( 0.683 -3.267 0.000) 3.338 32.629 ( 0.207 -2.898 0.000) 2.905 32.715 ( -0.159 -2.731 0.000) 2.736 32.745 ( -0.768 -3.684 0.000) 3.763 42.579 ( 9.187 8.125 0.000) 12.265 43.197 ( 7.930 4.927 0.000) 9.336 44.051 ( -6.588 1.649 0.000) 6.791 44.531 ( -1.062 7.278 0.000) 7.355 44.663 ( -2.408 1.092 0.000) 2.644 44.684 ( -35.298 55.869 0.000) 66.085 44.807 ( 10.883 1.943 0.000) 11.055 47.249 ( -20.435 -12.273 0.000) 23.838 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 14.021 20.492 0.000) 24.830 1.601 ( 18.911 8.411 0.000) 20.697 2.234 ( -8.679 7.679 0.000) 11.589 2.349 ( -5.694 2.999 0.000) 6.436 2.367 ( 24.420 3.792 0.000) 24.712 2.415 ( -2.582 1.391 0.000) 2.933 2.626 ( 2.915 8.907 0.000) 9.372 2.668 ( -1.213 2.427 0.000) 2.713 2.795 ( -9.089 -0.086 0.000) 9.089 3.470 ( 9.569 -3.291 0.000) 10.119 3.672 ( -12.408 -3.087 0.000) 12.786 3.701 ( 3.911 18.996 0.000) 19.394 4.009 ( -6.824 -2.333 0.000) 7.211 4.010 ( -6.028 13.402 0.000) 14.696 5.415 ( 1.682 1.370 0.000) 2.169 5.478 ( 0.908 1.072 0.000) 1.405 5.669 ( 3.941 26.280 0.000) 26.574 5.872 ( 7.455 6.611 0.000) 9.964 5.995 ( 1.119 19.688 0.000) 19.719 6.144 ( 2.637 7.467 0.000) 7.919 6.510 ( 16.378 1.901 0.000) 16.488 6.648 ( 7.080 12.203 0.000) 14.108 6.783 ( 2.608 -1.911 0.000) 3.233 6.922 ( 13.898 10.011 0.000) 17.128 6.959 ( -3.008 -0.696 0.000) 3.088 7.187 ( 15.575 7.672 0.000) 17.363 7.655 ( -0.350 -1.317 0.000) 1.362 7.779 ( 3.391 -0.991 0.000) 3.533 7.971 ( -14.355 4.753 0.000) 15.121 8.456 ( -8.354 -0.260 0.000) 8.358 8.514 ( -17.989 -0.890 0.000) 18.011 8.646 ( 4.705 -2.697 0.000) 5.423 8.811 ( -5.424 -3.571 0.000) 6.494 8.968 ( 3.362 -2.517 0.000) 4.200 9.341 ( -4.334 -3.952 0.000) 5.865 9.568 ( -12.864 -4.205 0.000) 13.534 20.113 ( 1.529 4.954 0.000) 5.185 20.225 ( -1.897 3.782 0.000) 4.231 20.332 ( 1.924 2.552 0.000) 3.196 20.459 ( -1.889 2.147 0.000) 2.860 20.518 ( 2.130 -1.466 0.000) 2.586 20.655 ( -1.765 -1.468 0.000) 2.296 21.012 ( 0.528 -4.535 0.000) 4.566 21.038 ( -0.375 -3.436 0.000) 3.457 24.675 ( 13.912 -0.166 0.000) 13.913 24.997 ( 10.083 -7.382 0.000) 12.496 25.472 ( -9.686 -0.167 0.000) 9.688 25.557 ( -8.117 -1.032 0.000) 8.183 32.618 ( 0.719 -3.283 0.000) 3.361 32.633 ( 0.133 -2.858 0.000) 2.861 32.711 ( -0.122 -2.761 0.000) 2.764 32.731 ( -0.668 -3.821 0.000) 3.879 42.805 ( 13.052 10.332 0.000) 16.647 43.388 ( 10.816 6.793 0.000) 12.772 43.816 ( -16.588 17.042 0.000) 23.782 44.165 ( -16.437 24.928 0.000) 29.860 44.509 ( -1.161 3.682 0.000) 3.861 44.608 ( -2.890 0.203 0.000) 2.897 45.166 ( 21.901 -5.230 0.000) 22.517 46.772 ( -26.118 -10.674 0.000) 28.215 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 13.548 15.743 0.000) 20.770 1.945 ( 14.507 5.151 0.000) 15.395 2.022 ( -11.741 12.022 0.000) 16.805 2.188 ( -9.477 3.711 0.000) 10.177 2.424 ( 3.440 0.081 0.000) 3.441 2.528 ( -4.468 -1.236 0.000) 4.636 2.645 ( -0.898 4.377 0.000) 4.469 2.650 ( -2.878 5.481 0.000) 6.190 2.955 ( 22.658 3.866 0.000) 22.986 3.368 ( -17.737 -0.403 0.000) 17.742 3.666 ( 9.515 -3.844 0.000) 10.262 3.789 ( 4.409 15.858 0.000) 16.460 3.853 ( -8.222 -2.069 0.000) 8.478 3.894 ( -5.391 15.465 0.000) 16.378 5.450 ( 1.646 1.381 0.000) 2.148 5.477 ( -0.875 1.408 0.000) 1.658 5.757 ( 4.672 23.964 0.000) 24.415 5.853 ( -4.440 20.292 0.000) 20.772 6.105 ( 5.265 11.969 0.000) 13.076 6.164 ( -0.804 10.559 0.000) 10.590 6.775 ( 4.158 7.110 0.000) 8.237 6.777 ( 5.371 4.934 0.000) 7.293 6.852 ( 5.569 1.472 0.000) 5.760 6.914 ( -1.515 2.064 0.000) 2.561 7.194 ( 13.979 4.021 0.000) 14.546 7.530 ( 17.247 4.977 0.000) 17.950 7.542 ( -19.004 1.466 0.000) 19.061 7.771 ( 12.862 -1.638 0.000) 12.966 7.823 ( -9.313 3.287 0.000) 9.876 8.122 ( -19.731 -0.930 0.000) 19.753 8.371 ( 2.543 -0.001 0.000) 2.543 8.520 ( -9.909 -0.044 0.000) 9.909 8.958 ( 12.206 -6.173 0.000) 13.678 9.061 ( 4.123 -3.502 0.000) 5.410 9.241 ( -4.801 -4.421 0.000) 6.526 9.299 ( -12.408 -5.675 0.000) 13.644 20.147 ( 1.833 4.451 0.000) 4.813 20.185 ( -1.950 4.033 0.000) 4.480 20.373 ( 2.162 2.479 0.000) 3.289 20.418 ( -2.154 2.335 0.000) 3.177 20.565 ( 2.413 -1.556 0.000) 2.871 20.613 ( -2.269 -1.519 0.000) 2.730 21.022 ( 0.468 -4.064 0.000) 4.091 21.031 ( -0.386 -3.684 0.000) 3.704 24.965 ( 14.369 -0.138 0.000) 14.369 25.194 ( 9.524 -4.001 0.000) 10.330 25.243 ( -12.773 -0.140 0.000) 12.773 25.382 ( -9.015 -2.083 0.000) 9.253 32.630 ( 0.415 -3.193 0.000) 3.220 32.634 ( -0.021 -2.978 0.000) 2.979 32.711 ( 0.158 -3.003 0.000) 3.007 32.718 ( -0.515 -3.470 0.000) 3.508 43.102 ( 16.121 13.730 0.000) 21.175 43.451 ( -18.186 18.081 0.000) 25.645 43.626 ( 12.470 9.368 0.000) 15.597 43.884 ( -12.936 13.137 0.000) 18.436 44.511 ( 1.244 0.086 0.000) 1.247 44.551 ( -2.578 -0.456 0.000) 2.618 45.661 ( 26.488 -7.152 0.000) 27.437 46.218 ( -28.023 -8.911 0.000) 29.405 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.827 ( 0.000 19.827 0.000) 19.827 1.217 ( 0.000 27.870 0.000) 27.870 2.085 ( 0.000 34.918 0.000) 34.918 2.524 ( 0.000 -1.438 0.000) 1.438 2.560 ( 0.000 0.828 0.000) 0.828 2.664 ( 0.000 6.129 0.000) 6.129 2.798 ( 0.000 10.384 0.000) 10.384 2.876 ( 0.000 3.568 0.000) 3.568 3.020 ( 0.000 -1.775 0.000) 1.775 3.141 ( 0.000 -2.645 0.000) 2.645 3.849 ( 0.000 -10.692 0.000) 10.692 4.054 ( 0.000 -3.000 0.000) 3.000 4.301 ( 0.000 18.821 0.000) 18.821 4.519 ( 0.000 12.502 0.000) 12.502 5.332 ( 0.000 3.690 0.000) 3.690 5.373 ( 0.000 1.487 0.000) 1.487 5.396 ( 0.000 2.787 0.000) 2.787 5.574 ( 0.000 -2.308 0.000) 2.308 5.751 ( 0.000 -2.828 0.000) 2.828 5.895 ( 0.000 -2.487 0.000) 2.487 6.341 ( 0.000 44.038 0.000) 44.038 6.716 ( 0.000 -1.937 0.000) 1.937 6.757 ( 0.000 12.308 0.000) 12.308 6.932 ( 0.000 13.510 0.000) 13.510 6.995 ( 0.000 20.477 0.000) 20.477 7.150 ( 0.000 7.659 0.000) 7.659 7.375 ( 0.000 5.533 0.000) 5.533 7.845 ( 0.000 5.992 0.000) 5.992 8.285 ( 0.000 -7.536 0.000) 7.536 8.725 ( 0.000 1.835 0.000) 1.835 8.803 ( 0.000 7.262 0.000) 7.262 9.108 ( 0.000 -0.650 0.000) 0.650 9.115 ( 0.000 2.706 0.000) 2.706 9.287 ( 0.000 -1.968 0.000) 1.968 9.332 ( 0.000 -0.191 0.000) 0.191 9.942 ( 0.000 -3.743 0.000) 3.743 20.225 ( 0.000 8.949 0.000) 8.949 20.337 ( 0.000 0.708 0.000) 0.708 20.338 ( 0.000 4.275 0.000) 4.275 20.540 ( 0.000 3.092 0.000) 3.092 20.569 ( 0.000 2.637 0.000) 2.637 20.665 ( 0.000 -2.126 0.000) 2.126 20.841 ( 0.000 -8.232 0.000) 8.232 20.962 ( 0.000 -5.574 0.000) 5.574 24.139 ( 0.000 -0.096 0.000) 0.096 24.169 ( 0.000 -0.412 0.000) 0.412 25.761 ( 0.000 -0.033 0.000) 0.033 25.820 ( 0.000 -0.716 0.000) 0.716 32.502 ( 0.000 -4.710 0.000) 4.710 32.561 ( 0.000 -3.187 0.000) 3.187 32.639 ( 0.000 -4.707 0.000) 4.707 32.699 ( 0.000 -4.601 0.000) 4.601 42.571 ( 0.000 10.544 0.000) 10.544 43.118 ( 0.000 4.551 0.000) 4.551 44.025 ( 0.000 -5.404 0.000) 5.404 44.257 ( 0.000 -6.358 0.000) 6.358 44.790 ( 0.000 5.498 0.000) 5.498 45.186 ( 0.000 24.532 0.000) 24.532 47.285 ( 0.000 -3.715 0.000) 3.715 47.293 ( 0.000 -23.766 0.000) 23.766 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 20.602 14.150 0.000) 24.994 1.313 ( 8.995 25.066 0.000) 26.631 2.119 ( 3.792 31.620 0.000) 31.847 2.475 ( -2.934 0.628 0.000) 3.001 2.600 ( 1.708 0.337 0.000) 1.741 2.630 ( -2.735 8.196 0.000) 8.640 2.805 ( -5.027 3.258 0.000) 5.991 2.813 ( 0.943 9.949 0.000) 9.993 3.081 ( -5.325 -1.827 0.000) 5.630 3.091 ( 5.392 -2.297 0.000) 5.861 3.821 ( -2.775 -10.191 0.000) 10.562 3.993 ( -3.502 2.815 0.000) 4.494 4.294 ( -1.599 16.148 0.000) 16.226 4.492 ( -2.493 13.539 0.000) 13.766 5.371 ( 3.646 1.938 0.000) 4.129 5.403 ( 0.749 2.794 0.000) 2.893 5.469 ( 9.136 3.445 0.000) 9.764 5.652 ( 9.346 -6.183 0.000) 11.207 5.933 ( 3.472 -2.379 0.000) 4.209 6.023 ( 20.861 -0.805 0.000) 20.877 6.357 ( 1.718 43.241 0.000) 43.275 6.665 ( -1.770 1.416 0.000) 2.267 6.861 ( 7.216 6.709 0.000) 9.854 6.919 ( -1.285 8.171 0.000) 8.271 7.007 ( 1.535 21.046 0.000) 21.102 7.122 ( -1.586 14.875 0.000) 14.959 7.463 ( 7.355 3.531 0.000) 8.159 7.819 ( -2.557 6.018 0.000) 6.538 8.297 ( 0.833 -6.434 0.000) 6.488 8.660 ( -5.326 4.341 0.000) 6.871 8.741 ( -5.931 6.388 0.000) 8.717 9.023 ( -7.394 -0.224 0.000) 7.397 9.083 ( -3.877 2.146 0.000) 4.431 9.184 ( -8.100 -0.131 0.000) 8.101 9.347 ( -0.069 -2.297 0.000) 2.298 9.883 ( -5.741 -4.053 0.000) 7.028 20.226 ( 0.163 8.693 0.000) 8.694 20.338 ( 0.028 1.067 0.000) 1.067 20.347 ( 0.851 4.328 0.000) 4.411 20.514 ( -1.886 3.292 0.000) 3.794 20.565 ( -0.526 2.757 0.000) 2.807 20.661 ( -0.437 -2.079 0.000) 2.124 20.848 ( 0.638 -8.077 0.000) 8.103 20.959 ( -0.298 -5.578 0.000) 5.586 24.233 ( 6.244 -0.397 0.000) 6.257 24.277 ( 12.064 -4.060 0.000) 12.728 25.728 ( -3.264 -0.064 0.000) 3.264 25.787 ( -3.275 -0.743 0.000) 3.359 32.506 ( 0.387 -4.712 0.000) 4.728 32.560 ( -0.070 -3.325 0.000) 3.326 32.638 ( -0.031 -4.666 0.000) 4.666 32.684 ( -1.217 -4.503 0.000) 4.664 42.629 ( 5.778 11.110 0.000) 12.523 43.171 ( 5.224 5.151 0.000) 7.336 44.028 ( 0.380 -4.497 0.000) 4.513 44.338 ( 7.702 -6.630 0.000) 10.162 44.769 ( -2.068 5.047 0.000) 5.454 45.126 ( -5.744 23.073 0.000) 23.777 46.727 ( -47.180 17.515 0.000) 50.326 47.189 ( -10.138 -23.066 0.000) 25.196 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 18.731 10.374 0.000) 21.412 1.551 ( 13.725 19.373 0.000) 23.742 2.253 ( 9.038 18.064 0.000) 20.199 2.422 ( -2.156 2.753 0.000) 3.497 2.578 ( -1.614 14.197 0.000) 14.288 2.584 ( -4.056 3.088 0.000) 5.098 2.730 ( -1.439 2.422 0.000) 2.817 2.816 ( -1.022 8.881 0.000) 8.940 2.958 ( -5.965 0.840 0.000) 6.024 3.217 ( 6.968 -4.254 0.000) 8.164 3.735 ( -5.713 -8.513 0.000) 10.253 3.948 ( -1.696 2.004 0.000) 2.625 4.240 ( -3.027 18.267 0.000) 18.516 4.428 ( -3.570 16.052 0.000) 16.444 5.426 ( 1.443 2.889 0.000) 3.229 5.458 ( 4.249 2.054 0.000) 4.719 5.713 ( 13.763 3.481 0.000) 14.196 5.936 ( 17.743 -4.712 0.000) 18.358 6.016 ( 4.277 -0.655 0.000) 4.327 6.413 ( 3.767 39.963 0.000) 40.140 6.422 ( 16.115 8.370 0.000) 18.159 6.666 ( 1.920 -3.006 0.000) 3.567 6.884 ( -2.082 -0.066 0.000) 2.083 7.022 ( 8.197 10.743 0.000) 13.513 7.100 ( 9.209 15.007 0.000) 17.607 7.112 ( 0.631 23.709 0.000) 23.718 7.635 ( 9.084 2.322 0.000) 9.376 7.746 ( -4.442 5.920 0.000) 7.401 8.279 ( -4.430 -0.872 0.000) 4.515 8.569 ( -2.234 4.799 0.000) 5.293 8.590 ( -7.711 2.187 0.000) 8.015 8.813 ( -13.252 -0.688 0.000) 13.270 8.977 ( -5.565 1.551 0.000) 5.777 8.989 ( -10.737 0.417 0.000) 10.745 9.320 ( -2.684 -3.979 0.000) 4.799 9.714 ( -10.835 -4.955 0.000) 11.914 20.232 ( 0.464 8.081 0.000) 8.094 20.335 ( -0.468 2.553 0.000) 2.596 20.371 ( 1.477 4.371 0.000) 4.614 20.486 ( -0.531 1.993 0.000) 2.062 20.548 ( -1.171 3.023 0.000) 3.241 20.646 ( -1.048 -1.967 0.000) 2.229 20.865 ( 1.021 -7.641 0.000) 7.709 20.951 ( -0.475 -5.616 0.000) 5.636 24.412 ( 11.176 -0.339 0.000) 11.181 24.558 ( 14.514 -7.407 0.000) 16.295 25.630 ( -6.408 -0.171 0.000) 6.411 25.688 ( -6.465 -0.884 0.000) 6.525 32.516 ( 0.654 -4.725 0.000) 4.770 32.558 ( -0.084 -3.685 0.000) 3.686 32.637 ( -0.090 -4.562 0.000) 4.563 32.659 ( -1.156 -4.556 0.000) 4.700 42.803 ( 11.315 12.813 0.000) 17.094 43.326 ( 10.021 6.966 0.000) 12.204 44.039 ( 0.443 -1.544 0.000) 1.606 44.547 ( 11.716 -5.685 0.000) 13.022 44.709 ( -3.672 3.773 0.000) 5.265 44.977 ( -7.468 17.040 0.000) 18.604 45.713 ( -47.838 35.713 0.000) 59.698 46.896 ( -18.430 -21.145 0.000) 28.050 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 12.555 10.838 0.000) 16.586 1.840 ( 14.129 13.856 0.000) 19.789 2.373 ( 0.193 0.677 0.000) 0.704 2.383 ( -2.463 5.596 0.000) 6.114 2.470 ( -5.456 4.235 0.000) 6.907 2.615 ( 2.414 15.658 0.000) 15.843 2.729 ( 0.661 3.300 0.000) 3.365 2.784 ( 0.649 6.682 0.000) 6.713 2.883 ( 0.331 8.653 0.000) 8.659 3.373 ( 8.431 -6.024 0.000) 10.362 3.587 ( -9.054 -5.262 0.000) 10.471 3.881 ( -5.480 -4.385 0.000) 7.019 4.207 ( 0.159 23.416 0.000) 23.416 4.356 ( -3.467 18.993 0.000) 19.307 5.460 ( 1.925 3.153 0.000) 3.694 5.521 ( 1.755 3.114 0.000) 3.574 5.969 ( 10.330 2.360 0.000) 10.596 6.091 ( 2.951 3.005 0.000) 4.211 6.318 ( 17.875 5.918 0.000) 18.829 6.502 ( 4.555 34.855 0.000) 35.152 6.657 ( 8.118 9.461 0.000) 12.466 6.740 ( 6.172 1.914 0.000) 6.462 6.840 ( -2.141 -3.565 0.000) 4.158 7.144 ( 2.337 25.338 0.000) 25.446 7.235 ( 12.991 15.968 0.000) 20.585 7.355 ( 14.643 7.942 0.000) 16.658 7.655 ( -3.620 4.114 0.000) 5.480 7.791 ( 3.856 2.586 0.000) 4.643 8.083 ( -12.625 5.791 0.000) 13.890 8.449 ( -7.051 -0.657 0.000) 7.081 8.495 ( -17.738 -0.409 0.000) 17.743 8.608 ( 6.235 -0.105 0.000) 6.236 8.762 ( -11.422 0.010 0.000) 11.422 8.914 ( 0.313 -2.133 0.000) 2.156 9.241 ( -4.973 -5.150 0.000) 7.159 9.455 ( -14.472 -6.302 0.000) 15.784 20.246 ( 0.842 7.331 0.000) 7.379 20.318 ( -1.144 4.459 0.000) 4.603 20.405 ( 1.838 4.284 0.000) 4.662 20.495 ( 1.253 -0.005 0.000) 1.253 20.519 ( -1.577 3.283 0.000) 3.642 20.618 ( -1.736 -1.830 0.000) 2.522 20.887 ( 1.128 -7.061 0.000) 7.151 20.941 ( -0.587 -5.747 0.000) 5.777 24.671 ( 13.961 -0.275 0.000) 13.964 24.843 ( 13.442 -6.595 0.000) 14.973 25.467 ( -9.683 -0.266 0.000) 9.687 25.530 ( -8.980 -1.405 0.000) 9.089 32.531 ( 0.713 -4.749 0.000) 4.802 32.556 ( -0.120 -4.126 0.000) 4.128 32.635 ( -0.143 -4.452 0.000) 4.454 32.641 ( -0.623 -4.640 0.000) 4.681 43.083 ( 16.275 15.572 0.000) 22.525 43.571 ( 13.997 10.066 0.000) 17.241 44.020 ( -3.528 5.500 0.000) 6.534 44.624 ( -6.493 8.313 0.000) 10.548 44.627 ( -4.317 1.945 0.000) 4.735 44.867 ( -33.403 31.944 0.000) 46.219 45.037 ( 14.678 -4.960 0.000) 15.493 46.464 ( -23.672 -18.427 0.000) 29.998 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 9.114 8.984 0.000) 12.798 2.086 ( 8.006 7.885 0.000) 11.237 2.282 ( -5.038 11.737 0.000) 12.773 2.318 ( -4.513 7.152 0.000) 8.457 2.440 ( 2.026 1.676 0.000) 2.630 2.533 ( -6.516 2.949 0.000) 7.153 2.750 ( 1.460 5.526 0.000) 5.716 2.785 ( -1.691 7.338 0.000) 7.530 3.080 ( 14.820 7.340 0.000) 16.538 3.366 ( -12.718 -0.118 0.000) 12.719 3.553 ( 9.146 -6.817 0.000) 11.407 3.735 ( -8.500 -6.651 0.000) 10.793 4.236 ( 2.305 23.637 0.000) 23.749 4.290 ( -2.989 21.664 0.000) 21.870 5.500 ( 1.875 3.503 0.000) 3.973 5.529 ( -0.767 3.638 0.000) 3.718 6.108 ( 3.507 3.557 0.000) 4.995 6.131 ( 0.765 4.796 0.000) 4.857 6.553 ( 5.012 25.928 0.000) 26.408 6.574 ( 1.960 31.556 0.000) 31.617 6.750 ( 2.630 -5.383 0.000) 5.991 6.797 ( -2.159 -4.715 0.000) 5.186 7.001 ( 16.632 9.905 0.000) 19.358 7.182 ( -0.217 20.596 0.000) 20.597 7.437 ( 4.246 20.118 0.000) 20.561 7.625 ( -15.628 7.919 0.000) 17.520 7.662 ( 14.876 7.327 0.000) 16.582 7.724 ( 14.224 -2.769 0.000) 14.491 7.916 ( -8.378 5.582 0.000) 10.067 8.101 ( -20.187 -0.881 0.000) 20.207 8.379 ( 2.625 0.950 0.000) 2.792 8.532 ( -10.415 1.288 0.000) 10.495 8.816 ( 12.974 -5.846 0.000) 14.230 8.972 ( 3.424 -4.423 0.000) 5.593 9.128 ( -5.774 -6.006 0.000) 8.332 9.152 ( -13.816 -7.757 0.000) 15.844 20.266 ( 1.169 6.535 0.000) 6.639 20.292 ( -1.324 5.666 0.000) 5.818 20.443 ( 1.967 4.061 0.000) 4.512 20.483 ( -1.878 3.737 0.000) 4.182 20.532 ( 2.134 -1.191 0.000) 2.444 20.577 ( -2.197 -1.632 0.000) 2.737 20.909 ( 0.998 -6.489 0.000) 6.565 20.927 ( -0.767 -6.033 0.000) 6.082 24.961 ( 14.387 -0.236 0.000) 14.389 25.101 ( 12.066 -4.482 0.000) 12.872 25.239 ( -12.745 -0.244 0.000) 12.747 25.331 ( -10.643 -2.620 0.000) 10.960 32.544 ( 0.557 -4.715 0.000) 4.748 32.552 ( -0.296 -4.509 0.000) 4.519 32.632 ( -0.084 -4.428 0.000) 4.429 32.633 ( -0.174 -4.539 0.000) 4.542 43.451 ( 19.609 18.554 0.000) 26.995 43.831 ( -15.749 16.657 0.000) 22.924 43.887 ( 17.172 14.811 0.000) 22.677 44.280 ( -22.557 22.949 0.000) 32.179 44.527 ( -2.315 1.900 0.000) 2.995 44.547 ( -3.164 0.292 0.000) 3.177 45.456 ( 23.793 -12.061 0.000) 26.675 45.961 ( -25.462 -15.351 0.000) 29.732 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.232 ( 0.000 19.155 0.000) 19.155 1.758 ( 0.000 24.101 0.000) 24.101 2.373 ( 0.000 -2.077 0.000) 2.077 2.520 ( 0.000 0.944 0.000) 0.944 2.579 ( 0.000 0.902 0.000) 0.902 2.943 ( 0.000 3.154 0.000) 3.154 2.953 ( 0.000 -5.008 0.000) 5.008 2.972 ( 0.000 6.214 0.000) 6.214 3.054 ( 0.000 26.070 0.000) 26.070 3.097 ( 0.000 -1.324 0.000) 1.324 3.605 ( 0.000 -12.362 0.000) 12.362 3.992 ( 0.000 -2.972 0.000) 2.972 4.708 ( 0.000 19.516 0.000) 19.516 4.785 ( 0.000 13.101 0.000) 13.101 5.401 ( 0.000 2.903 0.000) 2.903 5.422 ( 0.000 3.058 0.000) 3.058 5.475 ( 0.000 4.379 0.000) 4.379 5.517 ( 0.000 -3.281 0.000) 3.281 5.714 ( 0.000 -0.142 0.000) 0.142 5.824 ( 0.000 -3.633 0.000) 3.633 6.617 ( 0.000 -7.747 0.000) 7.747 6.756 ( 0.000 -15.302 0.000) 15.302 7.020 ( 0.000 12.475 0.000) 12.475 7.212 ( 0.000 35.777 0.000) 35.777 7.283 ( 0.000 6.844 0.000) 6.844 7.528 ( 0.000 11.046 0.000) 11.046 7.680 ( 0.000 24.900 0.000) 24.900 8.097 ( 0.000 16.646 0.000) 16.646 8.145 ( 0.000 -4.506 0.000) 4.506 8.717 ( 0.000 -2.760 0.000) 2.760 8.929 ( 0.000 4.736 0.000) 4.736 9.096 ( 0.000 -0.433 0.000) 0.433 9.221 ( 0.000 7.457 0.000) 7.457 9.273 ( 0.000 1.245 0.000) 1.245 9.371 ( 0.000 3.791 0.000) 3.791 9.850 ( 0.000 -5.102 0.000) 5.102 20.355 ( 0.000 1.016 0.000) 1.016 20.406 ( 0.000 7.892 0.000) 7.892 20.434 ( 0.000 4.710 0.000) 4.710 20.606 ( 0.000 3.161 0.000) 3.161 20.609 ( 0.000 -0.719 0.000) 0.719 20.624 ( 0.000 -1.533 0.000) 1.533 20.686 ( 0.000 -4.562 0.000) 4.562 20.837 ( 0.000 -6.229 0.000) 6.229 24.138 ( 0.000 -0.033 0.000) 0.033 24.159 ( 0.000 -0.476 0.000) 0.476 25.761 ( 0.000 0.090 0.000) 0.090 25.804 ( 0.000 -0.821 0.000) 0.821 32.410 ( 0.000 -3.783 0.000) 3.783 32.495 ( 0.000 -2.913 0.000) 2.913 32.533 ( 0.000 -5.254 0.000) 5.254 32.597 ( 0.000 -4.967 0.000) 4.967 42.801 ( 0.000 11.124 0.000) 11.124 43.197 ( 0.000 2.714 0.000) 2.714 43.931 ( 0.000 -3.596 0.000) 3.596 44.116 ( 0.000 -6.944 0.000) 6.944 44.956 ( 0.000 10.843 0.000) 10.843 45.717 ( 0.000 26.000 0.000) 26.000 46.749 ( 0.000 -27.930 0.000) 27.930 47.173 ( 0.000 -7.321 0.000) 7.321 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 13.982 15.520 0.000) 20.890 1.812 ( 5.228 22.668 0.000) 23.263 2.370 ( -0.320 -1.650 0.000) 1.681 2.504 ( -0.967 2.169 0.000) 2.375 2.610 ( 2.186 0.558 0.000) 2.257 2.859 ( -4.444 1.593 0.000) 4.721 2.973 ( 0.012 6.919 0.000) 6.919 3.025 ( 3.632 -3.771 0.000) 5.235 3.048 ( -2.122 13.454 0.000) 13.620 3.062 ( -1.442 10.747 0.000) 10.843 3.586 ( -1.809 -12.001 0.000) 12.137 3.970 ( -2.141 -2.684 0.000) 3.433 4.709 ( -0.128 21.143 0.000) 21.143 4.781 ( -0.330 14.226 0.000) 14.230 5.428 ( 3.460 3.511 0.000) 4.930 5.484 ( 0.871 4.636 0.000) 4.717 5.534 ( 8.299 2.270 0.000) 8.604 5.554 ( 8.792 -3.036 0.000) 9.301 5.857 ( 3.128 -4.187 0.000) 5.227 5.977 ( 20.838 -3.019 0.000) 21.056 6.605 ( -0.959 -6.906 0.000) 6.972 6.733 ( -2.048 -14.321 0.000) 14.467 7.058 ( 3.630 10.749 0.000) 11.346 7.225 ( 1.063 35.625 0.000) 35.640 7.297 ( 1.523 6.757 0.000) 6.927 7.580 ( 4.739 10.301 0.000) 11.339 7.686 ( 0.808 24.159 0.000) 24.172 8.079 ( -1.792 17.228 0.000) 17.321 8.173 ( 2.580 -4.124 0.000) 4.864 8.690 ( -2.437 -1.622 0.000) 2.927 8.859 ( -6.767 4.811 0.000) 8.303 9.020 ( -7.305 -0.072 0.000) 7.305 9.174 ( -4.549 6.755 0.000) 8.144 9.215 ( -5.658 3.031 0.000) 6.419 9.345 ( -2.463 2.540 0.000) 3.538 9.787 ( -6.231 -5.245 0.000) 8.145 20.357 ( 0.241 0.961 0.000) 0.991 20.400 ( -0.434 7.351 0.000) 7.364 20.445 ( 0.939 4.923 0.000) 5.012 20.585 ( -1.505 2.727 0.000) 3.115 20.612 ( -0.109 0.778 0.000) 0.786 20.623 ( -0.223 -1.334 0.000) 1.353 20.693 ( 0.712 -5.038 0.000) 5.088 20.834 ( -0.293 -6.209 0.000) 6.216 24.224 ( 6.506 -0.522 0.000) 6.527 24.229 ( 8.264 -1.191 0.000) 8.349 25.728 ( -3.329 0.067 0.000) 3.329 25.770 ( -3.328 -0.839 0.000) 3.432 32.414 ( 0.385 -3.784 0.000) 3.804 32.493 ( -0.231 -2.957 0.000) 2.966 32.534 ( 0.070 -5.196 0.000) 5.197 32.585 ( -1.009 -4.798 0.000) 4.903 42.870 ( 6.881 11.602 0.000) 13.489 43.263 ( 6.455 3.272 0.000) 7.237 43.950 ( 1.938 -2.909 0.000) 3.496 44.187 ( 6.913 -7.499 0.000) 10.199 44.925 ( -3.102 10.288 0.000) 10.745 45.631 ( -8.379 24.839 0.000) 26.214 46.660 ( -8.615 -27.134 0.000) 28.469 46.880 ( -27.062 0.066 0.000) 27.062 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 15.534 10.017 0.000) 18.484 1.957 ( 8.589 19.069 0.000) 20.914 2.364 ( -0.118 -1.472 0.000) 1.477 2.488 ( -0.705 3.518 0.000) 3.588 2.632 ( -0.978 1.551 0.000) 1.833 2.790 ( -1.424 3.421 0.000) 3.706 2.934 ( -4.805 3.179 0.000) 5.762 3.014 ( 1.038 6.719 0.000) 6.799 3.052 ( -0.437 20.990 0.000) 20.995 3.106 ( 4.697 -6.411 0.000) 7.948 3.534 ( -3.277 -10.572 0.000) 11.069 3.901 ( -4.920 -3.729 0.000) 6.173 4.707 ( 0.190 23.963 0.000) 23.964 4.774 ( -0.375 17.009 0.000) 17.013 5.510 ( 1.657 5.087 0.000) 5.350 5.522 ( 5.123 4.133 0.000) 6.582 5.734 ( 11.783 -1.619 0.000) 11.893 5.881 ( 21.224 -0.187 0.000) 21.224 5.942 ( 4.894 -5.064 0.000) 7.042 6.442 ( 22.130 -5.063 0.000) 22.701 6.600 ( 2.226 -4.737 0.000) 5.234 6.685 ( -2.357 -12.916 0.000) 13.129 7.166 ( 7.217 7.216 0.000) 10.206 7.249 ( 1.158 34.461 0.000) 34.481 7.359 ( 5.193 6.341 0.000) 8.196 7.660 ( 1.305 18.843 0.000) 18.888 7.755 ( 7.089 12.940 0.000) 14.754 8.028 ( -3.123 18.888 0.000) 19.144 8.232 ( 2.320 -2.261 0.000) 3.239 8.634 ( -2.620 0.106 0.000) 2.622 8.666 ( -11.797 4.393 0.000) 12.589 8.810 ( -13.063 0.463 0.000) 13.071 9.045 ( -7.660 5.270 0.000) 9.298 9.059 ( -9.268 6.131 0.000) 11.113 9.274 ( -4.531 0.446 0.000) 4.553 9.604 ( -11.649 -5.539 0.000) 12.899 20.366 ( 0.597 0.963 0.000) 1.133 20.392 ( -0.284 6.681 0.000) 6.687 20.468 ( 1.328 4.719 0.000) 4.902 20.553 ( -1.467 3.410 0.000) 3.712 20.604 ( -0.657 1.812 0.000) 1.928 20.613 ( -0.724 -0.855 0.000) 1.121 20.714 ( 1.290 -5.769 0.000) 5.911 20.826 ( -0.497 -6.156 0.000) 6.176 24.405 ( 11.258 -0.358 0.000) 11.264 24.454 ( 13.162 -3.142 0.000) 13.532 25.627 ( -6.559 -0.034 0.000) 6.559 25.669 ( -6.674 -0.917 0.000) 6.737 32.425 ( 0.640 -3.793 0.000) 3.847 32.486 ( -0.424 -3.110 0.000) 3.139 32.535 ( 0.077 -5.037 0.000) 5.038 32.563 ( -1.096 -4.544 0.000) 4.674 43.077 ( 13.460 12.997 0.000) 18.711 43.456 ( 12.524 4.960 0.000) 13.470 44.009 ( 3.870 -0.946 0.000) 3.984 44.386 ( 12.419 -8.770 0.000) 15.204 44.835 ( -5.588 8.693 0.000) 10.334 45.391 ( -14.727 21.337 0.000) 25.926 46.189 ( -38.433 12.261 0.000) 40.341 46.410 ( -15.732 -24.922 0.000) 29.472 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 11.367 6.701 0.000) 13.195 2.137 ( 8.436 14.050 0.000) 16.388 2.368 ( 0.508 -1.387 0.000) 1.477 2.469 ( -1.267 3.252 0.000) 3.490 2.573 ( -3.587 5.126 0.000) 6.256 2.808 ( 2.437 4.567 0.000) 5.177 2.817 ( -6.454 5.898 0.000) 8.744 3.008 ( -2.192 8.458 0.000) 8.737 3.095 ( 4.961 13.750 0.000) 14.618 3.225 ( 7.155 -8.175 0.000) 10.864 3.455 ( -4.581 -7.394 0.000) 8.698 3.767 ( -8.111 -5.700 0.000) 9.914 4.721 ( 1.055 25.405 0.000) 25.427 4.767 ( -0.348 20.262 0.000) 20.265 5.550 ( 2.256 5.466 0.000) 5.914 5.607 ( 2.736 5.117 0.000) 5.802 5.963 ( 9.689 -2.635 0.000) 10.041 6.041 ( 4.559 -5.194 0.000) 6.911 6.352 ( 22.677 -1.585 0.000) 22.732 6.603 ( 4.556 -4.888 0.000) 6.682 6.643 ( -1.853 -12.244 0.000) 12.383 6.928 ( 19.670 3.884 0.000) 20.050 7.261 ( -0.359 31.162 0.000) 31.164 7.361 ( 12.473 2.583 0.000) 12.738 7.528 ( 11.607 5.325 0.000) 12.771 7.654 ( -1.874 19.003 0.000) 19.095 7.911 ( 6.330 9.903 0.000) 11.753 7.960 ( -3.227 21.281 0.000) 21.524 8.195 ( -7.574 4.604 0.000) 8.864 8.432 ( -11.231 -0.251 0.000) 11.234 8.519 ( -13.343 2.587 0.000) 13.591 8.601 ( -0.637 -1.492 0.000) 1.622 8.865 ( -8.856 9.239 0.000) 12.799 8.907 ( -4.387 2.150 0.000) 4.886 9.163 ( -6.270 -1.202 0.000) 6.384 9.329 ( -15.046 -5.378 0.000) 15.978 20.379 ( 0.664 1.542 0.000) 1.679 20.389 ( -0.035 5.847 0.000) 5.847 20.497 ( 1.527 4.278 0.000) 4.543 20.532 ( -0.484 3.120 0.000) 3.157 20.586 ( -1.110 2.728 0.000) 2.945 20.593 ( -1.320 -0.218 0.000) 1.338 20.743 ( 1.511 -6.077 0.000) 6.262 20.814 ( -0.699 -6.097 0.000) 6.137 24.665 ( 14.025 -0.272 0.000) 14.028 24.737 ( 14.353 -3.652 0.000) 14.810 25.462 ( -9.757 -0.189 0.000) 9.759 25.502 ( -9.685 -1.205 0.000) 9.760 32.439 ( 0.709 -3.805 0.000) 3.871 32.476 ( -0.537 -3.383 0.000) 3.425 32.536 ( 0.027 -4.820 0.000) 4.820 32.545 ( -0.587 -4.430 0.000) 4.469 43.409 ( 19.073 15.092 0.000) 24.322 43.765 ( 17.919 7.819 0.000) 19.551 44.097 ( 4.229 2.754 0.000) 5.046 44.654 ( 11.038 -7.052 0.000) 13.099 44.707 ( -6.758 6.274 0.000) 9.221 45.084 ( -12.146 12.158 0.000) 17.186 45.410 ( -37.110 18.158 0.000) 41.314 46.041 ( -20.292 -21.711 0.000) 29.717 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 6.893 5.063 0.000) 8.553 2.243 ( 0.549 6.773 0.000) 6.795 2.388 ( 1.661 0.312 0.000) 1.690 2.434 ( -2.407 2.223 0.000) 3.276 2.552 ( 3.216 9.827 0.000) 10.340 2.676 ( -7.328 9.163 0.000) 11.733 2.872 ( 3.689 6.263 0.000) 7.269 2.948 ( -3.584 7.939 0.000) 8.710 3.218 ( 6.650 5.248 0.000) 8.471 3.348 ( -5.809 -1.937 0.000) 6.124 3.393 ( 8.989 -8.473 0.000) 12.353 3.585 ( -9.596 -7.403 0.000) 12.120 4.743 ( 0.971 24.913 0.000) 24.932 4.758 ( -0.552 23.059 0.000) 23.066 5.596 ( 2.164 5.775 0.000) 6.167 5.627 ( -0.566 5.786 0.000) 5.814 6.098 ( 3.442 -3.485 0.000) 4.898 6.110 ( 1.838 -4.454 0.000) 4.818 6.571 ( 2.701 -11.825 0.000) 12.129 6.609 ( -1.570 -12.079 0.000) 12.180 6.915 ( 20.577 9.888 0.000) 22.829 7.201 ( -7.005 23.258 0.000) 24.290 7.262 ( 14.130 11.885 0.000) 18.464 7.535 ( -11.281 12.376 0.000) 16.746 7.669 ( 16.738 -1.547 0.000) 16.810 7.804 ( 14.274 5.880 0.000) 15.437 7.894 ( -6.300 13.899 0.000) 15.260 7.919 ( 0.415 22.684 0.000) 22.688 8.049 ( -7.284 7.796 0.000) 10.669 8.106 ( -17.821 2.585 0.000) 18.007 8.415 ( 2.311 2.175 0.000) 3.173 8.541 ( -6.938 -1.169 0.000) 7.036 8.805 ( 5.393 5.437 0.000) 7.658 8.909 ( 4.026 -1.230 0.000) 4.210 9.023 ( -14.191 -3.121 0.000) 14.530 9.028 ( -6.806 -2.185 0.000) 7.148 20.389 ( 0.217 3.070 0.000) 3.078 20.390 ( 0.070 4.689 0.000) 4.690 20.528 ( 1.502 3.607 0.000) 3.907 20.536 ( 0.752 1.706 0.000) 1.864 20.561 ( -1.329 3.508 0.000) 3.751 20.563 ( -1.454 0.824 0.000) 1.671 20.773 ( 1.360 -6.112 0.000) 6.261 20.797 ( -1.016 -6.084 0.000) 6.168 24.956 ( 14.402 -0.232 0.000) 14.404 25.022 ( 13.622 -2.970 0.000) 13.942 25.234 ( -12.720 -0.236 0.000) 12.722 25.282 ( -11.955 -1.949 0.000) 12.113 32.452 ( 0.649 -3.780 0.000) 3.835 32.465 ( -0.580 -3.647 0.000) 3.693 32.537 ( 0.010 -4.605 0.000) 4.605 32.538 ( -0.164 -4.457 0.000) 4.460 43.824 ( 20.624 16.845 0.000) 26.629 44.121 ( -5.128 11.368 0.000) 12.471 44.179 ( 23.099 11.846 0.000) 25.960 44.582 ( -4.632 3.752 0.000) 5.961 44.600 ( -9.168 5.043 0.000) 10.463 44.720 ( -29.859 17.634 0.000) 34.678 45.192 ( 18.118 -12.422 0.000) 21.968 45.610 ( -21.717 -17.885 0.000) 28.134 ======================= Grid point 36 (21/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.614 ( 0.000 17.680 0.000) 17.680 2.205 ( 0.000 19.036 0.000) 19.036 2.225 ( 0.000 -10.751 0.000) 10.751 2.556 ( 0.000 2.253 0.000) 2.253 2.591 ( 0.000 0.106 0.000) 0.106 2.805 ( 0.000 -9.345 0.000) 9.345 3.021 ( 0.000 4.762 0.000) 4.762 3.057 ( 0.000 2.245 0.000) 2.245 3.081 ( 0.000 -0.190 0.000) 0.190 3.357 ( 0.000 -11.243 0.000) 11.243 3.520 ( 0.000 17.798 0.000) 17.798 3.922 ( 0.000 -4.238 0.000) 4.238 5.057 ( 0.000 13.043 0.000) 13.043 5.068 ( 0.000 14.505 0.000) 14.505 5.432 ( 0.000 -4.689 0.000) 4.689 5.451 ( 0.000 1.507 0.000) 1.507 5.476 ( 0.000 1.427 0.000) 1.427 5.496 ( 0.000 -4.728 0.000) 4.728 5.790 ( 0.000 8.655 0.000) 8.655 5.831 ( 0.000 6.760 0.000) 6.760 6.387 ( 0.000 -14.284 0.000) 14.284 6.412 ( 0.000 -17.222 0.000) 17.222 7.244 ( 0.000 8.569 0.000) 8.569 7.359 ( 0.000 1.786 0.000) 1.786 7.594 ( 0.000 8.621 0.000) 8.621 7.875 ( 0.000 -3.738 0.000) 3.738 7.974 ( 0.000 23.216 0.000) 23.216 8.233 ( 0.000 9.219 0.000) 9.219 8.393 ( 0.000 10.133 0.000) 10.133 8.631 ( 0.000 -4.800 0.000) 4.800 9.016 ( 0.000 3.944 0.000) 3.944 9.091 ( 0.000 -0.097 0.000) 0.097 9.350 ( 0.000 5.644 0.000) 5.644 9.398 ( 0.000 9.017 0.000) 9.017 9.451 ( 0.000 2.821 0.000) 2.821 9.730 ( 0.000 -6.566 0.000) 6.566 20.381 ( 0.000 1.569 0.000) 1.569 20.512 ( 0.000 -5.259 0.000) 5.259 20.519 ( 0.000 3.226 0.000) 3.226 20.531 ( 0.000 3.904 0.000) 3.904 20.612 ( 0.000 0.486 0.000) 0.486 20.663 ( 0.000 2.227 0.000) 2.227 20.686 ( 0.000 1.103 0.000) 1.103 20.718 ( 0.000 -4.970 0.000) 4.970 24.139 ( 0.000 0.107 0.000) 0.107 24.150 ( 0.000 -0.422 0.000) 0.422 25.765 ( 0.000 0.300 0.000) 0.300 25.788 ( 0.000 -0.745 0.000) 0.745 32.357 ( 0.000 -1.134 0.000) 1.134 32.432 ( 0.000 -4.270 0.000) 4.270 32.450 ( 0.000 -1.207 0.000) 1.207 32.504 ( 0.000 -3.715 0.000) 3.715 43.011 ( 0.000 8.838 0.000) 8.838 43.218 ( 0.000 -0.926 0.000) 0.926 43.883 ( 0.000 -0.839 0.000) 0.839 43.984 ( 0.000 -5.454 0.000) 5.454 45.244 ( 0.000 16.992 0.000) 16.992 46.174 ( 0.000 -26.947 0.000) 26.947 46.232 ( 0.000 23.185 0.000) 23.185 46.973 ( 0.000 -12.282 0.000) 12.282 ======================= Grid point 37 (22/120) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 8.744 15.139 0.000) 17.482 2.237 ( 3.054 18.229 0.000) 18.483 2.244 ( 1.579 -9.328 0.000) 9.460 2.557 ( 0.214 2.644 0.000) 2.652 2.618 ( 2.082 0.052 0.000) 2.082 2.805 ( 0.319 -7.827 0.000) 7.834 3.008 ( -1.105 3.474 0.000) 3.646 3.048 ( -1.757 1.498 0.000) 2.309 3.062 ( -0.605 0.852 0.000) 1.045 3.342 ( -1.297 -11.198 0.000) 11.273 3.505 ( -1.557 17.291 0.000) 17.361 3.901 ( -2.332 -4.280 0.000) 4.874 5.074 ( 1.624 13.862 0.000) 13.957 5.109 ( 3.354 16.307 0.000) 16.648 5.455 ( 5.234 -2.751 0.000) 5.912 5.521 ( 2.379 -3.882 0.000) 4.553 5.544 ( 7.552 3.523 0.000) 8.333 5.589 ( 9.072 2.336 0.000) 9.368 5.841 ( 0.999 5.539 0.000) 5.629 5.937 ( 14.413 0.900 0.000) 14.441 6.386 ( 0.142 -13.725 0.000) 13.725 6.401 ( -0.975 -16.823 0.000) 16.851 7.260 ( 1.676 8.057 0.000) 8.230 7.373 ( 1.511 1.796 0.000) 2.347 7.629 ( 3.154 8.771 0.000) 9.321 7.885 ( 0.801 -0.343 0.000) 0.871 7.997 ( 2.295 19.803 0.000) 19.935 8.241 ( 0.797 8.094 0.000) 8.133 8.382 ( -1.060 10.278 0.000) 10.332 8.619 ( -1.208 -4.464 0.000) 4.624 8.950 ( -6.532 4.041 0.000) 7.681 9.022 ( -6.741 0.173 0.000) 6.743 9.313 ( -3.651 6.188 0.000) 7.184 9.341 ( -5.412 8.776 0.000) 10.311 9.418 ( -3.130 2.987 0.000) 4.326 9.667 ( -6.196 -6.429 0.000) 8.928 20.382 ( 0.193 1.597 0.000) 1.609 20.510 ( -0.749 3.404 0.000) 3.486 20.516 ( 0.441 -5.221 0.000) 5.240 20.536 ( 0.407 3.210 0.000) 3.236 20.616 ( 0.322 0.797 0.000) 0.860 20.657 ( -0.508 2.489 0.000) 2.540 20.685 ( -0.055 1.047 0.000) 1.049 20.717 ( -0.146 -4.809 0.000) 4.811 24.212 ( 7.049 -0.320 0.000) 7.056 24.216 ( 6.467 -0.370 0.000) 6.477 25.731 ( -3.367 0.295 0.000) 3.380 25.754 ( -3.357 -0.757 0.000) 3.441 32.361 ( 0.365 -1.154 0.000) 1.211 32.434 ( 0.191 -4.210 0.000) 4.214 32.447 ( -0.321 -1.265 0.000) 1.305 32.497 ( -0.714 -3.556 0.000) 3.627 43.088 ( 7.617 9.071 0.000) 11.845 43.293 ( 7.384 -0.591 0.000) 7.408 43.916 ( 3.225 -0.203 0.000) 3.232 44.043 ( 5.740 -6.092 0.000) 8.370 45.200 ( -4.275 16.386 0.000) 16.935 46.102 ( -7.033 -26.181 0.000) 27.109 46.121 ( -10.730 21.947 0.000) 24.429 46.782 ( -18.141 -9.020 0.000) 20.259 ======================= Grid point 38 (23/120) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 10.532 10.129 0.000) 14.612 2.279 ( 1.759 -6.276 0.000) 6.518 2.319 ( 4.536 15.555 0.000) 16.203 2.557 ( -0.720 2.691 0.000) 2.785 2.652 ( 1.099 0.587 0.000) 1.246 2.842 ( 3.708 -1.893 0.000) 4.163 2.989 ( -0.191 -1.105 0.000) 1.121 2.993 ( -2.957 2.817 0.000) 4.084 3.067 ( 0.717 0.469 0.000) 0.857 3.312 ( -1.556 -10.675 0.000) 10.787 3.455 ( -3.462 15.382 0.000) 15.767 3.818 ( -6.012 -4.520 0.000) 7.522 5.119 ( 2.706 16.044 0.000) 16.270 5.182 ( 3.466 20.883 0.000) 21.169 5.584 ( 3.592 -1.212 0.000) 3.791 5.612 ( 8.014 2.289 0.000) 8.335 5.688 ( 8.240 -0.246 0.000) 8.243 5.874 ( 2.290 1.917 0.000) 2.987 5.892 ( 18.894 -0.030 0.000) 18.894 6.308 ( 16.937 -6.349 0.000) 18.088 6.376 ( -1.387 -16.008 0.000) 16.068 6.432 ( 9.206 -10.372 0.000) 13.868 7.322 ( 4.771 7.002 0.000) 8.473 7.434 ( 4.957 1.733 0.000) 5.251 7.699 ( 2.924 10.317 0.000) 10.723 7.899 ( 0.448 3.931 0.000) 3.957 8.064 ( 4.168 14.454 0.000) 15.043 8.262 ( 1.024 4.604 0.000) 4.716 8.351 ( -1.957 10.585 0.000) 10.765 8.586 ( -1.866 -3.859 0.000) 4.286 8.756 ( -12.448 4.094 0.000) 13.104 8.829 ( -11.872 0.976 0.000) 11.912 9.191 ( -8.940 8.278 0.000) 12.183 9.208 ( -6.436 7.789 0.000) 10.104 9.330 ( -5.408 3.226 0.000) 6.297 9.488 ( -11.046 -5.686 0.000) 12.423 20.390 ( 0.614 1.637 0.000) 1.749 20.492 ( -0.912 3.172 0.000) 3.301 20.527 ( 0.563 -4.774 0.000) 4.808 20.546 ( 0.564 2.184 0.000) 2.255 20.620 ( 0.034 1.425 0.000) 1.426 20.647 ( -0.501 2.800 0.000) 2.845 20.684 ( -0.081 0.827 0.000) 0.830 20.713 ( -0.189 -4.314 0.000) 4.318 24.399 ( 11.385 -0.191 0.000) 11.387 24.412 ( 12.126 -1.166 0.000) 12.182 25.629 ( -6.689 0.240 0.000) 6.693 25.651 ( -6.758 -0.782 0.000) 6.803 32.371 ( 0.602 -1.211 0.000) 1.352 32.438 ( -0.572 -1.378 0.000) 1.492 32.439 ( 0.291 -4.043 0.000) 4.053 32.479 ( -0.868 -3.278 0.000) 3.391 43.317 ( 14.843 9.734 0.000) 17.750 43.514 ( 14.372 0.401 0.000) 14.377 44.013 ( 6.284 1.518 0.000) 6.465 44.211 ( 10.635 -7.753 0.000) 13.162 45.076 ( -7.776 14.655 0.000) 16.590 45.813 ( -19.168 18.601 0.000) 26.710 45.897 ( -12.873 -24.022 0.000) 27.254 46.284 ( -29.741 -2.080 0.000) 29.814 ======================= Grid point 39 (24/120) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 8.441 5.910 0.000) 10.304 2.316 ( 2.104 -3.504 0.000) 4.087 2.388 ( 1.256 9.416 0.000) 9.500 2.518 ( -2.847 1.275 0.000) 3.119 2.684 ( 2.735 6.109 0.000) 6.694 2.927 ( 3.653 6.891 0.000) 7.800 2.933 ( -3.063 5.436 0.000) 6.239 3.042 ( 6.308 -9.206 0.000) 11.160 3.083 ( 0.564 0.040 0.000) 0.565 3.286 ( -0.924 -8.821 0.000) 8.869 3.370 ( -4.588 11.125 0.000) 12.034 3.659 ( -9.424 -4.841 0.000) 10.595 5.177 ( 2.826 18.946 0.000) 19.156 5.237 ( 1.744 23.914 0.000) 23.977 5.658 ( 3.607 2.478 0.000) 4.376 5.730 ( 3.737 6.768 0.000) 7.731 5.873 ( 8.311 -6.176 0.000) 10.354 5.931 ( 3.130 -2.865 0.000) 4.243 6.196 ( 7.517 -13.185 0.000) 15.177 6.347 ( -1.479 -15.386 0.000) 15.457 6.584 ( 20.496 3.319 0.000) 20.763 6.865 ( 25.085 -7.336 0.000) 26.136 7.467 ( 9.796 6.409 0.000) 11.706 7.593 ( 11.048 1.266 0.000) 11.121 7.706 ( -3.348 12.437 0.000) 12.880 7.880 ( -3.710 4.239 0.000) 5.633 8.147 ( 2.967 9.665 0.000) 10.110 8.267 ( -1.063 2.372 0.000) 2.599 8.305 ( -2.452 10.612 0.000) 10.892 8.464 ( -15.360 3.353 0.000) 15.722 8.547 ( -2.001 -3.747 0.000) 4.248 8.572 ( -12.304 1.337 0.000) 12.376 9.016 ( -7.042 7.781 0.000) 10.494 9.068 ( -6.920 9.607 0.000) 11.840 9.207 ( -6.547 3.669 0.000) 7.505 9.244 ( -12.127 -2.984 0.000) 12.489 20.407 ( 1.060 1.668 0.000) 1.976 20.474 ( -0.927 2.737 0.000) 2.889 20.538 ( 0.493 -3.537 0.000) 3.571 20.556 ( 0.337 0.628 0.000) 0.712 20.618 ( -0.156 2.404 0.000) 2.409 20.638 ( -0.430 2.851 0.000) 2.883 20.684 ( 0.176 0.066 0.000) 0.188 20.709 ( -0.271 -3.538 0.000) 3.548 24.661 ( 14.103 -0.062 0.000) 14.103 24.685 ( 14.349 -1.597 0.000) 14.438 25.461 ( -9.905 0.107 0.000) 9.905 25.481 ( -9.990 -0.851 0.000) 10.026 32.384 ( 0.672 -1.290 0.000) 1.455 32.425 ( -0.690 -1.438 0.000) 1.595 32.445 ( 0.284 -3.804 0.000) 3.815 32.465 ( -0.575 -3.179 0.000) 3.231 43.681 ( 20.842 10.746 0.000) 23.449 43.869 ( 20.522 1.910 0.000) 20.611 44.164 ( 8.321 4.200 0.000) 9.321 44.461 ( 13.518 -9.756 0.000) 16.671 44.896 ( -9.642 12.034 0.000) 15.420 45.375 ( -23.017 13.608 0.000) 26.738 45.595 ( -16.566 -20.791 0.000) 26.584 45.633 ( -33.362 3.883 0.000) 33.587 ======================= Grid point 40 (25/120) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 5.995 3.759 0.000) 7.077 2.357 ( -3.688 4.254 0.000) 5.630 2.371 ( 3.440 -1.638 0.000) 3.810 2.449 ( -3.899 -0.319 0.000) 3.912 2.768 ( 4.976 10.469 0.000) 11.591 2.862 ( -4.107 8.607 0.000) 9.536 3.002 ( 4.019 5.634 0.000) 6.921 3.071 ( -2.172 2.484 0.000) 3.299 3.213 ( 8.685 -8.235 0.000) 11.969 3.283 ( 1.716 -4.396 0.000) 4.719 3.289 ( -2.875 2.431 0.000) 3.765 3.450 ( -10.828 -5.246 0.000) 12.032 5.226 ( 1.941 21.781 0.000) 21.867 5.250 ( -0.324 23.761 0.000) 23.763 5.725 ( 2.815 5.298 0.000) 6.000 5.762 ( -0.445 6.739 0.000) 6.754 5.985 ( 2.541 -7.207 0.000) 7.642 5.986 ( 1.873 -6.269 0.000) 6.542 6.275 ( 2.349 -15.980 0.000) 16.152 6.315 ( -1.735 -15.367 0.000) 15.465 7.079 ( 25.226 7.143 0.000) 26.217 7.346 ( 21.345 -3.176 0.000) 21.580 7.518 ( -16.205 9.608 0.000) 18.839 7.701 ( -13.635 2.669 0.000) 13.894 7.718 ( 14.707 5.867 0.000) 15.834 7.875 ( 16.176 0.854 0.000) 16.198 8.038 ( -15.362 4.645 0.000) 16.049 8.197 ( -13.889 2.842 0.000) 14.177 8.226 ( 0.261 6.205 0.000) 6.210 8.257 ( -2.204 9.432 0.000) 9.686 8.442 ( 1.291 -0.701 0.000) 1.469 8.501 ( -2.809 -3.277 0.000) 4.316 8.943 ( -0.676 5.677 0.000) 5.717 8.958 ( -3.097 8.763 0.000) 9.294 9.054 ( -4.798 3.760 0.000) 6.096 9.080 ( -5.324 5.008 0.000) 7.309 20.431 ( 1.204 1.814 0.000) 2.177 20.454 ( -1.054 2.213 0.000) 2.451 20.548 ( 0.494 -2.135 0.000) 2.191 20.557 ( -0.285 -1.027 0.000) 1.066 20.619 ( 0.288 3.276 0.000) 3.289 20.628 ( -0.516 3.118 0.000) 3.161 20.691 ( 0.481 -1.289 0.000) 1.376 20.701 ( -0.457 -2.559 0.000) 2.600 24.953 ( 14.416 -0.015 0.000) 14.416 24.977 ( 14.247 -1.466 0.000) 14.322 25.231 ( -12.743 0.003 0.000) 12.743 25.251 ( -12.606 -1.095 0.000) 12.654 32.398 ( 0.654 -1.369 0.000) 1.517 32.411 ( -0.665 -1.425 0.000) 1.572 32.450 ( 0.251 -3.540 0.000) 3.549 32.456 ( -0.321 -3.304 0.000) 3.319 44.128 ( 21.402 12.118 0.000) 24.594 44.319 ( 4.683 8.577 0.000) 9.772 44.331 ( 24.219 2.798 0.000) 24.380 44.653 ( -2.769 -2.954 0.000) 4.049 44.718 ( -5.712 9.117 0.000) 10.759 44.976 ( -26.960 6.659 0.000) 27.771 45.020 ( -5.299 -1.637 0.000) 5.546 45.248 ( -16.941 -16.521 0.000) 23.663 ======================= Grid point 45 (26/120) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.955 ( 0.000 -15.049 0.000) 15.049 1.955 ( 0.000 15.049 0.000) 15.049 2.534 ( 0.000 -10.899 0.000) 10.899 2.534 ( 0.000 10.899 0.000) 10.899 2.608 ( 0.000 -4.482 0.000) 4.482 2.608 ( 0.000 4.482 0.000) 4.482 3.079 ( 0.000 -0.256 0.000) 0.256 3.079 ( 0.000 0.256 0.000) 0.256 3.153 ( 0.000 -8.203 0.000) 8.203 3.153 ( 0.000 8.203 0.000) 8.203 3.792 ( 0.000 -9.032 0.000) 9.032 3.792 ( 0.000 9.032 0.000) 9.032 5.299 ( 0.000 -8.262 0.000) 8.262 5.299 ( 0.000 8.262 0.000) 8.262 5.314 ( 0.000 -11.377 0.000) 11.377 5.314 ( 0.000 11.377 0.000) 11.377 5.479 ( 0.000 -0.821 0.000) 0.821 5.479 ( 0.000 0.821 0.000) 0.821 6.061 ( 0.000 -15.972 0.000) 15.972 6.061 ( 0.000 15.972 0.000) 15.972 6.072 ( 0.000 -14.963 0.000) 14.963 6.072 ( 0.000 14.963 0.000) 14.963 7.358 ( 0.000 -2.425 0.000) 2.425 7.358 ( 0.000 2.425 0.000) 2.425 7.751 ( 0.000 -6.983 0.000) 6.983 7.751 ( 0.000 6.983 0.000) 6.983 8.280 ( 0.000 -5.941 0.000) 5.941 8.280 ( 0.000 5.941 0.000) 5.941 8.534 ( 0.000 -4.858 0.000) 4.858 8.534 ( 0.000 4.858 0.000) 4.858 9.078 ( 0.000 -1.643 0.000) 1.643 9.078 ( 0.000 1.643 0.000) 1.643 9.453 ( 0.000 -2.957 0.000) 2.957 9.453 ( 0.000 2.957 0.000) 2.957 9.578 ( 0.000 -8.166 0.000) 8.166 9.578 ( 0.000 8.166 0.000) 8.166 20.426 ( 0.000 -3.017 0.000) 3.017 20.426 ( 0.000 3.017 0.000) 3.017 20.562 ( 0.000 -0.740 0.000) 0.740 20.562 ( 0.000 0.740 0.000) 0.740 20.642 ( 0.000 -2.371 0.000) 2.371 20.642 ( 0.000 2.371 0.000) 2.371 20.693 ( 0.000 -0.540 0.000) 0.540 20.693 ( 0.000 0.540 0.000) 0.540 24.142 ( 0.000 -0.279 0.000) 0.279 24.142 ( 0.000 0.279 0.000) 0.279 25.774 ( 0.000 -0.545 0.000) 0.545 25.774 ( 0.000 0.545 0.000) 0.545 32.366 ( 0.000 -1.932 0.000) 1.932 32.366 ( 0.000 1.932 0.000) 1.932 32.451 ( 0.000 -1.336 0.000) 1.336 32.451 ( 0.000 1.336 0.000) 1.336 43.156 ( 0.000 -5.052 0.000) 5.052 43.156 ( 0.000 5.052 0.000) 5.052 43.900 ( 0.000 -2.508 0.000) 2.508 43.900 ( 0.000 2.508 0.000) 2.508 45.656 ( 0.000 -22.723 0.000) 22.723 45.656 ( 0.000 22.723 0.000) 22.723 46.660 ( 0.000 -17.993 0.000) 17.993 46.660 ( 0.000 17.993 0.000) 17.993 ======================= Grid point 47 (27/120) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 4.697 -13.153 0.000) 13.966 2.007 ( 4.697 13.153 0.000) 13.966 2.555 ( 1.490 -10.286 0.000) 10.394 2.555 ( 1.490 10.286 0.000) 10.394 2.619 ( 1.557 -2.963 0.000) 3.347 2.619 ( 1.557 2.963 0.000) 3.347 3.067 ( -1.039 -0.493 0.000) 1.150 3.067 ( -1.039 0.493 0.000) 1.150 3.137 ( -1.493 -8.423 0.000) 8.554 3.137 ( -1.493 8.423 0.000) 8.554 3.771 ( -2.263 -8.914 0.000) 9.197 3.771 ( -2.263 8.914 0.000) 9.197 5.342 ( 2.760 -11.673 0.000) 11.995 5.342 ( 2.760 11.673 0.000) 11.995 5.353 ( 5.598 -7.542 0.000) 9.392 5.353 ( 5.598 7.542 0.000) 9.392 5.602 ( 10.723 -1.528 0.000) 10.832 5.602 ( 10.723 1.528 0.000) 10.832 6.068 ( -0.337 -14.621 0.000) 14.625 6.068 ( -0.337 14.621 0.000) 14.625 6.088 ( 3.333 -13.133 0.000) 13.549 6.088 ( 3.333 13.133 0.000) 13.549 7.371 ( 1.382 -2.499 0.000) 2.855 7.371 ( 1.382 2.499 0.000) 2.855 7.782 ( 2.828 -6.581 0.000) 7.162 7.782 ( 2.828 6.581 0.000) 7.162 8.281 ( 0.106 -5.658 0.000) 5.659 8.281 ( 0.106 5.658 0.000) 5.659 8.524 ( -0.958 -4.845 0.000) 4.939 8.524 ( -0.958 4.845 0.000) 4.939 9.012 ( -6.451 -1.608 0.000) 6.649 9.012 ( -6.451 1.608 0.000) 6.649 9.422 ( -2.991 -3.053 0.000) 4.274 9.422 ( -2.991 3.053 0.000) 4.274 9.518 ( -5.758 -7.980 0.000) 9.841 9.518 ( -5.758 7.980 0.000) 9.841 20.430 ( 0.336 -3.132 0.000) 3.150 20.430 ( 0.336 3.132 0.000) 3.150 20.556 ( -0.502 -1.107 0.000) 1.216 20.556 ( -0.502 1.107 0.000) 1.216 20.647 ( 0.398 -2.070 0.000) 2.108 20.647 ( 0.398 2.070 0.000) 2.108 20.691 ( -0.173 -0.663 0.000) 0.686 20.691 ( -0.173 0.663 0.000) 0.686 24.211 ( 6.603 -0.119 0.000) 6.604 24.211 ( 6.603 0.119 0.000) 6.604 25.740 ( -3.371 -0.552 0.000) 3.416 25.740 ( -3.371 0.552 0.000) 3.416 32.369 ( 0.299 -1.886 0.000) 1.910 32.369 ( 0.299 1.886 0.000) 1.910 32.446 ( -0.470 -1.227 0.000) 1.313 32.446 ( -0.470 1.227 0.000) 1.313 43.235 ( 7.791 -4.993 0.000) 9.254 43.235 ( 7.791 4.993 0.000) 9.254 43.946 ( 4.478 -3.151 0.000) 5.476 43.946 ( 4.478 3.151 0.000) 5.476 45.599 ( -5.570 -22.039 0.000) 22.732 45.599 ( -5.570 22.039 0.000) 22.732 46.519 ( -13.584 -16.220 0.000) 21.157 46.519 ( -13.584 16.220 0.000) 21.157 ======================= Grid point 49 (28/120) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 5.689 -8.982 0.000) 10.632 2.118 ( 5.689 8.982 0.000) 10.632 2.559 ( -1.275 -5.047 0.000) 5.206 2.559 ( -1.275 5.047 0.000) 5.206 2.698 ( 6.026 -6.447 0.000) 8.825 2.698 ( 6.026 6.447 0.000) 8.825 3.047 ( -0.787 -2.094 0.000) 2.237 3.047 ( -0.787 2.094 0.000) 2.237 3.105 ( -1.303 -8.969 0.000) 9.063 3.105 ( -1.303 8.969 0.000) 9.063 3.693 ( -5.537 -8.173 0.000) 9.872 3.693 ( -5.537 8.173 0.000) 9.872 5.420 ( 4.691 -12.459 0.000) 13.313 5.420 ( 4.691 12.459 0.000) 13.313 5.512 ( 9.110 -10.176 0.000) 13.658 5.512 ( 9.110 10.176 0.000) 13.658 5.812 ( 7.377 -7.991 0.000) 10.875 5.812 ( 7.377 7.991 0.000) 10.875 6.060 ( -0.476 -13.667 0.000) 13.675 6.060 ( -0.476 13.667 0.000) 13.675 6.263 ( 15.862 -3.726 0.000) 16.294 6.263 ( 15.862 3.726 0.000) 16.294 7.427 ( 4.599 -2.725 0.000) 5.345 7.427 ( 4.599 2.725 0.000) 5.345 7.850 ( 3.231 -5.473 0.000) 6.355 7.850 ( 3.231 5.473 0.000) 6.355 8.281 ( -0.220 -4.451 0.000) 4.457 8.281 ( -0.220 4.451 0.000) 4.457 8.496 ( -1.804 -4.909 0.000) 5.230 8.496 ( -1.804 4.909 0.000) 5.230 8.823 ( -11.977 -1.981 0.000) 12.140 8.823 ( -11.977 1.981 0.000) 12.140 9.336 ( -5.253 -3.349 0.000) 6.230 9.336 ( -5.253 3.349 0.000) 6.230 9.358 ( -9.523 -7.261 0.000) 11.975 9.358 ( -9.523 7.261 0.000) 11.975 20.440 ( 0.719 -3.314 0.000) 3.391 20.440 ( 0.719 3.314 0.000) 3.391 20.543 ( -0.754 -1.891 0.000) 2.036 20.543 ( -0.754 1.891 0.000) 2.036 20.656 ( 0.458 -1.777 0.000) 1.835 20.656 ( 0.458 1.777 0.000) 1.835 20.686 ( -0.263 -0.863 0.000) 0.902 20.686 ( -0.263 0.863 0.000) 0.902 24.399 ( 11.619 -0.254 0.000) 11.622 24.399 ( 11.619 0.254 0.000) 11.622 25.637 ( -6.756 -0.541 0.000) 6.778 25.637 ( -6.756 0.541 0.000) 6.778 32.377 ( 0.484 -1.761 0.000) 1.826 32.377 ( 0.484 1.761 0.000) 1.826 32.434 ( -0.683 -1.038 0.000) 1.242 32.434 ( -0.683 1.038 0.000) 1.242 43.468 ( 15.157 -4.812 0.000) 15.902 43.468 ( 15.157 4.812 0.000) 15.902 44.078 ( 8.488 -4.863 0.000) 9.782 44.078 ( 8.488 4.863 0.000) 9.782 45.437 ( -10.180 -20.095 0.000) 22.526 45.437 ( -10.180 20.095 0.000) 22.526 46.134 ( -23.716 -11.886 0.000) 26.528 46.134 ( -23.716 11.886 0.000) 26.528 ======================= Grid point 51 (29/120) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 5.022 -5.042 0.000) 7.116 2.227 ( 5.022 5.042 0.000) 7.116 2.509 ( -3.551 -2.581 0.000) 4.390 2.509 ( -3.551 2.581 0.000) 4.390 2.843 ( 7.723 -9.031 0.000) 11.883 2.843 ( 7.723 9.031 0.000) 11.883 3.035 ( -0.447 -4.096 0.000) 4.120 3.035 ( -0.447 4.096 0.000) 4.120 3.099 ( 1.196 -8.897 0.000) 8.977 3.099 ( 1.196 8.897 0.000) 8.977 3.549 ( -8.559 -6.472 0.000) 10.731 3.549 ( -8.559 6.472 0.000) 10.731 5.523 ( 5.324 -13.616 0.000) 14.620 5.523 ( 5.324 13.616 0.000) 14.620 5.666 ( 4.793 -15.750 0.000) 16.463 5.666 ( 4.793 15.750 0.000) 16.463 5.907 ( 3.688 -11.676 0.000) 12.245 5.907 ( 3.688 11.676 0.000) 12.245 6.049 ( -0.651 -12.238 0.000) 12.255 6.049 ( -0.651 12.238 0.000) 12.255 6.702 ( 25.440 -7.461 0.000) 26.511 6.702 ( 25.440 7.461 0.000) 26.511 7.574 ( 10.211 -3.249 0.000) 10.715 7.574 ( 10.211 3.249 0.000) 10.715 7.867 ( -3.196 -4.404 0.000) 5.442 7.867 ( -3.196 4.404 0.000) 5.442 8.270 ( -0.984 -2.582 0.000) 2.763 8.270 ( -0.984 2.582 0.000) 2.763 8.452 ( -2.453 -5.247 0.000) 5.792 8.452 ( -2.453 5.247 0.000) 5.792 8.546 ( -14.479 -3.519 0.000) 14.901 8.546 ( -14.479 3.519 0.000) 14.901 9.167 ( -8.154 -5.535 0.000) 9.856 9.167 ( -8.154 5.535 0.000) 9.856 9.219 ( -6.055 -3.666 0.000) 7.079 9.219 ( -6.055 3.666 0.000) 7.079 20.458 ( 1.057 -3.335 0.000) 3.499 20.458 ( 1.057 3.335 0.000) 3.499 20.526 ( -0.929 -2.515 0.000) 2.681 20.526 ( -0.929 2.515 0.000) 2.681 20.664 ( 0.352 -1.721 0.000) 1.757 20.664 ( 0.352 1.721 0.000) 1.757 20.681 ( -0.276 -1.030 0.000) 1.066 20.681 ( -0.276 1.030 0.000) 1.066 24.665 ( 14.212 -0.489 0.000) 14.221 24.665 ( 14.212 0.489 0.000) 14.221 25.467 ( -10.017 -0.489 0.000) 10.028 25.467 ( -10.017 0.489 0.000) 10.028 32.388 ( 0.526 -1.579 0.000) 1.664 32.388 ( 0.526 1.579 0.000) 1.664 32.420 ( -0.640 -1.011 0.000) 1.196 32.420 ( -0.640 1.011 0.000) 1.196 43.841 ( 21.382 -4.582 0.000) 21.867 43.841 ( 21.382 4.582 0.000) 21.867 44.282 ( 11.278 -7.301 0.000) 13.435 44.282 ( 11.278 7.301 0.000) 13.435 45.200 ( -12.905 -17.125 0.000) 21.443 45.200 ( -12.905 17.125 0.000) 21.443 45.596 ( -28.494 -6.891 0.000) 29.315 45.596 ( -28.494 6.891 0.000) 29.315 ======================= Grid point 53 (30/120) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 4.840 -2.755 0.000) 5.569 2.325 ( 4.840 2.755 0.000) 5.569 2.423 ( -4.712 -2.224 0.000) 5.211 2.423 ( -4.712 2.224 0.000) 5.211 2.973 ( 4.210 -8.745 0.000) 9.705 2.973 ( 4.210 8.745 0.000) 9.705 3.021 ( -1.185 -6.197 0.000) 6.310 3.021 ( -1.185 6.197 0.000) 6.310 3.178 ( 7.027 -4.985 0.000) 8.616 3.178 ( 7.027 4.985 0.000) 8.616 3.359 ( -9.824 -4.056 0.000) 10.629 3.359 ( -9.824 4.056 0.000) 10.629 5.625 ( 4.466 -15.223 0.000) 15.865 5.625 ( 4.466 15.223 0.000) 15.865 5.691 ( -1.666 -17.070 0.000) 17.151 5.691 ( -1.666 17.070 0.000) 17.151 5.982 ( 3.253 -10.304 0.000) 10.805 5.982 ( 3.253 10.304 0.000) 10.805 6.029 ( -1.481 -10.700 0.000) 10.802 6.029 ( -1.481 10.700 0.000) 10.802 7.226 ( 25.038 -7.017 0.000) 26.002 7.226 ( 25.038 7.017 0.000) 26.002 7.664 ( -16.905 -4.971 0.000) 17.621 7.664 ( -16.905 4.971 0.000) 17.621 7.836 ( 15.183 -4.420 0.000) 15.814 7.836 ( 15.183 4.420 0.000) 15.814 8.149 ( -13.849 -5.163 0.000) 14.780 8.149 ( -13.849 5.163 0.000) 14.780 8.362 ( -0.582 -6.119 0.000) 6.146 8.362 ( -0.582 6.119 0.000) 6.146 8.399 ( -2.684 -5.889 0.000) 6.471 8.399 ( -2.684 5.889 0.000) 6.471 9.069 ( -1.164 -3.511 0.000) 3.698 9.069 ( -1.164 3.511 0.000) 3.698 9.108 ( -4.371 -3.570 0.000) 5.644 9.108 ( -4.371 3.570 0.000) 5.644 20.482 ( 1.199 -3.165 0.000) 3.385 20.482 ( 1.199 3.165 0.000) 3.385 20.505 ( -1.114 -2.898 0.000) 3.104 20.505 ( -1.114 2.898 0.000) 3.104 20.670 ( 0.271 -1.555 0.000) 1.579 20.670 ( 0.271 1.555 0.000) 1.579 20.675 ( -0.261 -1.262 0.000) 1.288 20.675 ( -0.261 1.262 0.000) 1.288 24.958 ( 14.411 -0.517 0.000) 14.420 24.958 ( 14.411 0.517 0.000) 14.420 25.235 ( -12.773 -0.465 0.000) 12.781 25.235 ( -12.773 0.465 0.000) 12.781 32.398 ( 0.503 -1.370 0.000) 1.459 32.398 ( 0.503 1.370 0.000) 1.459 32.408 ( -0.533 -1.161 0.000) 1.278 32.408 ( -0.533 1.161 0.000) 1.278 44.308 ( 23.088 -4.971 0.000) 23.617 44.308 ( 23.088 4.971 0.000) 23.617 44.501 ( 7.752 -9.133 0.000) 11.979 44.501 ( 7.752 9.133 0.000) 11.979 44.944 ( -10.702 -12.746 0.000) 16.643 44.944 ( -10.702 12.746 0.000) 16.643 45.038 ( -23.523 -1.186 0.000) 23.553 45.038 ( -23.523 1.186 0.000) 23.553 ======================= Grid point 99 (31/120) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.207 ( 0.000 0.000 12.773) 12.773 0.568 ( 0.000 0.000 25.831) 25.831 0.879 ( 0.000 0.000 40.563) 40.563 2.255 ( 0.000 0.000 -16.554) 16.554 2.451 ( 0.000 0.000 -12.681) 12.681 2.564 ( 0.000 0.000 0.102) 0.102 2.613 ( 0.000 0.000 -4.175) 4.175 2.747 ( 0.000 0.000 4.263) 4.263 3.018 ( 0.000 0.000 -1.950) 1.950 3.260 ( 0.000 0.000 3.789) 3.789 3.277 ( 0.000 0.000 6.811) 6.811 3.943 ( 0.000 0.000 -15.463) 15.463 4.032 ( 0.000 0.000 -10.287) 10.287 4.039 ( 0.000 0.000 -7.370) 7.370 5.270 ( 0.000 0.000 7.775) 7.775 5.364 ( 0.000 0.000 10.183) 10.183 5.451 ( 0.000 0.000 7.488) 7.488 5.632 ( 0.000 0.000 -0.092) 0.092 5.849 ( 0.000 0.000 -0.168) 0.168 6.045 ( 0.000 0.000 10.240) 10.240 6.123 ( 0.000 0.000 3.331) 3.331 6.127 ( 0.000 0.000 -5.812) 5.812 6.198 ( 0.000 0.000 -1.446) 1.446 6.334 ( 0.000 0.000 1.401) 1.401 6.570 ( 0.000 0.000 9.497) 9.497 6.714 ( 0.000 0.000 -6.040) 6.040 7.336 ( 0.000 0.000 0.955) 0.955 7.667 ( 0.000 0.000 -11.459) 11.459 8.532 ( 0.000 0.000 3.532) 3.532 8.633 ( 0.000 0.000 4.064) 4.064 8.975 ( 0.000 0.000 -1.845) 1.845 9.028 ( 0.000 0.000 -3.324) 3.324 9.081 ( 0.000 0.000 -3.948) 3.948 9.343 ( 0.000 0.000 -3.053) 3.053 9.449 ( 0.000 0.000 7.001) 7.001 9.995 ( 0.000 0.000 -3.011) 3.011 20.017 ( 0.000 0.000 1.599) 1.599 20.220 ( 0.000 0.000 -1.390) 1.390 20.270 ( 0.000 0.000 1.649) 1.649 20.486 ( 0.000 0.000 -1.515) 1.515 20.499 ( 0.000 0.000 3.229) 3.229 20.867 ( 0.000 0.000 1.425) 1.425 20.994 ( 0.000 0.000 -4.364) 4.364 21.087 ( 0.000 0.000 -0.985) 0.985 24.145 ( 0.000 0.000 0.224) 0.224 24.176 ( 0.000 0.000 -0.213) 0.213 25.766 ( 0.000 0.000 0.339) 0.339 25.832 ( 0.000 0.000 -0.583) 0.583 32.628 ( 0.000 0.000 0.533) 0.533 32.654 ( 0.000 0.000 1.238) 1.238 32.741 ( 0.000 0.000 -0.946) 0.946 32.796 ( 0.000 0.000 -0.867) 0.867 42.364 ( 0.000 0.000 4.034) 4.034 42.946 ( 0.000 0.000 -4.176) 4.176 44.007 ( 0.000 0.000 1.769) 1.769 44.243 ( 0.000 0.000 -1.588) 1.588 44.420 ( 0.000 0.000 1.261) 1.261 44.508 ( 0.000 0.000 0.036) 0.036 47.859 ( 0.000 0.000 1.877) 1.877 48.128 ( 0.000 0.000 -1.873) 1.873 ======================= Grid point 100 (32/120) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 17.522 0.000 5.441) 18.347 0.674 ( 13.763 0.000 16.049) 21.142 1.245 ( 27.992 0.000 28.533) 39.971 2.266 ( 1.041 0.000 -16.203) 16.236 2.417 ( -3.049 0.000 -11.746) 12.135 2.498 ( -5.523 0.000 -0.211) 5.527 2.621 ( -0.067 0.000 -4.264) 4.264 2.660 ( -6.885 0.000 3.367) 7.664 3.044 ( -0.058 0.000 -4.503) 4.503 3.261 ( 1.688 0.000 5.362) 5.621 3.321 ( 4.106 0.000 6.873) 8.006 3.949 ( -1.407 0.000 -12.728) 12.805 4.013 ( -1.941 0.000 -8.265) 8.489 4.033 ( -0.364 0.000 -9.711) 9.718 5.289 ( 2.033 0.000 7.598) 7.865 5.443 ( 7.475 0.000 9.238) 11.884 5.470 ( 2.278 0.000 7.998) 8.316 5.652 ( 1.056 0.000 13.934) 13.974 5.904 ( 4.257 0.000 1.265) 4.442 6.011 ( -2.568 0.000 4.920) 5.550 6.144 ( 3.174 0.000 3.697) 4.872 6.187 ( 5.028 0.000 -3.084) 5.899 6.336 ( 8.834 0.000 -11.999) 14.900 6.385 ( 4.938 0.000 1.353) 5.120 6.732 ( 1.927 0.000 -5.692) 6.009 6.829 ( 18.140 0.000 -4.253) 18.632 7.374 ( 4.830 0.000 -0.726) 4.884 7.647 ( -1.910 0.000 -11.224) 11.386 8.463 ( -6.778 0.000 3.532) 7.643 8.646 ( 0.910 0.000 4.068) 4.168 8.777 ( -12.241 0.000 9.020) 15.205 8.984 ( -4.220 0.000 -3.305) 5.361 9.010 ( -6.974 0.000 -3.934) 8.007 9.268 ( -6.450 0.000 1.056) 6.536 9.458 ( -0.085 0.000 2.576) 2.578 9.942 ( -5.137 0.000 -3.087) 5.993 20.024 ( 0.694 0.000 1.593) 1.738 20.224 ( 0.397 0.000 -1.242) 1.304 20.265 ( -0.404 0.000 1.494) 1.547 20.478 ( -0.786 0.000 -1.504) 1.697 20.503 ( 0.509 0.000 3.084) 3.126 20.801 ( -3.886 0.000 4.178) 5.706 20.997 ( 0.257 0.000 -4.307) 4.314 21.082 ( -0.516 0.000 -1.211) 1.317 24.241 ( 6.298 0.000 -0.104) 6.299 24.444 ( 19.357 0.000 -15.056) 24.523 25.733 ( -3.219 0.000 0.306) 3.233 25.799 ( -3.253 0.000 -0.590) 3.306 32.632 ( 0.369 0.000 0.460) 0.590 32.656 ( 0.099 0.000 0.423) 0.434 32.740 ( -0.135 0.000 -0.769) 0.781 32.784 ( -0.838 0.000 -1.055) 1.348 42.407 ( 4.269 0.000 3.998) 5.848 42.985 ( 3.799 0.000 -4.156) 5.631 43.948 ( -5.712 0.000 1.951) 6.036 44.208 ( -3.505 0.000 -1.749) 3.917 44.445 ( 1.946 0.000 1.720) 2.597 44.575 ( 7.230 0.000 -0.134) 7.231 46.732 ( -82.293 0.000 74.624) 111.089 47.733 ( -12.672 0.000 1.277) 12.736 ======================= Grid point 101 (33/120) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 18.731 0.000 2.257) 18.866 1.049 ( 20.903 0.000 2.577) 21.062 1.850 ( 29.767 0.000 16.324) 33.949 2.296 ( 1.921 0.000 -15.396) 15.515 2.352 ( -8.826 0.000 0.061) 8.826 2.353 ( -2.337 0.000 -8.196) 8.523 2.502 ( -8.460 0.000 0.896) 8.507 2.601 ( -1.887 0.000 -5.440) 5.758 2.955 ( -8.015 0.000 -5.367) 9.646 3.364 ( 7.479 0.000 4.214) 8.585 3.427 ( 6.004 0.000 6.955) 9.188 3.867 ( -6.513 0.000 -6.549) 9.236 3.955 ( -3.702 0.000 -3.725) 5.252 4.016 ( -1.701 0.000 -10.182) 10.323 5.350 ( 3.827 0.000 7.327) 8.267 5.526 ( 2.761 0.000 10.179) 10.547 5.646 ( 11.821 0.000 6.983) 13.730 5.667 ( 0.378 0.000 18.387) 18.391 5.899 ( -4.507 0.000 6.322) 7.764 6.026 ( 3.032 0.000 0.702) 3.112 6.267 ( 8.919 0.000 0.054) 8.919 6.322 ( 7.981 0.000 -2.040) 8.237 6.535 ( 10.331 0.000 -11.163) 15.210 6.545 ( 11.375 0.000 1.119) 11.430 6.794 ( 4.478 0.000 -4.476) 6.331 7.059 ( 5.414 0.000 0.899) 5.488 7.565 ( 12.570 0.000 -5.036) 13.541 7.597 ( -2.572 0.000 -10.436) 10.749 8.262 ( -12.914 0.000 3.529) 13.387 8.618 ( -1.914 0.000 4.904) 5.264 8.662 ( -1.850 0.000 5.591) 5.889 8.803 ( -13.321 0.000 -3.900) 13.880 8.886 ( -4.402 0.000 -3.890) 5.874 9.112 ( -8.013 0.000 3.724) 8.836 9.430 ( -2.690 0.000 -0.879) 2.830 9.792 ( -9.560 0.000 -3.588) 10.212 20.044 ( 1.313 0.000 1.574) 2.050 20.224 ( -0.775 0.000 0.280) 0.824 20.265 ( 0.776 0.000 -0.047) 0.777 20.455 ( -1.466 0.000 -1.472) 2.078 20.523 ( 1.439 0.000 2.570) 2.946 20.742 ( -2.288 0.000 3.235) 3.962 21.004 ( 0.452 0.000 -4.118) 4.143 21.068 ( -0.815 0.000 -1.744) 1.925 24.421 ( 11.207 0.000 0.117) 11.208 24.762 ( 12.616 0.000 -12.878) 18.028 25.637 ( -6.346 0.000 0.200) 6.349 25.702 ( -6.204 0.000 -0.713) 6.245 32.641 ( 0.526 0.000 0.251) 0.583 32.656 ( -0.074 0.000 -0.304) 0.313 32.736 ( -0.205 0.000 -0.657) 0.689 32.770 ( -0.521 0.000 -1.427) 1.519 42.534 ( 8.174 0.000 3.882) 9.049 43.097 ( 7.148 0.000 -4.106) 8.243 43.785 ( -10.136 0.000 2.407) 10.418 44.101 ( -6.946 0.000 -2.129) 7.265 44.491 ( 2.655 0.000 3.613) 4.484 44.805 ( 15.104 0.000 -0.889) 15.130 45.585 ( -35.160 0.000 61.263) 70.635 47.372 ( -22.354 0.000 -0.893) 22.372 ======================= Grid point 102 (34/120) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 18.190 0.000 0.749) 18.206 1.467 ( 19.750 0.000 -2.645) 19.926 2.142 ( -11.902 0.000 -0.630) 11.918 2.251 ( 3.375 0.000 -9.584) 10.161 2.311 ( -8.139 0.000 -1.412) 8.260 2.344 ( 2.735 0.000 -13.142) 13.423 2.518 ( 23.010 0.000 12.149) 26.020 2.549 ( -3.179 0.000 -6.998) 7.686 2.754 ( -11.277 0.000 -5.426) 12.515 3.531 ( 8.582 0.000 1.925) 8.796 3.551 ( 6.010 0.000 6.764) 9.048 3.687 ( -11.323 0.000 -2.132) 11.522 3.869 ( -4.612 0.000 0.765) 4.675 3.957 ( -4.149 0.000 -7.154) 8.270 5.440 ( 4.986 0.000 7.119) 8.692 5.575 ( 2.113 0.000 12.309) 12.489 5.665 ( -0.595 0.000 17.124) 17.135 5.791 ( -5.814 0.000 6.333) 8.597 5.874 ( 9.556 0.000 4.522) 10.572 6.068 ( 1.021 0.000 1.817) 2.084 6.472 ( 10.152 0.000 -3.792) 10.837 6.503 ( 9.847 0.000 -1.244) 9.925 6.701 ( 5.698 0.000 -8.579) 10.299 6.839 ( 16.700 0.000 0.696) 16.715 6.880 ( 1.696 0.000 -4.911) 5.195 7.210 ( 12.762 0.000 6.434) 14.292 7.572 ( 1.370 0.000 -8.687) 8.794 7.794 ( 8.429 0.000 -1.531) 8.567 7.950 ( -17.537 0.000 3.499) 17.883 8.480 ( -18.208 0.000 -3.896) 18.620 8.517 ( -8.241 0.000 4.948) 9.613 8.687 ( 1.825 0.000 1.018) 2.089 8.803 ( -2.234 0.000 -3.528) 4.176 9.024 ( 0.935 0.000 1.557) 1.816 9.352 ( -4.900 0.000 -2.820) 5.654 9.564 ( -12.602 0.000 -4.363) 13.336 20.076 ( 1.786 0.000 1.541) 2.359 20.197 ( -1.752 0.000 1.195) 2.120 20.293 ( 1.783 0.000 -0.988) 2.039 20.420 ( -1.954 0.000 -1.419) 2.415 20.559 ( 2.074 0.000 2.201) 3.024 20.698 ( -2.147 0.000 2.367) 3.196 21.014 ( 0.549 0.000 -3.827) 3.866 21.052 ( -0.751 0.000 -2.398) 2.513 24.679 ( 13.917 0.000 0.250) 13.919 24.988 ( 10.259 0.000 -7.567) 12.748 25.475 ( -9.708 0.000 0.108) 9.708 25.555 ( -8.126 0.000 -1.137) 8.206 32.650 ( 0.258 0.000 -0.303) 0.398 32.655 ( 0.105 0.000 -0.604) 0.613 32.733 ( 0.043 0.000 -0.603) 0.604 32.761 ( -0.496 0.000 -1.123) 1.227 42.733 ( 11.335 0.000 3.666) 11.914 43.267 ( 9.281 0.000 -4.112) 10.151 43.551 ( -12.497 0.000 3.069) 12.869 43.931 ( -9.668 0.000 -2.559) 10.001 44.558 ( 4.110 0.000 7.201) 8.292 45.044 ( -9.172 0.000 27.260) 28.762 45.235 ( 14.699 0.000 7.393) 16.454 46.857 ( -27.789 0.000 -2.796) 27.930 ======================= Grid point 103 (35/120) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 16.779 0.000 -0.134) 16.780 1.828 ( 15.611 0.000 -4.500) 16.247 1.873 ( -14.627 0.000 -0.558) 14.638 2.097 ( -11.306 0.000 -4.104) 12.028 2.341 ( 6.182 0.000 -7.664) 9.846 2.406 ( 3.380 0.000 -11.082) 11.586 2.478 ( -3.633 0.000 -8.918) 9.630 2.521 ( -11.027 0.000 -5.977) 12.543 3.006 ( 22.430 0.000 7.413) 23.623 3.403 ( -16.800 0.000 2.364) 16.965 3.667 ( 5.433 0.000 5.907) 8.025 3.701 ( 8.026 0.000 -0.677) 8.055 3.772 ( -4.991 0.000 4.005) 6.399 3.849 ( -6.448 0.000 -3.744) 7.456 5.549 ( 5.744 0.000 6.871) 8.956 5.613 ( 1.733 0.000 13.881) 13.988 5.644 ( -1.325 0.000 15.361) 15.418 5.669 ( -6.054 0.000 6.587) 8.946 6.014 ( 4.437 0.000 2.900) 5.301 6.067 ( -1.144 0.000 2.251) 2.525 6.639 ( 5.896 0.000 -5.461) 8.037 6.669 ( 4.004 0.000 -3.466) 5.296 6.791 ( 3.728 0.000 -5.719) 6.827 6.858 ( -2.722 0.000 -4.324) 5.110 7.183 ( 17.485 0.000 1.656) 17.563 7.541 ( 17.517 0.000 5.496) 18.359 7.559 ( -18.573 0.000 2.406) 18.728 7.729 ( 12.887 0.000 -5.001) 13.823 7.823 ( -7.485 0.000 2.859) 8.013 8.086 ( -19.929 0.000 -4.132) 20.353 8.420 ( 1.375 0.000 4.133) 4.356 8.550 ( -9.347 0.000 2.419) 9.655 8.957 ( 11.762 0.000 -5.405) 12.945 9.091 ( 2.842 0.000 -1.035) 3.025 9.241 ( -5.293 0.000 -4.606) 7.017 9.309 ( -11.069 0.000 -4.376) 11.903 20.115 ( 2.052 0.000 1.489) 2.536 20.157 ( -2.061 0.000 1.402) 2.493 20.333 ( 2.144 0.000 -1.226) 2.470 20.378 ( -2.190 0.000 -1.343) 2.568 20.604 ( 2.368 0.000 2.023) 3.114 20.653 ( -2.347 0.000 2.041) 3.110 21.026 ( 0.576 0.000 -3.449) 3.497 21.038 ( -0.624 0.000 -2.978) 3.043 24.969 ( 14.299 0.000 0.212) 14.300 25.187 ( 8.857 0.000 -4.202) 9.803 25.248 ( -11.932 0.000 0.162) 11.934 25.380 ( -9.076 0.000 -2.176) 9.333 32.654 ( 0.178 0.000 -0.807) 0.827 32.657 ( -0.055 0.000 -0.792) 0.793 32.739 ( 0.445 0.000 -0.480) 0.655 32.750 ( -0.581 0.000 -0.668) 0.885 42.985 ( 13.347 0.000 3.299) 13.749 43.261 ( -13.223 0.000 2.308) 13.423 43.495 ( 10.358 0.000 -2.636) 10.688 43.719 ( -11.094 0.000 -2.900) 11.467 44.661 ( 6.226 0.000 12.855) 14.283 44.817 ( -9.446 0.000 21.507) 23.490 45.707 ( 26.693 0.000 -2.830) 26.843 46.276 ( -29.013 0.000 -3.540) 29.228 ======================= Grid point 108 (36/120) ======================= q-point: ( 0.00 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.000 11.517 20.635) 23.631 0.785 ( 0.000 23.781 10.597) 26.035 1.347 ( 0.000 41.248 19.772) 45.742 2.364 ( 0.000 7.874 -14.183) 16.222 2.433 ( 0.000 -0.262 -11.080) 11.083 2.598 ( 0.000 4.011 -0.185) 4.015 2.652 ( 0.000 -3.965 2.697) 4.795 2.715 ( 0.000 6.045 -6.550) 8.913 3.016 ( 0.000 -0.221 -2.044) 2.056 3.215 ( 0.000 -2.727 3.840) 4.710 3.668 ( 0.000 22.809 -7.725) 24.081 3.920 ( 0.000 -2.432 -13.062) 13.286 3.983 ( 0.000 -4.790 -8.605) 9.848 4.147 ( 0.000 10.113 -9.878) 14.136 5.384 ( 0.000 1.796 9.102) 9.277 5.416 ( 0.000 1.947 5.533) 5.866 5.619 ( 0.000 -1.054 0.603) 1.214 5.624 ( 0.000 27.409 7.899) 28.524 5.698 ( 0.000 -9.626 8.405) 12.779 5.915 ( 0.000 -2.354 10.745) 10.999 6.071 ( 0.000 1.569 14.742) 14.825 6.346 ( 0.000 19.912 -6.200) 20.855 6.505 ( 0.000 8.273 -3.243) 8.886 6.534 ( 0.000 16.283 0.920) 16.309 6.723 ( 0.000 2.715 -4.757) 5.478 6.960 ( 0.000 25.857 -11.942) 28.481 7.271 ( 0.000 -5.962 0.525) 5.985 7.675 ( 0.000 0.987 -10.812) 10.857 8.471 ( 0.000 -5.359 3.839) 6.592 8.691 ( 0.000 5.078 2.909) 5.852 8.767 ( 0.000 -9.947 2.239) 10.196 9.032 ( 0.000 0.517 -3.051) 3.094 9.112 ( 0.000 0.757 -2.021) 2.158 9.315 ( 0.000 -2.289 -3.232) 3.960 9.428 ( 0.000 -1.839 6.996) 7.233 9.973 ( 0.000 -2.040 -2.865) 3.517 20.084 ( 0.000 6.221 1.840) 6.487 20.287 ( 0.000 3.234 1.137) 3.428 20.325 ( 0.000 4.686 -0.593) 4.724 20.457 ( 0.000 -1.881 1.330) 2.303 20.506 ( 0.000 1.819 -1.440) 2.320 20.794 ( 0.000 -4.258 4.102) 5.913 20.940 ( 0.000 -5.140 -4.172) 6.620 21.046 ( 0.000 -3.691 -1.230) 3.890 24.144 ( 0.000 -0.086 0.213) 0.230 24.173 ( 0.000 -0.228 -0.202) 0.305 25.765 ( 0.000 -0.069 0.322) 0.330 25.827 ( 0.000 -0.428 -0.515) 0.669 32.593 ( 0.000 -3.174 0.572) 3.225 32.631 ( 0.000 -2.108 1.193) 2.423 32.708 ( 0.000 -2.891 -0.900) 3.028 32.767 ( 0.000 -2.708 -0.839) 2.835 42.433 ( 0.000 6.426 3.962) 7.549 42.997 ( 0.000 4.227 -3.515) 5.498 44.154 ( 0.000 -5.775 0.200) 5.779 44.296 ( 0.000 9.840 -10.262) 14.217 44.427 ( 0.000 5.658 -1.633) 5.889 44.713 ( 0.000 16.482 -2.221) 16.631 47.715 ( 0.000 -13.444 2.135) 13.612 47.748 ( 0.000 -21.302 14.848) 25.966 ======================= Grid point 109 (37/120) ======================= q-point: ( 0.11 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 12.658 14.438 8.012) 20.806 0.979 ( 13.096 23.321 8.160) 27.963 1.519 ( 17.017 29.366 20.309) 39.553 2.348 ( -1.415 3.905 -12.095) 12.788 2.433 ( 0.089 4.218 -11.574) 12.319 2.536 ( -4.933 2.035 -0.002) 5.337 2.629 ( -4.249 1.972 -1.914) 5.060 2.686 ( -1.096 3.572 -2.045) 4.260 3.010 ( -2.216 -1.766 -4.680) 5.471 3.231 ( 2.894 -2.061 5.583) 6.618 3.632 ( -1.091 20.032 -1.773) 20.140 3.918 ( -1.869 -3.051 -8.325) 9.061 3.997 ( 0.921 -2.304 -12.698) 12.938 4.132 ( -1.537 10.554 -8.049) 13.362 5.410 ( 3.044 1.418 6.512) 7.327 5.498 ( 7.344 3.291 8.321) 11.576 5.626 ( 1.229 10.514 8.744) 13.729 5.653 ( 1.682 15.164 12.951) 20.012 5.816 ( 9.806 -8.178 0.045) 12.768 6.015 ( 6.943 -2.693 4.325) 8.612 6.114 ( 3.868 6.254 10.499) 12.818 6.367 ( 2.257 18.200 -6.253) 19.376 6.527 ( 3.623 8.254 -1.016) 9.071 6.592 ( 3.980 16.738 -1.730) 17.291 6.745 ( 3.006 2.119 -4.970) 6.183 7.002 ( 2.817 12.917 -7.498) 15.199 7.337 ( 7.150 -2.022 -3.057) 8.034 7.653 ( -2.115 0.819 -10.605) 10.845 8.442 ( -3.651 -2.790 3.558) 5.812 8.657 ( -5.028 -1.041 3.754) 6.361 8.675 ( -4.173 -2.244 4.567) 6.581 8.985 ( -4.666 0.288 -2.888) 5.495 9.032 ( -7.258 1.127 -2.247) 7.681 9.245 ( -6.198 -1.903 0.618) 6.513 9.430 ( -0.452 -2.436 3.210) 4.055 9.919 ( -5.356 -2.231 -2.999) 6.532 20.090 ( 0.530 6.057 1.818) 6.346 20.288 ( 0.246 3.363 0.814) 3.469 20.306 ( -1.514 4.459 0.236) 4.715 20.466 ( 0.876 -1.953 1.415) 2.566 20.499 ( -0.656 1.827 -1.372) 2.377 20.764 ( -2.213 -2.722 3.961) 5.291 20.944 ( 0.362 -5.023 -4.139) 6.518 21.041 ( -0.443 -3.664 -1.384) 3.941 24.238 ( 6.298 -0.230 -0.106) 6.303 24.348 ( 15.944 -5.893 -5.961) 18.013 25.733 ( -3.240 -0.087 0.292) 3.254 25.794 ( -3.259 -0.437 -0.547) 3.334 32.597 ( 0.362 -3.179 0.527) 3.242 32.630 ( -0.067 -2.277 0.769) 2.405 32.708 ( -0.025 -2.856 -0.811) 2.969 32.753 ( -1.118 -2.775 -0.829) 3.105 42.480 ( 4.673 6.798 3.903) 9.126 43.038 ( 4.063 4.559 -3.530) 7.054 44.130 ( -2.625 -2.707 -0.120) 3.773 44.278 ( -2.685 15.244 -12.244) 19.736 44.475 ( 5.156 0.790 0.769) 5.273 44.700 ( -0.527 13.408 -1.744) 13.531 46.855 ( -65.045 8.511 45.418) 79.788 47.593 ( -12.151 -13.041 1.526) 17.889 ======================= Grid point 110 (38/120) ======================= q-point: ( 0.22 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 18.723 10.795 -1.036) 21.637 1.237 ( 12.721 25.231 3.943) 28.530 1.964 ( 23.758 12.629 13.027) 29.894 2.322 ( -0.414 1.582 -5.974) 6.194 2.409 ( -6.336 2.285 -1.901) 6.999 2.445 ( 0.024 9.056 -11.025) 14.267 2.507 ( -6.815 4.027 -2.382) 8.266 2.659 ( -1.973 4.083 -2.867) 5.365 2.911 ( -7.003 -2.747 -4.580) 8.807 3.339 ( 7.074 -2.175 4.123) 8.472 3.645 ( 1.431 14.560 0.466) 14.638 3.849 ( -4.463 0.277 -2.705) 5.226 3.988 ( -1.970 -1.956 -11.045) 11.388 4.086 ( -2.890 11.572 -3.831) 12.527 5.488 ( 3.961 2.107 7.656) 8.874 5.643 ( 2.064 3.625 13.436) 14.068 5.691 ( 2.459 16.981 11.691) 20.762 5.712 ( 10.849 8.243 6.995) 15.316 6.023 ( 7.851 1.635 2.294) 8.341 6.099 ( 1.477 6.491 4.389) 7.974 6.241 ( 10.382 4.247 2.055) 11.404 6.443 ( 5.157 13.603 -6.325) 15.863 6.646 ( 5.767 6.206 -4.359) 9.527 6.688 ( 7.768 13.900 -0.031) 15.924 6.850 ( 5.830 5.962 -5.746) 10.127 7.052 ( 3.607 -0.182 1.106) 3.777 7.551 ( 12.420 -0.559 -5.670) 13.664 7.597 ( -2.976 0.255 -9.908) 10.348 8.288 ( -11.595 2.109 3.111) 12.189 8.558 ( -1.916 -3.954 2.665) 5.139 8.640 ( -2.025 -1.401 4.679) 5.288 8.809 ( -12.827 0.213 -2.036) 12.989 8.887 ( -5.624 0.371 -3.468) 6.618 9.091 ( -8.150 -1.687 3.509) 9.032 9.397 ( -2.862 -2.979 -0.251) 4.139 9.761 ( -10.027 -2.864 -3.440) 10.981 20.106 ( 1.020 5.611 1.742) 5.963 20.273 ( -1.682 3.919 0.890) 4.357 20.300 ( 0.954 3.273 0.144) 3.413 20.475 ( -1.106 1.538 -1.256) 2.273 20.496 ( 1.474 -1.530 1.510) 2.607 20.722 ( -1.982 -1.740 2.966) 3.969 20.954 ( 0.626 -4.727 -3.992) 6.219 21.029 ( -0.724 -3.536 -1.804) 4.035 24.419 ( 11.215 -0.223 0.092) 11.217 24.663 ( 14.252 -7.517 -7.844) 17.921 25.635 ( -6.377 -0.143 0.193) 6.382 25.696 ( -6.307 -0.530 -0.664) 6.364 32.607 ( 0.553 -3.174 0.354) 3.241 32.628 ( -0.105 -2.467 0.064) 2.470 32.707 ( -0.138 -2.724 -0.666) 2.808 32.733 ( -0.810 -3.238 -0.981) 3.479 42.620 ( 9.014 7.935 3.696) 12.565 43.159 ( 7.764 5.526 -3.611) 10.191 44.020 ( -8.913 9.256 -2.626) 13.115 44.191 ( -5.519 12.706 -8.287) 16.142 44.560 ( 1.033 5.779 1.833) 6.150 44.790 ( 11.865 -0.209 -1.037) 11.913 45.743 ( -41.148 14.810 51.133) 67.283 47.246 ( -21.571 -11.831 -0.532) 24.608 ======================= Grid point 111 (39/120) ======================= q-point: ( 0.33 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 13.615 21.682 1.186) 25.630 1.534 ( 18.009 6.610 -3.578) 19.515 2.237 ( -7.994 5.382 -3.156) 10.140 2.246 ( 1.515 1.886 -6.640) 7.067 2.321 ( -7.276 2.975 -2.692) 8.309 2.458 ( 1.629 6.903 -7.259) 10.149 2.560 ( 12.218 7.162 1.211) 14.214 2.624 ( 5.099 5.503 0.934) 7.560 2.745 ( -8.914 -0.385 -4.315) 9.911 3.496 ( 8.092 -3.021 1.803) 8.824 3.608 ( -7.205 -0.412 -2.437) 7.617 3.798 ( 1.071 14.878 4.664) 15.629 3.922 ( -4.397 -2.803 -6.862) 8.618 4.019 ( -3.691 12.842 0.448) 13.370 5.558 ( 2.964 1.720 10.555) 11.097 5.661 ( -0.024 0.388 15.594) 15.599 5.743 ( 3.154 23.487 7.363) 24.815 5.930 ( 6.827 5.906 5.246) 10.441 6.047 ( 0.129 19.693 4.897) 20.293 6.170 ( 3.108 6.724 1.809) 7.626 6.518 ( 14.311 3.247 -0.752) 14.694 6.574 ( 8.272 8.588 -4.788) 12.849 6.736 ( 4.141 3.907 -4.542) 7.283 6.887 ( 0.248 4.313 -5.135) 6.710 6.926 ( 11.831 6.605 -0.361) 13.555 7.242 ( 14.720 3.309 4.004) 15.610 7.560 ( 0.772 -1.183 -8.476) 8.593 7.772 ( 6.550 -1.254 -1.500) 6.836 8.000 ( -15.114 4.200 2.672) 15.913 8.464 ( -16.094 -1.721 -4.264) 16.738 8.510 ( -8.224 -0.548 4.471) 9.376 8.655 ( 2.949 -2.340 1.263) 3.971 8.777 ( -5.363 -1.860 -2.149) 6.069 8.992 ( 0.248 -2.712 1.580) 3.149 9.316 ( -5.016 -3.277 -2.183) 6.377 9.522 ( -13.262 -3.893 -4.069) 14.408 20.131 ( 1.450 5.011 1.615) 5.461 20.238 ( -1.818 3.722 1.170) 4.304 20.326 ( 1.614 3.032 -0.492) 3.470 20.444 ( -1.805 2.168 -1.351) 3.128 20.536 ( 2.253 -1.810 1.789) 3.399 20.681 ( -2.129 -1.544 2.248) 3.459 20.968 ( 0.756 -4.329 -3.724) 5.760 21.014 ( -0.745 -3.483 -2.349) 4.267 24.677 ( 13.933 -0.199 0.211) 13.936 24.925 ( 11.896 -5.303 -5.631) 14.189 25.473 ( -9.707 -0.177 0.096) 9.709 25.545 ( -8.456 -0.903 -1.012) 8.564 32.618 ( 0.445 -3.070 -0.022) 3.102 32.627 ( -0.020 -2.590 -0.423) 2.624 32.704 ( -0.084 -2.729 -0.607) 2.796 32.720 ( -0.462 -3.511 -0.810) 3.633 42.840 ( 12.670 9.884 3.237) 16.392 43.346 ( 10.424 7.107 -3.872) 13.197 43.776 ( -14.436 16.580 -1.754) 22.053 44.047 ( -8.973 11.286 -4.964) 15.249 44.577 ( 2.005 2.225 6.081) 6.779 45.075 ( -1.336 1.881 16.341) 16.504 45.203 ( 1.890 -1.149 17.615) 17.753 46.748 ( -26.897 -10.239 -2.408) 28.880 ======================= Grid point 112 (40/120) ======================= q-point: ( 0.44 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 13.190 16.491 0.735) 21.129 1.869 ( 14.554 4.187 -5.417) 16.084 2.025 ( -11.660 11.569 -0.265) 16.428 2.120 ( -10.582 3.104 -4.635) 11.962 2.330 ( 5.355 0.245 -7.898) 9.545 2.455 ( -4.362 0.711 -5.980) 7.436 2.538 ( -0.431 7.887 -9.593) 12.426 2.591 ( -5.050 5.678 -5.458) 9.356 3.021 ( 20.131 2.253 6.404) 21.245 3.377 ( -14.768 -1.218 1.447) 14.889 3.659 ( 7.785 -3.357 -0.995) 8.537 3.802 ( -5.697 -0.823 -4.355) 7.218 3.866 ( 2.959 13.622 5.797) 15.097 3.941 ( -3.915 14.415 3.767) 15.405 5.610 ( 2.156 0.996 12.825) 13.043 5.646 ( -1.375 0.604 14.380) 14.458 5.819 ( 4.322 22.353 6.016) 23.549 5.910 ( -4.319 18.876 5.597) 20.157 6.139 ( 4.777 11.947 2.865) 13.182 6.194 ( -0.738 10.274 2.322) 10.559 6.695 ( 5.912 5.063 -6.209) 9.957 6.759 ( 2.254 7.750 -2.747) 8.526 6.823 ( 4.414 4.577 -3.244) 7.138 6.855 ( -0.591 1.255 -5.136) 5.320 7.202 ( 15.416 2.891 1.041) 15.719 7.554 ( -6.152 1.166 2.420) 6.712 7.593 ( 4.446 3.474 4.091) 6.969 7.707 ( 13.472 -1.859 -5.387) 14.628 7.857 ( -7.221 3.034 2.721) 8.292 8.077 ( -20.039 -0.808 -3.967) 20.444 8.416 ( 1.371 -0.290 3.781) 4.032 8.546 ( -9.227 -0.249 2.195) 9.488 8.898 ( 12.226 -5.193 -4.557) 14.043 9.051 ( 2.516 -3.568 -1.004) 4.480 9.199 ( -6.094 -3.764 -4.036) 8.222 9.255 ( -11.031 -4.843 -3.549) 12.559 20.163 ( 1.755 4.413 1.470) 4.972 20.200 ( -1.878 3.944 1.328) 4.566 20.363 ( 1.974 2.741 -0.911) 3.499 20.404 ( -2.032 2.452 -1.180) 3.396 20.584 ( 2.492 -1.671 1.835) 3.517 20.635 ( -2.412 -1.562 1.937) 3.465 20.984 ( 0.759 -3.923 -3.348) 5.213 20.999 ( -0.727 -3.615 -2.882) 4.680 24.967 ( 14.313 -0.168 0.177) 14.315 25.152 ( 10.427 -3.126 -3.462) 11.422 25.245 ( -12.437 -0.216 0.166) 12.440 25.360 ( -9.709 -1.749 -1.861) 10.039 32.624 ( 0.214 -2.850 -0.481) 2.898 32.627 ( -0.045 -2.753 -0.604) 2.819 32.705 ( 0.222 -3.011 -0.489) 3.059 32.712 ( -0.393 -3.348 -0.534) 3.413 43.125 ( 15.215 12.610 2.240) 19.888 43.438 ( -14.029 14.955 -0.712) 20.518 43.597 ( 9.877 9.769 -2.244) 14.072 43.834 ( -11.681 10.812 -3.807) 16.365 44.657 ( 5.889 -0.318 12.400) 13.732 44.822 ( -10.746 0.679 21.496) 24.042 45.633 ( 25.870 -6.944 -2.642) 26.916 46.185 ( -28.137 -8.559 -3.215) 29.586 ======================= Grid point 117 (41/120) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.000 15.969 13.769) 21.085 1.248 ( 0.000 22.193 3.735) 22.505 2.168 ( 0.000 29.590 6.574) 30.312 2.446 ( 0.000 1.783 -6.331) 6.577 2.472 ( 0.000 2.622 -8.849) 9.230 2.653 ( 0.000 7.672 -0.052) 7.672 2.744 ( 0.000 8.146 -3.288) 8.785 2.824 ( 0.000 4.473 -4.906) 6.640 3.006 ( 0.000 -0.717 -1.814) 1.951 3.143 ( 0.000 -3.839 2.214) 4.432 3.792 ( 0.000 -9.694 -5.425) 11.109 3.914 ( 0.000 -1.509 -12.548) 12.639 4.118 ( 0.000 21.329 -8.477) 22.952 4.404 ( 0.000 13.905 -8.466) 16.279 5.427 ( 0.000 2.017 6.346) 6.659 5.432 ( 0.000 0.542 4.643) 4.675 5.560 ( 0.000 -3.818 7.432) 8.355 5.593 ( 0.000 -1.510 2.284) 2.738 5.874 ( 0.000 -1.776 7.747) 7.948 6.074 ( 0.000 -1.415 18.813) 18.867 6.397 ( 0.000 42.880 4.907) 43.160 6.615 ( 0.000 -1.146 -7.231) 7.321 6.701 ( 0.000 10.648 -4.431) 11.533 6.871 ( 0.000 18.267 -3.854) 18.669 7.074 ( 0.000 25.654 0.505) 25.659 7.121 ( 0.000 -4.852 -0.080) 4.853 7.368 ( 0.000 14.656 -0.299) 14.659 7.747 ( 0.000 8.258 -8.267) 11.685 8.335 ( 0.000 -7.112 3.910) 8.116 8.675 ( 0.000 -0.139 -3.697) 3.700 8.819 ( 0.000 6.589 1.474) 6.752 9.061 ( 0.000 2.711 -2.627) 3.775 9.120 ( 0.000 0.049 0.172) 0.179 9.268 ( 0.000 -1.530 -4.901) 5.135 9.385 ( 0.000 -1.942 6.842) 7.112 9.914 ( 0.000 -3.639 -2.681) 4.520 20.251 ( 0.000 9.229 2.349) 9.523 20.331 ( 0.000 -1.439 1.146) 1.839 20.372 ( 0.000 4.157 1.792) 4.527 20.511 ( 0.000 5.051 -1.696) 5.328 20.555 ( 0.000 2.742 -1.256) 3.016 20.722 ( 0.000 -2.814 3.626) 4.590 20.796 ( 0.000 -8.158 -3.983) 9.078 20.948 ( 0.000 -5.528 -1.372) 5.696 24.141 ( 0.000 -0.118 0.183) 0.218 24.167 ( 0.000 -0.391 -0.173) 0.427 25.764 ( 0.000 -0.066 0.274) 0.281 25.815 ( 0.000 -0.667 -0.439) 0.799 32.509 ( 0.000 -4.624 0.690) 4.675 32.573 ( 0.000 -3.319 1.030) 3.476 32.629 ( 0.000 -4.622 -0.885) 4.706 32.690 ( 0.000 -4.527 -0.737) 4.587 42.613 ( 0.000 10.429 3.777) 11.091 43.102 ( 0.000 5.454 -1.899) 5.775 44.041 ( 0.000 -4.977 1.437) 5.180 44.265 ( 0.000 -5.351 0.121) 5.353 44.642 ( 0.000 9.440 -8.452) 12.671 45.119 ( 0.000 21.627 -5.901) 22.418 47.339 ( 0.000 -21.701 3.976) 22.062 47.439 ( 0.000 -10.053 9.689) 13.962 ======================= Grid point 118 (42/120) ======================= q-point: ( 0.11 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 12.028 15.749 5.110) 20.465 1.370 ( 11.210 18.159 5.876) 22.135 2.197 ( 2.936 24.032 4.943) 24.711 2.403 ( -1.844 3.251 -5.388) 6.557 2.521 ( 2.330 3.563 -6.944) 8.145 2.618 ( -2.472 10.030 -1.142) 10.393 2.740 ( -2.644 6.436 -3.643) 7.854 2.788 ( -1.131 6.198 -2.917) 6.942 2.973 ( -3.999 -1.793 -4.747) 6.460 3.177 ( 3.719 -3.001 4.261) 6.402 3.764 ( -2.832 -8.160 -5.449) 10.213 3.902 ( -0.197 -0.251 -8.632) 8.637 4.142 ( 1.358 19.405 -8.101) 21.072 4.402 ( -0.308 14.684 -6.834) 16.199 5.431 ( 2.846 1.324 5.529) 6.358 5.556 ( 8.933 1.970 6.659) 11.314 5.610 ( 3.423 -0.998 11.596) 12.131 5.673 ( 8.682 -4.449 2.221) 10.005 5.958 ( 5.971 -3.291 2.799) 7.370 6.177 ( 10.705 0.405 13.789) 17.461 6.412 ( 1.645 41.722 4.784) 42.027 6.586 ( -0.778 0.452 -5.705) 5.776 6.785 ( 6.184 9.052 -5.386) 12.214 6.881 ( 1.155 14.386 -3.370) 14.821 7.078 ( 0.309 25.427 -1.762) 25.490 7.095 ( -1.276 1.046 2.935) 3.367 7.439 ( 6.348 10.859 -1.835) 12.711 7.723 ( -2.379 8.363 -8.131) 11.904 8.343 ( 0.491 -6.032 3.664) 7.074 8.623 ( -4.448 1.287 -2.749) 5.385 8.760 ( -5.578 5.680 1.713) 8.143 9.008 ( -5.412 2.372 -2.097) 6.270 9.049 ( -6.516 0.525 -0.425) 6.551 9.208 ( -5.533 -0.949 -1.443) 5.796 9.372 ( -1.428 -2.695 3.963) 5.000 9.854 ( -5.864 -3.894 -2.765) 7.563 20.251 ( -0.006 8.694 2.189) 8.966 20.338 ( 0.590 -0.822 1.115) 1.506 20.372 ( -0.014 4.451 1.560) 4.716 20.500 ( -0.773 4.731 -0.957) 4.888 20.549 ( -0.602 2.761 -1.298) 3.110 20.708 ( -1.181 -2.466 3.263) 4.257 20.803 ( 0.699 -7.932 -3.886) 8.860 20.944 ( -0.370 -5.503 -1.440) 5.700 24.232 ( 6.311 -0.391 -0.104) 6.324 24.261 ( 10.732 -2.639 -1.191) 11.116 25.730 ( -3.292 -0.092 0.252) 3.303 25.782 ( -3.305 -0.688 -0.464) 3.407 32.513 ( 0.362 -4.622 0.664) 4.683 32.570 ( -0.256 -3.368 0.858) 3.485 32.629 ( 0.023 -4.599 -0.825) 4.672 32.677 ( -1.177 -4.421 -0.674) 4.625 42.670 ( 5.648 10.966 3.667) 12.869 43.153 ( 5.035 6.038 -2.017) 8.116 44.048 ( 0.734 -4.040 1.796) 4.482 44.337 ( 6.674 -5.039 -1.022) 8.425 44.614 ( -2.589 9.117 -8.209) 12.538 45.066 ( -5.107 20.303 -5.349) 21.608 46.985 ( -39.177 3.333 17.048) 42.855 47.229 ( -11.109 -20.972 3.420) 23.977 ======================= Grid point 119 (43/120) ======================= q-point: ( 0.22 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 14.804 14.143 -3.826) 20.828 1.632 ( 12.968 13.930 5.070) 19.695 2.259 ( 1.821 7.427 -4.791) 9.024 2.394 ( 0.113 3.085 -0.055) 3.087 2.552 ( 1.892 10.412 -1.078) 10.637 2.577 ( -2.869 11.376 -2.038) 11.908 2.671 ( -0.377 9.443 -2.236) 9.711 2.779 ( -0.801 7.410 -4.377) 8.643 2.863 ( -6.116 -1.608 -4.549) 7.790 3.280 ( 6.118 -3.391 4.184) 8.151 3.682 ( -5.146 -6.124 -4.616) 9.236 3.900 ( -0.979 -2.525 -6.127) 6.699 4.164 ( 1.219 20.891 -3.365) 21.195 4.388 ( -1.137 16.565 -3.154) 16.901 5.515 ( 4.566 1.754 6.917) 8.471 5.649 ( 1.964 0.620 14.287) 14.435 5.788 ( 11.825 3.143 6.674) 13.937 5.939 ( 15.571 -4.217 0.090) 16.133 6.071 ( 6.467 -3.290 4.979) 8.800 6.406 ( 7.473 19.331 1.017) 20.750 6.492 ( 7.212 27.319 3.775) 28.506 6.619 ( 4.405 -1.673 -2.042) 5.135 6.869 ( 0.800 10.039 -2.104) 10.288 6.969 ( 8.109 3.653 -4.790) 10.102 7.081 ( 1.675 20.705 -3.215) 21.020 7.138 ( 5.893 15.032 3.663) 16.556 7.599 ( 8.406 6.200 -3.843) 11.130 7.657 ( -3.424 8.280 -7.267) 11.536 8.313 ( -5.235 -0.547 2.797) 5.960 8.529 ( -4.319 1.595 -2.429) 5.205 8.631 ( -5.411 1.330 3.145) 6.399 8.821 ( -12.586 1.285 -0.005) 12.652 8.904 ( -7.355 1.289 -2.202) 7.785 9.063 ( -8.153 -0.366 2.039) 8.412 9.322 ( -3.530 -3.762 0.812) 5.223 9.681 ( -11.041 -4.646 -3.003) 12.349 20.253 ( 0.239 7.744 1.830) 7.960 20.345 ( -0.242 1.490 1.100) 1.868 20.376 ( 0.699 4.312 0.742) 4.431 20.492 ( 0.247 3.049 0.335) 3.078 20.531 ( -1.114 2.832 -1.244) 3.288 20.680 ( -1.549 -1.922 2.616) 3.597 20.823 ( 1.152 -7.423 -3.700) 8.374 20.933 ( -0.649 -5.443 -1.662) 5.728 24.413 ( 11.241 -0.361 0.040) 11.247 24.523 ( 14.171 -5.303 -2.692) 15.368 25.632 ( -6.470 -0.184 0.173) 6.475 25.682 ( -6.531 -0.801 -0.538) 6.602 32.523 ( 0.578 -4.611 0.565) 4.681 32.564 ( -0.325 -3.541 0.471) 3.587 32.629 ( -0.017 -4.537 -0.694) 4.589 32.651 ( -1.158 -4.397 -0.626) 4.590 42.839 ( 10.961 12.557 3.266) 16.985 43.303 ( 9.609 7.728 -2.413) 12.565 44.066 ( 0.645 -0.635 2.347) 2.516 44.458 ( -0.750 6.873 -10.655) 12.702 44.596 ( 5.785 -1.071 -0.494) 5.904 44.937 ( -6.077 14.585 -3.602) 16.206 46.103 ( -43.131 16.769 26.239) 53.197 46.912 ( -19.661 -19.398 1.264) 27.649 ======================= Grid point 120 (44/120) ======================= q-point: ( 0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 14.786 10.696 -6.691) 19.437 1.865 ( 10.073 12.222 2.247) 15.997 2.269 ( -0.501 1.570 -8.777) 8.930 2.356 ( -2.742 4.824 -2.540) 6.103 2.458 ( -7.341 7.904 -1.725) 10.924 2.574 ( -2.052 5.065 -3.459) 6.468 2.736 ( -3.407 3.473 -9.385) 10.571 2.765 ( -2.279 5.707 -0.232) 6.150 2.828 ( 13.309 14.999 5.448) 20.779 3.416 ( 7.164 -4.509 2.732) 8.895 3.555 ( -7.573 -3.934 -2.353) 8.853 3.841 ( -4.776 -4.491 -4.926) 8.200 4.204 ( 2.689 22.261 1.351) 22.463 4.357 ( -1.838 18.732 0.333) 18.825 5.593 ( 3.028 2.301 9.588) 10.314 5.678 ( 0.754 1.677 13.300) 13.427 6.007 ( 8.744 1.756 3.715) 9.662 6.105 ( 3.128 0.458 1.206) 3.384 6.361 ( 17.518 5.197 4.158) 18.740 6.520 ( 5.254 29.322 1.253) 29.815 6.623 ( 5.347 7.661 -2.720) 9.730 6.740 ( 6.566 6.239 -0.028) 9.057 6.859 ( -0.540 3.958 1.090) 4.140 7.095 ( 3.332 23.887 -4.026) 24.451 7.224 ( 12.735 13.328 -2.205) 18.565 7.357 ( 14.625 8.678 1.366) 17.060 7.564 ( -3.503 5.919 -7.837) 10.427 7.779 ( 5.601 2.779 -1.620) 6.459 8.104 ( -13.150 5.494 1.753) 14.359 8.414 ( -11.192 -2.497 -4.618) 12.362 8.506 ( -9.854 0.373 3.303) 10.399 8.635 ( 1.012 1.085 2.024) 2.509 8.748 ( -8.616 -0.467 -0.763) 8.662 8.937 ( -2.228 -1.911 1.457) 3.277 9.231 ( -5.379 -4.469 -0.818) 7.041 9.418 ( -14.613 -5.746 -3.255) 16.036 20.262 ( 0.638 6.861 1.436) 7.039 20.328 ( -1.200 4.135 0.933) 4.406 20.400 ( 1.493 3.576 -0.017) 3.875 20.500 ( -1.020 2.901 -1.010) 3.236 20.517 ( 1.130 1.118 1.144) 1.959 20.645 ( -1.933 -1.460 2.200) 3.273 20.848 ( 1.345 -6.789 -3.394) 7.709 20.918 ( -0.842 -5.471 -2.030) 5.896 24.672 ( 13.975 -0.316 0.125) 13.979 24.810 ( 13.814 -5.130 -2.690) 14.979 25.468 ( -9.720 -0.274 0.074) 9.724 25.522 ( -9.166 -1.233 -0.730) 9.277 32.535 ( 0.579 -4.564 0.361) 4.615 32.557 ( -0.271 -3.837 0.119) 3.849 32.628 ( -0.093 -4.432 -0.566) 4.469 32.634 ( -0.586 -4.511 -0.593) 4.587 43.108 ( 15.436 15.017 2.302) 21.658 43.534 ( 12.975 10.332 -3.338) 16.919 44.038 ( -4.912 8.260 1.206) 9.685 44.335 ( -8.567 13.008 -11.453) 19.333 44.662 ( -3.065 5.329 2.416) 6.605 45.011 ( 15.486 -5.588 -1.557) 16.537 45.346 ( -30.357 13.267 27.322) 42.943 46.457 ( -24.642 -17.053 -0.832) 29.979 ======================= Grid point 121 (45/120) ======================= q-point: ( 0.44 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 10.789 6.986 -7.070) 14.669 2.039 ( 6.376 7.745 -0.251) 10.035 2.220 ( -3.263 7.168 -6.842) 10.433 2.282 ( -7.691 9.400 -1.155) 12.200 2.372 ( 2.792 4.830 -5.247) 7.658 2.476 ( -6.309 2.213 -4.092) 7.838 2.706 ( 0.224 6.386 -6.243) 8.934 2.726 ( -1.587 7.499 -4.036) 8.663 3.116 ( 13.902 6.577 4.258) 15.959 3.368 ( -10.796 0.063 0.671) 10.817 3.569 ( 7.597 -5.144 0.581) 9.193 3.719 ( -6.988 -5.124 -2.305) 8.967 4.262 ( 2.827 21.810 2.937) 22.188 4.315 ( -2.361 20.581 2.462) 20.862 5.643 ( 2.042 2.480 11.146) 11.600 5.675 ( -0.988 2.381 12.018) 12.292 6.123 ( 2.965 1.806 1.805) 3.913 6.143 ( 0.680 2.566 1.389) 2.996 6.587 ( 4.551 25.107 3.076) 25.701 6.604 ( 2.238 30.714 2.656) 30.909 6.715 ( 3.741 -2.910 -2.940) 5.577 6.778 ( -2.389 -3.309 -2.404) 4.737 7.023 ( 14.330 12.068 1.712) 18.812 7.149 ( 1.237 22.259 -3.108) 22.509 7.410 ( 3.574 18.935 -2.574) 19.440 7.619 ( -11.160 6.166 0.426) 12.757 7.658 ( 15.615 -2.537 -5.606) 16.784 7.690 ( 10.705 5.517 2.091) 12.223 7.941 ( -7.345 5.024 2.009) 9.123 8.060 ( -20.013 -0.594 -3.442) 20.316 8.411 ( 1.817 -0.135 2.240) 2.888 8.549 ( -9.571 0.607 1.250) 9.671 8.786 ( 11.553 -4.002 -1.841) 12.364 8.964 ( 1.633 -4.195 -0.805) 4.573 9.102 ( -8.735 -5.042 -2.717) 10.445 9.131 ( -9.491 -6.483 -1.374) 11.576 20.279 ( 1.027 6.051 1.114) 6.238 20.302 ( -1.273 5.244 0.927) 5.475 20.433 ( 1.729 3.497 -0.609) 3.949 20.468 ( -1.724 3.339 -1.038) 3.898 20.556 ( 2.246 -0.319 1.842) 2.922 20.602 ( -2.268 -0.990 2.015) 3.191 20.875 ( 1.276 -6.173 -2.971) 6.969 20.899 ( -1.059 -5.708 -2.490) 6.317 24.962 ( 14.345 -0.272 0.100) 14.348 25.077 ( 12.501 -3.660 -1.991) 13.177 25.240 ( -12.657 -0.288 0.089) 12.660 25.317 ( -11.009 -2.231 -1.198) 11.296 32.545 ( 0.431 -4.422 0.112) 4.444 32.552 ( -0.289 -4.165 -0.012) 4.175 32.626 ( -0.068 -4.371 -0.510) 4.401 32.627 ( -0.140 -4.557 -0.505) 4.587 43.450 ( 17.833 17.437 0.229) 24.942 43.759 ( -2.962 14.454 -4.908) 15.549 43.884 ( 2.177 16.568 -0.922) 16.736 44.126 ( -12.455 15.473 -7.323) 21.170 44.657 ( 4.622 0.570 10.840) 11.798 44.865 ( -16.216 4.101 20.732) 26.638 45.435 ( 23.497 -11.597 -2.033) 26.281 45.941 ( -25.833 -14.417 -2.049) 29.655 ======================= Grid point 126 (46/120) ======================= q-point: ( 0.00 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.000 16.958 9.155) 19.271 1.695 ( 0.000 20.556 -3.928) 20.927 2.375 ( 0.000 -0.803 -1.855) 2.021 2.479 ( 0.000 0.732 -2.526) 2.630 2.507 ( 0.000 1.070 -7.318) 7.396 2.832 ( 0.000 -1.086 -5.732) 5.834 2.900 ( 0.000 3.417 -4.231) 5.438 3.005 ( 0.000 1.148 -1.303) 1.737 3.059 ( 0.000 3.288 0.075) 3.289 3.123 ( 0.000 20.991 4.795) 21.532 3.563 ( 0.000 -11.761 -4.055) 12.440 3.899 ( 0.000 -0.226 -8.077) 8.080 4.557 ( 0.000 20.822 -8.478) 22.482 4.704 ( 0.000 14.865 -5.997) 16.029 5.444 ( 0.000 0.800 1.088) 1.350 5.461 ( 0.000 1.195 3.184) 3.401 5.526 ( 0.000 -0.366 5.199) 5.212 5.548 ( 0.000 -3.005 3.518) 4.627 5.850 ( 0.000 -0.207 5.473) 5.477 6.022 ( 0.000 -2.725 19.207) 19.400 6.525 ( 0.000 -7.444 -5.400) 9.196 6.788 ( 0.000 -13.333 -0.163) 13.334 6.921 ( 0.000 9.968 -7.303) 12.357 7.204 ( 0.000 2.658 -6.770) 7.273 7.262 ( 0.000 37.485 3.711) 37.668 7.626 ( 0.000 11.783 7.904) 14.188 7.667 ( 0.000 26.987 -1.646) 27.037 8.062 ( 0.000 18.428 -0.935) 18.452 8.209 ( 0.000 -3.485 3.706) 5.087 8.689 ( 0.000 0.083 -2.644) 2.646 8.935 ( 0.000 4.442 0.546) 4.475 9.106 ( 0.000 -1.162 0.816) 1.420 9.159 ( 0.000 6.598 -2.605) 7.093 9.290 ( 0.000 3.726 -6.693) 7.660 9.369 ( 0.000 1.011 5.810) 5.898 9.825 ( 0.000 -4.887 -2.357) 5.426 20.304 ( 0.000 -0.653 -2.311) 2.402 20.431 ( 0.000 6.918 2.038) 7.212 20.470 ( 0.000 4.654 1.702) 4.955 20.590 ( 0.000 -1.864 -1.748) 2.555 20.596 ( 0.000 2.541 0.343) 2.564 20.654 ( 0.000 -2.250 -2.593) 3.433 20.686 ( 0.000 -0.117 3.565) 3.567 20.828 ( 0.000 -5.747 -0.849) 5.810 24.139 ( 0.000 -0.063 0.135) 0.149 24.158 ( 0.000 -0.446 -0.125) 0.463 25.763 ( 0.000 0.041 0.195) 0.199 25.800 ( 0.000 -0.749 -0.321) 0.815 32.419 ( 0.000 -3.752 0.785) 3.833 32.504 ( 0.000 -3.100 0.747) 3.188 32.526 ( 0.000 -5.034 -0.616) 5.072 32.591 ( 0.000 -4.858 -0.562) 4.891 42.840 ( 0.000 10.977 3.516) 11.527 43.201 ( 0.000 3.591 -0.102) 3.592 43.953 ( 0.000 -3.399 1.997) 3.942 44.139 ( 0.000 -6.485 1.844) 6.742 44.834 ( 0.000 10.136 -8.733) 13.379 45.542 ( 0.000 16.995 -14.026) 22.035 46.887 ( 0.000 -19.587 10.714) 22.326 47.265 ( 0.000 -7.973 6.395) 10.220 ======================= Grid point 127 (47/120) ======================= q-point: ( 0.11 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 10.285 15.069 5.103) 18.944 1.757 ( 5.853 18.580 -2.949) 19.702 2.358 ( -1.487 -0.163 -3.143) 3.481 2.454 ( -1.040 1.625 -3.548) 4.039 2.555 ( 3.142 0.573 -5.503) 6.363 2.811 ( -2.225 -0.461 -3.458) 4.138 2.869 ( -2.562 2.410 -7.241) 8.050 2.975 ( -2.539 2.862 -2.206) 4.416 3.077 ( 1.211 11.298 2.644) 11.666 3.139 ( 2.011 11.251 4.401) 12.247 3.555 ( -0.964 -11.035 -3.169) 11.521 3.890 ( -0.960 -0.434 -7.034) 7.112 4.578 ( 1.850 21.394 -7.433) 22.724 4.718 ( 1.204 15.587 -4.811) 16.356 5.469 ( 3.304 2.068 3.234) 5.065 5.553 ( 9.507 -1.394 2.109) 9.837 5.619 ( 6.991 0.278 7.072) 9.948 5.623 ( 6.382 -0.434 5.695) 8.564 5.886 ( 3.110 -2.883 3.140) 5.276 6.130 ( 11.360 -3.670 12.805) 17.507 6.518 ( -0.469 -6.833 -4.689) 8.301 6.778 ( -0.715 -12.556 0.719) 12.597 6.963 ( 4.023 8.576 -7.023) 11.792 7.210 ( 0.763 7.436 -5.705) 9.403 7.281 ( 1.860 32.469 2.768) 32.640 7.656 ( 1.676 17.484 3.673) 17.944 7.677 ( 2.270 20.369 1.225) 20.531 8.051 ( -1.256 19.786 -1.040) 19.854 8.229 ( 1.907 -3.949 3.679) 5.725 8.660 ( -2.689 0.934 -2.691) 3.917 8.868 ( -6.516 4.460 0.768) 7.933 9.038 ( -6.655 -0.768 1.429) 6.850 9.107 ( -5.010 6.479 -2.832) 8.665 9.241 ( -4.694 4.287 -4.371) 7.715 9.341 ( -2.669 0.267 3.798) 4.649 9.762 ( -6.237 -4.971 -2.347) 8.314 20.310 ( 0.546 -0.565 -2.181) 2.318 20.426 ( -0.450 6.206 1.837) 6.487 20.472 ( 0.229 4.856 1.402) 5.060 20.587 ( -0.386 -0.782 -1.348) 1.606 20.591 ( -0.482 2.911 0.435) 2.983 20.658 ( 0.475 -2.801 -2.060) 3.509 20.680 ( -0.432 -0.249 2.817) 2.860 20.825 ( -0.280 -5.662 -0.833) 5.730 24.223 ( 6.664 -0.533 -0.098) 6.686 24.226 ( 7.786 -0.912 -0.201) 7.842 25.730 ( -3.346 0.022 0.182) 3.351 25.767 ( -3.345 -0.763 -0.337) 3.448 32.422 ( 0.364 -3.754 0.766) 3.849 32.500 ( -0.310 -3.112 0.661) 3.197 32.528 ( 0.092 -4.984 -0.580) 5.018 32.580 ( -0.954 -4.695 -0.503) 4.817 42.908 ( 6.702 11.442 3.369) 13.682 43.264 ( 6.244 4.156 -0.251) 7.505 43.976 ( 2.278 -2.781 2.304) 4.270 44.205 ( 6.466 -6.956 1.379) 9.596 44.800 ( -3.247 9.792 -8.735) 13.518 45.470 ( -7.050 16.538 -13.012) 22.193 46.784 ( -10.073 -19.274 9.585) 23.766 47.000 ( -24.606 -2.343 8.601) 26.171 ======================= Grid point 128 (48/120) ======================= q-point: ( 0.22 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 12.270 12.232 -2.283) 17.475 1.911 ( 8.515 13.750 -1.542) 16.246 2.323 ( -1.761 0.412 -5.308) 5.607 2.443 ( -0.172 2.643 -3.036) 4.030 2.611 ( 1.650 1.194 -3.319) 3.895 2.749 ( -3.426 4.165 -1.953) 5.735 2.799 ( -4.036 -2.060 -11.587) 12.442 2.936 ( -1.090 5.243 -1.825) 5.657 3.099 ( 1.403 19.871 4.550) 20.434 3.208 ( 4.546 -1.647 4.406) 6.541 3.520 ( -2.464 -8.700 -1.569) 9.177 3.850 ( -3.278 -1.835 -4.700) 6.017 4.625 ( 2.650 22.708 -4.543) 23.310 4.744 ( 1.182 17.440 -2.260) 17.626 5.568 ( 5.628 3.192 3.977) 7.595 5.683 ( 2.932 2.580 11.370) 12.022 5.802 ( 10.842 -2.541 5.358) 12.358 5.881 ( 15.273 -0.680 1.042) 15.323 5.978 ( 9.050 -4.439 3.264) 10.595 6.437 ( 14.513 -5.499 -2.042) 15.654 6.525 ( 2.525 -6.771 -1.072) 7.306 6.786 ( 3.205 -10.252 4.312) 11.575 7.079 ( 7.419 6.277 -6.755) 11.835 7.240 ( 2.175 18.655 -2.911) 19.006 7.343 ( 4.767 20.168 0.659) 20.734 7.666 ( 0.035 24.603 -0.941) 24.621 7.776 ( 6.341 10.977 2.690) 12.959 8.010 ( -2.631 21.630 -0.842) 21.805 8.271 ( 1.340 -2.520 2.952) 4.106 8.581 ( -5.942 1.973 -3.587) 7.215 8.691 ( -9.381 3.698 1.730) 10.231 8.847 ( -11.616 0.312 2.615) 11.911 8.970 ( -8.069 6.120 -2.850) 10.521 9.108 ( -7.999 5.004 -0.802) 9.469 9.266 ( -4.645 -0.975 1.009) 4.852 9.579 ( -11.615 -5.071 -2.285) 12.878 20.326 ( 0.998 -0.188 -1.880) 2.137 20.415 ( -0.585 4.875 1.271) 5.071 20.478 ( 0.269 4.886 0.617) 4.932 20.574 ( -0.934 0.182 -1.224) 1.551 20.580 ( -0.478 4.007 1.408) 4.274 20.660 ( -0.590 0.218 2.404) 2.485 20.685 ( 1.212 -3.889 -1.966) 4.523 20.817 ( -0.533 -5.433 -0.841) 5.524 24.405 ( 11.295 -0.368 -0.000) 11.301 24.445 ( 12.905 -2.534 -0.791) 13.175 25.629 ( -6.601 -0.063 0.132) 6.602 25.665 ( -6.704 -0.826 -0.376) 6.765 32.432 ( 0.593 -3.756 0.702) 3.867 32.492 ( -0.510 -3.169 0.506) 3.250 32.530 ( 0.097 -4.859 -0.531) 4.889 32.558 ( -1.054 -4.432 -0.405) 4.574 43.108 ( 12.949 12.772 2.809) 18.403 43.450 ( 11.911 5.802 -0.839) 13.275 44.045 ( 4.548 -0.868 3.129) 5.588 44.392 ( 11.697 -7.800 0.163) 14.060 44.706 ( -5.909 8.699 -8.607) 13.589 45.268 ( -12.360 14.796 -10.134) 21.781 46.358 ( -35.738 7.312 12.423) 38.535 46.499 ( -18.071 -18.605 6.955) 26.853 ======================= Grid point 129 (49/120) ======================= q-point: ( 0.33 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 11.379 9.210 -5.998) 15.820 2.069 ( 6.636 9.203 -2.874) 11.704 2.294 ( -0.896 0.626 -6.875) 6.961 2.436 ( -0.826 3.046 -2.485) 4.017 2.591 ( -3.294 4.624 0.704) 5.721 2.666 ( -4.978 4.216 -8.939) 11.066 2.765 ( 1.222 1.179 -7.670) 7.856 2.912 ( -1.725 5.535 -4.063) 7.079 3.154 ( 4.187 14.557 5.346) 16.063 3.316 ( 5.978 -4.869 4.299) 8.828 3.459 ( -3.540 -4.888 0.486) 6.055 3.753 ( -6.142 -3.620 -1.792) 7.351 4.681 ( 2.775 23.357 -1.721) 23.584 4.761 ( 0.444 19.818 -0.119) 19.824 5.663 ( 3.501 4.604 6.574) 8.756 5.734 ( 1.873 3.437 10.501) 11.207 5.989 ( 6.636 -2.936 3.347) 7.991 6.026 ( 4.840 -6.320 -0.816) 8.002 6.388 ( 22.674 -1.196 3.049) 22.909 6.548 ( 4.509 -6.182 -3.259) 8.317 6.634 ( 2.495 -7.910 -1.503) 8.429 7.004 ( 15.707 0.505 5.324) 16.592 7.273 ( 11.292 4.395 -6.949) 13.968 7.282 ( 2.365 26.184 1.336) 26.324 7.503 ( 11.403 7.547 -1.822) 13.795 7.657 ( -1.257 21.927 -0.682) 21.974 7.899 ( 3.853 11.521 -0.701) 12.168 7.957 ( -1.857 21.788 0.099) 21.867 8.212 ( -8.351 4.380 1.299) 9.519 8.377 ( -12.711 -0.818 -4.242) 13.425 8.530 ( -9.482 2.031 1.770) 9.857 8.661 ( -3.421 -0.379 4.065) 5.326 8.805 ( -7.112 6.406 -2.957) 10.019 8.954 ( -5.826 4.576 1.034) 7.480 9.156 ( -6.105 -2.017 -0.008) 6.429 9.306 ( -14.744 -4.455 -1.949) 15.525 20.348 ( 1.158 0.707 -1.514) 2.033 20.403 ( -0.635 3.655 0.442) 3.736 20.484 ( 0.430 4.297 -0.180) 4.322 20.551 ( -1.305 0.810 -1.440) 2.105 20.578 ( 0.362 4.111 2.482) 4.816 20.643 ( -1.097 1.452 2.686) 3.245 20.717 ( 1.759 -4.738 -2.106) 5.475 20.803 ( -0.838 -5.164 -0.973) 5.321 24.665 ( 14.031 -0.301 0.047) 14.034 24.725 ( 14.352 -3.022 -1.019) 14.702 25.463 ( -9.798 -0.200 0.052) 9.800 25.497 ( -9.753 -1.065 -0.449) 9.821 32.445 ( 0.640 -3.742 0.592) 3.843 32.481 ( -0.576 -3.334 0.398) 3.407 32.531 ( 0.043 -4.679 -0.494) 4.705 32.541 ( -0.577 -4.310 -0.361) 4.363 43.423 ( 17.812 14.636 1.387) 23.096 43.736 ( 15.896 8.256 -2.510) 18.087 44.151 ( 5.286 3.582 4.256) 7.674 44.546 ( -6.129 8.322 -9.805) 14.246 44.666 ( 8.894 -6.410 0.425) 10.971 45.021 ( -8.279 7.425 -5.367) 12.348 45.626 ( -34.921 11.655 15.359) 39.890 46.086 ( -22.308 -17.576 3.439) 28.607 ======================= Grid point 130 (50/120) ======================= q-point: ( 0.44 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 6.601 5.804 -5.588) 10.416 2.164 ( 2.337 5.793 -5.247) 8.158 2.301 ( 2.286 1.546 -7.411) 7.908 2.389 ( -4.397 1.907 -4.156) 6.343 2.533 ( -0.789 8.338 -1.471) 8.503 2.571 ( -3.872 6.602 -5.895) 9.661 2.810 ( 2.713 3.859 -6.344) 7.905 2.866 ( -2.663 5.283 -5.704) 8.218 3.257 ( 5.563 6.043 4.147) 9.201 3.363 ( -4.420 -0.855 1.667) 4.800 3.462 ( 6.833 -4.619 3.981) 9.158 3.612 ( -7.508 -4.762 1.237) 8.977 4.731 ( 1.995 22.980 0.087) 23.066 4.759 ( -0.753 21.817 0.702) 21.841 5.718 ( 2.131 4.881 8.325) 9.883 5.747 ( -0.543 4.516 9.117) 10.188 6.075 ( 2.661 -5.306 -0.655) 5.972 6.095 ( 1.143 -5.402 -0.657) 5.560 6.575 ( 2.914 -9.657 -0.115) 10.088 6.616 ( -1.078 -10.172 0.255) 10.232 6.930 ( 21.398 8.777 1.546) 23.180 7.205 ( -3.035 19.340 1.321) 19.622 7.330 ( 8.863 15.320 4.976) 18.385 7.527 ( -1.396 7.965 -2.160) 8.370 7.623 ( 8.909 4.624 -2.731) 10.402 7.768 ( 11.521 6.677 -3.478) 13.762 7.856 ( -6.264 14.255 -3.199) 15.896 7.924 ( 1.736 21.523 1.101) 21.621 8.049 ( -13.844 4.046 -2.202) 14.591 8.085 ( -9.756 5.746 0.681) 11.343 8.415 ( 1.549 0.618 -0.267) 1.688 8.553 ( -8.618 -0.555 0.696) 8.663 8.792 ( 6.249 4.017 -0.649) 7.457 8.920 ( 1.657 1.619 -0.009) 2.316 9.007 ( -10.906 -4.123 -0.154) 11.661 9.037 ( -7.510 -0.612 0.247) 7.539 20.370 ( 1.009 1.931 -1.034) 2.411 20.389 ( -0.795 2.835 -0.391) 2.971 20.498 ( 0.996 2.945 -0.733) 3.194 20.523 ( -1.374 1.650 -1.205) 2.462 20.593 ( 1.073 3.382 2.729) 4.476 20.618 ( -1.287 2.418 2.709) 3.852 20.752 ( 1.646 -4.873 -1.680) 5.411 20.782 ( -1.254 -4.972 -1.268) 5.282 24.956 ( 14.377 -0.257 0.031) 14.379 25.012 ( 13.745 -2.508 -0.897) 14.001 25.234 ( -12.700 -0.259 0.026) 12.703 25.275 ( -12.089 -1.688 -0.622) 12.222 32.458 ( 0.587 -3.681 0.468) 3.757 32.469 ( -0.559 -3.541 0.388) 3.606 32.532 ( 0.046 -4.479 -0.444) 4.501 32.534 ( -0.194 -4.348 -0.382) 4.369 43.802 ( 18.371 15.790 -1.572) 24.275 44.025 ( 5.634 11.045 -5.600) 13.605 44.206 ( 2.606 13.061 -0.643) 13.334 44.399 ( -8.626 10.661 -7.731) 15.743 44.684 ( 2.747 1.761 7.353) 8.045 44.999 ( -25.480 8.167 15.889) 31.118 45.183 ( 19.094 -11.928 -0.984) 22.535 45.621 ( -23.020 -15.595 0.674) 27.813 ======================= Grid point 135 (51/120) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.000 16.097 5.901) 17.145 2.067 ( 0.000 12.870 -8.186) 15.253 2.286 ( 0.000 -4.776 1.901) 5.140 2.514 ( 0.000 2.523 -3.740) 4.512 2.515 ( 0.000 -0.680 -7.735) 7.765 2.725 ( 0.000 -7.958 -5.230) 9.523 2.965 ( 0.000 3.059 -4.330) 5.301 3.027 ( 0.000 0.299 -3.325) 3.338 3.055 ( 0.000 1.278 -1.915) 2.302 3.327 ( 0.000 -10.679 -3.050) 11.106 3.569 ( 0.000 16.671 4.148) 17.180 3.887 ( 0.000 -1.488 -2.727) 3.107 4.960 ( 0.000 17.591 -7.199) 19.007 5.011 ( 0.000 14.610 -3.341) 14.987 5.443 ( 0.000 -5.494 0.411) 5.509 5.469 ( 0.000 1.389 -0.337) 1.430 5.483 ( 0.000 -5.325 0.983) 5.415 5.490 ( 0.000 -0.299 2.869) 2.884 5.885 ( 0.000 4.335 6.583) 7.882 6.023 ( 0.000 4.259 14.009) 14.642 6.308 ( 0.000 -12.767 -1.490) 12.853 6.494 ( 0.000 -14.624 2.094) 14.773 7.094 ( 0.000 6.516 -10.471) 12.333 7.215 ( 0.000 -0.477 -11.215) 11.225 7.743 ( 0.000 10.133 10.204) 14.380 7.969 ( 0.000 0.371 6.412) 6.423 7.994 ( 0.000 21.531 1.927) 21.617 8.230 ( 0.000 7.991 -0.152) 7.992 8.416 ( 0.000 11.900 2.196) 12.101 8.657 ( 0.000 -2.867 2.025) 3.511 9.017 ( 0.000 3.678 0.002) 3.678 9.090 ( 0.000 -0.356 -0.108) 0.372 9.306 ( 0.000 6.896 -2.777) 7.434 9.382 ( 0.000 3.865 -5.879) 7.036 9.439 ( 0.000 5.463 2.667) 6.079 9.711 ( 0.000 -6.149 -1.738) 6.390 20.308 ( 0.000 1.063 -4.314) 4.443 20.435 ( 0.000 -4.688 -4.425) 6.447 20.545 ( 0.000 2.315 0.422) 2.353 20.588 ( 0.000 1.961 1.963) 2.775 20.629 ( 0.000 1.744 1.960) 2.624 20.675 ( 0.000 1.396 0.194) 1.409 20.711 ( 0.000 1.440 3.523) 3.806 20.729 ( 0.000 -3.080 0.512) 3.122 24.139 ( 0.000 0.071 0.073) 0.102 24.149 ( 0.000 -0.386 -0.064) 0.391 25.766 ( 0.000 0.238 0.089) 0.254 25.785 ( 0.000 -0.667 -0.180) 0.691 32.365 ( 0.000 -1.235 0.704) 1.422 32.431 ( 0.000 -3.984 -0.138) 3.987 32.455 ( 0.000 -1.421 0.379) 1.470 32.501 ( 0.000 -3.566 -0.323) 3.581 43.046 ( 0.000 8.612 3.134) 9.165 43.237 ( 0.000 -0.304 1.436) 1.468 43.909 ( 0.000 -0.699 2.317) 2.420 44.013 ( 0.000 -5.355 2.558) 5.934 45.085 ( 0.000 14.297 -12.297) 18.858 45.685 ( 0.000 -5.584 -23.757) 24.404 46.672 ( 0.000 1.366 19.424) 19.472 47.081 ( 0.000 -10.099 7.979) 12.871 ======================= Grid point 136 (52/120) ======================= q-point: ( 0.11 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 6.854 14.135 3.863) 16.177 2.097 ( 2.790 11.514 -7.931) 14.257 2.294 ( 0.609 -3.047 0.543) 3.154 2.501 ( -0.034 2.276 -5.566) 6.014 2.559 ( 2.884 -0.197 -5.884) 6.556 2.716 ( -0.764 -7.304 -5.777) 9.343 2.929 ( -3.154 3.312 -4.774) 6.611 3.040 ( -0.770 3.243 -1.385) 3.610 3.047 ( 1.559 -2.222 -1.959) 3.347 3.324 ( -0.481 -10.056 -2.024) 10.269 3.558 ( -1.065 15.921 4.304) 16.527 3.874 ( -1.532 -1.683 -2.113) 3.105 4.996 ( 3.249 18.136 -6.960) 19.696 5.039 ( 2.411 15.388 -2.781) 15.823 5.467 ( 4.240 -4.064 0.679) 5.912 5.518 ( 6.299 -3.553 0.657) 7.262 5.595 ( 8.948 -0.753 2.850) 9.421 5.625 ( 10.287 -0.166 1.547) 10.404 5.893 ( 0.796 4.459 6.060) 7.566 6.083 ( 6.749 0.904 10.196) 12.260 6.309 ( 0.207 -12.426 -0.716) 12.449 6.493 ( 0.118 -14.346 2.448) 14.553 7.121 ( 2.687 6.219 -10.000) 12.079 7.237 ( 2.314 -0.132 -10.482) 10.735 7.763 ( 1.813 10.522 9.372) 14.207 7.969 ( 0.134 6.048 5.528) 8.194 8.018 ( 2.190 15.813 2.201) 16.115 8.241 ( 1.040 6.532 0.070) 6.614 8.405 ( -1.033 12.062 2.230) 12.310 8.641 ( -1.648 -2.513 1.693) 3.450 8.951 ( -6.418 3.755 0.136) 7.437 9.026 ( -6.249 -0.250 0.430) 6.268 9.261 ( -4.370 7.599 -2.993) 9.263 9.345 ( -3.659 4.360 -5.249) 7.743 9.395 ( -4.051 4.664 2.190) 6.555 9.649 ( -6.074 -5.951 -1.629) 8.658 20.314 ( 0.575 1.059 -4.127) 4.299 20.437 ( 0.211 -4.182 -4.241) 5.960 20.540 ( -0.478 1.486 0.013) 1.561 20.576 ( -0.923 1.522 1.273) 2.188 20.638 ( 0.647 2.220 2.309) 3.268 20.677 ( 0.121 1.528 0.454) 1.599 20.706 ( -0.440 1.497 3.317) 3.666 20.730 ( 0.110 -2.745 0.768) 2.852 24.212 ( 6.965 -0.285 -0.019) 6.970 24.215 ( 6.466 -0.344 -0.052) 6.475 25.732 ( -3.376 0.234 0.082) 3.385 25.752 ( -3.367 -0.676 -0.190) 3.440 32.369 ( 0.345 -1.255 0.685) 1.471 32.433 ( 0.179 -3.917 -0.144) 3.924 32.451 ( -0.328 -1.470 0.367) 1.550 32.493 ( -0.670 -3.418 -0.280) 3.494 43.122 ( 7.427 8.848 2.985) 11.931 43.310 ( 7.191 0.041 1.299) 7.307 43.943 ( 3.389 -0.186 2.445) 4.183 44.068 ( 5.442 -5.902 2.251) 8.338 45.043 ( -4.093 13.811 -12.070) 18.793 45.617 ( -6.670 -4.829 -22.742) 24.187 46.559 ( -10.921 0.262 18.545) 21.524 46.899 ( -17.429 -7.360 8.589) 20.778 ======================= Grid point 137 (53/120) ======================= q-point: ( 0.22 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 8.555 10.103 -0.280) 13.242 2.167 ( 3.716 7.471 -7.415) 11.162 2.305 ( 0.470 1.050 -2.935) 3.152 2.503 ( -0.185 2.356 -4.841) 5.387 2.620 ( 2.673 -0.124 -4.355) 5.111 2.704 ( 0.140 -5.433 -9.825) 11.228 2.858 ( -3.390 5.096 -4.238) 7.445 3.013 ( -1.530 1.957 -1.624) 2.968 3.110 ( 4.254 -2.719 1.320) 5.218 3.305 ( -1.124 -7.765 -0.221) 7.849 3.525 ( -2.186 13.006 5.108) 14.143 3.814 ( -4.538 -2.199 -0.343) 5.054 5.077 ( 4.287 20.266 -6.143) 21.606 5.096 ( 3.072 16.335 -1.566) 16.695 5.591 ( 7.285 -3.599 -0.755) 8.160 5.695 ( 9.551 -8.117 1.303) 12.602 5.751 ( 4.948 4.855 6.736) 9.666 5.886 ( 8.230 1.624 5.106) 9.821 5.956 ( 12.976 2.818 3.803) 13.813 6.279 ( 6.233 -8.978 -2.546) 11.222 6.351 ( 7.949 -7.926 2.990) 11.617 6.533 ( 6.759 -13.076 3.686) 15.174 7.209 ( 6.283 5.790 -8.459) 12.023 7.319 ( 6.157 0.613 -8.599) 10.594 7.803 ( 1.516 12.113 7.460) 14.307 7.972 ( -0.087 7.148 4.998) 8.722 8.076 ( 3.450 13.634 1.141) 14.110 8.267 ( 1.164 2.922 0.410) 3.172 8.375 ( -1.961 12.023 2.274) 12.392 8.585 ( -4.475 -1.526 -0.258) 4.735 8.768 ( -10.813 3.645 1.074) 11.461 8.846 ( -11.132 0.002 1.688) 11.259 9.136 ( -7.747 8.893 -3.078) 12.189 9.233 ( -7.058 5.571 -1.863) 9.182 9.295 ( -5.507 3.214 -0.799) 6.426 9.475 ( -10.641 -4.947 -1.191) 11.795 20.331 ( 1.153 1.048 -3.667) 3.985 20.441 ( 0.160 -2.524 -3.630) 4.424 20.526 ( -0.769 -0.618 -0.998) 1.404 20.557 ( -0.973 0.857 -0.058) 1.298 20.649 ( 0.428 2.853 2.787) 4.011 20.681 ( 0.387 1.573 0.912) 1.859 20.696 ( -0.499 1.781 3.055) 3.572 20.732 ( 0.071 -2.113 1.176) 2.419 24.398 ( 11.396 -0.197 -0.018) 11.397 24.410 ( 12.026 -0.999 -0.211) 12.070 25.630 ( -6.712 0.188 0.055) 6.714 25.649 ( -6.772 -0.696 -0.212) 6.811 32.378 ( 0.565 -1.307 0.633) 1.558 32.437 ( 0.176 -3.475 -0.134) 3.482 32.442 ( -0.471 -1.824 0.328) 1.912 32.477 ( -0.823 -3.152 -0.194) 3.264 43.343 ( 14.256 9.503 2.376) 17.297 43.523 ( 13.708 1.055 0.685) 13.766 44.046 ( 6.829 1.246 2.943) 7.540 44.229 ( 10.342 -7.340 1.635) 12.787 44.924 ( -7.522 12.448 -11.454) 18.513 45.422 ( -12.341 -2.725 -19.660) 23.371 46.248 ( -19.260 -2.768 15.957) 25.164 46.418 ( -28.838 -1.502 9.857) 30.513 ======================= Grid point 138 (54/120) ======================= q-point: ( 0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 7.694 6.040 -2.952) 10.218 2.233 ( 2.789 2.980 -7.144) 8.228 2.312 ( 0.056 4.067 -6.300) 7.499 2.477 ( -2.617 0.478 -4.105) 4.892 2.656 ( 1.273 2.121 -2.338) 3.404 2.724 ( 0.636 0.001 -13.802) 13.817 2.816 ( 0.058 4.821 -5.387) 7.230 2.978 ( -2.110 0.840 -4.214) 4.787 3.212 ( 5.526 -3.403 3.993) 7.620 3.297 ( 0.901 -3.908 3.102) 5.070 3.470 ( -3.196 8.187 6.178) 10.743 3.692 ( -7.344 -2.723 2.243) 8.147 5.147 ( 2.749 20.356 -3.126) 20.777 5.165 ( 3.118 19.531 -2.576) 19.945 5.728 ( 5.623 -3.632 -1.232) 6.806 5.813 ( 1.805 4.579 5.484) 7.369 5.863 ( 6.296 -7.499 0.909) 9.834 5.952 ( 2.208 2.189 6.740) 7.423 6.263 ( 7.060 -10.240 4.818) 13.338 6.348 ( 3.098 -12.137 0.806) 12.552 6.577 ( 19.427 2.853 -0.958) 19.659 6.877 ( 22.989 -9.230 0.120) 24.773 7.384 ( 11.038 6.005 -5.992) 13.921 7.496 ( 10.975 1.512 -6.262) 12.726 7.796 ( -2.782 12.196 5.978) 13.864 7.942 ( -3.905 6.365 4.431) 8.683 8.147 ( 2.456 10.329 0.027) 10.617 8.270 ( -1.222 2.282 -0.057) 2.589 8.319 ( -3.748 9.908 1.071) 10.647 8.397 ( -13.546 2.625 -3.522) 14.240 8.578 ( -9.687 1.801 1.308) 9.939 8.628 ( -6.895 -2.091 4.580) 8.537 8.975 ( -6.875 9.711 -2.983) 12.266 9.090 ( -6.325 5.995 0.543) 8.732 9.170 ( -6.977 3.058 -2.349) 7.972 9.248 ( -10.610 -1.383 0.102) 10.700 20.360 ( 1.591 1.068 -3.122) 3.664 20.440 ( -0.374 -0.017 -2.667) 2.693 20.512 ( -0.497 -2.772 -2.280) 3.624 20.537 ( -0.941 -0.168 -1.393) 1.690 20.656 ( 0.364 3.271 3.135) 4.545 20.685 ( -0.445 1.850 2.461) 3.111 20.694 ( 0.655 1.416 1.755) 2.348 20.731 ( -0.195 -1.415 1.459) 2.042 24.661 ( 14.099 -0.089 -0.008) 14.100 24.681 ( 14.314 -1.371 -0.333) 14.384 25.461 ( -9.932 0.073 0.008) 9.932 25.478 ( -10.009 -0.753 -0.237) 10.040 32.390 ( 0.625 -1.376 0.555) 1.610 32.429 ( -0.659 -1.541 0.330) 1.708 32.444 ( 0.266 -3.559 -0.132) 3.571 32.463 ( -0.558 -3.048 -0.140) 3.102 43.687 ( 19.196 10.368 0.636) 21.826 43.851 ( 18.143 2.631 -1.294) 18.379 44.219 ( 10.189 3.583 4.454) 11.684 44.477 ( 13.510 -8.935 1.360) 16.254 44.749 ( -9.275 10.544 -10.465) 17.514 45.135 ( -15.071 -0.345 -14.150) 20.676 45.784 ( -32.516 3.451 10.865) 34.457 45.809 ( -23.223 -6.839 11.742) 26.906 ======================= Grid point 139 (55/120) ======================= q-point: ( 0.44 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 4.942 3.471 -3.859) 7.166 2.279 ( 0.019 4.426 -7.612) 8.805 2.312 ( 2.082 0.016 -5.578) 5.954 2.400 ( -4.740 -0.619 -5.139) 7.019 2.685 ( 1.611 6.433 -4.780) 8.175 2.714 ( -1.123 6.607 -9.032) 11.247 2.856 ( 3.059 0.413 -9.974) 10.441 2.922 ( -3.245 -0.151 -8.377) 8.985 3.311 ( 3.960 -0.779 4.803) 6.274 3.360 ( 3.481 -0.146 6.890) 7.720 3.408 ( -0.881 0.899 6.178) 6.305 3.531 ( -8.132 -3.158 5.004) 10.057 5.192 ( 1.563 20.946 -2.222) 21.121 5.203 ( 0.620 21.052 -2.185) 21.174 5.810 ( 2.486 -2.107 -0.411) 3.285 5.833 ( 0.103 1.622 3.078) 3.481 5.948 ( 2.498 -4.228 1.284) 5.076 5.974 ( -0.129 -0.954 4.431) 4.535 6.336 ( 2.287 -12.614 4.139) 13.471 6.367 ( -0.630 -13.175 3.450) 13.633 7.077 ( 25.719 6.512 -0.072) 26.531 7.337 ( 19.747 -3.597 -1.000) 20.097 7.531 ( -11.601 6.069 0.186) 13.094 7.627 ( 3.888 5.126 -3.168) 7.171 7.767 ( -0.500 3.981 1.607) 4.322 7.879 ( 9.512 3.104 0.947) 10.051 8.006 ( -14.825 4.738 -2.797) 15.813 8.161 ( -11.598 3.276 -2.878) 12.391 8.247 ( 0.152 7.130 1.858) 7.370 8.275 ( -1.759 9.776 1.501) 10.046 8.435 ( 0.013 0.718 -0.161) 0.736 8.522 ( -5.633 -2.986 1.283) 6.503 8.912 ( 1.035 8.618 -1.951) 8.896 8.989 ( -4.991 3.602 1.932) 6.451 9.042 ( -2.375 6.328 -1.455) 6.914 9.088 ( -5.383 3.548 0.962) 6.519 20.393 ( 1.674 1.203 -2.596) 3.315 20.424 ( -1.231 1.276 -2.243) 2.859 20.510 ( 0.222 -2.967 -2.848) 4.119 20.520 ( -0.732 -1.558 -2.367) 2.927 20.665 ( 0.473 3.169 3.145) 4.490 20.675 ( -0.523 2.646 2.932) 3.984 20.709 ( 0.793 0.286 1.593) 1.803 20.723 ( -0.570 -0.646 1.577) 1.797 24.953 ( 14.404 -0.043 -0.022) 14.404 24.973 ( 14.266 -1.266 -0.342) 14.326 25.230 ( -12.747 -0.025 -0.022) 12.747 25.248 ( -12.639 -0.959 -0.281) 12.678 32.403 ( 0.608 -1.442 0.470) 1.634 32.415 ( -0.627 -1.496 0.394) 1.669 32.449 ( 0.252 -3.340 -0.142) 3.352 32.454 ( -0.322 -3.144 -0.133) 3.163 44.081 ( 18.038 10.873 -3.427) 21.339 44.208 ( 13.807 6.244 -5.001) 15.957 44.391 ( 1.832 5.684 -0.848) 6.032 44.572 ( -8.563 3.678 -6.405) 11.308 44.711 ( 9.885 2.184 3.445) 10.694 44.981 ( 8.592 -7.312 -1.527) 11.385 45.150 ( -28.809 5.427 10.968) 31.300 45.342 ( -22.068 -10.018 6.299) 25.041 ======================= Grid point 144 (56/120) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.989 ( 0.000 -12.937 2.632) 13.202 1.989 ( 0.000 12.937 2.632) 13.202 2.423 ( 0.000 -9.821 -8.742) 13.148 2.423 ( 0.000 9.821 -8.742) 13.148 2.577 ( 0.000 -4.291 -3.101) 5.295 2.577 ( 0.000 4.291 -3.101) 5.295 3.014 ( 0.000 -1.472 -4.770) 4.992 3.014 ( 0.000 1.472 -4.770) 4.992 3.139 ( 0.000 -6.978 -2.100) 7.287 3.139 ( 0.000 6.978 -2.100) 7.287 3.808 ( 0.000 -6.992 1.463) 7.143 3.808 ( 0.000 6.992 1.463) 7.143 5.261 ( 0.000 -9.268 -3.705) 9.981 5.261 ( 0.000 9.268 -3.705) 9.981 5.298 ( 0.000 -9.813 -0.638) 9.834 5.298 ( 0.000 9.813 -0.638) 9.834 5.489 ( 0.000 -0.394 0.852) 0.939 5.489 ( 0.000 0.394 0.852) 0.939 6.049 ( 0.000 -11.112 4.175) 11.870 6.049 ( 0.000 11.112 4.175) 11.870 6.204 ( 0.000 -12.457 6.067) 13.856 6.204 ( 0.000 12.457 6.067) 13.856 7.187 ( 0.000 -2.604 -12.202) 12.477 7.187 ( 0.000 2.604 -12.202) 12.477 7.896 ( 0.000 -5.556 9.709) 11.186 7.896 ( 0.000 5.556 9.709) 11.186 8.279 ( 0.000 -5.277 -0.045) 5.277 8.279 ( 0.000 5.277 -0.045) 5.277 8.580 ( 0.000 -4.936 3.965) 6.332 8.580 ( 0.000 4.936 3.965) 6.332 9.076 ( 0.000 -1.621 -0.260) 1.642 9.076 ( 0.000 1.621 -0.260) 1.642 9.407 ( 0.000 -1.975 -3.970) 4.434 9.407 ( 0.000 1.975 -3.970) 4.434 9.573 ( 0.000 -7.004 -0.389) 7.015 9.573 ( 0.000 7.004 -0.389) 7.015 20.350 ( 0.000 -3.083 -4.936) 5.820 20.350 ( 0.000 3.083 -4.936) 5.820 20.582 ( 0.000 -1.653 -0.328) 1.685 20.582 ( 0.000 1.653 -0.328) 1.685 20.668 ( 0.000 -1.546 2.685) 3.098 20.668 ( 0.000 1.546 2.685) 3.098 20.721 ( 0.000 -0.523 2.440) 2.495 20.721 ( 0.000 0.523 2.440) 2.495 24.143 ( 0.000 -0.242 0.005) 0.242 24.143 ( 0.000 0.242 0.005) 0.242 25.774 ( 0.000 -0.471 -0.039) 0.473 25.774 ( 0.000 0.471 -0.039) 0.473 32.370 ( 0.000 -1.697 0.369) 1.737 32.370 ( 0.000 1.697 0.369) 1.737 32.451 ( 0.000 -1.140 -0.003) 1.140 32.451 ( 0.000 1.140 -0.003) 1.140 43.185 ( 0.000 -4.665 2.486) 5.286 43.185 ( 0.000 4.665 2.486) 5.286 43.928 ( 0.000 -2.611 2.578) 3.670 43.928 ( 0.000 2.611 2.578) 3.670 45.414 ( 0.000 -16.659 -18.046) 24.560 45.414 ( 0.000 16.659 -18.046) 24.560 46.848 ( 0.000 -11.823 13.233) 17.746 46.848 ( 0.000 11.823 13.233) 17.746 ======================= Grid point 146 (57/120) ======================= q-point: ( 0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 3.450 -11.264 1.371) 11.860 2.027 ( 3.450 11.264 1.371) 11.860 2.441 ( 1.491 -9.638 -9.172) 13.387 2.441 ( 1.491 9.638 -9.172) 13.387 2.585 ( 0.892 -3.424 -3.198) 4.769 2.585 ( 0.892 3.424 -3.198) 4.769 2.995 ( -1.440 -2.844 -4.555) 5.560 2.995 ( -1.440 2.844 -4.555) 5.560 3.142 ( 0.163 -6.934 -0.973) 7.004 3.142 ( 0.163 6.934 -0.973) 7.004 3.792 ( -1.732 -7.015 1.811) 7.449 3.792 ( -1.732 7.015 1.811) 7.449 5.299 ( 3.143 -10.600 -2.662) 11.372 5.299 ( 3.143 10.600 -2.662) 11.372 5.342 ( 4.911 -11.458 -1.772) 12.591 5.342 ( 4.911 11.458 -1.772) 12.591 5.613 ( 11.281 -1.141 0.678) 11.359 5.613 ( 11.281 1.141 0.678) 11.359 6.056 ( 0.856 -10.760 4.342) 11.635 6.056 ( 0.856 10.760 4.342) 11.635 6.215 ( 1.434 -11.241 5.679) 12.676 6.215 ( 1.434 11.241 5.679) 12.676 7.212 ( 2.568 -2.611 -11.446) 12.017 7.212 ( 2.568 2.611 -11.446) 12.017 7.916 ( 1.873 -5.399 9.198) 10.829 7.916 ( 1.873 5.399 9.198) 10.829 8.281 ( 0.107 -5.053 -0.044) 5.055 8.281 ( 0.107 5.053 -0.044) 5.055 8.568 ( -1.202 -4.775 3.755) 6.192 8.568 ( -1.202 4.775 3.755) 6.192 9.012 ( -6.234 -1.707 -0.007) 6.463 9.012 ( -6.234 1.707 -0.007) 6.463 9.374 ( -3.224 -2.202 -4.136) 5.688 9.374 ( -3.224 2.202 -4.136) 5.688 9.517 ( -5.415 -6.626 -0.188) 8.559 9.517 ( -5.415 6.626 -0.188) 8.559 20.356 ( 0.567 -3.066 -4.798) 5.722 20.356 ( 0.567 3.066 -4.798) 5.722 20.569 ( -1.144 -1.508 -0.544) 1.969 20.569 ( -1.144 1.508 -0.544) 1.969 20.676 ( 0.675 -1.283 2.759) 3.117 20.676 ( 0.675 1.283 2.759) 3.117 20.720 ( -0.077 -0.411 2.410) 2.446 20.720 ( -0.077 0.411 2.410) 2.446 24.211 ( 6.583 -0.105 -0.013) 6.584 24.211 ( 6.583 0.105 -0.013) 6.584 25.739 ( -3.379 -0.478 -0.045) 3.413 25.739 ( -3.379 0.478 -0.045) 3.413 32.373 ( 0.283 -1.655 0.355) 1.717 32.373 ( 0.283 1.655 0.355) 1.717 32.446 ( -0.448 -1.046 0.016) 1.138 32.446 ( -0.448 1.046 0.016) 1.138 43.263 ( 7.608 -4.608 2.351) 9.200 43.263 ( 7.608 4.608 2.351) 9.200 43.973 ( 4.391 -3.124 2.470) 5.928 43.973 ( 4.391 3.124 2.470) 5.928 45.360 ( -5.204 -16.033 -17.586) 24.360 45.360 ( -5.204 16.033 -17.586) 24.360 46.708 ( -13.522 -10.273 13.159) 21.484 46.708 ( -13.522 10.273 13.159) 21.484 ======================= Grid point 148 (58/120) ======================= q-point: ( 0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 4.264 -7.642 -1.225) 8.836 2.109 ( 4.264 7.642 -1.225) 8.836 2.463 ( 0.087 -7.830 -9.316) 12.170 2.463 ( 0.087 7.830 -9.316) 12.170 2.620 ( 2.732 -1.143 -4.946) 5.765 2.620 ( 2.732 1.143 -4.946) 5.766 2.968 ( -1.370 -4.994 -4.137) 6.628 2.968 ( -1.370 4.994 -4.137) 6.628 3.152 ( 1.223 -5.833 1.602) 6.172 3.152 ( 1.223 5.833 1.602) 6.172 3.731 ( -4.391 -6.562 2.974) 8.437 3.731 ( -4.391 6.562 2.974) 8.437 5.375 ( 4.354 -5.363 -2.584) 7.376 5.375 ( 4.354 5.363 -2.584) 7.376 5.483 ( 7.799 -7.418 -3.291) 11.256 5.483 ( 7.799 7.418 -3.291) 11.256 5.868 ( 10.953 -4.406 3.712) 12.376 5.868 ( 10.953 4.406 3.712) 12.376 6.087 ( 1.999 -8.594 4.572) 9.938 6.087 ( 1.999 8.594 4.572) 9.938 6.313 ( 10.867 -5.695 2.761) 12.575 6.313 ( 10.867 5.695 2.761) 12.575 7.299 ( 6.373 -2.687 -9.360) 11.638 7.299 ( 6.373 2.687 -9.360) 11.638 7.960 ( 1.938 -4.770 7.864) 9.400 7.960 ( 1.938 4.770 7.864) 9.400 8.282 ( -0.045 -4.067 0.083) 4.068 8.282 ( -0.045 4.067 0.083) 4.068 8.527 ( -3.081 -4.173 2.516) 5.765 8.527 ( -3.081 4.173 2.516) 5.765 8.831 ( -11.220 -1.993 0.860) 11.428 8.831 ( -11.220 1.993 0.860) 11.428 9.278 ( -6.243 -2.794 -4.286) 8.072 9.278 ( -6.243 2.794 -4.286) 8.072 9.372 ( -8.092 -4.651 0.366) 9.341 9.372 ( -8.092 4.651 0.366) 9.341 20.373 ( 1.099 -2.965 -4.432) 5.444 20.373 ( 1.099 2.965 -4.432) 5.444 20.541 ( -1.589 -1.495 -1.150) 2.466 20.541 ( -1.589 1.495 -1.150) 2.466 20.690 ( 0.643 -0.967 2.930) 3.152 20.690 ( 0.643 0.967 2.930) 3.152 20.719 ( -0.050 -0.342 2.394) 2.419 20.719 ( -0.050 0.342 2.394) 2.419 24.398 ( 11.593 -0.215 -0.053) 11.595 24.398 ( 11.593 0.215 -0.053) 11.595 25.637 ( -6.769 -0.469 -0.063) 6.786 25.637 ( -6.769 0.469 -0.063) 6.786 32.381 ( 0.457 -1.541 0.319) 1.639 32.381 ( 0.457 1.541 0.319) 1.639 32.435 ( -0.651 -0.885 0.064) 1.100 32.435 ( -0.651 0.885 0.064) 1.100 43.489 ( 14.539 -4.416 1.755) 15.296 43.489 ( 14.539 4.416 1.755) 15.296 44.105 ( 8.586 -4.492 2.367) 9.975 44.105 ( 8.586 4.492 2.367) 9.975 45.209 ( -9.570 -14.228 -16.250) 23.624 45.209 ( -9.570 14.228 -16.250) 23.624 46.325 ( -23.608 -6.419 12.844) 27.631 46.325 ( -23.608 6.419 12.844) 27.631 ======================= Grid point 150 (59/120) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 4.138 -4.075 -3.340) 6.700 2.194 ( 4.138 4.075 -3.340) 6.700 2.436 ( -2.640 -4.706 -7.720) 9.419 2.436 ( -2.640 4.706 -7.720) 9.419 2.695 ( 4.420 -1.894 -8.634) 9.882 2.695 ( 4.420 1.894 -8.634) 9.882 2.931 ( -2.418 -5.056 -5.957) 8.179 2.931 ( -2.418 5.056 -5.957) 8.179 3.207 ( 4.336 -3.064 5.237) 7.457 3.207 ( 4.336 3.064 5.237) 7.457 3.616 ( -6.749 -5.161 4.851) 9.783 3.616 ( -6.749 5.161 4.851) 9.783 5.471 ( 4.900 -5.949 -3.256) 8.366 5.471 ( 4.900 5.949 -3.256) 8.366 5.607 ( 3.656 -8.271 -4.838) 10.256 5.607 ( 3.656 8.271 -4.838) 10.256 6.008 ( 4.339 -7.520 7.628) 11.557 6.008 ( 4.339 7.520 7.628) 11.557 6.117 ( 0.773 -6.715 5.579) 8.765 6.117 ( 0.773 6.715 5.579) 8.765 6.694 ( 24.470 -7.743 -1.092) 25.689 6.694 ( 24.470 7.743 -1.092) 25.689 7.480 ( 11.418 -2.865 -6.615) 13.504 7.480 ( 11.418 2.865 -6.615) 13.504 7.953 ( -4.104 -3.966 6.132) 8.377 7.953 ( -4.104 3.966 6.132) 8.377 8.276 ( -0.993 -2.527 0.376) 2.741 8.276 ( -0.993 2.527 0.376) 2.741 8.425 ( -7.238 -1.727 -1.667) 7.625 8.425 ( -7.238 1.727 -1.667) 7.625 8.596 ( -10.398 -0.960 3.694) 11.077 8.596 ( -10.398 0.960 3.694) 11.077 9.135 ( -6.643 -3.311 -2.693) 7.896 9.135 ( -6.643 3.311 -2.693) 7.896 9.221 ( -6.582 -1.346 0.046) 6.719 9.221 ( -6.582 1.346 0.046) 6.719 20.400 ( 1.522 -2.712 -3.935) 5.015 20.400 ( 1.522 2.712 -3.935) 5.015 20.506 ( -1.760 -1.665 -1.927) 3.095 20.506 ( -1.760 1.665 -1.927) 3.095 20.701 ( 0.463 -0.718 2.987) 3.107 20.701 ( 0.463 0.718 2.987) 3.107 20.718 ( -0.069 -0.547 2.524) 2.584 20.718 ( -0.069 0.547 2.524) 2.584 24.663 ( 14.194 -0.417 -0.092) 14.201 24.663 ( 14.194 0.417 -0.092) 14.201 25.466 ( -10.030 -0.423 -0.087) 10.040 25.466 ( -10.030 0.423 -0.087) 10.040 32.391 ( 0.495 -1.377 0.270) 1.488 32.391 ( 0.495 1.377 0.270) 1.488 32.422 ( -0.609 -0.868 0.118) 1.066 32.422 ( -0.609 0.868 0.118) 1.066 43.838 ( 19.416 -4.034 -0.144) 19.831 43.838 ( 19.416 4.034 -0.144) 19.831 44.317 ( 12.168 -6.198 2.990) 13.979 44.317 ( 12.168 6.198 2.990) 13.979 44.986 ( -11.909 -11.420 -13.882) 21.563 44.986 ( -11.909 11.420 -13.882) 21.563 45.790 ( -28.276 -1.798 12.047) 30.788 45.790 ( -28.276 1.798 12.047) 30.788 ======================= Grid point 152 (60/120) ======================= q-point: ( 0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 4.285 -2.036 -4.712) 6.687 2.279 ( 4.285 2.036 -4.712) 6.687 2.365 ( -4.078 -2.744 -6.026) 7.777 2.365 ( -4.078 2.744 -6.026) 7.777 2.787 ( 4.494 -2.318 -10.359) 11.528 2.787 ( 4.494 2.318 -10.359) 11.528 2.870 ( -3.573 -3.520 -8.978) 10.284 2.870 ( -3.573 3.520 -8.978) 10.284 3.321 ( 6.678 -1.888 7.335) 10.098 3.321 ( 6.678 1.888 7.335) 10.098 3.468 ( -7.580 -3.222 6.780) 10.668 3.468 ( -7.580 3.222 6.780) 10.668 5.564 ( 4.118 -7.268 -4.004) 9.264 5.564 ( 4.118 7.269 -4.004) 9.264 5.625 ( -1.510 -8.233 -4.753) 9.625 5.625 ( -1.510 8.233 -4.753) 9.625 6.079 ( 2.735 -7.862 7.183) 10.994 6.079 ( 2.735 7.862 7.183) 10.994 6.116 ( -0.925 -7.342 6.381) 9.771 6.116 ( -0.925 7.342 6.381) 9.771 7.215 ( 25.383 -6.779 -1.133) 26.297 7.215 ( 25.383 6.779 -1.133) 26.297 7.634 ( -9.586 -3.385 -2.407) 10.447 7.634 ( -9.586 3.385 -2.407) 10.447 7.853 ( 7.038 -3.928 1.392) 8.179 7.853 ( 7.038 3.928 1.392) 8.179 8.127 ( -13.712 -5.191 -1.740) 14.764 8.127 ( -13.712 5.191 -1.740) 14.764 8.362 ( 2.054 -3.074 0.746) 3.772 8.362 ( 2.054 3.074 0.746) 3.772 8.440 ( -5.470 -3.367 2.669) 6.955 8.440 ( -5.470 3.367 2.669) 6.955 9.060 ( -0.370 -1.743 -0.743) 1.930 9.060 ( -0.370 1.743 -0.743) 1.930 9.107 ( -4.449 -1.237 -0.124) 4.619 9.107 ( -4.449 1.237 -0.124) 4.619 20.433 ( 1.764 -2.335 -3.358) 4.455 20.433 ( 1.764 2.335 -3.358) 4.455 20.470 ( -1.825 -1.953 -2.690) 3.792 20.470 ( -1.825 1.953 -2.690) 3.792 20.709 ( 0.360 -0.627 2.901) 2.990 20.709 ( 0.360 0.627 2.901) 2.990 20.715 ( -0.223 -0.647 2.736) 2.821 20.715 ( -0.223 0.647 2.736) 2.821 24.956 ( 14.407 -0.442 -0.111) 14.414 24.956 ( 14.407 0.442 -0.111) 14.414 25.234 ( -12.781 -0.400 -0.107) 12.788 25.234 ( -12.781 0.400 -0.107) 12.788 32.401 ( 0.473 -1.190 0.218) 1.299 32.401 ( 0.473 1.190 0.218) 1.299 32.410 ( -0.504 -1.004 0.169) 1.136 32.410 ( -0.504 1.004 0.169) 1.136 44.238 ( 18.864 -3.740 -4.588) 19.771 44.238 ( 18.864 3.740 -4.588) 19.771 44.508 ( -1.658 -6.052 -2.073) 6.608 44.508 ( -1.658 6.052 -2.073) 6.608 44.834 ( 5.686 -7.447 -2.022) 9.585 44.834 ( 5.686 7.447 -2.022) 9.585 45.225 ( -26.231 -2.822 9.851) 28.161 45.225 ( -26.231 2.822 9.851) 28.161 ======================= Grid point 198 (61/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.590 ( 0.000 0.000 22.664) 22.664 1.108 ( 0.000 0.000 23.901) 23.901 1.700 ( 0.000 0.000 28.563) 28.563 1.776 ( 0.000 0.000 -26.745) 26.745 2.164 ( 0.000 0.000 -6.774) 6.774 2.541 ( 0.000 0.000 -1.963) 1.963 2.549 ( 0.000 0.000 -1.158) 1.158 2.853 ( 0.000 0.000 5.206) 5.206 2.954 ( 0.000 0.000 -4.380) 4.380 3.379 ( 0.000 0.000 7.422) 7.422 3.442 ( 0.000 0.000 8.021) 8.021 3.465 ( 0.000 0.000 -27.371) 27.371 3.809 ( 0.000 0.000 -9.636) 9.636 3.832 ( 0.000 0.000 -11.240) 11.240 5.485 ( 0.000 0.000 11.331) 11.331 5.581 ( 0.000 0.000 8.926) 8.926 5.599 ( 0.000 0.000 4.743) 4.743 5.637 ( 0.000 0.000 0.519) 0.519 5.823 ( 0.000 0.000 -2.478) 2.478 5.962 ( 0.000 0.000 -9.250) 9.250 6.219 ( 0.000 0.000 5.014) 5.014 6.226 ( 0.000 0.000 4.530) 4.530 6.350 ( 0.000 0.000 -0.253) 0.253 6.370 ( 0.000 0.000 19.346) 19.346 6.557 ( 0.000 0.000 -8.109) 8.109 6.819 ( 0.000 0.000 12.976) 12.976 7.294 ( 0.000 0.000 -5.517) 5.517 7.320 ( 0.000 0.000 -19.952) 19.952 8.641 ( 0.000 0.000 6.430) 6.430 8.736 ( 0.000 0.000 4.885) 4.885 8.918 ( 0.000 0.000 -3.390) 3.390 8.961 ( 0.000 0.000 -6.855) 6.855 9.010 ( 0.000 0.000 2.293) 2.293 9.248 ( 0.000 0.000 -5.615) 5.615 9.611 ( 0.000 0.000 7.586) 7.586 9.903 ( 0.000 0.000 -5.391) 5.391 20.064 ( 0.000 0.000 2.617) 2.617 20.180 ( 0.000 0.000 -2.272) 2.272 20.317 ( 0.000 0.000 2.606) 2.606 20.440 ( 0.000 0.000 -2.609) 2.609 20.597 ( 0.000 0.000 5.651) 5.651 20.877 ( 0.000 0.000 -6.261) 6.261 20.912 ( 0.000 0.000 2.652) 2.652 21.045 ( 0.000 0.000 -2.737) 2.737 24.151 ( 0.000 0.000 0.383) 0.383 24.169 ( 0.000 0.000 -0.372) 0.372 25.777 ( 0.000 0.000 0.672) 0.672 25.815 ( 0.000 0.000 -0.916) 0.916 32.647 ( 0.000 0.000 1.223) 1.223 32.688 ( 0.000 0.000 1.852) 1.852 32.713 ( 0.000 0.000 -1.524) 1.524 32.769 ( 0.000 0.000 -1.590) 1.590 42.486 ( 0.000 0.000 6.992) 6.992 42.821 ( 0.000 0.000 -7.109) 7.109 44.060 ( 0.000 0.000 2.928) 2.928 44.195 ( 0.000 0.000 -2.771) 2.771 44.454 ( 0.000 0.000 1.720) 1.720 44.505 ( 0.000 0.000 -0.426) 0.426 47.916 ( 0.000 0.000 3.253) 3.253 48.071 ( 0.000 0.000 -3.250) 3.250 ======================= Grid point 199 (62/120) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 10.088 0.000 18.209) 20.816 1.115 ( 1.995 0.000 22.205) 22.294 1.795 ( 1.876 0.000 -26.061) 26.128 1.827 ( 9.237 0.000 12.103) 15.225 2.200 ( 5.243 0.000 4.132) 6.675 2.490 ( -4.304 0.000 -0.226) 4.310 2.541 ( -1.487 0.000 -2.836) 3.202 2.757 ( -8.043 0.000 5.409) 9.692 2.940 ( -2.874 0.000 -5.404) 6.121 3.356 ( 0.381 0.000 -2.794) 2.820 3.485 ( 3.980 0.000 7.820) 8.775 3.543 ( 5.098 0.000 -16.109) 16.897 3.826 ( 1.449 0.000 -8.419) 8.542 3.831 ( -0.234 0.000 -9.963) 9.966 5.505 ( 2.014 0.000 11.523) 11.697 5.645 ( 6.136 0.000 8.570) 10.540 5.650 ( 5.670 0.000 7.487) 9.391 5.820 ( 13.930 0.000 1.242) 13.986 5.885 ( 5.699 0.000 -2.660) 6.289 5.983 ( 2.010 0.000 -8.245) 8.487 6.220 ( -0.540 0.000 5.682) 5.707 6.243 ( 1.683 0.000 3.839) 4.191 6.309 ( -0.336 0.000 6.586) 6.594 6.456 ( 5.761 0.000 9.723) 11.302 6.582 ( 2.618 0.000 -7.860) 8.284 6.902 ( 7.991 0.000 8.173) 11.431 7.308 ( -1.087 0.000 -19.420) 19.450 7.310 ( 2.063 0.000 -5.977) 6.323 8.572 ( -6.797 0.000 6.412) 9.344 8.742 ( 0.446 0.000 4.047) 4.071 8.847 ( -5.806 0.000 -0.199) 5.810 8.891 ( -6.928 0.000 -6.826) 9.725 8.969 ( -4.030 0.000 2.683) 4.842 9.217 ( -3.046 0.000 -5.008) 5.861 9.566 ( -4.302 0.000 6.489) 7.786 9.847 ( -5.491 0.000 -5.538) 7.799 20.071 ( 0.679 0.000 2.610) 2.697 20.186 ( 0.625 0.000 -2.244) 2.329 20.310 ( -0.652 0.000 2.566) 2.648 20.433 ( -0.756 0.000 -2.593) 2.701 20.600 ( 0.292 0.000 5.661) 5.668 20.876 ( -1.654 0.000 -1.075) 1.973 20.884 ( -0.724 0.000 -1.691) 1.839 21.034 ( -1.060 0.000 -3.088) 3.265 24.239 ( 6.712 0.000 -0.013) 6.712 24.279 ( 11.321 0.000 -3.189) 11.762 25.744 ( -3.303 0.000 0.638) 3.364 25.781 ( -3.318 0.000 -0.945) 3.451 32.649 ( 0.135 0.000 1.088) 1.097 32.677 ( -0.915 0.000 1.139) 1.461 32.718 ( 0.279 0.000 -1.012) 1.050 32.757 ( -0.992 0.000 -1.461) 1.766 42.528 ( 4.159 0.000 6.929) 8.082 42.861 ( 3.876 0.000 -7.057) 8.052 44.006 ( -5.219 0.000 3.224) 6.134 44.155 ( -3.956 0.000 -3.052) 4.997 44.492 ( 3.462 0.000 2.372) 4.197 44.567 ( 6.443 0.000 -0.780) 6.490 47.559 ( -42.062 0.000 16.145) 45.054 47.760 ( -16.340 0.000 0.778) 16.358 ======================= Grid point 200 (63/120) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 14.283 0.000 11.368) 18.255 1.231 ( 9.546 0.000 13.790) 16.771 1.847 ( 2.965 0.000 -24.111) 24.293 1.939 ( 2.153 0.000 -12.645) 12.827 2.374 ( -6.979 0.000 1.417) 7.121 2.439 ( 14.539 0.000 18.270) 23.349 2.488 ( -3.626 0.000 -4.424) 5.720 2.572 ( -7.338 0.000 7.528) 10.513 2.816 ( -9.017 0.000 -7.136) 11.499 3.418 ( 5.116 0.000 -5.038) 7.180 3.587 ( 5.653 0.000 7.246) 9.190 3.627 ( 2.712 0.000 -9.547) 9.925 3.816 ( -1.321 0.000 -7.551) 7.666 3.855 ( 1.184 0.000 -5.230) 5.363 5.565 ( 3.762 0.000 11.738) 12.326 5.780 ( 6.177 0.000 12.260) 13.729 5.811 ( 9.433 0.000 7.474) 12.034 5.998 ( 3.260 0.000 -4.006) 5.164 6.035 ( 2.447 0.000 1.180) 2.717 6.060 ( 6.651 0.000 13.751) 15.276 6.219 ( 2.749 0.000 1.671) 3.217 6.320 ( 7.034 0.000 -5.910) 9.187 6.357 ( 4.618 0.000 1.988) 5.028 6.613 ( 10.392 0.000 6.931) 12.491 6.664 ( 5.074 0.000 -7.517) 9.069 7.101 ( 10.280 0.000 3.667) 10.915 7.286 ( -0.513 0.000 -17.531) 17.539 7.424 ( 10.475 0.000 -8.128) 13.259 8.370 ( -12.971 0.000 6.347) 14.441 8.685 ( -13.251 0.000 -6.742) 14.868 8.711 ( -4.032 0.000 3.317) 5.221 8.775 ( -0.062 0.000 2.396) 2.397 8.857 ( -6.611 0.000 3.497) 7.479 9.127 ( -5.543 0.000 -2.945) 6.277 9.446 ( -7.169 0.000 3.073) 7.799 9.685 ( -10.285 0.000 -5.950) 11.882 20.091 ( 1.279 0.000 2.586) 2.885 20.203 ( 0.982 0.000 -2.006) 2.233 20.292 ( -1.017 0.000 2.295) 2.511 20.411 ( -1.405 0.000 -2.542) 2.904 20.611 ( 0.883 0.000 5.425) 5.497 20.819 ( -2.853 0.000 3.565) 4.566 20.892 ( 0.683 0.000 -5.729) 5.770 21.006 ( -1.543 0.000 -3.764) 4.068 24.428 ( 11.613 0.000 0.667) 11.632 24.548 ( 14.161 0.000 -6.566) 15.609 25.644 ( -6.501 0.000 0.526) 6.522 25.682 ( -6.450 0.000 -1.059) 6.536 32.650 ( -0.083 0.000 0.538) 0.544 32.657 ( -0.920 0.000 0.322) 0.974 32.721 ( 0.009 0.000 -0.585) 0.585 32.741 ( -0.422 0.000 -1.285) 1.352 42.652 ( 7.933 0.000 6.730) 10.403 42.975 ( 7.301 0.000 -6.892) 10.040 43.856 ( -9.391 0.000 3.931) 10.181 44.037 ( -7.590 0.000 -3.716) 8.451 44.590 ( 6.342 0.000 5.142) 8.165 44.769 ( 13.446 0.000 -2.488) 13.674 46.647 ( -42.856 0.000 34.282) 54.880 47.322 ( -26.169 0.000 -4.441) 26.543 ======================= Grid point 201 (64/120) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 15.080 0.000 5.839) 16.171 1.479 ( 14.091 0.000 4.925) 14.927 1.893 ( 0.431 0.000 -19.697) 19.702 1.985 ( 3.425 0.000 -14.168) 14.576 2.231 ( -5.939 0.000 1.691) 6.175 2.315 ( -11.797 0.000 2.496) 12.059 2.398 ( -5.165 0.000 -6.144) 8.027 2.597 ( -12.093 0.000 -8.418) 14.734 2.854 ( 19.126 0.000 17.601) 25.992 3.528 ( 4.406 0.000 -6.562) 7.904 3.635 ( -1.728 0.000 -0.129) 1.733 3.698 ( 5.112 0.000 6.217) 8.048 3.782 ( -1.741 0.000 -6.866) 7.083 3.866 ( -0.257 0.000 -1.351) 1.376 5.653 ( 4.888 0.000 11.878) 12.845 5.887 ( 4.570 0.000 15.522) 16.181 5.963 ( -0.844 0.000 7.464) 7.511 5.997 ( 3.545 0.000 5.952) 6.928 6.080 ( 2.064 0.000 -0.911) 2.256 6.093 ( -1.398 0.000 20.175) 20.223 6.343 ( 7.491 0.000 -5.701) 9.414 6.476 ( 6.153 0.000 -2.777) 6.751 6.485 ( 7.570 0.000 -11.059) 13.402 6.740 ( 1.168 0.000 -8.648) 8.726 6.887 ( 16.275 0.000 4.419) 16.864 7.324 ( 5.701 0.000 -13.263) 14.436 7.344 ( 15.135 0.000 6.567) 16.498 7.700 ( 14.108 0.000 -7.262) 15.867 8.056 ( -17.747 0.000 6.180) 18.792 8.363 ( -18.217 0.000 -6.645) 19.391 8.632 ( -5.569 0.000 4.371) 7.080 8.749 ( -3.682 0.000 -1.366) 3.927 8.752 ( -1.117 0.000 5.897) 6.001 9.033 ( -2.070 0.000 -1.751) 2.711 9.290 ( -8.099 0.000 -1.707) 8.277 9.443 ( -13.172 0.000 -6.304) 14.603 20.121 ( 1.723 0.000 2.530) 3.061 20.217 ( -0.054 0.000 -0.271) 0.276 20.278 ( 0.042 0.000 0.513) 0.515 20.377 ( -1.853 0.000 -2.446) 3.069 20.636 ( 1.537 0.000 4.844) 5.082 20.765 ( -2.519 0.000 3.539) 4.344 20.909 ( 0.893 0.000 -5.546) 5.617 20.976 ( -1.410 0.000 -4.383) 4.604 24.692 ( 14.008 0.000 1.041) 14.046 24.830 ( 13.456 0.000 -6.164) 14.800 25.480 ( -9.699 0.000 0.463) 9.711 25.525 ( -8.927 0.000 -1.474) 9.048 32.642 ( -0.523 0.000 -0.306) 0.606 32.645 ( -0.360 0.000 -0.319) 0.481 32.722 ( 0.239 0.000 -0.304) 0.387 32.738 ( -0.049 0.000 -0.926) 0.927 42.844 ( 10.912 0.000 6.348) 12.624 43.149 ( 9.612 0.000 -6.540) 11.625 43.637 ( -11.789 0.000 4.712) 12.696 43.854 ( -10.271 0.000 -4.456) 11.196 44.754 ( 9.955 0.000 10.025) 14.128 45.102 ( 19.011 0.000 -4.732) 19.591 45.907 ( -29.883 0.000 32.868) 44.422 46.744 ( -29.895 0.000 -8.294) 31.025 ======================= Grid point 202 (65/120) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 13.919 0.000 0.743) 13.939 1.769 ( 14.066 0.000 0.357) 14.070 1.801 ( -9.602 0.000 -7.106) 11.945 2.023 ( -8.252 0.000 -3.756) 9.067 2.148 ( 4.075 0.000 -7.103) 8.189 2.197 ( 2.629 0.000 -5.480) 6.078 2.288 ( -5.448 0.000 -7.431) 9.214 2.346 ( -12.138 0.000 -9.267) 15.271 3.209 ( 15.471 0.000 10.526) 18.712 3.466 ( -9.532 0.000 2.468) 9.846 3.669 ( 4.172 0.000 -2.301) 4.764 3.741 ( -2.687 0.000 -5.474) 6.098 3.787 ( 3.615 0.000 4.546) 5.808 3.844 ( -1.936 0.000 2.045) 2.816 5.759 ( 5.492 0.000 11.819) 13.033 5.871 ( -5.439 0.000 11.145) 12.401 5.971 ( 3.831 0.000 17.768) 18.176 6.043 ( -3.208 0.000 19.541) 19.802 6.081 ( 2.600 0.000 2.564) 3.652 6.105 ( 0.148 0.000 0.457) 0.481 6.479 ( 5.564 0.000 -8.303) 9.995 6.545 ( -0.217 0.000 -7.872) 7.875 6.615 ( 5.495 0.000 -10.546) 11.892 6.709 ( -3.579 0.000 -9.708) 10.346 7.250 ( 19.248 0.000 4.616) 19.794 7.545 ( 11.659 0.000 -6.711) 13.453 7.681 ( -14.831 0.000 4.121) 15.393 7.682 ( 16.015 0.000 7.059) 17.501 7.874 ( -0.020 0.000 0.790) 0.791 7.965 ( -20.446 0.000 -6.712) 21.519 8.524 ( -1.681 0.000 4.614) 4.910 8.606 ( -7.771 0.000 1.764) 7.969 8.860 ( 9.708 0.000 -1.508) 9.824 9.061 ( 2.091 0.000 -1.760) 2.733 9.103 ( -9.392 0.000 -6.771) 11.578 9.200 ( -9.051 0.000 -5.268) 10.472 20.159 ( 1.922 0.000 2.392) 3.068 20.196 ( -1.667 0.000 1.911) 2.536 20.299 ( 1.704 0.000 -1.722) 2.423 20.338 ( -2.016 0.000 -2.258) 3.027 20.672 ( 2.015 0.000 4.182) 4.642 20.716 ( -2.303 0.000 3.692) 4.352 20.928 ( 1.013 0.000 -5.238) 5.335 20.950 ( -1.159 0.000 -4.858) 4.995 24.980 ( 14.063 0.000 0.922) 14.094 25.089 ( 11.876 0.000 -4.310) 12.634 25.256 ( -12.165 0.000 0.653) 12.182 25.325 ( -10.680 0.000 -2.532) 10.976 32.636 ( -0.069 0.000 -0.677) 0.680 32.638 ( -0.260 0.000 -0.739) 0.784 32.729 ( 0.367 0.000 -0.309) 0.480 32.735 ( -0.209 0.000 -0.570) 0.607 43.084 ( 12.507 0.000 5.609) 13.707 43.300 ( -2.533 0.000 -0.538) 2.589 43.446 ( 0.752 0.000 -0.055) 0.754 43.632 ( -11.334 0.000 -4.944) 12.365 44.998 ( 14.353 0.000 16.636) 21.972 45.321 ( -13.859 0.000 19.465) 23.894 45.628 ( 17.956 0.000 -1.994) 18.066 46.145 ( -28.664 0.000 -9.000) 30.044 ======================= Grid point 207 (66/120) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 25.395 14.939) 29.463 1.173 ( 0.000 6.106 21.970) 22.802 1.854 ( 0.000 15.726 14.829) 21.615 1.960 ( 0.000 13.859 -22.110) 26.094 2.205 ( 0.000 5.785 -0.495) 5.806 2.576 ( 0.000 3.243 -1.572) 3.604 2.600 ( 0.000 4.346 -1.388) 4.563 2.760 ( 0.000 -5.405 5.734) 7.880 2.950 ( 0.000 -0.469 -4.162) 4.189 3.341 ( 0.000 -3.466 7.192) 7.983 3.472 ( 0.000 1.106 -26.350) 26.373 3.661 ( 0.000 17.083 4.106) 17.570 3.766 ( 0.000 -4.741 -11.422) 12.367 3.947 ( 0.000 10.876 -8.203) 13.622 5.541 ( 0.000 -0.242 4.587) 4.593 5.548 ( 0.000 -2.004 4.263) 4.711 5.667 ( 0.000 1.832 4.565) 4.919 5.750 ( 0.000 2.768 2.871) 3.989 5.836 ( 0.000 18.586 7.302) 19.969 6.158 ( 0.000 -3.224 11.166) 11.622 6.183 ( 0.000 19.649 -8.508) 21.412 6.442 ( 0.000 8.048 5.995) 10.035 6.483 ( 0.000 11.696 14.110) 18.327 6.517 ( 0.000 6.955 -3.706) 7.881 6.613 ( 0.000 12.761 -4.354) 13.484 6.905 ( 0.000 12.586 4.212) 13.272 7.219 ( 0.000 -4.849 -6.475) 8.089 7.357 ( 0.000 2.292 -17.363) 17.514 8.573 ( 0.000 -5.969 5.178) 7.902 8.756 ( 0.000 -9.973 -2.437) 10.266 8.776 ( 0.000 3.546 4.766) 5.940 9.017 ( 0.000 0.724 2.126) 2.246 9.024 ( 0.000 2.444 -5.590) 6.101 9.227 ( 0.000 -1.952 -4.943) 5.315 9.590 ( 0.000 -1.896 7.575) 7.809 9.882 ( 0.000 -1.924 -5.391) 5.724 20.138 ( 0.000 6.806 2.978) 7.429 20.268 ( 0.000 7.408 -2.435) 7.798 20.345 ( 0.000 2.739 2.326) 3.594 20.462 ( 0.000 2.025 -2.483) 3.204 20.541 ( 0.000 -4.973 5.584) 7.477 20.824 ( 0.000 -5.063 -6.325) 8.102 20.867 ( 0.000 -3.573 3.080) 4.717 21.001 ( 0.000 -3.817 -2.727) 4.691 24.150 ( 0.000 -0.116 0.365) 0.383 24.167 ( 0.000 -0.198 -0.355) 0.406 25.776 ( 0.000 -0.122 0.637) 0.648 25.811 ( 0.000 -0.327 -0.854) 0.915 32.614 ( 0.000 -3.083 1.272) 3.335 32.664 ( 0.000 -2.235 1.777) 2.855 32.681 ( 0.000 -2.921 -1.527) 3.296 32.741 ( 0.000 -2.602 -1.519) 3.013 42.552 ( 0.000 6.215 6.860) 9.257 42.881 ( 0.000 5.369 -6.884) 8.730 44.157 ( 0.000 -3.057 0.058) 3.058 44.171 ( 0.000 7.089 -2.000) 7.366 44.471 ( 0.000 2.790 3.476) 4.457 44.646 ( 0.000 12.365 -3.781) 12.930 47.777 ( 0.000 -12.654 3.407) 13.105 47.884 ( 0.000 -15.109 0.730) 15.126 ======================= Grid point 208 (67/120) ======================= q-point: ( 0.11 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 4.305 16.948 14.945) 23.002 1.245 ( 6.019 16.121 16.821) 24.064 1.896 ( 2.193 8.622 -4.870) 10.142 2.004 ( 4.548 14.868 -14.301) 21.125 2.256 ( 6.085 7.551 8.657) 13.000 2.533 ( -4.239 2.308 -0.540) 4.856 2.573 ( -2.362 4.118 -0.249) 4.753 2.720 ( -3.852 -1.989 4.032) 5.921 2.913 ( -3.837 -1.733 -4.834) 6.410 3.344 ( 1.338 -1.355 1.607) 2.491 3.524 ( 3.751 -0.459 -18.355) 18.740 3.674 ( 1.146 11.931 0.250) 11.988 3.791 ( 2.273 -0.328 -7.097) 7.459 3.962 ( 1.404 11.360 -7.141) 13.492 5.573 ( 4.403 -0.083 7.443) 8.649 5.674 ( 8.907 1.196 6.269) 10.957 5.763 ( 7.962 2.437 3.439) 9.009 5.821 ( 6.640 7.285 3.099) 10.333 5.891 ( 6.342 9.949 6.077) 13.271 6.166 ( 0.762 0.999 7.745) 7.846 6.209 ( 2.731 15.156 -5.820) 16.463 6.393 ( -3.263 6.468 9.007) 11.559 6.501 ( 2.029 16.029 3.496) 16.531 6.599 ( 5.820 6.966 1.003) 9.133 6.621 ( 1.476 10.420 -3.846) 11.204 6.955 ( 4.667 8.556 2.499) 10.061 7.247 ( 3.384 -3.265 -7.173) 8.577 7.342 ( -1.350 1.814 -16.690) 16.843 8.540 ( -3.963 -3.641 5.100) 7.414 8.700 ( -4.845 -7.972 -0.603) 9.349 8.753 ( -1.618 0.723 3.790) 4.184 8.950 ( -6.929 2.205 -4.337) 8.467 8.978 ( -4.002 1.071 2.068) 4.631 9.197 ( -3.008 -1.909 -4.448) 5.699 9.545 ( -4.346 -1.937 6.540) 8.087 9.825 ( -5.651 -2.067 -5.493) 8.148 20.143 ( 0.451 6.583 2.925) 7.218 20.268 ( -0.009 6.929 -2.213) 7.274 20.339 ( -0.632 2.711 2.378) 3.661 20.455 ( -0.730 2.011 -2.436) 3.242 20.547 ( 0.656 -4.563 5.396) 7.097 20.825 ( -0.175 -4.844 -5.105) 7.040 20.846 ( -1.456 -3.091 2.282) 4.108 20.992 ( -0.875 -3.661 -2.998) 4.812 24.236 ( 6.664 -0.250 -0.042) 6.669 24.264 ( 10.308 -1.230 -2.087) 10.588 25.742 ( -3.316 -0.134 0.606) 3.374 25.778 ( -3.331 -0.336 -0.883) 3.462 32.616 ( 0.185 -3.049 1.166) 3.270 32.653 ( -0.864 -2.197 1.050) 2.584 32.686 ( 0.300 -2.908 -0.978) 3.083 32.729 ( -1.062 -2.602 -1.378) 3.130 42.598 ( 4.499 6.533 6.767) 10.427 42.923 ( 4.124 5.624 -6.820) 9.755 44.123 ( -3.746 5.103 -0.048) 6.331 44.161 ( -1.243 3.326 -1.593) 3.892 44.517 ( 4.541 1.253 2.618) 5.389 44.648 ( 0.909 9.381 -2.895) 9.859 47.454 ( -36.447 -8.726 14.070) 40.031 47.628 ( -15.472 -12.077 1.176) 19.663 ======================= Grid point 209 (68/120) ======================= q-point: ( 0.22 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 10.683 10.417 9.180) 17.519 1.397 ( 8.846 21.523 11.096) 25.780 1.925 ( 1.234 3.993 -15.701) 16.247 2.090 ( 3.472 14.613 -17.231) 22.858 2.408 ( -1.612 0.442 3.332) 3.728 2.413 ( -4.534 3.564 2.176) 6.164 2.578 ( 9.200 6.606 14.935) 18.744 2.615 ( -6.149 3.826 0.082) 7.243 2.795 ( -7.482 -1.310 -5.813) 9.565 3.407 ( 4.532 -0.821 -1.536) 4.855 3.585 ( 1.614 -1.962 -9.149) 9.495 3.695 ( 0.720 2.470 -6.332) 6.835 3.851 ( 3.519 8.468 0.418) 9.180 3.996 ( 1.761 12.360 -4.173) 13.163 5.687 ( 6.179 2.351 10.132) 12.098 5.872 ( 8.815 10.086 7.108) 15.165 5.877 ( 5.557 9.075 10.560) 14.992 6.023 ( 10.693 0.584 -1.383) 10.798 6.050 ( 5.548 0.601 13.728) 14.819 6.205 ( 3.684 11.173 -1.968) 11.928 6.289 ( 3.293 11.409 1.253) 11.941 6.354 ( 2.796 2.500 4.999) 6.250 6.542 ( 2.216 15.681 -2.833) 16.089 6.694 ( 4.877 9.926 -5.061) 12.162 6.730 ( 7.116 5.104 0.645) 8.781 7.083 ( 8.380 0.864 1.681) 8.591 7.309 ( -1.076 1.552 -15.233) 15.350 7.398 ( 11.739 -1.225 -8.276) 14.415 8.382 ( -11.778 0.813 5.289) 12.937 8.584 ( -6.861 -6.102 -1.135) 9.252 8.737 ( -0.788 -1.883 2.390) 3.144 8.764 ( -9.447 1.285 -1.436) 9.642 8.867 ( -6.498 1.065 3.176) 7.311 9.107 ( -5.621 -1.867 -2.572) 6.457 9.424 ( -7.232 -2.037 3.256) 8.188 9.658 ( -10.589 -2.485 -5.766) 12.311 20.156 ( 0.870 5.963 2.786) 6.639 20.269 ( 0.068 5.655 -1.623) 5.884 20.323 ( -0.795 2.891 2.143) 3.686 20.434 ( -1.290 2.129 -2.369) 3.436 20.568 ( 1.390 -3.699 4.934) 6.321 20.791 ( -2.388 -2.548 2.595) 4.351 20.846 ( 0.777 -4.279 -5.034) 6.652 20.969 ( -1.335 -3.324 -3.556) 5.047 24.425 ( 11.576 -0.335 0.555) 11.594 24.519 ( 13.907 -2.436 -4.862) 14.933 25.642 ( -6.529 -0.174 0.499) 6.550 25.678 ( -6.514 -0.396 -0.981) 6.599 32.619 ( 0.075 -2.887 0.746) 2.983 32.634 ( -0.892 -2.106 0.385) 2.319 32.690 ( 0.106 -2.833 -0.676) 2.914 32.709 ( -0.729 -2.876 -1.158) 3.185 42.732 ( 8.593 7.463 6.456) 13.085 43.045 ( 7.791 6.367 -6.663) 12.069 43.997 ( -8.616 10.781 0.957) 13.834 44.102 ( -5.016 5.776 -2.667) 8.102 44.618 ( 4.697 2.591 3.343) 6.321 44.754 ( 11.000 -0.633 -2.250) 11.246 46.625 ( -40.863 -1.736 29.115) 50.204 47.207 ( -25.214 -10.511 -3.660) 27.561 ======================= Grid point 210 (69/120) ======================= q-point: ( 0.33 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 13.541 7.579 2.361) 15.696 1.599 ( 10.926 19.044 6.640) 22.938 1.964 ( 2.785 3.016 -14.492) 15.062 2.152 ( 1.781 16.204 -14.705) 21.954 2.250 ( -7.763 -0.179 0.101) 7.766 2.309 ( -6.876 3.360 0.008) 7.653 2.478 ( -7.284 4.838 -3.494) 9.416 2.615 ( -9.339 2.091 -7.070) 11.899 2.893 ( 16.778 4.275 16.287) 23.770 3.507 ( 4.598 -1.509 -3.776) 6.138 3.570 ( -3.002 -3.682 -0.495) 4.777 3.701 ( -0.318 -1.949 -8.714) 8.935 3.925 ( 3.594 13.523 4.241) 14.621 4.023 ( 0.736 13.502 -0.302) 13.526 5.807 ( 5.670 4.298 11.887) 13.853 5.947 ( 3.222 12.376 11.916) 17.479 6.059 ( 2.773 3.157 12.406) 13.098 6.074 ( 3.170 3.070 11.233) 12.068 6.190 ( 3.069 10.289 2.844) 11.108 6.214 ( -0.684 15.496 6.473) 16.807 6.375 ( 6.596 7.044 -8.127) 12.617 6.543 ( 10.241 5.025 -3.669) 11.982 6.614 ( 5.334 10.828 -4.103) 12.749 6.729 ( -1.449 2.673 -9.511) 9.985 6.936 ( 13.139 5.277 1.829) 14.277 7.297 ( 8.804 -0.949 -8.975) 12.608 7.364 ( 12.078 0.683 1.700) 12.216 7.681 ( 13.672 -1.197 -6.932) 15.376 8.084 ( -16.742 2.505 5.009) 17.654 8.348 ( -16.720 -1.418 -6.088) 17.851 8.608 ( -5.701 -1.965 3.853) 7.156 8.726 ( -2.863 -2.216 1.622) 3.967 8.751 ( -2.920 0.279 3.487) 4.556 9.006 ( -2.593 -2.381 -1.260) 3.738 9.267 ( -8.128 -2.105 -1.393) 8.511 9.409 ( -13.520 -3.091 -5.862) 15.057 20.178 ( 1.246 5.108 2.580) 5.857 20.263 ( -0.843 3.990 0.342) 4.092 20.317 ( 0.400 3.623 0.215) 3.651 20.404 ( -1.639 2.443 -2.240) 3.698 20.602 ( 1.978 -2.850 4.368) 5.577 20.742 ( -2.404 -2.007 3.084) 4.396 20.865 ( 1.106 -4.007 -5.261) 6.705 20.941 ( -1.358 -3.128 -4.119) 5.348 24.688 ( 14.018 -0.360 0.893) 14.051 24.802 ( 13.780 -2.376 -4.938) 14.830 25.478 ( -9.723 -0.224 0.421) 9.735 25.518 ( -9.116 -0.614 -1.320) 9.231 32.618 ( -0.198 -2.560 0.031) 2.568 32.620 ( -0.523 -2.102 -0.176) 2.173 32.691 ( 0.082 -2.840 -0.433) 2.874 32.702 ( -0.099 -3.259 -0.820) 3.362 42.940 ( 11.817 8.902 5.815) 15.897 43.230 ( 10.286 7.488 -6.441) 14.261 43.785 ( -11.966 12.583 2.390) 17.528 43.954 ( -9.388 8.995 -4.224) 13.671 44.747 ( 8.697 -0.457 8.854) 12.419 45.061 ( 18.440 -3.845 -4.456) 19.356 45.893 ( -30.624 -0.990 29.826) 42.760 46.649 ( -29.035 -8.850 -7.395) 31.241 ======================= Grid point 211 (70/120) ======================= q-point: ( 0.44 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 11.981 7.650 -1.641) 14.309 1.829 ( 11.308 12.851 1.835) 17.216 1.962 ( -6.143 6.595 -4.746) 10.186 2.073 ( -10.741 7.329 -0.147) 13.004 2.152 ( 4.475 2.869 -6.765) 8.604 2.291 ( -0.286 6.171 -11.321) 12.897 2.324 ( -3.721 5.023 -4.794) 7.878 2.435 ( -7.810 7.861 -7.892) 13.604 3.207 ( 13.698 0.488 9.958) 16.942 3.436 ( -8.778 -2.012 3.527) 9.671 3.610 ( 4.071 -3.284 -3.786) 6.457 3.675 ( -2.262 -3.110 -6.583) 7.624 3.988 ( 2.477 14.768 4.647) 15.679 4.022 ( -0.874 14.483 2.953) 14.806 5.915 ( 4.861 2.342 13.760) 14.780 5.992 ( -1.307 0.537 14.587) 14.655 6.034 ( 1.200 13.872 13.673) 19.515 6.098 ( -3.399 14.932 10.908) 18.802 6.214 ( 2.986 12.551 4.059) 13.524 6.246 ( 0.097 9.842 2.623) 10.187 6.515 ( 6.835 6.094 -10.046) 13.593 6.638 ( -4.639 7.725 -8.964) 12.710 6.679 ( 4.128 6.803 -9.052) 12.053 6.724 ( 0.643 4.450 -7.470) 8.718 7.254 ( 18.384 0.842 3.976) 18.828 7.539 ( 14.871 -0.740 -7.472) 16.659 7.649 ( -9.910 -1.468 4.430) 10.954 7.704 ( 8.956 1.327 5.297) 10.489 7.904 ( -2.166 2.422 0.423) 3.277 7.969 ( -18.425 0.406 -5.276) 19.170 8.503 ( -1.557 -2.160 3.361) 4.288 8.590 ( -7.886 -1.423 0.857) 8.059 8.831 ( 9.017 -2.316 0.254) 9.313 9.025 ( 1.014 -3.251 -1.242) 3.625 9.078 ( -8.893 -2.210 -6.021) 10.964 9.166 ( -8.657 -3.063 -4.562) 10.254 20.206 ( 1.514 4.265 2.298) 5.076 20.237 ( -1.518 3.695 1.802) 4.383 20.337 ( 1.424 3.464 -1.367) 3.987 20.369 ( -1.719 2.913 -1.957) 3.908 20.646 ( 2.294 -2.237 3.821) 4.987 20.694 ( -2.393 -1.946 3.375) 4.572 20.889 ( 1.226 -3.584 -5.010) 6.280 20.915 ( -1.280 -3.237 -4.610) 5.776 24.976 ( 14.106 -0.309 0.797) 14.132 25.070 ( 12.393 -1.688 -3.636) 13.025 25.252 ( -12.295 -0.301 0.581) 12.312 25.313 ( -11.010 -1.081 -2.194) 11.278 32.613 ( -0.117 -2.166 -0.450) 2.216 32.614 ( -0.161 -2.295 -0.471) 2.348 32.695 ( 0.248 -3.103 -0.357) 3.134 32.699 ( -0.159 -3.255 -0.521) 3.300 43.199 ( 13.396 10.505 4.537) 17.618 43.409 ( 0.847 9.557 -2.973) 10.045 43.569 ( -2.813 11.441 0.799) 11.809 43.738 ( -11.389 9.815 -4.856) 15.799 44.978 ( 14.222 -1.844 15.732) 21.288 45.308 ( -13.961 -1.128 18.009) 22.815 45.559 ( 16.847 -6.414 -1.527) 18.091 46.065 ( -27.997 -7.457 -8.296) 30.137 ======================= Grid point 216 (71/120) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.000 10.311 17.535) 20.342 1.414 ( 0.000 13.232 11.674) 17.646 2.123 ( 0.000 6.947 -12.287) 14.115 2.186 ( 0.000 6.642 -16.370) 17.666 2.509 ( 0.000 10.861 13.372) 17.226 2.653 ( 0.000 8.147 0.046) 8.147 2.692 ( 0.000 6.526 -1.666) 6.735 2.791 ( 0.000 11.310 4.406) 12.138 2.929 ( 0.000 -1.583 -5.333) 5.563 3.244 ( 0.000 -5.652 6.472) 8.592 3.535 ( 0.000 5.369 -20.773) 21.455 3.626 ( 0.000 -8.478 -9.985) 13.099 4.047 ( 0.000 19.476 0.858) 19.495 4.231 ( 0.000 15.753 -6.848) 17.177 5.508 ( 0.000 -2.356 1.984) 3.080 5.513 ( 0.000 -1.289 1.689) 2.124 5.689 ( 0.000 -0.137 5.442) 5.444 5.701 ( 0.000 -2.517 5.447) 6.000 6.077 ( 0.000 -3.733 11.566) 12.153 6.461 ( 0.000 1.262 -6.501) 6.622 6.497 ( 0.000 25.985 7.265) 26.982 6.551 ( 0.000 4.686 15.973) 16.646 6.637 ( 0.000 14.280 2.631) 14.520 6.751 ( 0.000 14.085 -7.603) 16.006 6.951 ( 0.000 15.747 -8.481) 17.886 7.147 ( 0.000 0.396 -1.889) 1.930 7.374 ( 0.000 26.207 0.826) 26.220 7.536 ( 0.000 19.642 -9.622) 21.872 8.427 ( 0.000 -7.294 4.270) 8.452 8.593 ( 0.000 -4.375 -3.691) 5.724 8.869 ( 0.000 4.889 3.162) 5.822 9.046 ( 0.000 2.356 1.342) 2.711 9.072 ( 0.000 2.592 -4.757) 5.417 9.173 ( 0.000 -3.111 -3.346) 4.569 9.542 ( 0.000 -2.465 7.358) 7.759 9.827 ( 0.000 -3.313 -5.218) 6.181 20.318 ( 0.000 9.673 3.517) 10.293 20.386 ( 0.000 -2.217 3.223) 3.912 20.416 ( 0.000 3.564 2.366) 4.278 20.478 ( 0.000 5.309 -0.909) 5.386 20.517 ( 0.000 3.036 -2.162) 3.727 20.681 ( 0.000 -7.970 -6.286) 10.150 20.792 ( 0.000 -3.317 2.837) 4.365 20.906 ( 0.000 -5.081 -2.374) 5.609 24.147 ( 0.000 -0.176 0.313) 0.359 24.162 ( 0.000 -0.333 -0.303) 0.450 25.773 ( 0.000 -0.167 0.537) 0.562 25.802 ( 0.000 -0.518 -0.710) 0.879 32.532 ( 0.000 -4.495 1.383) 4.703 32.601 ( 0.000 -3.610 1.543) 3.926 32.602 ( 0.000 -4.487 -1.527) 4.739 32.668 ( 0.000 -4.305 -1.306) 4.499 42.726 ( 0.000 10.046 6.468) 11.948 43.021 ( 0.000 7.645 -5.514) 9.426 44.084 ( 0.000 -3.740 2.461) 4.477 44.224 ( 0.000 -1.493 -3.647) 3.941 44.591 ( 0.000 7.123 3.911) 8.126 44.950 ( 0.000 15.214 -9.222) 17.791 47.447 ( 0.000 -17.578 5.459) 18.406 47.574 ( 0.000 -13.087 2.171) 13.265 ======================= Grid point 217 (72/120) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 1.500 11.443 12.319) 16.881 1.566 ( 10.145 11.518 11.222) 19.014 2.072 ( -2.782 6.605 -13.611) 15.382 2.250 ( 4.209 6.764 -13.845) 15.973 2.516 ( -0.817 1.414 7.985) 8.150 2.611 ( -2.240 13.689 0.856) 13.897 2.704 ( 0.500 7.662 1.207) 7.773 2.771 ( -1.633 10.673 3.332) 11.300 2.888 ( -3.323 0.694 -2.909) 4.470 3.284 ( 3.526 -4.671 5.752) 8.206 3.551 ( 0.896 3.314 -17.326) 17.663 3.634 ( 0.933 -6.689 -10.975) 12.886 4.083 ( 3.370 19.264 1.405) 19.607 4.257 ( 2.398 16.291 -5.949) 17.508 5.557 ( 4.952 -0.877 5.150) 7.198 5.642 ( 11.411 -3.041 1.255) 11.876 5.764 ( 6.493 -0.407 5.099) 8.266 5.802 ( 9.478 -2.203 5.259) 11.061 6.086 ( 1.356 -4.125 9.776) 10.697 6.427 ( -1.752 2.313 -2.035) 3.544 6.537 ( 2.300 34.814 5.249) 35.283 6.583 ( 3.249 -1.529 14.449) 14.889 6.681 ( 4.377 9.696 -1.980) 10.821 6.773 ( 2.230 14.126 -6.164) 15.573 6.954 ( 0.419 16.884 -7.691) 18.559 7.152 ( 0.731 1.149 -1.169) 1.794 7.399 ( 2.538 23.630 -1.513) 23.814 7.518 ( -1.597 19.795 -8.935) 21.777 8.429 ( -0.153 -6.191 3.862) 7.298 8.563 ( -2.736 -3.621 -2.675) 5.268 8.814 ( -5.076 4.164 3.262) 7.331 8.988 ( -6.117 2.204 -1.258) 6.623 9.018 ( -4.764 2.678 -1.006) 5.557 9.144 ( -2.826 -2.962 -3.345) 5.287 9.496 ( -4.433 -2.507 6.507) 8.263 9.766 ( -5.972 -3.455 -5.209) 8.646 20.314 ( -0.350 8.658 3.368) 9.297 20.387 ( -0.088 -0.435 2.513) 2.552 20.412 ( -0.459 4.041 2.099) 4.576 20.482 ( 0.491 3.882 -0.155) 3.916 20.513 ( -0.410 2.931 -1.922) 3.528 20.689 ( 0.717 -7.559 -6.066) 9.719 20.779 ( -1.144 -3.027 2.890) 4.339 20.900 ( -0.594 -4.950 -2.518) 5.585 24.229 ( 6.576 -0.398 -0.090) 6.589 24.239 ( 8.565 -1.078 -0.728) 8.663 25.739 ( -3.349 -0.182 0.515) 3.393 25.769 ( -3.359 -0.529 -0.733) 3.478 32.534 ( 0.259 -4.471 1.318) 4.668 32.591 ( -0.681 -3.643 0.517) 3.742 32.607 ( 0.217 -4.391 -0.611) 4.438 32.656 ( -1.019 -4.206 -1.178) 4.485 42.780 ( 5.339 10.526 6.315) 13.386 43.071 ( 4.895 8.135 -5.506) 10.975 44.100 ( 1.459 -2.724 2.836) 4.194 44.259 ( 2.754 0.549 -4.866) 5.618 44.581 ( -0.358 5.153 4.230) 6.676 44.912 ( -3.517 14.094 -8.364) 16.762 47.264 ( -24.739 -9.419 7.754) 27.583 47.318 ( -16.021 -15.318 4.045) 22.532 ======================= Grid point 218 (73/120) ======================= q-point: ( 0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 8.000 10.055 5.592) 14.013 1.764 ( 8.856 10.563 5.956) 15.016 2.037 ( -0.418 6.325 -11.769) 13.367 2.329 ( 2.983 5.468 -10.631) 12.321 2.444 ( -4.840 2.459 -1.315) 5.586 2.546 ( -5.048 7.107 -2.003) 8.945 2.690 ( -4.310 2.866 -1.249) 5.325 2.758 ( -0.578 6.390 -0.729) 6.457 2.868 ( 4.946 14.895 11.583) 19.506 3.370 ( 4.621 -3.569 4.037) 7.099 3.550 ( -1.091 -1.629 -8.469) 8.693 3.657 ( 0.825 -2.169 -13.455) 13.654 4.173 ( 5.181 19.056 2.932) 19.964 4.316 ( 3.049 17.512 -3.283) 18.076 5.681 ( 6.675 -1.054 7.722) 10.261 5.900 ( 5.694 -3.314 3.228) 7.337 5.932 ( 14.754 -0.596 3.795) 15.245 6.006 ( 8.660 -0.094 11.560) 14.444 6.182 ( 9.971 -5.180 3.594) 11.797 6.414 ( 1.015 2.341 -1.138) 2.794 6.584 ( 2.588 36.431 6.753) 37.142 6.664 ( 3.706 -1.312 4.090) 5.673 6.787 ( 4.448 16.266 -4.791) 17.531 6.872 ( 9.036 5.716 -1.896) 10.858 6.972 ( 1.620 20.506 -6.408) 21.545 7.200 ( 4.839 1.020 -0.627) 4.985 7.440 ( -1.232 21.314 -7.459) 22.615 7.524 ( 5.505 15.407 -5.112) 17.141 8.383 ( -6.144 -1.220 3.270) 7.066 8.486 ( -5.255 -2.425 -1.685) 6.028 8.706 ( -3.855 0.020 3.111) 4.953 8.803 ( -11.222 2.618 -1.551) 11.627 8.899 ( -6.741 1.956 2.045) 7.311 9.058 ( -5.559 -2.572 -2.272) 6.533 9.373 ( -7.340 -2.597 3.754) 8.643 9.590 ( -11.172 -3.839 -5.124) 12.876 20.306 ( -0.307 7.021 2.913) 7.608 20.376 ( -1.004 2.507 1.134) 2.929 20.404 ( -0.072 4.303 1.716) 4.633 20.488 ( -0.551 3.213 -1.434) 3.561 20.515 ( 1.317 1.214 1.097) 2.100 20.706 ( 0.695 -5.878 -4.467) 7.416 20.754 ( -0.994 -3.214 1.793) 3.812 20.883 ( -1.044 -4.671 -2.861) 5.576 24.416 ( 11.499 -0.490 0.323) 11.514 24.466 ( 13.141 -2.396 -2.282) 13.551 25.638 ( -6.602 -0.243 0.428) 6.620 25.667 ( -6.649 -0.597 -0.794) 6.723 32.541 ( 0.323 -4.356 1.092) 4.502 32.576 ( -0.786 -3.391 0.430) 3.507 32.611 ( 0.156 -4.541 -0.754) 4.606 32.634 ( -1.051 -4.133 -0.958) 4.371 42.939 ( 10.160 11.881 5.778) 16.666 43.215 ( 9.184 9.487 -5.543) 14.321 44.128 ( 0.500 1.787 3.086) 3.601 44.275 ( -2.530 8.208 -5.525) 10.213 44.632 ( 6.288 -1.717 2.989) 7.171 44.835 ( -2.524 8.821 -5.430) 10.661 46.598 ( -36.367 -0.447 17.643) 40.424 46.928 ( -23.230 -15.152 -0.518) 27.740 ======================= Grid point 219 (74/120) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 11.187 7.530 -0.395) 13.491 1.919 ( 6.627 7.461 -0.834) 10.014 2.055 ( 1.535 4.977 -6.248) 8.134 2.303 ( -4.134 5.692 -1.112) 7.122 2.382 ( -5.589 3.251 -7.316) 9.763 2.458 ( 0.521 9.816 -7.289) 12.237 2.572 ( -6.623 4.799 -1.384) 8.295 2.701 ( -3.986 6.229 -4.333) 8.571 3.052 ( 10.671 11.085 12.857) 20.051 3.461 ( 3.945 -3.596 1.461) 5.535 3.508 ( -2.737 -1.995 -2.075) 3.972 3.656 ( -0.966 -1.320 -11.175) 11.294 4.276 ( 4.667 19.284 4.239) 20.288 4.368 ( 1.841 18.750 0.237) 18.842 5.802 ( 4.927 -1.767 8.736) 10.184 5.951 ( 0.239 -4.148 7.445) 8.526 6.138 ( 5.757 1.021 7.443) 9.465 6.164 ( 5.371 -1.266 6.996) 8.910 6.462 ( 12.380 0.795 -3.057) 12.777 6.500 ( 9.444 3.859 2.099) 10.415 6.645 ( 3.291 30.215 6.106) 31.001 6.708 ( 0.672 4.120 -1.769) 4.534 6.870 ( 5.017 21.276 -1.496) 21.911 7.002 ( 2.923 22.595 -3.361) 23.030 7.140 ( 14.891 6.344 -4.525) 16.807 7.322 ( 2.037 2.989 -10.310) 10.926 7.453 ( 9.120 15.974 3.814) 18.786 7.704 ( 10.002 5.404 -5.226) 12.512 8.152 ( -14.798 3.958 2.696) 15.553 8.312 ( -13.526 -1.758 -4.424) 14.339 8.580 ( -8.974 -0.326 3.165) 9.521 8.682 ( -1.144 -1.015 0.562) 1.629 8.763 ( -5.429 0.744 3.769) 6.650 8.948 ( -3.618 -2.717 -0.983) 4.630 9.215 ( -7.978 -2.514 -0.214) 8.368 9.328 ( -14.103 -4.247 -4.526) 15.408 20.304 ( 0.077 5.757 2.275) 6.191 20.351 ( -1.295 3.675 0.901) 3.999 20.409 ( 0.488 4.399 0.705) 4.481 20.469 ( -1.168 3.533 -1.669) 4.078 20.555 ( 2.354 -0.135 2.490) 3.429 20.696 ( -1.623 -2.021 1.497) 2.993 20.759 ( 1.387 -5.527 -3.616) 6.749 20.858 ( -1.356 -4.516 -3.303) 5.756 24.678 ( 14.040 -0.516 0.570) 14.061 24.747 ( 14.193 -2.676 -2.729) 14.699 25.472 ( -9.787 -0.332 0.327) 9.798 25.502 ( -9.527 -0.854 -0.971) 9.615 32.546 ( 0.192 -4.075 0.674) 4.135 32.562 ( -0.570 -3.333 0.195) 3.387 32.613 ( 0.059 -4.575 -0.680) 4.626 32.618 ( -0.461 -4.318 -0.744) 4.406 43.183 ( 13.723 13.752 4.607) 19.966 43.433 ( 11.900 11.291 -5.766) 17.389 44.062 ( -7.956 12.115 1.223) 14.546 44.177 ( -6.529 11.132 -4.369) 13.626 44.744 ( 4.760 0.072 4.973) 6.884 44.955 ( 15.131 -5.752 -3.563) 16.575 45.889 ( -32.297 1.073 21.369) 38.741 46.409 ( -27.204 -13.342 -4.283) 30.601 ======================= Grid point 220 (75/120) ======================= q-point: ( 0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 10.490 4.856 -3.847) 12.183 2.022 ( -5.803 2.131 -4.948) 7.918 2.052 ( 7.084 4.183 -3.968) 9.134 2.217 ( -8.843 3.143 -5.520) 10.889 2.297 ( 4.322 10.894 -0.156) 11.721 2.423 ( -6.947 7.348 0.548) 10.127 2.526 ( 3.808 10.270 -8.662) 13.965 2.613 ( -4.490 8.312 -6.145) 11.270 3.256 ( 9.044 4.439 8.029) 12.883 3.409 ( -6.017 -0.427 3.067) 6.767 3.552 ( 3.814 -2.483 -2.269) 5.085 3.619 ( -2.680 -2.073 -6.643) 7.457 4.352 ( 2.730 19.609 4.423) 20.286 4.384 ( -0.340 19.511 3.083) 19.756 5.882 ( 3.132 -2.739 8.955) 9.874 5.932 ( -1.826 -3.592 8.603) 9.500 6.209 ( 1.724 -0.918 6.432) 6.722 6.218 ( 0.845 -0.357 6.565) 6.629 6.598 ( 4.559 2.350 -5.255) 7.343 6.649 ( 0.274 6.819 -3.838) 7.830 6.715 ( 2.294 25.202 6.075) 26.025 6.716 ( 0.871 22.307 2.235) 22.435 7.018 ( 6.671 21.985 -4.585) 23.428 7.066 ( 2.191 22.383 -3.523) 22.764 7.348 ( 9.060 10.769 -1.665) 14.171 7.512 ( 19.321 -1.028 -6.995) 20.574 7.661 ( -14.095 3.452 3.226) 14.866 7.745 ( 9.899 3.148 2.423) 10.666 7.956 ( -12.776 2.098 -2.096) 13.116 7.999 ( -5.916 3.474 -0.631) 6.889 8.441 ( -1.674 -3.265 0.746) 3.744 8.556 ( -9.143 -1.603 -1.421) 9.390 8.792 ( 6.938 -0.841 3.052) 7.627 8.945 ( 0.048 -3.897 -0.761) 3.971 9.030 ( -8.540 -1.853 -3.114) 9.277 9.090 ( -7.557 -3.801 -2.607) 8.852 20.310 ( 0.595 4.840 1.657) 5.150 20.327 ( -1.047 4.184 1.173) 4.470 20.423 ( 0.901 4.231 -0.335) 4.339 20.444 ( -1.161 3.869 -1.151) 4.201 20.606 ( 2.517 -0.691 2.791) 3.822 20.655 ( -2.292 -1.117 2.659) 3.684 20.793 ( 1.779 -5.163 -4.169) 6.870 20.828 ( -1.626 -4.679 -3.784) 6.233 24.968 ( 14.203 -0.449 0.519) 14.220 25.028 ( 13.323 -2.112 -2.246) 13.675 25.244 ( -12.502 -0.424 0.397) 12.516 25.286 ( -11.720 -1.428 -1.460) 11.896 32.549 ( 0.136 -3.720 0.256) 3.731 32.553 ( -0.286 -3.456 0.093) 3.469 32.613 ( -0.023 -4.456 -0.565) 4.492 32.614 ( -0.046 -4.666 -0.592) 4.704 43.476 ( 14.508 15.120 2.344) 21.085 43.650 ( 5.126 12.849 -4.928) 14.685 43.871 ( -5.797 16.253 0.397) 17.261 43.999 ( -10.579 14.113 -4.849) 18.292 44.930 ( 14.022 -2.634 13.069) 19.349 45.284 ( -9.067 -1.259 11.135) 14.415 45.383 ( 8.097 -9.547 2.509) 12.768 45.858 ( -26.505 -11.754 -5.975) 29.604 ======================= Grid point 225 (76/120) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.000 12.192 12.373) 17.371 1.674 ( 0.000 12.340 3.024) 12.705 2.235 ( 0.000 4.552 -9.581) 10.607 2.268 ( 0.000 2.289 -13.292) 13.488 2.484 ( 0.000 -3.729 3.311) 4.987 2.740 ( 0.000 -3.313 -3.529) 4.840 2.813 ( 0.000 4.564 -2.444) 5.177 2.913 ( 0.000 0.774 -6.502) 6.548 3.117 ( 0.000 -5.080 4.840) 7.017 3.268 ( 0.000 24.168 8.182) 25.515 3.429 ( 0.000 -10.153 -7.912) 12.872 3.685 ( 0.000 8.164 -10.683) 13.445 4.455 ( 0.000 19.747 -1.017) 19.773 4.577 ( 0.000 17.401 -5.219) 18.167 5.467 ( 0.000 -1.060 1.107) 1.533 5.494 ( 0.000 -0.765 0.378) 0.853 5.640 ( 0.000 -4.041 4.092) 5.751 5.645 ( 0.000 -4.367 3.853) 5.824 6.029 ( 0.000 -0.296 11.290) 11.293 6.428 ( 0.000 -6.609 16.506) 17.779 6.436 ( 0.000 -2.774 -3.163) 4.207 6.702 ( 0.000 -9.778 -7.037) 12.046 6.761 ( 0.000 6.608 -6.362) 9.173 7.022 ( 0.000 -4.225 -9.593) 10.482 7.361 ( 0.000 36.561 5.306) 36.944 7.599 ( 0.000 30.039 -4.494) 30.373 7.819 ( 0.000 15.624 9.070) 18.066 8.055 ( 0.000 24.813 -0.898) 24.829 8.300 ( 0.000 -4.275 5.238) 6.761 8.597 ( 0.000 4.143 -5.929) 7.233 8.955 ( 0.000 3.260 1.424) 3.558 9.109 ( 0.000 -2.469 -3.118) 3.978 9.128 ( 0.000 5.490 -0.378) 5.503 9.143 ( 0.000 4.187 -3.413) 5.402 9.501 ( 0.000 -1.160 6.228) 6.335 9.749 ( 0.000 -4.158 -4.595) 6.197 20.294 ( 0.000 -3.917 1.538) 4.208 20.450 ( 0.000 -2.701 -2.073) 3.405 20.501 ( 0.000 3.546 1.393) 3.810 20.552 ( 0.000 2.477 -0.525) 2.532 20.603 ( 0.000 3.599 -1.487) 3.894 20.611 ( 0.000 4.930 0.600) 4.966 20.747 ( 0.000 -0.342 1.904) 1.934 20.804 ( 0.000 -4.455 -1.286) 4.637 24.143 ( 0.000 -0.144 0.230) 0.271 24.154 ( 0.000 -0.365 -0.220) 0.427 25.770 ( 0.000 -0.101 0.383) 0.397 25.791 ( 0.000 -0.558 -0.510) 0.757 32.443 ( 0.000 -3.790 1.386) 4.036 32.506 ( 0.000 -4.530 -1.229) 4.694 32.525 ( 0.000 -3.546 1.136) 3.724 32.574 ( 0.000 -4.545 -0.971) 4.648 42.943 ( 0.000 10.390 5.775) 11.887 43.171 ( 0.000 6.193 -2.999) 6.881 44.014 ( 0.000 -2.785 3.526) 4.493 44.162 ( 0.000 -3.859 -0.828) 3.947 44.717 ( 0.000 5.323 0.500) 5.346 45.197 ( 0.000 6.906 -16.572) 17.953 47.131 ( 0.000 -11.129 10.627) 15.388 47.362 ( 0.000 -7.807 1.457) 7.942 ======================= Grid point 226 (77/120) ======================= q-point: ( 0.11 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 1.231 12.861 6.496) 14.461 1.776 ( 7.460 9.628 4.370) 12.940 2.187 ( -2.528 4.712 -10.498) 11.781 2.325 ( 3.238 1.486 -10.573) 11.157 2.470 ( -0.974 -2.763 1.402) 3.248 2.704 ( -3.887 -3.450 -5.724) 7.732 2.794 ( -1.182 4.167 -0.176) 4.335 2.908 ( -0.605 3.796 -4.131) 5.643 3.149 ( 2.902 -4.452 4.407) 6.904 3.270 ( 0.377 20.268 7.336) 21.558 3.446 ( 1.274 -8.252 -6.346) 10.488 3.694 ( 0.764 7.382 -10.231) 12.639 4.492 ( 3.507 19.965 -0.535) 20.278 4.612 ( 3.224 17.717 -4.544) 18.572 5.538 ( 5.053 -1.057 2.830) 5.887 5.588 ( 10.070 -1.990 1.051) 10.318 5.712 ( 7.015 -4.463 2.929) 8.815 5.747 ( 9.541 -3.757 2.827) 10.637 6.035 ( 0.950 -0.094 11.069) 11.110 6.402 ( -0.998 -4.760 6.121) 7.818 6.471 ( 2.246 -5.022 3.437) 6.487 6.716 ( 1.767 -8.211 -5.502) 10.041 6.812 ( 4.752 4.084 -5.522) 8.352 7.044 ( 2.336 -2.889 -8.747) 9.503 7.370 ( 0.964 36.040 4.977) 36.395 7.600 ( 0.112 29.926 -4.462) 30.257 7.831 ( 1.173 15.727 7.984) 17.676 8.040 ( -1.393 24.893 -0.824) 24.945 8.318 ( 1.548 -3.804 4.817) 6.330 8.574 ( -2.223 4.159 -5.238) 7.048 8.895 ( -5.787 3.353 1.895) 6.951 9.059 ( -4.831 2.671 -2.461) 6.044 9.069 ( -6.233 1.746 0.537) 6.495 9.111 ( -2.588 2.861 -4.482) 5.914 9.454 ( -4.487 -1.185 5.674) 7.330 9.687 ( -6.090 -4.119 -4.455) 8.597 20.300 ( 0.568 -3.671 1.453) 3.989 20.443 ( -0.703 -1.763 -1.628) 2.501 20.499 ( -0.160 3.466 1.148) 3.654 20.550 ( -0.276 1.182 -1.097) 1.636 20.600 ( 0.031 4.530 -0.313) 4.541 20.618 ( 0.572 4.202 -0.290) 4.250 20.739 ( -0.722 -0.187 2.028) 2.161 20.801 ( -0.270 -4.198 -1.298) 4.403 24.220 ( 6.948 -0.506 -0.093) 6.967 24.222 ( 6.932 -0.514 -0.158) 6.953 25.736 ( -3.380 -0.110 0.371) 3.402 25.757 ( -3.380 -0.564 -0.527) 3.467 32.446 ( 0.295 -3.785 1.342) 4.026 32.507 ( -0.013 -4.352 -1.051) 4.477 32.521 ( -0.314 -3.641 0.900) 3.764 32.565 ( -0.804 -4.403 -0.872) 4.560 43.008 ( 6.304 10.842 5.595) 13.734 43.232 ( 5.965 6.734 -3.062) 9.503 44.044 ( 2.951 -2.348 3.833) 5.377 44.213 ( 4.943 -3.831 -1.742) 6.492 44.688 ( -2.808 4.921 0.774) 5.718 45.147 ( -4.818 6.787 -15.556) 17.643 46.999 ( -12.689 -10.779 9.203) 19.023 47.149 ( -20.081 -4.901 3.841) 21.024 ======================= Grid point 227 (78/120) ======================= q-point: ( 0.22 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 5.700 11.468 0.715) 12.826 1.919 ( 6.017 6.183 -0.447) 8.639 2.146 ( -1.491 3.846 -7.723) 8.756 2.371 ( 0.984 0.149 -6.735) 6.808 2.466 ( 0.714 -0.157 -4.594) 4.652 2.607 ( -4.747 -0.966 -5.707) 7.486 2.755 ( -2.973 4.329 1.808) 5.554 2.886 ( -1.777 5.496 -2.973) 6.496 3.215 ( 3.237 3.786 5.455) 7.387 3.302 ( 3.210 6.197 4.785) 8.462 3.466 ( 0.562 -3.776 -2.816) 4.744 3.703 ( -0.312 5.101 -8.526) 9.940 4.585 ( 5.334 20.300 0.879) 21.007 4.692 ( 4.194 18.413 -2.496) 19.049 5.651 ( 5.797 -2.144 3.684) 7.195 5.801 ( 5.971 -6.061 -1.838) 8.704 5.909 ( 13.720 -0.835 5.877) 14.949 6.016 ( 14.929 -1.070 6.491) 16.314 6.088 ( 5.841 -1.693 8.267) 10.263 6.406 ( 1.900 -3.773 0.886) 4.317 6.530 ( 3.369 -6.851 -0.368) 7.643 6.796 ( 6.943 -9.189 -5.079) 12.588 6.950 ( 8.977 3.575 -2.154) 9.900 7.128 ( 6.398 1.235 -6.164) 8.970 7.402 ( 2.279 33.548 3.917) 33.852 7.603 ( 0.185 29.431 -4.291) 29.743 7.866 ( 2.140 15.729 4.951) 16.628 8.002 ( -2.191 24.908 -0.444) 25.008 8.340 ( -0.383 -1.919 3.368) 3.895 8.499 ( -6.017 3.223 -3.849) 7.837 8.739 ( -8.300 2.697 2.854) 9.182 8.887 ( -10.474 5.129 -0.485) 11.672 8.936 ( -7.471 1.363 0.305) 7.601 9.032 ( -5.165 1.365 -4.185) 6.786 9.330 ( -7.333 -1.171 3.912) 8.393 9.509 ( -11.150 -3.791 -3.923) 12.413 20.316 ( 0.945 -2.878 1.155) 3.242 20.424 ( -1.077 -0.329 -1.037) 1.531 20.494 ( -0.358 3.262 0.707) 3.357 20.538 ( -0.843 0.018 -1.604) 1.812 20.607 ( 0.539 5.298 0.742) 5.377 20.637 ( 1.355 2.322 -1.045) 2.884 20.721 ( -1.015 0.286 2.196) 2.436 20.792 ( -0.599 -3.556 -1.347) 3.849 24.406 ( 11.443 -0.445 0.132) 11.452 24.426 ( 12.326 -1.452 -0.828) 12.439 25.633 ( -6.691 -0.161 0.315) 6.701 25.654 ( -6.754 -0.600 -0.559) 6.804 32.454 ( 0.452 -3.749 1.210) 3.965 32.502 ( -0.449 -3.540 -0.025) 3.568 32.516 ( -0.061 -4.275 -0.219) 4.281 32.546 ( -0.939 -4.155 -0.702) 4.317 43.194 ( 11.840 12.072 4.915) 17.608 43.406 ( 11.020 8.211 -3.365) 14.149 44.132 ( 5.602 -0.586 4.519) 7.221 44.346 ( 7.032 -1.391 -4.863) 8.663 44.620 ( -2.640 1.686 2.369) 3.927 45.013 ( -7.932 5.913 -12.444) 15.898 46.602 ( -30.449 -0.137 8.567) 31.632 46.649 ( -22.949 -9.670 5.666) 25.540 ======================= Grid point 228 (79/120) ======================= q-point: ( 0.33 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 8.211 8.668 -3.910) 12.564 2.017 ( 4.039 3.785 -5.787) 8.008 2.119 ( -1.526 1.756 -4.913) 5.436 2.354 ( -3.440 -0.914 -7.784) 8.560 2.464 ( -0.597 3.754 -4.139) 5.620 2.566 ( 0.939 2.255 -3.912) 4.612 2.682 ( -3.598 5.256 1.134) 6.470 2.830 ( -3.733 4.944 -3.998) 7.373 3.286 ( 3.940 6.713 6.236) 9.974 3.388 ( 4.577 -1.196 2.876) 5.536 3.468 ( -0.255 -0.494 0.245) 0.608 3.673 ( -2.664 2.535 -5.630) 6.725 4.692 ( 4.825 20.378 2.405) 21.079 4.766 ( 2.839 19.246 0.212) 19.456 5.752 ( 4.002 -3.027 2.129) 5.451 5.862 ( 1.082 -4.816 -1.200) 5.080 6.104 ( 4.725 -2.669 9.006) 10.515 6.147 ( 3.309 -0.536 10.463) 10.987 6.419 ( 13.089 -3.021 -2.769) 13.716 6.528 ( 13.958 0.149 0.200) 13.960 6.592 ( 4.454 -8.141 1.272) 9.366 7.020 ( 14.946 -8.108 -8.595) 19.052 7.167 ( 11.445 7.257 2.208) 13.730 7.298 ( 9.004 11.826 -0.859) 14.889 7.480 ( 6.510 22.024 0.379) 22.969 7.606 ( 0.063 27.807 -3.680) 28.050 7.903 ( 0.384 15.625 1.362) 15.689 7.968 ( -0.586 21.870 0.366) 21.881 8.239 ( -9.843 3.789 1.044) 10.599 8.290 ( -13.954 0.304 -3.069) 14.291 8.586 ( -9.332 0.910 3.147) 9.891 8.732 ( -2.702 5.894 -1.242) 6.601 8.765 ( -8.284 -0.877 2.588) 8.723 8.926 ( -4.022 1.657 -2.950) 5.256 9.176 ( -7.497 -1.023 1.491) 7.712 9.255 ( -13.232 -2.248 -2.462) 13.645 20.337 ( 1.059 -1.559 0.631) 1.988 20.401 ( -1.131 0.522 -0.707) 1.432 20.487 ( -0.189 2.495 0.194) 2.509 20.519 ( -0.999 -0.010 -1.468) 1.776 20.621 ( 0.928 4.987 1.496) 5.289 20.672 ( 1.949 0.527 -1.476) 2.501 20.699 ( -1.166 0.953 2.190) 2.658 20.776 ( -1.039 -2.767 -1.452) 3.293 24.668 ( 14.068 -0.446 0.275) 14.078 24.700 ( 14.288 -1.801 -1.171) 14.449 25.465 ( -9.884 -0.265 0.223) 9.890 25.485 ( -9.878 -0.748 -0.614) 9.926 32.463 ( 0.448 -3.644 1.005) 3.806 32.491 ( -0.587 -3.242 0.446) 3.324 32.517 ( 0.078 -4.427 -0.679) 4.480 32.530 ( -0.566 -4.052 -0.627) 4.139 43.473 ( 15.305 13.506 3.302) 20.678 43.662 ( 13.667 10.031 -4.228) 17.473 44.243 ( 3.206 5.537 3.592) 7.338 44.376 ( -3.992 8.016 -5.297) 10.405 44.691 ( 8.253 -6.363 2.136) 10.638 44.887 ( -0.167 -0.306 -6.328) 6.337 45.939 ( -32.989 3.290 12.090) 35.288 46.149 ( -26.245 -10.415 1.521) 28.277 ======================= Grid point 229 (80/120) ======================= q-point: ( 0.44 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 7.273 5.478 -6.416) 11.139 2.069 ( -3.624 2.300 -4.745) 6.398 2.106 ( 5.225 1.907 -8.522) 10.177 2.237 ( -7.039 -0.174 -8.907) 11.354 2.488 ( 2.654 6.520 0.276) 7.045 2.553 ( -3.125 5.065 1.068) 6.047 2.668 ( 2.744 3.625 -5.125) 6.851 2.745 ( -4.302 3.882 -5.200) 7.786 3.366 ( 3.637 4.436 5.292) 7.805 3.423 ( -1.706 2.483 3.731) 4.796 3.506 ( 4.528 -1.752 -0.093) 4.855 3.600 ( -4.328 0.152 -2.515) 5.008 4.770 ( 2.749 20.249 3.071) 20.664 4.797 ( 0.109 19.928 2.327) 20.063 5.817 ( 2.617 -3.470 0.383) 4.363 5.858 ( -1.301 -3.817 -0.718) 4.096 6.159 ( 1.628 -2.816 8.787) 9.370 6.177 ( -0.053 -2.463 8.494) 8.844 6.546 ( 3.499 -5.442 -2.830) 7.062 6.587 ( -0.737 -6.225 -3.455) 7.158 7.001 ( 21.861 5.689 5.430) 23.232 7.264 ( -0.724 14.603 3.329) 14.995 7.380 ( 12.441 7.875 -6.190) 15.972 7.456 ( 7.658 8.392 2.226) 11.577 7.584 ( -0.022 21.134 -2.503) 21.282 7.687 ( 8.513 9.622 -3.088) 13.213 7.791 ( -11.288 11.252 -1.314) 15.992 7.926 ( -9.395 11.467 -3.549) 15.244 8.018 ( -2.125 8.781 2.835) 9.469 8.129 ( -2.202 8.544 1.689) 8.983 8.401 ( -3.713 0.079 -0.375) 3.733 8.535 ( -11.636 -0.255 -2.980) 12.014 8.801 ( 5.601 1.371 1.737) 6.022 8.896 ( -0.607 0.318 -1.731) 1.861 9.020 ( -7.287 0.260 0.791) 7.335 9.041 ( -5.855 0.859 0.108) 5.919 20.358 ( 1.036 -0.164 0.046) 1.050 20.379 ( -1.059 0.615 -0.405) 1.290 20.489 ( 0.322 1.360 -0.400) 1.453 20.500 ( -0.797 0.453 -1.011) 1.365 20.644 ( 1.300 3.823 1.962) 4.490 20.672 ( -1.356 2.564 2.186) 3.632 20.713 ( 1.956 -1.162 -1.645) 2.808 20.750 ( -1.561 -1.975 -1.584) 2.975 24.959 ( 14.304 -0.389 0.256) 14.311 24.989 ( 13.986 -1.557 -1.085) 14.114 25.236 ( -12.650 -0.362 0.210) 12.657 25.259 ( -12.352 -1.126 -0.788) 12.429 32.471 ( 0.414 -3.473 0.774) 3.583 32.480 ( -0.475 -3.308 0.589) 3.394 32.519 ( 0.119 -4.293 -0.678) 4.348 32.522 ( -0.248 -4.139 -0.639) 4.195 43.783 ( 14.082 13.714 0.242) 19.658 43.907 ( 6.966 11.403 -5.007) 14.270 44.178 ( -4.306 12.008 -0.712) 12.777 44.273 ( -7.961 11.634 -4.543) 14.811 44.873 ( 15.097 -2.844 9.035) 17.822 45.142 ( 20.344 -10.126 -3.012) 22.924 45.318 ( -27.269 1.587 12.735) 30.138 45.617 ( -25.563 -10.547 -1.592) 27.699 ======================= Grid point 234 (81/120) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.000 11.565 6.904) 13.469 1.918 ( 0.000 10.504 -4.189) 11.308 2.286 ( 0.000 -0.934 -2.782) 2.934 2.294 ( 0.000 0.050 -10.220) 10.220 2.430 ( 0.000 -0.222 -2.041) 2.053 2.608 ( 0.000 -7.797 -6.258) 9.998 2.884 ( 0.000 2.517 -2.330) 3.430 2.930 ( 0.000 0.285 -4.435) 4.444 3.035 ( 0.000 -1.659 0.746) 1.819 3.224 ( 0.000 -9.216 -5.976) 10.984 3.674 ( 0.000 14.069 4.934) 14.909 3.827 ( 0.000 4.655 -2.684) 5.374 4.851 ( 0.000 18.069 -2.212) 18.204 4.935 ( 0.000 16.621 -3.690) 17.026 5.444 ( 0.000 -6.659 -0.141) 6.660 5.461 ( 0.000 -1.525 -0.517) 1.610 5.527 ( 0.000 -5.353 2.235) 5.801 5.541 ( 0.000 -2.975 1.636) 3.395 6.072 ( 0.000 4.281 10.156) 11.021 6.307 ( 0.000 -3.888 11.470) 12.111 6.349 ( 0.000 -5.652 4.193) 7.038 6.473 ( 0.000 -11.191 -3.701) 11.787 6.866 ( 0.000 3.511 -9.753) 10.366 6.948 ( 0.000 -2.398 -12.330) 12.561 7.945 ( 0.000 15.847 7.106) 17.368 8.068 ( 0.000 11.375 1.611) 11.489 8.068 ( 0.000 12.408 5.221) 13.462 8.229 ( 0.000 1.424 -0.228) 1.443 8.495 ( 0.000 14.652 5.348) 15.597 8.689 ( 0.000 2.905 0.047) 2.905 9.016 ( 0.000 2.898 0.011) 2.898 9.078 ( 0.000 -0.482 -1.494) 1.570 9.244 ( 0.000 4.855 -5.173) 7.094 9.247 ( 0.000 5.128 -2.566) 5.734 9.503 ( 0.000 1.515 3.312) 3.642 9.657 ( 0.000 -4.682 -3.187) 5.663 20.243 ( 0.000 -0.974 -1.325) 1.644 20.334 ( 0.000 -5.307 -4.537) 6.982 20.546 ( 0.000 0.953 0.165) 0.967 20.586 ( 0.000 -0.416 -1.305) 1.370 20.674 ( 0.000 2.161 1.934) 2.900 20.714 ( 0.000 4.528 1.488) 4.766 20.740 ( 0.000 -0.983 1.441) 1.744 20.778 ( 0.000 1.960 1.989) 2.792 24.142 ( 0.000 -0.026 0.124) 0.126 24.147 ( 0.000 -0.290 -0.114) 0.311 25.769 ( 0.000 0.061 0.187) 0.197 25.780 ( 0.000 -0.461 -0.279) 0.539 32.385 ( 0.000 -1.610 1.064) 1.930 32.424 ( 0.000 -3.233 -0.523) 3.275 32.465 ( 0.000 -1.957 0.582) 2.042 32.491 ( 0.000 -3.166 -0.541) 3.212 43.134 ( 0.000 7.606 4.569) 8.872 43.258 ( 0.000 1.924 -0.014) 1.924 43.980 ( 0.000 -0.228 4.171) 4.177 44.078 ( 0.000 -4.008 2.515) 4.732 44.842 ( 0.000 7.390 -7.218) 10.330 45.203 ( 0.000 -5.650 -20.026) 20.808 47.026 ( 0.000 0.577 12.922) 12.935 47.225 ( 0.000 -6.022 3.861) 7.154 ======================= Grid point 235 (82/120) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.873 11.792 2.374) 12.060 1.966 ( 3.776 8.185 -2.833) 9.449 2.245 ( -2.756 0.099 -5.716) 6.346 2.321 ( 1.413 -1.908 -8.406) 8.734 2.440 ( 1.027 0.562 -2.725) 2.966 2.591 ( -1.458 -6.080 -6.145) 8.767 2.870 ( -0.901 3.191 -0.315) 3.331 2.978 ( 3.345 2.617 -3.819) 5.712 3.031 ( 0.482 -4.330 1.519) 4.614 3.242 ( 1.345 -8.805 -5.408) 10.421 3.665 ( -0.800 13.559 5.059) 14.494 3.824 ( -0.468 4.198 -2.465) 4.890 4.893 ( 3.932 18.337 -1.934) 18.854 4.975 ( 3.663 16.970 -3.209) 17.655 5.476 ( 3.141 -7.200 0.277) 7.860 5.517 ( 5.234 -6.438 -1.093) 8.369 5.635 ( 11.149 -1.112 1.533) 11.309 5.665 ( 10.856 -2.688 1.641) 11.304 6.083 ( 1.230 4.354 10.460) 11.397 6.286 ( -1.092 -4.290 8.222) 9.338 6.373 ( 1.649 -5.159 4.129) 6.811 6.485 ( 1.303 -11.993 -2.299) 12.281 6.899 ( 3.649 3.550 -9.389) 10.681 6.993 ( 4.381 -1.786 -10.912) 11.894 7.950 ( 0.479 16.332 6.687) 17.655 8.064 ( -0.117 11.885 2.413) 12.128 8.084 ( 1.259 11.810 4.032) 12.543 8.243 ( 1.228 0.925 -0.345) 1.576 8.485 ( -1.011 14.169 5.275) 15.153 8.665 ( -2.528 2.901 -0.155) 3.851 8.958 ( -5.577 3.033 0.721) 6.389 9.036 ( -4.340 -0.858 0.019) 4.424 9.190 ( -4.888 6.072 -4.350) 8.927 9.209 ( -3.710 4.797 -4.759) 7.709 9.455 ( -4.600 1.355 3.122) 5.722 9.598 ( -5.698 -4.408 -2.965) 7.790 20.251 ( 0.805 -0.934 -1.281) 1.778 20.340 ( 0.545 -5.062 -4.406) 6.734 20.535 ( -1.049 0.534 -0.044) 1.178 20.570 ( -1.434 -0.516 -1.243) 1.966 20.685 ( 0.847 2.319 1.825) 3.070 20.715 ( 0.125 4.639 1.687) 4.938 20.743 ( 0.285 -0.847 1.258) 1.543 20.772 ( -0.463 2.024 1.986) 2.873 24.212 ( 6.773 -0.233 0.007) 6.777 24.214 ( 6.493 -0.284 -0.073) 6.500 25.735 ( -3.394 0.061 0.181) 3.400 25.746 ( -3.389 -0.464 -0.290) 3.433 32.388 ( 0.291 -1.622 1.033) 1.945 32.426 ( 0.182 -3.188 -0.513) 3.234 32.461 ( -0.368 -1.950 0.550) 2.060 32.485 ( -0.562 -3.049 -0.477) 3.137 43.206 ( 7.051 7.877 4.425) 11.461 43.328 ( 6.900 2.277 -0.092) 7.267 44.017 ( 3.622 0.003 4.224) 5.564 44.125 ( 4.645 -4.312 2.056) 6.664 44.807 ( -3.471 7.144 -6.934) 10.544 45.156 ( -4.583 -5.366 -19.141) 20.400 46.894 ( -12.724 0.281 12.079) 17.547 47.058 ( -16.051 -4.414 4.643) 17.282 ======================= Grid point 236 (83/120) ======================= q-point: ( 0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 3.313 10.371 -2.420) 11.153 2.040 ( 3.179 5.149 -4.658) 7.636 2.185 ( -2.882 0.079 -6.636) 7.235 2.337 ( -0.273 -3.898 -10.508) 11.211 2.473 ( 2.151 1.474 -3.277) 4.188 2.566 ( -0.515 -2.299 -4.719) 5.275 2.845 ( -2.055 4.243 2.045) 5.139 2.968 ( -2.958 1.881 -2.085) 4.078 3.128 ( 7.116 -3.666 1.219) 8.097 3.274 ( 2.174 -6.832 -3.055) 7.793 3.642 ( -1.545 11.430 5.330) 12.706 3.797 ( -2.376 3.002 -1.464) 4.099 4.994 ( 5.607 18.756 -1.162) 19.610 5.062 ( 4.505 17.100 -1.752) 17.770 5.565 ( 5.280 -7.139 -1.059) 8.942 5.638 ( 5.446 -9.891 -4.012) 11.983 5.905 ( 13.031 0.892 5.508) 14.175 5.983 ( 19.969 -0.769 2.972) 20.204 6.126 ( 3.120 4.040 10.193) 11.400 6.292 ( 2.405 -5.035 4.149) 6.953 6.407 ( 1.748 -5.413 0.439) 5.705 6.549 ( 6.560 -12.769 -2.073) 14.504 7.029 ( 9.463 3.784 -6.585) 12.134 7.127 ( 9.074 -0.701 -8.299) 12.317 7.958 ( -0.002 16.804 5.926) 17.819 8.058 ( -0.602 12.336 1.894) 12.495 8.119 ( 2.192 10.808 3.499) 11.570 8.268 ( 0.833 0.979 -0.779) 1.503 8.448 ( -3.137 11.598 4.151) 12.712 8.570 ( -7.711 2.500 -1.198) 8.194 8.805 ( -8.721 3.510 2.631) 9.763 8.900 ( -8.696 -1.251 2.956) 9.269 9.060 ( -7.646 7.675 -4.284) 11.649 9.113 ( -5.214 5.092 -6.453) 9.735 9.330 ( -7.306 1.088 2.457) 7.785 9.438 ( -9.600 -3.154 -2.182) 10.337 20.275 ( 1.480 -0.796 -1.194) 2.062 20.355 ( 0.885 -4.231 -4.003) 5.891 20.506 ( -1.662 -0.428 -0.509) 1.790 20.536 ( -1.834 -0.939 -1.448) 2.518 20.702 ( 0.803 2.791 1.878) 3.458 20.720 ( 0.291 4.374 1.826) 4.749 20.748 ( 0.056 0.263 1.342) 1.369 20.763 ( -0.330 1.638 1.701) 2.385 24.398 ( 11.447 -0.239 0.029) 11.450 24.405 ( 11.799 -0.654 -0.246) 11.819 25.632 ( -6.761 0.036 0.152) 6.763 25.643 ( -6.796 -0.474 -0.309) 6.820 32.396 ( 0.468 -1.648 0.947) 1.958 32.431 ( 0.272 -3.046 -0.478) 3.095 32.452 ( -0.575 -1.944 0.494) 2.087 32.471 ( -0.720 -2.827 -0.358) 2.939 43.413 ( 13.058 8.596 3.798) 16.089 43.529 ( 12.633 3.279 -0.504) 13.062 44.130 ( 7.631 0.805 4.490) 8.890 44.267 ( 9.434 -4.965 0.956) 10.704 44.705 ( -6.397 6.350 -6.090) 10.878 45.024 ( -8.196 -4.666 -16.539) 19.039 46.531 ( -22.512 -0.655 9.836) 24.576 46.608 ( -27.294 -0.972 6.316) 28.032 ======================= Grid point 237 (84/120) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 5.005 7.519 -6.087) 10.892 2.092 ( 2.012 3.177 -6.439) 7.457 2.139 ( -1.560 0.495 -7.423) 7.601 2.300 ( -3.221 -3.974 -11.297) 12.401 2.523 ( 2.752 2.282 -3.110) 4.739 2.583 ( 2.185 -0.284 -3.754) 4.353 2.778 ( -4.259 4.107 1.150) 6.027 2.884 ( -5.095 0.330 -3.481) 6.179 3.276 ( 7.157 -1.514 2.491) 7.727 3.346 ( 5.096 -3.600 0.560) 6.265 3.597 ( -2.990 8.024 5.361) 10.103 3.724 ( -4.838 1.566 0.218) 5.089 5.101 ( 4.603 18.770 -0.114) 19.326 5.145 ( 3.429 17.021 -0.321) 17.366 5.662 ( 3.837 -6.489 -3.199) 8.189 5.719 ( 2.566 -9.468 -5.705) 11.348 6.078 ( 4.340 1.299 10.622) 11.548 6.159 ( 1.232 1.986 10.058) 10.326 6.338 ( 5.673 -4.674 0.871) 7.401 6.397 ( 3.537 -10.190 2.578) 11.090 6.550 ( 22.424 2.608 -0.127) 22.576 6.820 ( 20.063 -9.770 -5.874) 23.076 7.278 ( 14.544 4.274 -2.677) 15.393 7.366 ( 14.186 0.389 -5.355) 15.169 7.928 ( -4.094 14.050 5.740) 15.720 8.027 ( -3.139 11.654 2.608) 12.348 8.152 ( -1.021 9.308 0.612) 9.384 8.242 ( -5.992 1.991 -2.573) 6.818 8.339 ( -7.407 5.657 0.620) 9.341 8.357 ( -8.314 5.911 -0.247) 10.204 8.631 ( -9.464 3.102 3.731) 10.636 8.722 ( -8.262 -2.344 3.528) 9.284 8.904 ( -6.070 9.528 -3.084) 11.711 9.022 ( -3.249 6.129 -5.599) 8.914 9.175 ( -7.752 0.942 1.925) 8.042 9.242 ( -8.744 0.228 -0.729) 8.777 20.309 ( 1.894 -0.504 -1.147) 2.271 20.373 ( 0.765 -2.526 -3.249) 4.186 20.472 ( -1.610 -1.816 -1.122) 2.674 20.499 ( -1.770 -1.729 -1.875) 3.104 20.716 ( 0.548 3.329 2.065) 3.956 20.727 ( 0.455 3.407 1.741) 3.853 20.745 ( -0.259 2.108 1.837) 2.808 20.760 ( -0.113 0.874 1.112) 1.419 24.661 ( 14.105 -0.195 0.081) 14.106 24.672 ( 14.230 -0.883 -0.410) 14.264 25.462 ( -9.991 -0.040 0.096) 9.992 25.472 ( -10.040 -0.513 -0.323) 10.058 32.406 ( 0.507 -1.672 0.827) 1.933 32.435 ( -0.054 -2.357 -0.110) 2.360 32.441 ( -0.271 -2.418 0.183) 2.440 32.458 ( -0.536 -2.711 -0.304) 2.780 43.715 ( 16.048 9.296 2.008) 18.655 43.819 ( 15.239 4.615 -1.831) 16.027 44.323 ( 10.385 3.044 4.530) 11.731 44.501 ( 11.422 -0.914 -2.034) 11.637 44.564 ( -5.009 0.924 -2.452) 5.653 44.851 ( -7.123 -4.612 -11.617) 14.386 45.998 ( -31.747 1.840 7.654) 32.708 46.017 ( -27.571 -2.384 6.820) 28.501 ======================= Grid point 238 (85/120) ======================= q-point: ( 0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 4.070 4.651 -8.392) 10.422 2.111 ( -0.880 1.618 -6.337) 6.599 2.138 ( 2.458 1.166 -9.071) 9.470 2.218 ( -4.609 -1.674 -9.989) 11.128 2.584 ( 3.262 3.312 -1.928) 5.033 2.632 ( 0.741 2.371 -1.898) 3.126 2.704 ( -0.898 0.832 -3.123) 3.354 2.774 ( -5.354 -0.652 -4.780) 7.206 3.410 ( 5.979 1.321 3.893) 7.256 3.469 ( 6.426 -1.108 2.481) 6.977 3.521 ( -4.322 4.221 4.592) 7.588 3.608 ( -6.425 0.105 1.667) 6.638 5.172 ( 2.317 18.273 0.640) 18.430 5.190 ( 0.716 17.603 0.511) 17.625 5.720 ( 2.008 -6.847 -4.884) 8.646 5.743 ( -0.150 -8.103 -5.875) 10.010 6.132 ( 1.811 1.284 9.871) 10.118 6.160 ( -0.877 1.527 9.242) 9.408 6.401 ( 1.674 -7.931 1.148) 8.186 6.417 ( -0.055 -9.518 0.559) 9.534 7.089 ( 26.797 3.948 1.701) 27.140 7.279 ( 22.589 -4.532 -4.687) 23.511 7.508 ( -2.248 4.869 -0.392) 5.377 7.592 ( 1.243 2.132 -1.654) 2.971 7.797 ( -1.244 4.654 2.021) 5.224 7.929 ( -3.673 0.998 1.616) 4.135 7.934 ( -10.846 10.270 -1.769) 15.041 8.089 ( -9.000 5.586 -3.617) 11.193 8.296 ( 0.768 8.048 2.236) 8.388 8.313 ( 0.528 8.705 1.660) 8.877 8.445 ( -4.849 3.198 1.211) 5.934 8.532 ( -9.629 -0.993 -0.764) 9.710 8.882 ( 3.080 7.801 -0.370) 8.395 8.969 ( -3.810 6.135 -3.134) 7.873 9.056 ( -1.637 2.760 2.219) 3.901 9.104 ( -4.954 3.038 0.270) 5.818 20.348 ( 1.854 -0.022 -1.231) 2.226 20.377 ( -0.659 -0.144 -1.921) 2.036 20.451 ( -0.103 -3.521 -2.092) 4.097 20.466 ( -1.333 -2.878 -2.292) 3.913 20.725 ( 0.402 3.335 2.172) 4.000 20.732 ( -0.174 2.848 2.092) 3.538 20.745 ( 0.426 2.341 1.370) 2.746 20.755 ( -0.407 1.439 1.108) 1.862 24.953 ( 14.376 -0.152 0.072) 14.377 24.965 ( 14.305 -0.820 -0.426) 14.335 25.231 ( -12.751 -0.127 0.062) 12.752 25.241 ( -12.701 -0.648 -0.359) 12.723 32.416 ( 0.492 -1.689 0.698) 1.892 32.426 ( -0.516 -1.720 0.561) 1.881 32.444 ( 0.264 -2.849 -0.355) 2.883 32.450 ( -0.346 -2.742 -0.326) 2.783 44.023 ( 13.221 9.261 -1.399) 16.203 44.105 ( 10.462 7.105 -4.437) 13.403 44.341 ( -5.517 4.270 -1.772) 7.198 44.440 ( -8.625 3.165 -5.558) 10.738 44.827 ( 20.802 -0.636 5.795) 21.604 44.964 ( 19.085 -6.668 -0.662) 20.228 45.364 ( -29.670 2.249 7.962) 30.802 45.457 ( -26.848 -4.714 3.522) 27.485 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.018 ( 0.000 -3.727 -1.356) 3.965 2.018 ( 0.000 3.727 -1.356) 3.965 2.261 ( 0.000 -1.825 -3.692) 4.118 2.261 ( 0.000 1.825 -3.692) 4.118 2.475 ( 0.000 -4.182 -5.499) 6.908 2.475 ( 0.000 4.182 -5.499) 6.908 2.921 ( 0.000 -1.121 -3.058) 3.257 2.921 ( 0.000 1.121 -3.058) 3.257 3.070 ( 0.000 -5.044 -3.482) 6.129 3.070 ( 0.000 5.044 -3.482) 6.129 3.848 ( 0.000 -3.176 1.902) 3.702 3.848 ( 0.000 3.176 1.902) 3.702 5.162 ( 0.000 -6.991 -4.355) 8.237 5.162 ( 0.000 6.991 -4.355) 8.237 5.301 ( 0.000 -6.034 0.685) 6.072 5.301 ( 0.000 6.034 0.685) 6.072 5.518 ( 0.000 -0.842 1.530) 1.746 5.518 ( 0.000 0.842 1.530) 1.746 6.201 ( 0.000 -7.928 7.846) 11.154 6.201 ( 0.000 7.928 7.846) 11.154 6.305 ( 0.000 -3.941 3.731) 5.427 6.305 ( 0.000 3.941 3.731) 5.427 6.914 ( 0.000 -1.475 -12.060) 12.149 6.914 ( 0.000 1.475 -12.060) 12.149 8.092 ( 0.000 -3.319 7.730) 8.413 8.092 ( 0.000 3.319 7.730) 8.413 8.273 ( 0.000 -3.092 -0.814) 3.197 8.273 ( 0.000 3.092 -0.814) 3.197 8.683 ( 0.000 -3.986 4.830) 6.262 8.683 ( 0.000 3.986 4.830) 6.262 9.066 ( 0.000 -1.448 -0.639) 1.582 9.066 ( 0.000 1.448 -0.639) 1.582 9.304 ( 0.000 -0.195 -4.715) 4.719 9.304 ( 0.000 0.195 -4.715) 4.719 9.563 ( 0.000 -4.067 -0.475) 4.095 9.563 ( 0.000 4.067 -0.475) 4.095 20.256 ( 0.000 -2.216 -3.373) 4.035 20.256 ( 0.000 2.216 -3.373) 4.035 20.563 ( 0.000 -1.131 -0.862) 1.422 20.563 ( 0.000 1.131 -0.862) 1.422 20.711 ( 0.000 -1.280 1.158) 1.726 20.711 ( 0.000 1.280 1.158) 1.726 20.788 ( 0.000 -1.323 2.955) 3.238 20.788 ( 0.000 1.323 2.955) 3.238 24.143 ( 0.000 -0.140 0.005) 0.140 24.143 ( 0.000 0.140 0.005) 0.140 25.773 ( 0.000 -0.272 -0.039) 0.275 25.773 ( 0.000 0.272 -0.039) 0.275 32.379 ( 0.000 -1.011 0.362) 1.074 32.379 ( 0.000 1.011 0.362) 1.074 32.451 ( 0.000 -0.634 -0.017) 0.634 32.451 ( 0.000 0.634 -0.017) 0.634 43.246 ( 0.000 -3.058 2.613) 4.023 43.246 ( 0.000 3.058 2.613) 4.023 44.006 ( 0.000 -2.621 4.246) 4.989 44.006 ( 0.000 2.621 4.246) 4.989 45.026 ( 0.000 -9.850 -15.482) 18.350 45.026 ( 0.000 9.850 -15.482) 18.350 47.103 ( 0.000 -5.567 8.869) 10.472 47.103 ( 0.000 5.567 8.869) 10.472 ======================= Grid point 245 (87/120) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 0.898 -4.763 -2.033) 5.256 2.028 ( 0.898 4.763 -2.033) 5.256 2.252 ( -0.903 -3.396 -6.406) 7.306 2.252 ( -0.903 3.396 -6.406) 7.306 2.488 ( 1.157 -3.681 -4.609) 6.011 2.488 ( 1.157 3.681 -4.609) 6.011 2.934 ( 1.101 -3.279 -0.385) 3.480 2.934 ( 1.101 3.279 -0.385) 3.480 3.084 ( 1.430 -6.058 -3.933) 7.363 3.084 ( 1.430 6.058 -3.933) 7.363 3.838 ( -1.123 -3.398 2.057) 4.128 3.838 ( -1.123 3.398 2.057) 4.128 5.222 ( 5.416 -9.950 -3.897) 11.980 5.222 ( 5.416 9.950 -3.897) 11.980 5.316 ( 1.890 -9.167 -0.211) 9.362 5.316 ( 1.890 9.167 -0.211) 9.362 5.641 ( 11.703 -0.656 1.774) 11.854 5.641 ( 11.703 0.656 1.774) 11.854 6.208 ( 0.685 -6.859 7.087) 9.887 6.208 ( 0.685 6.859 7.087) 9.887 6.307 ( 0.432 -2.830 3.681) 4.663 6.307 ( 0.432 2.830 3.681) 4.663 6.957 ( 4.329 -2.101 -11.091) 12.089 6.957 ( 4.329 2.101 -11.091) 12.089 8.104 ( 1.113 -3.273 7.515) 8.272 8.104 ( 1.113 3.273 7.515) 8.272 8.275 ( 0.171 -3.038 -0.788) 3.143 8.275 ( 0.171 3.038 -0.788) 3.143 8.663 ( -2.127 -3.573 4.297) 5.979 8.663 ( -2.127 3.573 4.297) 5.979 9.015 ( -5.074 -1.886 0.337) 5.424 9.015 ( -5.074 1.886 0.337) 5.424 9.264 ( -3.707 -0.308 -5.236) 6.423 9.264 ( -3.707 0.308 -5.236) 6.423 9.510 ( -5.070 -3.802 -0.358) 6.347 9.510 ( -5.070 3.802 -0.358) 6.347 20.264 ( 0.806 -2.172 -3.287) 4.022 20.264 ( 0.806 2.172 -3.287) 4.022 20.547 ( -1.458 -1.022 -0.968) 2.027 20.547 ( -1.458 1.022 -0.968) 2.027 20.721 ( 0.846 -1.135 1.234) 1.878 20.721 ( 0.846 1.135 1.234) 1.878 20.785 ( -0.251 -1.186 2.865) 3.110 20.785 ( -0.251 1.186 2.865) 3.110 24.210 ( 6.546 -0.062 -0.012) 6.546 24.210 ( 6.546 0.062 -0.012) 6.546 25.738 ( -3.394 -0.276 -0.045) 3.406 25.738 ( -3.394 0.276 -0.045) 3.406 32.382 ( 0.253 -0.984 0.349) 1.074 32.382 ( 0.253 0.984 0.349) 1.074 32.446 ( -0.403 -0.581 0.004) 0.707 32.446 ( -0.403 0.581 0.004) 0.707 43.321 ( 7.303 -3.027 2.521) 8.297 43.321 ( 7.303 3.027 2.521) 8.297 44.047 ( 4.078 -2.867 4.047) 6.421 44.047 ( 4.078 2.867 4.047) 6.421 44.985 ( -3.989 -9.565 -14.931) 18.175 44.985 ( -3.989 9.565 -14.931) 18.175 46.960 ( -13.808 -4.750 8.750) 17.023 46.960 ( -13.808 4.750 8.750) 17.023 ======================= Grid point 247 (88/120) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 1.381 -5.256 -3.608) 6.523 2.052 ( 1.381 5.256 -3.608) 6.523 2.229 ( -1.286 -5.324 -10.262) 11.632 2.229 ( -1.286 5.324 -10.262) 11.632 2.518 ( 1.770 -2.402 -3.692) 4.747 2.518 ( 1.770 2.402 -3.692) 4.747 2.933 ( -2.098 -4.056 0.885) 4.651 2.933 ( -2.098 4.056 0.885) 4.651 3.147 ( 5.233 -4.664 -1.716) 7.217 3.147 ( 5.233 4.664 -1.716) 7.217 3.797 ( -3.040 -3.499 2.670) 5.349 3.797 ( -3.040 3.499 2.670) 5.349 5.336 ( 4.663 -11.972 -1.213) 12.906 5.336 ( 4.663 11.972 -1.213) 12.906 5.393 ( 5.754 -11.911 -3.766) 13.753 5.393 ( 5.754 11.911 -3.766) 13.753 5.952 ( 16.811 -2.675 4.021) 17.491 5.952 ( 16.811 2.675 4.021) 17.491 6.228 ( 1.257 -3.691 5.488) 6.733 6.228 ( 1.257 3.691 5.488) 6.733 6.348 ( 5.332 -3.176 1.479) 6.380 6.348 ( 5.332 3.176 1.479) 6.380 7.095 ( 9.607 -2.436 -8.400) 12.992 7.095 ( 9.607 2.436 -8.400) 12.992 8.127 ( 0.616 -2.971 6.873) 7.513 8.127 ( 0.616 2.971 6.873) 7.513 8.280 ( 0.294 -2.627 -0.595) 2.710 8.280 ( 0.294 2.627 -0.595) 2.710 8.580 ( -6.708 -1.980 1.880) 7.242 8.580 ( -6.708 1.980 1.880) 7.242 8.869 ( -8.755 -2.223 2.722) 9.434 8.869 ( -8.755 2.223 2.722) 9.434 9.167 ( -5.534 -1.462 -5.492) 7.932 9.167 ( -5.534 1.462 -5.492) 7.932 9.373 ( -7.849 -3.002 -0.143) 8.405 9.373 ( -7.849 3.002 -0.143) 8.405 20.287 ( 1.499 -2.032 -3.059) 3.966 20.287 ( 1.499 2.032 -3.059) 3.966 20.510 ( -2.143 -0.936 -1.260) 2.656 20.510 ( -2.143 0.936 -1.260) 2.656 20.740 ( 0.926 -0.917 1.446) 1.947 20.740 ( 0.926 0.917 1.446) 1.947 20.779 ( -0.295 -0.877 2.627) 2.786 20.779 ( -0.295 0.877 2.627) 2.786 24.397 ( 11.542 -0.119 -0.051) 11.543 24.397 ( 11.542 0.119 -0.051) 11.543 25.635 ( -6.795 -0.271 -0.063) 6.801 25.635 ( -6.795 0.271 -0.063) 6.801 32.388 ( 0.405 -0.911 0.313) 1.045 32.388 ( 0.405 0.911 0.313) 1.045 32.436 ( -0.585 -0.491 0.055) 0.766 32.436 ( -0.585 0.491 0.055) 0.766 43.534 ( 13.410 -2.897 2.038) 13.870 43.534 ( 13.410 2.897 2.038) 13.870 44.174 ( 8.579 -3.544 3.750) 10.011 44.174 ( 8.579 3.544 3.750) 10.011 44.869 ( -7.288 -8.821 -13.402) 17.623 44.869 ( -7.288 8.821 -13.402) 17.623 46.566 ( -24.356 -2.741 8.319) 25.883 46.566 ( -24.356 2.741 8.319) 25.883 ======================= Grid point 249 (89/120) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 1.867 -3.518 -5.635) 6.900 2.084 ( 1.867 3.518 -5.635) 6.900 2.203 ( -1.346 -4.963 -11.311) 12.425 2.203 ( -1.346 4.963 -11.311) 12.425 2.563 ( 2.818 -1.551 -3.576) 4.810 2.563 ( 2.818 1.551 -3.576) 4.810 2.853 ( -5.262 -2.938 -1.248) 6.154 2.853 ( -5.262 2.938 -1.248) 6.154 3.283 ( 7.590 -2.038 1.889) 8.083 3.283 ( 7.590 2.038 1.889) 8.083 3.713 ( -5.245 -2.956 3.530) 6.979 3.713 ( -5.245 2.956 3.530) 6.979 5.421 ( 3.988 -2.774 -1.178) 4.998 5.421 ( 3.988 2.774 -1.178) 4.998 5.498 ( 3.633 -2.840 -4.489) 6.436 5.498 ( 3.633 2.840 -4.489) 6.436 6.172 ( 4.521 -5.913 6.770) 10.062 6.172 ( 4.521 5.913 6.770) 10.062 6.251 ( 0.697 -2.040 5.550) 5.954 6.251 ( 0.697 2.040 5.550) 5.954 6.646 ( 23.733 -6.712 -3.064) 24.854 6.646 ( 23.733 6.712 -3.064) 24.854 7.347 ( 14.785 -2.190 -4.964) 15.749 7.347 ( 14.785 2.190 -4.964) 15.749 8.088 ( -6.322 -3.246 5.958) 9.274 8.088 ( -6.322 3.246 5.958) 9.274 8.268 ( -3.670 -1.784 -1.648) 4.401 8.268 ( -3.670 1.784 -1.648) 4.401 8.403 ( -7.182 -1.693 -0.172) 7.381 8.403 ( -7.182 1.693 -0.172) 7.381 8.680 ( -9.861 -1.743 3.610) 10.645 8.680 ( -9.861 1.743 3.610) 10.645 9.065 ( -3.638 -3.898 -3.286) 6.263 9.065 ( -3.638 3.898 -3.286) 6.263 9.219 ( -6.901 -2.756 -0.205) 7.434 9.219 ( -6.901 2.756 -0.205) 7.434 20.323 ( 2.000 -1.790 -2.750) 3.843 20.323 ( 2.000 1.790 -2.750) 3.843 20.464 ( -2.382 -1.002 -1.642) 3.062 20.464 ( -2.382 1.002 -1.642) 3.062 20.756 ( 0.637 -0.711 1.717) 1.964 20.756 ( 0.637 0.711 1.717) 1.964 20.774 ( -0.199 -0.601 2.332) 2.417 20.774 ( -0.199 0.601 2.332) 2.417 24.661 ( 14.158 -0.233 -0.089) 14.161 24.661 ( 14.158 0.233 -0.089) 14.161 25.464 ( -10.058 -0.244 -0.086) 10.061 25.464 ( -10.058 0.244 -0.086) 10.061 32.397 ( 0.435 -0.807 0.264) 0.954 32.397 ( 0.435 0.807 0.264) 0.954 32.424 ( -0.545 -0.489 0.113) 0.741 32.424 ( -0.545 0.489 0.113) 0.741 43.841 ( 16.140 -2.606 0.401) 16.354 43.841 ( 16.140 2.606 0.401) 16.354 44.396 ( 12.518 -4.549 4.092) 13.933 44.396 ( 12.518 4.549 4.092) 13.933 44.708 ( -7.240 -8.185 -10.935) 15.459 44.708 ( -7.240 8.185 -10.935) 15.459 46.009 ( -29.742 -0.428 7.442) 30.662 46.009 ( -29.742 0.428 7.442) 30.662 ======================= Grid point 251 (90/120) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 2.254 -0.524 -7.818) 8.153 2.127 ( 2.254 0.524 -7.818) 8.153 2.170 ( -1.909 -2.557 -9.970) 10.468 2.170 ( -1.909 2.557 -9.970) 10.468 2.636 ( 4.393 -1.646 -3.679) 5.961 2.636 ( 4.393 1.646 -3.679) 5.961 2.739 ( -5.637 -2.275 -2.992) 6.775 2.739 ( -5.637 2.275 -2.992) 6.775 3.440 ( 7.713 -1.549 3.613) 8.657 3.440 ( 7.713 1.549 3.613) 8.657 3.589 ( -6.877 -2.110 4.014) 8.238 3.589 ( -6.877 2.110 4.014) 8.238 5.493 ( 2.967 -0.831 -2.250) 3.815 5.493 ( 2.967 0.831 -2.250) 3.815 5.530 ( -0.375 -0.703 -3.530) 3.619 5.530 ( -0.375 0.703 -3.530) 3.619 6.225 ( 1.717 -5.251 5.326) 7.674 6.225 ( 1.717 5.251 5.326) 7.674 6.250 ( -0.742 -3.959 5.177) 6.559 6.250 ( -0.742 3.959 5.177) 6.559 7.179 ( 26.660 -4.765 -1.861) 27.146 7.179 ( 26.660 4.765 -1.861) 27.146 7.582 ( -2.450 -2.323 -2.009) 3.928 7.582 ( -2.450 2.323 -2.009) 3.928 7.886 ( -2.350 -3.532 1.362) 4.456 7.886 ( -2.350 3.532 1.362) 4.456 8.091 ( -11.997 -4.208 -1.342) 12.784 8.091 ( -11.997 4.208 -1.342) 12.784 8.390 ( 2.903 -1.376 1.447) 3.523 8.390 ( 2.903 1.376 1.447) 3.523 8.491 ( -7.544 -2.065 1.813) 8.029 8.491 ( -7.544 2.065 1.813) 8.029 9.041 ( 1.193 -4.500 -0.819) 4.727 9.041 ( 1.193 4.500 -0.819) 4.727 9.102 ( -4.549 -3.673 -0.285) 5.854 9.102 ( -4.549 3.673 -0.285) 5.854 20.367 ( 2.294 -1.487 -2.405) 3.641 20.367 ( 2.294 1.487 -2.405) 3.641 20.415 ( -2.413 -1.199 -2.035) 3.377 20.415 ( -2.413 1.199 -2.035) 3.377 20.766 ( 0.344 -0.499 1.937) 2.030 20.766 ( 0.344 0.499 1.937) 2.030 20.771 ( -0.187 -0.453 2.098) 2.154 20.771 ( -0.187 0.453 2.098) 2.154 24.954 ( 14.398 -0.249 -0.108) 14.401 24.954 ( 14.398 0.249 -0.108) 14.401 25.232 ( -12.797 -0.228 -0.105) 12.799 25.232 ( -12.797 0.228 -0.105) 12.799 32.406 ( 0.415 -0.691 0.214) 0.834 32.406 ( 0.415 0.691 0.214) 0.834 32.414 ( -0.446 -0.576 0.165) 0.747 32.414 ( -0.446 0.576 0.165) 0.747 44.155 ( 14.426 -2.808 -2.709) 14.944 44.155 ( 14.426 2.808 -2.709) 14.944 44.414 ( -10.495 -3.689 -4.661) 12.062 44.414 ( -10.495 3.689 -4.661) 12.062 44.862 ( 22.249 -3.462 2.589) 22.665 44.862 ( 22.249 3.462 2.589) 22.665 45.401 ( -29.425 -1.580 5.939) 30.060 45.401 ( -29.425 1.580 5.939) 30.060 ======================= Grid point 297 (91/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.159 ( 0.000 0.000 -28.815) 28.815 1.159 ( 0.000 0.000 28.815) 28.815 1.591 ( 0.000 0.000 -20.140) 20.140 1.591 ( 0.000 0.000 20.140) 20.140 2.528 ( 0.000 0.000 -0.491) 0.491 2.528 ( 0.000 0.000 0.491) 0.491 2.651 ( 0.000 0.000 -30.218) 30.218 2.651 ( 0.000 0.000 30.218) 30.218 2.983 ( 0.000 0.000 -9.309) 9.309 2.983 ( 0.000 0.000 9.309) 9.309 3.582 ( 0.000 0.000 -11.075) 11.075 3.582 ( 0.000 0.000 11.075) 11.075 3.618 ( 0.000 0.000 -8.300) 8.300 3.618 ( 0.000 0.000 8.300) 8.300 5.645 ( 0.000 0.000 -0.182) 0.182 5.645 ( 0.000 0.000 0.182) 0.182 5.722 ( 0.000 0.000 -3.392) 3.392 5.722 ( 0.000 0.000 3.392) 3.392 5.751 ( 0.000 0.000 -2.485) 2.485 5.751 ( 0.000 0.000 2.485) 2.485 6.313 ( 0.000 0.000 -3.218) 3.218 6.313 ( 0.000 0.000 3.218) 3.218 6.376 ( 0.000 0.000 -8.332) 8.332 6.376 ( 0.000 0.000 8.332) 8.332 6.842 ( 0.000 0.000 -23.135) 23.135 6.842 ( 0.000 0.000 23.135) 23.135 7.098 ( 0.000 0.000 -11.934) 11.934 7.098 ( 0.000 0.000 11.934) 11.934 8.799 ( 0.000 0.000 -7.789) 7.789 8.799 ( 0.000 0.000 7.789) 7.789 8.834 ( 0.000 0.000 -4.216) 4.216 8.834 ( 0.000 0.000 4.216) 4.216 9.114 ( 0.000 0.000 -6.306) 6.306 9.114 ( 0.000 0.000 6.306) 6.306 9.769 ( 0.000 0.000 -6.885) 6.885 9.769 ( 0.000 0.000 6.885) 6.885 20.124 ( 0.000 0.000 -2.801) 2.801 20.124 ( 0.000 0.000 2.801) 2.801 20.378 ( 0.000 0.000 -2.996) 2.996 20.378 ( 0.000 0.000 2.996) 2.996 20.734 ( 0.000 0.000 -6.718) 6.718 20.734 ( 0.000 0.000 6.718) 6.718 20.978 ( 0.000 0.000 -3.264) 3.264 20.978 ( 0.000 0.000 3.264) 3.264 24.160 ( 0.000 0.000 -0.436) 0.436 24.160 ( 0.000 0.000 0.436) 0.436 25.795 ( 0.000 0.000 -0.914) 0.914 25.795 ( 0.000 0.000 0.914) 0.914 32.679 ( 0.000 0.000 -1.602) 1.602 32.679 ( 0.000 0.000 1.602) 1.602 32.730 ( 0.000 0.000 -1.965) 1.965 32.730 ( 0.000 0.000 1.965) 1.965 42.653 ( 0.000 0.000 -8.111) 8.111 42.653 ( 0.000 0.000 8.111) 8.111 44.128 ( 0.000 0.000 -3.261) 3.261 44.128 ( 0.000 0.000 3.261) 3.261 44.487 ( 0.000 0.000 -1.246) 1.246 44.487 ( 0.000 0.000 1.246) 1.246 47.993 ( 0.000 0.000 -3.756) 3.756 47.993 ( 0.000 0.000 3.756) 3.756 ======================= Grid point 299 (92/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 4.419 0.000 -26.911) 27.272 1.205 ( 4.419 0.000 26.911) 27.272 1.579 ( -0.754 0.000 -19.949) 19.963 1.579 ( -0.754 0.000 19.949) 19.963 2.499 ( -2.854 0.000 -1.117) 3.065 2.499 ( -2.854 0.000 1.117) 3.065 2.718 ( 4.791 0.000 -22.979) 23.474 2.718 ( 4.791 0.000 22.979) 23.474 2.925 ( -3.838 0.000 -14.472) 14.972 2.925 ( -3.838 0.000 14.472) 14.972 3.614 ( 2.636 0.000 -9.408) 9.770 3.614 ( 2.636 0.000 9.408) 9.770 3.653 ( 3.217 0.000 -7.752) 8.393 3.653 ( 3.217 0.000 7.752) 8.393 5.756 ( 2.600 0.000 -10.263) 10.587 5.756 ( 2.600 0.000 10.263) 10.587 5.775 ( 11.406 0.000 -4.144) 12.135 5.775 ( 11.406 0.000 4.144) 12.135 5.803 ( 5.582 0.000 -4.937) 7.452 5.803 ( 5.582 0.000 4.937) 7.452 6.318 ( 0.431 0.000 -2.956) 2.987 6.318 ( 0.431 0.000 2.956) 2.987 6.400 ( 2.426 0.000 -8.661) 8.994 6.400 ( 2.426 0.000 8.661) 8.994 6.848 ( 0.745 0.000 -21.858) 21.871 6.848 ( 0.745 0.000 21.858) 21.871 7.121 ( 2.593 0.000 -10.681) 10.991 7.121 ( 2.593 0.000 10.681) 10.991 8.729 ( -6.856 0.000 -7.756) 10.352 8.729 ( -6.856 0.000 7.756) 10.352 8.812 ( -2.011 0.000 -2.569) 3.263 8.812 ( -2.011 0.000 2.569) 3.263 9.083 ( -2.885 0.000 -6.701) 7.295 9.083 ( -2.885 0.000 6.701) 7.295 9.712 ( -5.518 0.000 -6.711) 8.688 9.712 ( -5.518 0.000 6.711) 8.688 20.131 ( 0.664 0.000 -2.794) 2.871 20.131 ( 0.664 0.000 2.794) 2.871 20.371 ( -0.717 0.000 -2.976) 3.062 20.371 ( -0.717 0.000 2.976) 3.062 20.737 ( 0.294 0.000 -6.742) 6.748 20.737 ( 0.294 0.000 6.742) 6.748 20.958 ( -1.765 0.000 -3.708) 4.107 20.958 ( -1.765 0.000 3.708) 4.107 24.244 ( 7.914 0.000 -0.641) 7.940 24.244 ( 7.914 0.000 0.641) 7.940 25.761 ( -3.350 0.000 -0.912) 3.472 25.761 ( -3.350 0.000 0.912) 3.472 32.675 ( -0.399 0.000 -1.182) 1.248 32.675 ( -0.399 0.000 1.182) 1.248 32.723 ( -0.468 0.000 -1.466) 1.538 32.723 ( -0.468 0.000 1.466) 1.538 42.694 ( 4.012 0.000 -8.042) 8.987 42.694 ( 4.012 0.000 8.042) 8.987 44.081 ( -4.580 0.000 -3.592) 5.820 44.081 ( -4.580 0.000 3.592) 5.820 44.539 ( 5.135 0.000 -1.798) 5.441 44.539 ( 5.135 0.000 1.798) 5.441 47.740 ( -23.482 0.000 -3.378) 23.723 47.740 ( -23.482 0.000 3.378) 23.723 ======================= Grid point 301 (93/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 7.424 0.000 -22.124) 23.336 1.328 ( 7.424 0.000 22.124) 23.336 1.586 ( 2.122 0.000 -17.696) 17.822 1.586 ( 2.122 0.000 17.696) 17.822 2.415 ( -5.321 0.000 -2.507) 5.882 2.415 ( -5.321 0.000 2.507) 5.882 2.659 ( -9.842 0.000 -7.121) 12.148 2.659 ( -9.842 0.000 7.121) 12.148 3.007 ( 10.748 0.000 -24.741) 26.975 3.007 ( 10.748 0.000 24.741) 26.975 3.666 ( 2.013 0.000 -6.226) 6.544 3.666 ( 2.013 0.000 6.226) 6.544 3.732 ( 4.209 0.000 -6.186) 7.483 3.732 ( 4.209 0.000 6.186) 7.483 5.822 ( 3.954 0.000 -11.200) 11.877 5.822 ( 3.954 0.000 11.200) 11.877 5.954 ( 8.197 0.000 -5.618) 9.937 5.954 ( 8.197 0.000 5.618) 9.937 6.024 ( 11.397 0.000 -9.827) 15.048 6.024 ( 11.397 0.000 9.827) 15.048 6.332 ( 1.066 0.000 -4.372) 4.500 6.332 ( 1.066 0.000 4.372) 4.500 6.463 ( 3.033 0.000 -11.206) 11.610 6.463 ( 3.033 0.000 11.206) 11.610 6.890 ( 4.149 0.000 -17.481) 17.967 6.890 ( 4.149 0.000 17.481) 17.967 7.234 ( 9.552 0.000 -8.381) 12.708 7.234 ( 9.552 0.000 8.381) 12.708 8.525 ( -13.111 0.000 -7.649) 15.179 8.525 ( -13.111 0.000 7.649) 15.179 8.764 ( -2.486 0.000 -1.702) 3.013 8.764 ( -2.486 0.000 1.702) 3.013 9.005 ( -4.578 0.000 -7.477) 8.767 9.005 ( -4.578 0.000 7.477) 8.767 9.551 ( -10.092 0.000 -6.012) 11.747 9.551 ( -10.092 0.000 6.012) 11.747 20.150 ( 1.226 0.000 -2.753) 3.014 20.150 ( 1.226 0.000 2.753) 3.014 20.350 ( -1.309 0.000 -2.900) 3.182 20.350 ( -1.309 0.000 2.900) 3.182 20.745 ( 0.511 0.000 -6.618) 6.637 20.745 ( 0.511 0.000 6.618) 6.637 20.916 ( -2.160 0.000 -4.313) 4.824 20.916 ( -2.160 0.000 4.313) 4.824 24.458 ( 12.607 0.000 -2.355) 12.825 24.458 ( 12.607 0.000 2.355) 12.825 25.660 ( -6.572 0.000 -0.905) 6.635 25.660 ( -6.572 0.000 0.905) 6.635 32.660 ( -1.021 0.000 -0.212) 1.043 32.660 ( -1.021 0.000 0.212) 1.043 32.719 ( 0.056 0.000 -0.556) 0.559 32.719 ( 0.056 0.000 0.556) 0.559 42.812 ( 7.606 0.000 -7.818) 10.907 42.812 ( 7.606 0.000 7.818) 10.907 43.947 ( -8.476 0.000 -4.370) 9.536 43.947 ( -8.476 0.000 4.370) 9.536 44.695 ( 10.360 0.000 -4.304) 11.218 44.695 ( 10.360 0.000 4.304) 11.218 47.139 ( -33.402 0.000 -13.725) 36.112 47.139 ( -33.402 0.000 13.725) 36.112 ======================= Grid point 303 (94/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 8.076 0.000 -15.724) 17.677 1.490 ( 8.076 0.000 15.724) 17.677 1.681 ( 7.224 0.000 -12.850) 14.742 1.681 ( 7.224 0.000 12.850) 14.742 2.292 ( -6.454 0.000 -3.769) 7.474 2.292 ( -6.454 0.000 3.769) 7.474 2.422 ( -12.787 0.000 -7.087) 14.619 2.422 ( -12.787 0.000 7.087) 14.619 3.239 ( 11.028 0.000 -17.103) 20.350 3.239 ( 11.028 0.000 17.103) 20.350 3.684 ( -0.415 0.000 -3.238) 3.264 3.684 ( -0.415 0.000 3.238) 3.264 3.809 ( 3.091 0.000 -3.909) 4.983 3.809 ( 3.091 0.000 3.909) 4.983 5.911 ( 4.665 0.000 -10.630) 11.609 5.911 ( 4.665 0.000 10.630) 11.609 6.080 ( 3.288 0.000 -3.045) 4.481 6.080 ( 3.288 0.000 3.045) 4.481 6.209 ( 7.215 0.000 -13.617) 15.410 6.209 ( 7.215 0.000 13.617) 15.410 6.362 ( 1.735 0.000 -6.698) 6.919 6.362 ( 1.735 0.000 6.698) 6.919 6.488 ( -0.920 0.000 -14.727) 14.755 6.488 ( -0.920 0.000 14.727) 14.755 7.051 ( 12.425 0.000 -10.788) 16.455 7.051 ( 12.425 0.000 10.788) 16.455 7.513 ( 16.771 0.000 -8.937) 19.004 7.513 ( 16.771 0.000 8.937) 19.004 8.207 ( -18.043 0.000 -7.455) 19.523 8.207 ( -18.043 0.000 7.455) 19.523 8.705 ( -3.948 0.000 -2.682) 4.773 8.705 ( -3.948 0.000 2.682) 4.773 8.922 ( -2.621 0.000 -7.812) 8.240 8.922 ( -2.621 0.000 7.812) 8.240 9.321 ( -12.080 0.000 -4.264) 12.810 9.321 ( -12.080 0.000 4.264) 12.810 20.179 ( 1.539 0.000 -2.569) 2.995 20.179 ( 1.539 0.000 2.569) 2.995 20.320 ( -1.613 0.000 -2.664) 3.114 20.320 ( -1.613 0.000 2.664) 3.114 20.756 ( 0.555 0.000 -5.660) 5.687 20.756 ( 0.555 0.000 5.660) 5.687 20.877 ( -1.579 0.000 -4.125) 4.417 20.877 ( -1.579 0.000 4.125) 4.417 24.733 ( 14.097 0.000 -2.962) 14.405 24.733 ( 14.097 0.000 2.962) 14.405 25.497 ( -9.499 0.000 -1.056) 9.558 25.497 ( -9.499 0.000 1.056) 9.558 32.640 ( -0.818 0.000 -0.113) 0.826 32.640 ( -0.818 0.000 0.113) 0.826 32.723 ( 0.264 0.000 -0.375) 0.459 32.723 ( 0.264 0.000 0.375) 0.459 42.996 ( 10.292 0.000 -7.366) 12.657 42.996 ( 10.292 0.000 7.366) 12.657 43.747 ( -11.058 0.000 -5.219) 12.228 43.747 ( -11.058 0.000 5.219) 12.228 44.959 ( 15.623 0.000 -8.371) 17.724 44.959 ( 15.623 0.000 8.371) 17.724 46.463 ( -32.186 0.000 -18.620) 37.184 46.463 ( -32.186 0.000 18.620) 37.184 ======================= Grid point 305 (95/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 4.351 0.000 -6.572) 7.881 1.626 ( 4.351 0.000 6.572) 7.881 1.863 ( 9.672 0.000 -7.773) 12.408 1.863 ( 9.672 0.000 7.773) 12.408 2.166 ( -11.444 0.000 -6.310) 13.068 2.166 ( -11.444 0.000 6.310) 13.068 2.179 ( -3.758 0.000 -2.584) 4.561 2.179 ( -3.758 0.000 2.584) 4.561 3.420 ( 5.887 0.000 -7.646) 9.650 3.420 ( 5.887 0.000 7.646) 9.650 3.653 ( -1.989 0.000 -2.223) 2.983 3.653 ( -1.989 0.000 2.223) 2.983 3.851 ( 1.088 0.000 -1.324) 1.714 3.851 ( 1.088 0.000 1.324) 1.714 6.000 ( 3.591 0.000 -7.451) 8.272 6.000 ( 3.591 0.000 7.451) 8.272 6.090 ( -1.357 0.000 -3.219) 3.494 6.090 ( -1.357 0.000 3.219) 3.494 6.334 ( 5.437 0.000 -14.990) 15.945 6.334 ( 5.437 0.000 14.990) 15.945 6.389 ( 0.688 0.000 -3.151) 3.225 6.389 ( 0.688 0.000 3.151) 3.225 6.434 ( -4.038 0.000 -15.516) 16.033 6.434 ( -4.038 0.000 15.516) 16.033 7.381 ( 18.907 0.000 -7.299) 20.267 7.381 ( 18.907 0.000 7.299) 20.267 7.813 ( -20.156 0.000 -7.039) 21.350 7.813 ( -20.156 0.000 7.039) 21.350 7.824 ( 10.883 0.000 -5.261) 12.088 7.824 ( 10.883 0.000 5.261) 12.088 8.597 ( -5.198 0.000 -2.213) 5.650 8.597 ( -5.198 0.000 2.213) 5.650 8.929 ( 3.028 0.000 -6.646) 7.303 8.929 ( 3.028 0.000 6.646) 7.303 9.098 ( -8.665 0.000 -3.482) 9.338 9.098 ( -8.665 0.000 3.482) 9.338 20.207 ( 1.045 0.000 -1.534) 1.856 20.207 ( 1.045 0.000 1.534) 1.856 20.290 ( -1.074 0.000 -1.566) 1.899 20.290 ( -1.074 0.000 1.566) 1.899 20.765 ( 0.275 0.000 -2.533) 2.548 20.765 ( 0.275 0.000 2.533) 2.548 20.855 ( -0.596 0.000 -1.981) 2.069 20.855 ( -0.596 0.000 1.981) 2.069 25.015 ( 13.437 0.000 -2.454) 13.659 25.015 ( 13.437 0.000 2.454) 13.659 25.280 ( -11.764 0.000 -1.617) 11.875 25.280 ( -11.764 0.000 1.617) 11.875 32.629 ( -0.276 0.000 -0.064) 0.283 32.629 ( -0.276 0.000 0.064) 0.283 32.727 ( 0.121 0.000 -0.146) 0.189 32.727 ( 0.121 0.000 0.146) 0.189 43.214 ( 10.262 0.000 -5.906) 11.840 43.214 ( 10.262 0.000 5.906) 11.840 43.518 ( -10.564 0.000 -5.180) 11.766 43.518 ( -10.564 0.000 5.180) 11.766 45.320 ( 19.141 0.000 -11.907) 22.543 45.320 ( 19.141 0.000 11.907) 22.543 45.872 ( -24.943 0.000 -16.129) 29.704 45.872 ( -24.943 0.000 16.129) 29.704 ======================= Grid point 315 (96/120) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.444 ( 0.000 18.036 -19.443) 26.520 1.444 ( 0.000 18.036 19.443) 26.520 1.647 ( 0.000 6.993 -16.664) 18.072 1.647 ( 0.000 6.993 16.664) 18.072 2.520 ( 0.000 2.834 -5.768) 6.427 2.520 ( 0.000 2.834 5.768) 6.427 2.771 ( 0.000 8.808 -18.797) 20.759 2.771 ( 0.000 8.808 18.797) 20.759 2.923 ( 0.000 -4.475 -14.075) 14.769 2.923 ( 0.000 -4.475 14.075) 14.769 3.527 ( 0.000 -4.059 -10.061) 10.849 3.527 ( 0.000 -4.059 10.061) 10.849 3.785 ( 0.000 13.292 -6.818) 14.939 3.785 ( 0.000 13.292 6.818) 14.939 5.586 ( 0.000 -3.046 -0.032) 3.046 5.586 ( 0.000 -3.046 0.032) 3.046 5.762 ( 0.000 0.951 -2.495) 2.670 5.762 ( 0.000 0.951 2.495) 2.670 5.997 ( 0.000 22.565 -8.187) 24.004 5.997 ( 0.000 22.565 8.187) 24.004 6.372 ( 0.000 0.852 -8.590) 8.632 6.372 ( 0.000 0.852 8.590) 8.632 6.529 ( 0.000 14.215 -4.472) 14.902 6.529 ( 0.000 14.215 4.472) 14.902 6.900 ( 0.000 8.832 -19.982) 21.847 6.900 ( 0.000 8.832 19.982) 21.847 7.071 ( 0.000 -1.933 -9.874) 10.062 7.071 ( 0.000 -1.933 9.874) 10.062 8.679 ( 0.000 -8.032 -4.420) 9.168 8.679 ( 0.000 -8.032 4.420) 9.168 8.893 ( 0.000 3.031 -6.021) 6.741 8.893 ( 0.000 3.031 6.021) 6.741 9.109 ( 0.000 -0.388 -5.546) 5.559 9.109 ( 0.000 -0.388 5.546) 5.559 9.748 ( 0.000 -1.917 -6.903) 7.164 9.748 ( 0.000 -1.917 6.903) 7.164 20.206 ( 0.000 7.381 -3.144) 8.023 20.206 ( 0.000 7.381 3.144) 8.023 20.403 ( 0.000 2.310 -2.842) 3.662 20.403 ( 0.000 2.310 2.842) 3.662 20.678 ( 0.000 -5.193 -6.839) 8.587 20.678 ( 0.000 -5.193 6.839) 8.587 20.935 ( 0.000 -3.610 -3.219) 4.837 20.935 ( 0.000 -3.610 3.219) 4.837 24.159 ( 0.000 -0.157 -0.416) 0.444 24.159 ( 0.000 -0.157 0.416) 0.444 25.792 ( 0.000 -0.213 -0.862) 0.887 25.792 ( 0.000 -0.213 0.862) 0.887 32.646 ( 0.000 -2.983 -1.649) 3.408 32.646 ( 0.000 -2.983 1.649) 3.408 32.704 ( 0.000 -2.421 -1.866) 3.057 32.704 ( 0.000 -2.421 1.866) 3.057 42.716 ( 0.000 5.885 -7.951) 9.892 42.716 ( 0.000 5.885 7.951) 9.892 44.156 ( 0.000 1.252 -0.004) 1.252 44.156 ( 0.000 1.252 0.004) 1.252 44.557 ( 0.000 7.109 -4.259) 8.287 44.557 ( 0.000 7.109 4.259) 8.287 47.851 ( 0.000 -12.577 -2.995) 12.928 47.851 ( 0.000 -12.577 2.995) 12.928 ======================= Grid point 317 (97/120) ======================= q-point: ( 0.11 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 1.934 14.491 -18.831) 23.840 1.464 ( 1.934 14.491 18.831) 23.840 1.662 ( 1.613 10.938 -16.528) 19.886 1.662 ( 1.613 10.938 16.528) 19.886 2.507 ( -1.902 2.429 -2.553) 4.004 2.507 ( -1.902 2.429 2.553) 4.004 2.773 ( -1.632 2.650 -10.344) 10.802 2.773 ( -1.632 2.650 10.344) 10.802 2.920 ( 2.039 2.037 -21.860) 22.050 2.920 ( 2.039 2.037 21.860) 22.050 3.550 ( 1.946 -4.302 -8.192) 9.456 3.550 ( 1.946 -4.302 8.192) 9.456 3.822 ( 3.426 13.216 -5.749) 14.814 3.822 ( 3.426 13.216 5.749) 14.814 5.695 ( 9.345 -3.181 -3.332) 10.419 5.695 ( 9.345 -3.181 3.332) 10.419 5.836 ( 7.169 1.770 -2.941) 7.949 5.836 ( 7.169 1.770 2.941) 7.949 6.029 ( 3.271 21.770 -7.756) 23.340 6.029 ( 3.271 21.770 7.756) 23.340 6.377 ( 0.623 0.199 -7.633) 7.661 6.377 ( 0.623 0.199 7.633) 7.661 6.543 ( 1.133 14.605 -1.968) 14.780 6.543 ( 1.133 14.605 1.968) 14.780 6.896 ( -0.152 7.166 -18.128) 19.494 6.896 ( -0.152 7.166 18.128) 19.494 7.099 ( 3.087 -1.138 -7.530) 8.217 7.099 ( 3.087 -1.138 7.530) 8.217 8.645 ( -3.681 -6.623 -4.111) 8.620 8.645 ( -3.681 -6.623 4.111) 8.620 8.844 ( -4.469 2.296 -4.720) 6.894 8.844 ( -4.469 2.296 4.720) 6.894 9.078 ( -2.952 -0.451 -5.924) 6.634 9.078 ( -2.952 -0.451 5.924) 6.634 9.690 ( -5.581 -1.969 -6.688) 8.931 9.690 ( -5.581 -1.969 6.688) 8.931 20.209 ( 0.302 7.049 -3.041) 7.683 20.209 ( 0.302 7.049 3.041) 7.683 20.396 ( -0.664 2.348 -2.815) 3.726 20.396 ( -0.664 2.348 2.815) 3.726 20.683 ( 0.434 -5.025 -6.796) 8.463 20.683 ( 0.434 -5.025 6.796) 8.463 20.920 ( -1.418 -3.299 -3.536) 5.040 20.920 ( -1.418 -3.299 3.536) 5.040 24.240 ( 7.680 -0.401 -0.463) 7.704 24.240 ( 7.680 -0.401 0.463) 7.704 25.758 ( -3.360 -0.220 -0.860) 3.475 25.758 ( -3.360 -0.220 0.860) 3.475 32.645 ( -0.201 -2.849 -1.372) 3.169 32.645 ( -0.201 -2.849 1.372) 3.169 32.697 ( -0.606 -2.489 -1.494) 2.965 32.697 ( -0.606 -2.489 1.494) 2.965 42.760 ( 4.292 6.154 -7.860) 10.866 42.760 ( 4.292 6.154 7.860) 10.866 44.136 ( -2.397 3.627 -0.992) 4.459 44.136 ( -2.397 3.627 0.992) 4.459 44.581 ( 2.825 4.656 -3.187) 6.310 44.581 ( 2.825 4.656 3.187) 6.310 47.616 ( -21.830 -10.922 -2.963) 24.589 47.616 ( -21.830 -10.922 2.963) 24.589 ======================= Grid point 319 (98/120) ======================= q-point: ( 0.22 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 4.245 8.328 -15.799) 18.357 1.525 ( 4.245 8.328 15.799) 18.357 1.722 ( 4.444 17.108 -15.081) 23.235 1.722 ( 4.444 17.108 15.081) 23.235 2.430 ( -5.609 1.547 -0.523) 5.842 2.430 ( -5.609 1.547 0.523) 5.842 2.664 ( -8.008 0.652 -4.714) 9.316 2.664 ( -8.008 0.652 4.714) 9.316 3.052 ( 9.533 4.835 -23.031) 25.390 3.052 ( 9.533 4.835 23.031) 25.390 3.588 ( 1.486 -4.776 -4.664) 6.839 3.588 ( 1.486 -4.776 4.664) 6.839 3.909 ( 4.742 13.553 -3.823) 14.859 3.909 ( 4.742 13.553 3.823) 14.859 5.892 ( 9.064 -1.869 -7.624) 11.990 5.892 ( 9.064 -1.869 7.624) 11.990 6.018 ( 8.982 8.248 -5.324) 13.306 6.018 ( 8.982 8.248 5.324) 13.306 6.136 ( 7.137 15.444 -7.803) 18.717 6.136 ( 7.137 15.444 7.803) 18.717 6.404 ( 2.120 -1.812 -7.377) 7.887 6.404 ( 2.120 -1.812 7.377) 7.887 6.559 ( 0.016 15.623 -3.433) 15.996 6.559 ( 0.016 15.623 3.433) 15.996 6.914 ( 2.739 3.231 -14.586) 15.189 6.914 ( 2.739 3.231 14.586) 15.189 7.223 ( 10.018 -0.022 -6.595) 11.994 7.223 ( 10.018 -0.022 6.595) 11.994 8.503 ( -10.931 -2.165 -5.483) 12.419 8.503 ( -10.931 -2.165 5.483) 12.419 8.751 ( -3.745 -0.662 -0.472) 3.832 8.751 ( -3.745 -0.662 0.472) 3.832 8.997 ( -4.773 -0.674 -6.753) 8.297 8.997 ( -4.773 -0.674 6.753) 8.297 9.528 ( -10.197 -2.108 -5.870) 11.953 9.528 ( -10.197 -2.108 5.870) 11.953 20.218 ( 0.630 6.154 -2.792) 6.787 20.218 ( 0.630 6.154 2.792) 6.787 20.378 ( -1.161 2.518 -2.715) 3.881 20.378 ( -1.161 2.518 2.715) 3.881 20.696 ( 0.837 -4.501 -6.513) 7.961 20.696 ( 0.837 -4.501 6.513) 7.961 20.885 ( -1.865 -2.752 -3.996) 5.198 20.885 ( -1.865 -2.752 3.996) 5.198 24.449 ( 12.454 -0.784 -1.913) 12.624 24.449 ( 12.454 -0.784 1.913) 12.624 25.657 ( -6.608 -0.258 -0.848) 6.667 25.657 ( -6.608 -0.258 0.848) 6.667 32.635 ( -0.773 -2.394 -0.502) 2.566 32.635 ( -0.773 -2.394 0.502) 2.566 32.688 ( -0.148 -2.833 -0.564) 2.892 32.688 ( -0.148 -2.833 0.564) 2.892 42.887 ( 8.121 6.915 -7.570) 13.080 42.887 ( 8.121 6.915 7.570) 13.080 44.043 ( -6.989 7.892 -2.743) 10.893 44.043 ( -6.989 7.892 2.743) 10.893 44.693 ( 8.573 0.109 -3.338) 9.201 44.693 ( 8.573 0.109 3.338) 9.201 47.050 ( -31.909 -7.951 -12.006) 35.008 47.050 ( -31.909 -7.951 12.006) 35.008 ======================= Grid point 321 (99/120) ======================= q-point: ( 0.33 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 6.948 5.404 -10.398) 13.623 1.639 ( 6.948 5.404 10.398) 13.623 1.840 ( 7.071 18.682 -11.711) 23.156 1.840 ( 7.071 18.682 11.711) 23.156 2.289 ( -8.063 -0.266 -2.318) 8.393 2.289 ( -8.063 -0.266 2.318) 8.393 2.482 ( -9.546 5.271 -4.087) 11.645 2.482 ( -9.546 5.271 4.087) 11.645 3.254 ( 9.623 2.049 -16.149) 18.910 3.254 ( 9.623 2.049 16.149) 18.910 3.599 ( -0.548 -4.983 -2.324) 5.526 3.599 ( -0.548 -4.983 2.324) 5.526 3.997 ( 3.630 14.422 -2.247) 15.041 3.997 ( 3.630 14.422 2.247) 15.041 6.050 ( 6.651 -0.005 -8.440) 10.745 6.050 ( 6.651 -0.005 8.440) 10.745 6.159 ( 4.901 15.024 -4.240) 16.362 6.159 ( 4.901 15.024 4.240) 16.362 6.270 ( 5.004 8.795 -8.283) 13.077 6.270 ( 5.004 8.795 8.283) 13.077 6.441 ( 0.153 -1.265 -11.303) 11.374 6.441 ( 0.153 -1.265 11.303) 11.374 6.548 ( -0.349 14.959 -2.718) 15.208 6.548 ( -0.349 14.959 2.718) 15.208 7.050 ( 11.572 0.026 -9.347) 14.875 7.050 ( 11.572 0.026 9.347) 14.875 7.505 ( 16.713 -0.186 -8.253) 18.641 7.505 ( 16.713 -0.186 8.253) 18.641 8.210 ( -17.369 0.330 -6.413) 18.518 8.210 ( -17.369 0.330 6.413) 18.518 8.683 ( -4.104 -1.851 -3.062) 5.445 8.683 ( -4.104 -1.851 3.062) 5.445 8.909 ( -2.856 -1.150 -7.208) 7.838 8.909 ( -2.856 -1.150 7.208) 7.838 9.296 ( -12.138 -2.218 -3.940) 12.953 9.296 ( -12.138 -2.218 3.940) 12.953 20.234 ( 0.874 4.955 -2.392) 5.571 20.234 ( 0.874 4.955 2.392) 5.571 20.352 ( -1.317 2.933 -2.409) 4.017 20.352 ( -1.317 2.933 2.409) 4.017 20.715 ( 1.029 -3.667 -5.550) 6.731 20.715 ( 1.029 -3.667 5.550) 6.731 20.849 ( -1.587 -2.546 -3.925) 4.941 20.849 ( -1.587 -2.546 3.925) 4.941 24.723 ( 14.130 -0.895 -2.494) 14.377 24.723 ( 14.130 -0.895 2.494) 14.377 25.493 ( -9.579 -0.360 -0.955) 9.633 25.493 ( -9.579 -0.360 0.955) 9.633 32.618 ( -0.725 -2.064 -0.020) 2.188 32.618 ( -0.725 -2.064 0.020) 2.188 32.689 ( 0.178 -3.109 -0.266) 3.126 32.689 ( 0.178 -3.109 0.266) 3.126 43.082 ( 10.915 7.995 -7.007) 15.236 43.082 ( 10.915 7.995 7.007) 15.236 43.860 ( -10.657 10.078 -4.207) 15.259 43.860 ( -10.657 10.078 4.207) 15.259 44.930 ( 14.771 -2.617 -7.557) 16.797 44.930 ( 14.771 -2.617 7.557) 16.797 46.396 ( -31.515 -6.077 -16.815) 36.233 46.396 ( -31.515 -6.077 16.815) 36.233 ======================= Grid point 323 (100/120) ======================= q-point: ( 0.44 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 6.002 6.471 -4.506) 9.910 1.784 ( 6.002 6.471 4.506) 9.910 1.991 ( 7.045 15.535 -7.180) 18.507 1.991 ( 7.045 15.535 7.180) 18.507 2.123 ( -7.440 -0.553 -4.358) 8.640 2.123 ( -7.440 -0.553 4.358) 8.640 2.304 ( -6.760 8.201 -3.208) 11.101 2.304 ( -6.760 8.201 3.208) 11.101 3.418 ( 5.828 0.068 -8.217) 10.074 3.418 ( 5.828 0.068 8.217) 10.074 3.565 ( -2.466 -4.912 -3.224) 6.373 3.565 ( -2.466 -4.912 3.224) 6.373 4.048 ( 1.305 15.130 -0.766) 15.206 4.048 ( 1.305 15.130 0.766) 15.206 6.158 ( 3.352 -3.461 -4.097) 6.325 6.158 ( 3.352 -3.461 4.097) 6.325 6.226 ( 2.033 18.300 -3.644) 18.770 6.226 ( 2.033 18.300 3.644) 18.770 6.329 ( 0.823 10.821 -1.994) 11.034 6.329 ( 0.823 10.821 1.994) 11.034 6.405 ( -2.068 2.000 -8.405) 8.884 6.405 ( -2.068 2.000 8.405) 8.884 6.550 ( 0.138 10.502 -3.928) 11.213 6.550 ( 0.138 10.502 3.928) 11.213 7.374 ( 19.180 -0.529 -6.981) 20.418 7.374 ( 19.180 -0.529 6.981) 20.418 7.754 ( -7.511 -2.304 -3.303) 8.523 7.754 ( -7.511 -2.304 3.303) 8.523 7.890 ( -1.360 3.205 -2.158) 4.096 7.890 ( -1.360 3.205 2.158) 4.096 8.564 ( -6.047 -3.034 -2.624) 7.256 8.564 ( -6.047 -3.034 2.624) 7.256 8.918 ( 3.535 -1.022 -6.357) 7.345 8.918 ( 3.535 -1.022 6.357) 7.345 9.071 ( -9.035 -2.307 -3.537) 9.973 9.071 ( -9.035 -2.307 3.537) 9.973 20.250 ( 0.573 3.827 -1.235) 4.062 20.250 ( 0.573 3.827 1.235) 4.062 20.329 ( -0.742 3.576 -1.253) 3.861 20.329 ( -0.742 3.576 1.253) 3.861 20.733 ( 0.589 -2.813 -2.664) 3.919 20.733 ( 0.589 -2.813 2.664) 3.919 20.824 ( -0.742 -2.796 -2.097) 3.573 20.824 ( -0.742 -2.796 2.097) 3.573 25.007 ( 13.588 -0.730 -2.115) 13.771 25.007 ( 13.588 -0.730 2.115) 13.771 25.273 ( -11.913 -0.558 -1.419) 12.011 25.273 ( -11.913 -0.558 1.419) 12.011 32.608 ( -0.254 -1.955 -0.027) 1.972 32.608 ( -0.254 -1.955 0.027) 1.972 32.692 ( 0.096 -3.213 -0.111) 3.217 32.692 ( 0.096 -3.213 0.111) 3.217 43.311 ( 10.572 8.922 -5.388) 14.846 43.311 ( 10.572 8.922 5.388) 14.846 43.634 ( -10.559 10.580 -4.461) 15.599 43.634 ( -10.559 10.580 4.461) 15.599 45.283 ( 19.265 -3.521 -11.432) 22.677 45.283 ( 19.265 -3.521 11.432) 22.677 45.811 ( -25.165 -5.613 -15.234) 29.948 45.811 ( -25.165 -5.613 15.234) 29.948 ======================= Grid point 333 (101/120) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.647 ( 0.000 5.766 -1.085) 5.867 1.647 ( 0.000 5.766 1.085) 5.867 1.886 ( 0.000 10.911 -1.540) 11.019 1.886 ( 0.000 10.911 1.540) 11.019 2.662 ( 0.000 8.101 -1.270) 8.200 2.662 ( 0.000 8.101 1.270) 8.200 2.778 ( 0.000 -6.358 -8.811) 10.865 2.778 ( 0.000 -6.358 8.811) 10.865 3.066 ( 0.000 17.461 -20.236) 26.728 3.066 ( 0.000 17.461 20.236) 26.728 3.413 ( 0.000 -6.774 -9.116) 11.357 3.413 ( 0.000 -6.774 9.116) 11.357 4.110 ( 0.000 17.339 -4.409) 17.891 4.110 ( 0.000 17.339 4.409) 17.891 5.528 ( 0.000 -2.469 -0.099) 2.471 5.528 ( 0.000 -2.469 0.099) 2.471 5.761 ( 0.000 -1.487 -0.365) 1.531 5.761 ( 0.000 -1.487 0.365) 1.531 6.318 ( 0.000 -0.036 -8.494) 8.494 6.318 ( 0.000 -0.036 8.494) 8.494 6.572 ( 0.000 13.277 -6.432) 14.753 6.572 ( 0.000 13.277 6.432) 14.753 6.758 ( 0.000 18.957 -8.687) 20.853 6.758 ( 0.000 18.957 8.687) 20.853 6.960 ( 0.000 -2.039 -15.048) 15.185 6.960 ( 0.000 -2.039 15.048) 15.185 7.405 ( 0.000 30.612 -2.623) 30.724 7.405 ( 0.000 30.612 2.623) 30.724 8.514 ( 0.000 -6.926 -3.753) 7.877 8.514 ( 0.000 -6.926 3.753) 7.877 8.958 ( 0.000 3.114 -5.028) 5.914 8.958 ( 0.000 3.114 5.028) 5.914 9.103 ( 0.000 0.036 -3.294) 3.294 9.103 ( 0.000 0.036 3.294) 3.294 9.696 ( 0.000 -2.930 -6.755) 7.363 9.696 ( 0.000 -2.930 6.755) 7.363 20.390 ( 0.000 8.777 -2.702) 9.183 20.390 ( 0.000 8.777 2.702) 9.183 20.466 ( 0.000 3.487 -2.416) 4.243 20.466 ( 0.000 3.487 2.416) 4.243 20.542 ( 0.000 -6.552 -6.038) 8.910 20.542 ( 0.000 -6.552 6.038) 8.910 20.850 ( 0.000 -4.206 -2.653) 4.972 20.850 ( 0.000 -4.206 2.653) 4.972 24.154 ( 0.000 -0.255 -0.355) 0.437 24.154 ( 0.000 -0.255 0.355) 0.437 25.787 ( 0.000 -0.329 -0.720) 0.792 25.787 ( 0.000 -0.329 0.720) 0.792 32.566 ( 0.000 -4.438 -1.721) 4.760 32.566 ( 0.000 -4.438 1.721) 4.760 32.636 ( 0.000 -3.968 -1.594) 4.276 32.636 ( 0.000 -3.968 1.594) 4.276 42.878 ( 0.000 9.246 -7.253) 11.751 42.878 ( 0.000 9.246 7.253) 11.751 44.146 ( 0.000 -1.956 -3.262) 3.804 44.146 ( 0.000 -1.956 3.262) 3.804 44.745 ( 0.000 9.143 -9.095) 12.896 44.745 ( 0.000 9.143 9.095) 12.896 47.551 ( 0.000 -14.422 -3.586) 14.861 47.551 ( 0.000 -14.422 3.586) 14.861 ======================= Grid point 335 (102/120) ======================= q-point: ( 0.11 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -0.750 5.868 -12.883) 14.177 1.631 ( -0.750 5.868 12.883) 14.177 1.949 ( 5.152 10.946 -10.748) 16.183 1.949 ( 5.152 10.946 10.748) 16.183 2.609 ( -4.815 4.182 -1.657) 6.589 2.609 ( -4.815 4.182 1.657) 6.589 2.760 ( -1.843 -0.736 -3.756) 4.248 2.760 ( -1.843 -0.736 3.756) 4.248 3.111 ( 4.234 15.270 -20.055) 25.559 3.111 ( 4.234 15.270 20.055) 25.559 3.435 ( 1.887 -6.609 -8.038) 10.576 3.435 ( 1.887 -6.609 8.038) 10.576 4.149 ( 3.640 17.544 -4.158) 18.394 4.149 ( 3.640 17.544 4.158) 18.394 5.634 ( 9.328 -2.616 -1.943) 9.880 5.634 ( 9.328 -2.616 1.943) 9.880 5.839 ( 7.793 -1.815 -1.312) 8.108 5.839 ( 7.793 -1.815 1.312) 8.108 6.313 ( -0.110 -0.426 -8.367) 8.378 6.313 ( -0.110 -0.426 8.367) 8.378 6.604 ( 2.859 12.991 -4.475) 14.035 6.604 ( 2.859 12.991 4.475) 14.035 6.768 ( 1.064 19.736 -7.513) 21.145 6.768 ( 1.064 19.736 7.513) 21.145 6.970 ( 1.252 -1.823 -14.249) 14.420 6.970 ( 1.252 -1.823 14.249) 14.420 7.403 ( -0.013 29.632 -2.244) 29.717 7.403 ( -0.013 29.632 2.244) 29.717 8.503 ( -1.160 -6.012 -2.997) 6.817 8.503 ( -1.160 -6.012 2.997) 6.817 8.900 ( -5.520 3.088 -4.640) 7.845 8.900 ( -5.520 3.088 4.640) 7.845 9.069 ( -3.214 -0.272 -3.572) 4.813 9.069 ( -3.214 -0.272 3.572) 4.813 9.638 ( -5.659 -2.940 -6.447) 9.068 9.638 ( -5.659 -2.940 6.447) 9.068 20.383 ( -0.677 7.928 -2.542) 8.353 20.383 ( -0.677 7.928 2.542) 8.353 20.460 ( -0.576 3.486 -2.315) 4.224 20.460 ( -0.576 3.486 2.315) 4.224 20.555 ( 1.220 -5.706 -5.678) 8.142 20.555 ( 1.220 -5.706 5.678) 8.142 20.841 ( -0.909 -3.961 -2.829) 4.952 20.841 ( -0.909 -3.961 2.829) 4.952 24.230 ( 7.206 -0.520 -0.165) 7.227 24.230 ( 7.206 -0.520 0.165) 7.227 25.752 ( -3.381 -0.337 -0.721) 3.473 25.752 ( -3.381 -0.337 0.721) 3.473 32.567 ( 0.063 -4.360 -1.603) 4.646 32.567 ( 0.063 -4.360 1.603) 4.646 32.628 ( -0.708 -3.934 -1.391) 4.232 32.628 ( -0.708 -3.934 1.391) 4.232 42.930 ( 5.032 9.693 -7.139) 13.048 42.930 ( 5.032 9.693 7.139) 13.048 44.168 ( 1.897 -0.663 -3.529) 4.061 44.168 ( 1.897 -0.663 3.529) 4.061 44.726 ( -1.515 7.895 -8.274) 11.536 44.726 ( -1.515 7.895 8.274) 11.536 47.354 ( -18.575 -12.660 -1.200) 22.511 47.354 ( -18.575 -12.660 1.200) 22.511 ======================= Grid point 337 (103/120) ======================= q-point: ( 0.22 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 2.368 5.491 -13.207) 14.498 1.644 ( 2.368 5.491 13.207) 14.498 2.062 ( 5.598 10.543 -11.359) 16.478 2.062 ( 5.598 10.543 11.359) 16.478 2.484 ( -7.134 2.794 -3.306) 8.344 2.484 ( -7.134 2.794 3.306) 8.344 2.703 ( -3.793 3.888 -2.276) 5.889 2.703 ( -3.793 3.888 2.276) 5.889 3.222 ( 6.239 11.368 -17.951) 22.145 3.222 ( 6.239 11.368 17.951) 22.145 3.475 ( 1.734 -5.983 -5.257) 8.152 3.475 ( 1.734 -5.983 5.257) 8.152 4.245 ( 5.443 18.102 -3.351) 19.198 4.245 ( 5.443 18.102 3.351) 19.198 5.830 ( 8.369 -3.632 -5.630) 10.720 5.830 ( 8.369 -3.632 5.630) 10.720 6.072 ( 14.128 -1.212 -4.930) 15.012 6.072 ( 14.128 -1.212 4.930) 15.012 6.328 ( 1.809 -1.349 -8.295) 8.597 6.328 ( 1.809 -1.349 8.295) 8.597 6.676 ( 4.117 13.945 -1.979) 14.674 6.676 ( 4.117 13.945 1.979) 14.674 6.801 ( 2.234 19.807 -7.173) 21.184 6.801 ( 2.234 19.807 7.173) 21.184 7.023 ( 4.131 1.953 -11.720) 12.579 7.023 ( 4.131 1.953 11.720) 12.579 7.425 ( 3.080 24.069 -3.638) 24.537 7.425 ( 3.080 24.069 3.638) 24.537 8.445 ( -5.868 -2.907 -2.344) 6.956 8.445 ( -5.868 -2.907 2.344) 6.956 8.760 ( -7.051 1.688 -2.192) 7.575 8.760 ( -7.051 1.688 2.192) 7.575 8.980 ( -5.281 -0.845 -4.447) 6.955 8.980 ( -5.281 -0.845 4.447) 6.955 9.474 ( -10.243 -2.889 -5.336) 11.906 9.474 ( -10.243 -2.889 5.336) 11.906 20.365 ( -0.942 6.156 -2.084) 6.567 20.365 ( -0.942 6.156 2.084) 6.567 20.446 ( -0.727 3.940 -2.098) 4.522 20.446 ( -0.727 3.940 2.098) 4.522 20.588 ( 1.980 -4.367 -5.103) 7.002 20.588 ( 1.980 -4.367 5.103) 7.002 20.816 ( -1.436 -3.489 -3.146) 4.913 20.816 ( -1.436 -3.489 3.146) 4.913 24.430 ( 12.108 -0.973 -1.077) 12.195 24.430 ( 12.108 -0.973 1.077) 12.195 25.650 ( -6.686 -0.383 -0.702) 6.733 25.650 ( -6.686 -0.383 0.702) 6.733 32.566 ( -0.171 -3.990 -1.137) 4.153 32.566 ( -0.171 -3.990 1.137) 4.153 32.613 ( -0.602 -4.088 -0.820) 4.212 32.613 ( -0.602 -4.088 0.820) 4.212 43.078 ( 9.421 10.909 -6.773) 15.927 43.078 ( 9.421 10.909 6.773) 15.927 44.192 ( -0.744 4.863 -2.917) 5.719 44.192 ( -0.744 4.863 2.917) 5.719 44.719 ( 2.192 2.534 -4.927) 5.959 44.719 ( 2.192 2.534 4.927) 5.959 46.857 ( -28.928 -9.429 -6.862) 31.190 46.857 ( -28.928 -9.429 6.862) 31.190 ======================= Grid point 339 (104/120) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 5.840 4.446 -9.474) 11.984 1.729 ( 5.840 4.446 9.474) 11.984 2.157 ( 2.498 5.201 -9.698) 11.284 2.157 ( 2.498 5.201 9.698) 11.284 2.345 ( -5.078 8.162 -3.775) 10.327 2.345 ( -5.078 8.162 3.775) 10.327 2.609 ( -5.430 6.656 -3.584) 9.308 2.609 ( -5.430 6.656 3.584) 9.308 3.346 ( 5.621 6.769 -13.394) 16.025 3.346 ( 5.621 6.769 13.394) 16.025 3.498 ( 0.458 -4.622 -2.148) 5.117 3.498 ( 0.458 -4.622 2.148) 5.117 4.350 ( 4.472 18.852 -2.150) 19.494 4.350 ( 4.472 18.852 2.150) 19.494 5.951 ( 3.758 -6.598 -4.698) 8.929 5.951 ( 3.758 -6.598 4.698) 8.929 6.306 ( 5.713 0.416 -7.527) 9.458 6.306 ( 5.713 0.416 7.527) 9.458 6.404 ( 6.531 -0.425 -10.085) 12.023 6.404 ( 6.531 -0.425 10.085) 12.023 6.767 ( 4.198 26.534 -6.087) 27.545 6.767 ( 4.198 26.534 6.087) 27.545 6.871 ( 4.976 11.751 -11.097) 16.911 6.871 ( 4.976 11.751 11.097) 16.911 7.130 ( 6.982 10.410 -5.146) 13.549 7.130 ( 6.982 10.410 5.146) 13.549 7.573 ( 11.751 10.277 -6.337) 16.848 7.573 ( 11.751 10.277 6.337) 16.848 8.223 ( -15.510 0.937 -3.799) 15.996 8.223 ( -15.510 0.937 3.799) 15.996 8.648 ( -5.368 -1.019 -2.884) 6.178 8.648 ( -5.368 -1.019 2.884) 6.178 8.879 ( -3.416 -1.630 -5.183) 6.418 8.879 ( -3.416 -1.630 5.183) 6.418 9.243 ( -11.831 -2.439 -2.911) 12.426 9.243 ( -11.831 -2.439 2.911) 12.426 20.348 ( -0.705 4.580 -1.408) 4.843 20.348 ( -0.705 4.580 1.408) 4.843 20.432 ( -0.608 4.523 -1.526) 4.812 20.432 ( -0.608 4.523 1.526) 4.812 20.632 ( 2.250 -3.205 -4.440) 5.920 20.632 ( 2.250 -3.205 4.440) 5.920 20.784 ( -1.675 -3.245 -3.303) 4.924 20.784 ( -1.675 -3.245 3.303) 4.924 24.700 ( 14.168 -1.148 -1.535) 14.297 24.700 ( 14.168 -1.148 1.535) 14.297 25.483 ( -9.759 -0.514 -0.723) 9.800 25.483 ( -9.759 -0.514 0.723) 9.800 32.560 ( -0.398 -3.413 -0.451) 3.466 32.560 ( -0.398 -3.413 0.451) 3.466 32.606 ( -0.093 -4.515 -0.178) 4.519 32.606 ( -0.093 -4.515 0.178) 4.519 43.301 ( 12.292 12.433 -6.062) 18.505 43.301 ( 12.292 12.433 6.062) 18.505 44.104 ( -7.839 11.835 -2.681) 14.447 44.104 ( -7.839 11.835 2.681) 14.447 44.859 ( 11.778 -4.058 -5.178) 13.491 44.859 ( 11.778 -4.058 5.178) 13.491 46.244 ( -30.384 -7.591 -11.561) 33.384 46.244 ( -30.384 -7.591 11.561) 33.384 ======================= Grid point 341 (105/120) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 6.489 3.064 -5.123) 8.817 1.864 ( 6.489 3.064 5.123) 8.817 2.092 ( -6.227 -0.496 -4.694) 7.814 2.092 ( -6.227 -0.496 4.694) 7.814 2.365 ( 5.255 13.377 -5.820) 15.506 2.365 ( 5.255 13.377 5.820) 15.506 2.488 ( -6.262 9.365 -4.844) 12.262 2.488 ( -6.262 9.365 4.844) 12.262 3.439 ( 3.478 2.259 -8.097) 9.097 3.439 ( 3.478 2.259 8.097) 9.097 3.490 ( -1.267 -2.188 -3.628) 4.423 3.490 ( -1.267 -2.188 3.628) 4.423 4.414 ( 1.676 19.412 -0.747) 19.498 4.414 ( 1.676 19.412 0.747) 19.498 5.996 ( 0.976 -8.867 -1.674) 9.076 5.996 ( 0.976 -8.867 1.674) 9.076 6.350 ( 0.546 -1.257 -1.528) 2.053 6.350 ( 0.546 -1.257 1.528) 2.053 6.507 ( 2.485 2.529 -3.009) 4.650 6.507 ( 2.485 2.529 3.009) 4.650 6.823 ( 1.474 31.923 -3.226) 32.119 6.823 ( 1.474 31.923 3.226) 32.119 6.944 ( 1.245 22.023 -4.897) 22.595 6.944 ( 1.245 22.023 4.897) 22.595 7.383 ( 17.981 3.132 -4.442) 18.785 7.383 ( 17.981 3.132 4.442) 18.785 7.739 ( -8.922 1.358 -3.148) 9.558 7.739 ( -8.922 1.358 3.148) 9.558 7.960 ( 0.685 4.174 -2.720) 5.029 7.960 ( 0.685 4.174 2.720) 5.029 8.488 ( -8.601 -3.657 -3.729) 10.062 8.488 ( -8.601 -3.657 3.729) 10.062 8.888 ( 4.064 -1.845 -4.647) 6.444 8.888 ( 4.064 -1.845 4.647) 6.444 9.026 ( -8.964 -1.330 -2.629) 9.436 9.026 ( -8.964 -1.330 2.629) 9.436 20.338 ( -0.244 3.681 -0.510) 3.724 20.338 ( -0.244 3.681 0.510) 3.724 20.423 ( -0.242 4.903 -0.567) 4.942 20.423 ( -0.242 4.903 0.567) 4.942 20.673 ( 1.522 -2.115 -2.730) 3.774 20.673 ( 1.522 -2.115 2.730) 3.774 20.752 ( -1.273 -3.607 -2.356) 4.492 20.752 ( -1.273 -3.607 2.356) 4.492 24.988 ( 13.904 -0.979 -1.378) 14.006 24.988 ( 13.904 -0.979 1.378) 14.006 25.259 ( -12.242 -0.768 -0.973) 12.305 25.259 ( -12.242 -0.768 0.973) 12.305 32.554 ( -0.173 -3.142 -0.099) 3.148 32.554 ( -0.173 -3.142 0.099) 3.148 32.606 ( 0.023 -4.732 -0.007) 4.732 32.606 ( 0.023 -4.732 0.007) 4.732 43.550 ( 10.758 13.195 -4.234) 17.543 43.550 ( 10.758 13.195 4.234) 17.543 43.911 ( -9.489 14.917 -3.150) 17.957 43.911 ( -9.489 14.917 3.150) 17.957 45.182 ( 19.557 -6.054 -9.656) 22.635 45.182 ( 19.557 -6.054 9.656) 22.635 45.665 ( -26.038 -7.652 -12.189) 29.751 45.665 ( -26.038 -7.652 12.189) 29.751 ======================= Grid point 351 (106/120) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.769 ( 0.000 6.258 -0.081) 6.259 1.769 ( 0.000 6.258 0.081) 6.259 2.068 ( 0.000 7.456 -0.558) 7.477 2.068 ( 0.000 7.456 0.558) 7.477 2.618 ( 0.000 -7.601 -7.833) 10.915 2.618 ( 0.000 -7.601 7.833) 10.915 2.805 ( 0.000 4.550 -1.976) 4.960 2.805 ( 0.000 4.550 1.976) 4.960 3.254 ( 0.000 -7.976 -7.613) 11.026 3.254 ( 0.000 -7.976 7.613) 11.026 3.463 ( 0.000 18.207 -9.697) 20.629 3.463 ( 0.000 18.207 9.697) 20.629 4.485 ( 0.000 18.590 -3.194) 18.863 4.485 ( 0.000 18.590 3.194) 18.863 5.488 ( 0.000 -1.320 -0.735) 1.511 5.488 ( 0.000 -1.320 0.735) 1.511 5.686 ( 0.000 -5.826 -0.122) 5.828 5.686 ( 0.000 -5.826 0.122) 5.828 6.295 ( 0.000 -0.736 -11.330) 11.354 6.295 ( 0.000 -0.736 11.330) 11.354 6.608 ( 0.000 -4.100 -0.196) 4.104 6.608 ( 0.000 -4.100 0.196) 4.104 6.795 ( 0.000 -4.427 -10.791) 11.664 6.795 ( 0.000 -4.427 10.791) 11.664 7.484 ( 0.000 33.481 -5.828) 33.985 7.484 ( 0.000 33.481 5.828) 33.985 7.985 ( 0.000 21.077 -5.712) 21.838 7.985 ( 0.000 21.077 5.712) 21.838 8.444 ( 0.000 2.143 -7.611) 7.907 8.444 ( 0.000 2.143 7.611) 7.907 9.006 ( 0.000 1.333 -3.666) 3.901 9.006 ( 0.000 1.333 3.666) 3.901 9.130 ( 0.000 2.961 -0.273) 2.974 9.130 ( 0.000 2.961 0.273) 2.974 9.634 ( 0.000 -2.923 -5.906) 6.589 9.634 ( 0.000 -2.923 5.906) 6.589 20.363 ( 0.000 -6.439 -4.401) 7.799 20.363 ( 0.000 -6.439 4.401) 7.799 20.534 ( 0.000 2.630 -1.557) 3.057 20.534 ( 0.000 2.630 1.557) 3.057 20.608 ( 0.000 7.705 -0.958) 7.764 20.608 ( 0.000 7.705 0.958) 7.764 20.777 ( 0.000 -2.383 -1.151) 2.646 20.777 ( 0.000 -2.383 1.151) 2.646 24.149 ( 0.000 -0.255 -0.260) 0.364 24.149 ( 0.000 -0.255 0.260) 0.364 25.780 ( 0.000 -0.317 -0.516) 0.605 25.780 ( 0.000 -0.317 0.516) 0.605 32.475 ( 0.000 -4.053 -1.560) 4.343 32.475 ( 0.000 -4.053 1.560) 4.343 32.550 ( 0.000 -4.074 -1.169) 4.239 32.550 ( 0.000 -4.074 1.169) 4.239 43.073 ( 0.000 8.900 -5.718) 10.579 43.073 ( 0.000 8.900 5.718) 10.579 44.099 ( 0.000 -2.106 -4.073) 4.586 44.099 ( 0.000 -2.106 4.073) 4.586 44.872 ( 0.000 2.503 -12.429) 12.679 44.872 ( 0.000 2.503 12.429) 12.679 47.314 ( 0.000 -7.891 -5.740) 9.758 47.314 ( 0.000 -7.891 5.740) 9.758 ======================= Grid point 353 (107/120) ======================= q-point: ( 0.11 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -0.436 6.696 -8.574) 10.888 1.760 ( -0.436 6.696 8.574) 10.888 2.109 ( 3.382 5.649 -6.648) 9.357 2.109 ( 3.382 5.649 6.648) 9.357 2.570 ( -3.786 -5.248 -6.532) 9.195 2.570 ( -3.786 -5.248 6.532) 9.195 2.824 ( 0.907 4.396 -2.892) 5.340 2.824 ( 0.907 4.396 2.892) 5.340 3.272 ( 1.686 -7.521 -6.615) 10.157 3.272 ( 1.686 -7.521 6.615) 10.157 3.478 ( 1.453 16.579 -9.258) 19.044 3.478 ( 1.453 16.579 9.258) 19.044 4.528 ( 4.015 18.751 -3.173) 19.436 4.528 ( 4.015 18.751 3.173) 19.436 5.585 ( 8.178 -2.448 -1.360) 8.644 5.585 ( 8.178 -2.448 1.360) 8.644 5.757 ( 7.557 -5.592 -1.197) 9.477 5.757 ( 7.557 -5.592 1.197) 9.477 6.300 ( 0.615 -0.067 -11.137) 11.154 6.300 ( 0.615 -0.067 11.137) 11.154 6.599 ( -0.423 -5.871 -5.116) 7.799 6.599 ( -0.423 -5.871 5.116) 7.799 6.849 ( 5.153 -3.029 -8.331) 10.254 6.849 ( 5.153 -3.029 8.331) 10.254 7.488 ( 0.364 33.423 -5.626) 33.895 7.488 ( 0.364 33.423 5.626) 33.895 7.979 ( -0.591 21.566 -5.086) 22.166 7.979 ( -0.591 21.566 5.086) 22.166 8.443 ( -0.213 1.884 -6.469) 6.741 8.443 ( -0.213 1.884 6.469) 6.741 8.959 ( -4.828 2.180 -4.200) 6.760 8.959 ( -4.828 2.180 4.200) 6.760 9.083 ( -4.381 2.087 -0.460) 4.875 9.083 ( -4.381 2.087 0.460) 4.875 9.577 ( -5.528 -2.797 -5.533) 8.306 9.577 ( -5.528 -2.797 5.533) 8.306 20.365 ( 0.186 -5.896 -4.124) 7.198 20.365 ( 0.186 -5.896 4.124) 7.198 20.527 ( -0.638 2.291 -1.374) 2.746 20.527 ( -0.638 2.291 1.374) 2.746 20.611 ( 0.346 7.417 -0.888) 7.478 20.611 ( 0.346 7.417 0.888) 7.478 20.772 ( -0.413 -2.095 -1.303) 2.501 20.772 ( -0.413 -2.095 1.303) 2.501 24.220 ( 6.812 -0.425 -0.047) 6.826 24.220 ( 6.812 -0.425 0.047) 6.826 25.745 ( -3.397 -0.320 -0.518) 3.451 25.745 ( -3.397 -0.320 0.518) 3.451 32.477 ( 0.182 -4.023 -1.500) 4.297 32.477 ( 0.182 -4.023 1.500) 4.297 32.543 ( -0.603 -3.982 -1.057) 4.164 32.543 ( -0.603 -3.982 1.057) 4.164 43.134 ( 5.985 9.384 -5.632) 12.475 43.134 ( 5.985 9.384 5.632) 12.475 44.135 ( 3.535 -1.848 -4.456) 5.981 44.135 ( 3.535 -1.848 4.456) 5.981 44.840 ( -3.006 2.291 -11.868) 12.455 44.840 ( -3.006 2.291 11.868) 12.455 47.147 ( -15.937 -6.755 -3.867) 17.736 47.147 ( -15.937 -6.755 3.867) 17.736 ======================= Grid point 355 (108/120) ======================= q-point: ( 0.22 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 1.637 6.551 -9.522) 11.673 1.769 ( 1.637 6.551 9.522) 11.673 2.170 ( 1.893 1.611 -7.886) 8.269 2.170 ( 1.893 1.611 7.886) 8.269 2.499 ( -2.625 -0.884 -4.320) 5.132 2.499 ( -2.625 -0.884 4.320) 5.132 2.814 ( -2.168 5.511 -3.362) 6.809 2.814 ( -2.168 5.511 3.362) 6.809 3.321 ( 3.087 -6.217 -3.970) 7.996 3.321 ( 3.087 -6.217 3.970) 7.996 3.513 ( 1.695 12.829 -7.861) 15.141 3.513 ( 1.695 12.829 7.861) 15.141 4.633 ( 5.968 19.015 -2.862) 20.134 4.633 ( 5.968 19.015 2.862) 20.134 5.732 ( 5.297 -6.166 -3.798) 8.973 5.732 ( 5.297 -6.166 3.798) 8.973 6.014 ( 16.554 -2.861 -3.712) 17.205 6.014 ( 16.554 -2.861 3.712) 17.205 6.326 ( 2.023 0.643 -9.925) 10.150 6.326 ( 2.023 0.643 9.925) 10.150 6.616 ( 2.987 -7.993 -8.845) 12.290 6.616 ( 2.987 -7.993 8.845) 12.290 7.001 ( 9.967 -0.859 -5.122) 11.239 7.001 ( 9.967 -0.859 5.122) 11.239 7.500 ( 0.851 33.009 -4.942) 33.387 7.500 ( 0.851 33.009 4.942) 33.387 7.963 ( -0.903 22.185 -3.432) 22.467 7.963 ( -0.903 22.185 3.432) 22.467 8.417 ( -3.349 1.367 -3.713) 5.184 8.417 ( -3.349 1.367 3.713) 5.184 8.818 ( -8.244 3.716 -4.245) 9.990 8.818 ( -8.244 3.716 4.245) 9.990 8.970 ( -6.421 0.221 -1.963) 6.718 8.970 ( -6.421 0.221 1.963) 6.718 9.419 ( -9.658 -2.197 -4.236) 10.773 9.419 ( -9.658 -2.197 4.236) 10.773 20.369 ( 0.123 -4.261 -3.266) 5.370 20.369 ( 0.123 -4.261 3.266) 5.370 20.511 ( -0.884 1.399 -1.029) 1.948 20.511 ( -0.884 1.399 1.029) 1.948 20.623 ( 0.900 6.355 -0.754) 6.463 20.623 ( 0.900 6.355 0.754) 6.463 20.760 ( -0.759 -1.328 -1.576) 2.196 20.760 ( -0.759 -1.328 1.576) 2.196 24.412 ( 11.779 -0.737 -0.454) 11.811 24.412 ( 11.779 -0.737 0.454) 11.811 25.642 ( -6.757 -0.349 -0.503) 6.785 25.642 ( -6.757 -0.349 0.503) 6.785 32.482 ( 0.229 -3.890 -1.316) 4.113 32.482 ( 0.229 -3.890 1.316) 4.113 32.529 ( -0.755 -3.853 -0.829) 4.012 32.529 ( -0.755 -3.853 0.829) 4.012 43.308 ( 10.981 10.661 -5.330) 16.206 43.308 ( 10.981 10.661 5.330) 16.206 44.233 ( 5.611 0.016 -4.963) 7.490 44.233 ( 5.611 0.016 4.963) 7.490 44.765 ( -3.654 0.720 -9.830) 10.512 44.765 ( -3.654 0.720 9.830) 10.512 46.705 ( -26.552 -4.642 -0.936) 26.971 46.705 ( -26.552 -4.642 0.936) 26.971 ======================= Grid point 357 (109/120) ======================= q-point: ( 0.33 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 4.188 5.170 -6.987) 9.648 1.829 ( 4.188 5.170 6.987) 9.648 2.164 ( -2.607 -1.628 -6.740) 7.408 2.164 ( -2.607 -1.628 6.740) 7.408 2.483 ( 1.154 3.581 -3.266) 4.982 2.483 ( 1.154 3.581 3.266) 4.982 2.743 ( -4.480 5.564 -3.776) 8.080 2.743 ( -4.480 5.564 3.776) 8.080 3.393 ( 3.794 -3.733 -3.060) 6.139 3.393 ( 3.794 -3.733 3.060) 6.139 3.534 ( 0.131 8.716 -6.228) 10.713 3.534 ( 0.131 8.716 6.228) 10.713 4.749 ( 4.995 19.225 -2.066) 19.971 4.749 ( 4.995 19.225 2.066) 19.971 5.801 ( 1.796 -7.676 -2.900) 8.399 5.801 ( 1.796 -7.676 2.900) 8.399 6.280 ( 5.398 -1.593 -5.464) 7.844 6.280 ( 5.398 -1.593 5.464) 7.844 6.403 ( 6.554 -0.749 -7.866) 10.266 6.403 ( 6.554 -0.749 7.866) 10.266 6.779 ( 14.762 -6.176 -11.618) 19.775 6.779 ( 14.762 -6.176 11.618) 19.775 7.245 ( 13.028 3.070 -3.534) 13.844 7.245 ( 13.028 3.070 3.534) 13.844 7.524 ( 1.739 30.813 -3.361) 31.044 7.524 ( 1.739 30.813 3.361) 31.044 7.948 ( -0.578 19.724 -2.121) 19.847 7.948 ( -0.578 19.724 2.121) 19.847 8.254 ( -12.594 2.504 -0.629) 12.855 8.254 ( -12.594 2.504 0.629) 12.855 8.662 ( -8.139 2.723 -3.767) 9.373 8.662 ( -8.139 2.723 3.767) 9.373 8.850 ( -3.750 -0.691 -3.904) 5.458 8.850 ( -3.750 -0.691 3.904) 5.458 9.210 ( -10.235 -0.525 -1.685) 10.386 9.210 ( -10.235 -0.525 1.685) 10.386 20.370 ( -0.036 -2.108 -1.986) 2.897 20.370 ( -0.036 -2.108 1.986) 2.897 20.494 ( -0.699 0.369 -0.685) 1.046 20.494 ( -0.699 0.369 0.685) 1.046 20.647 ( 1.477 4.598 -1.019) 4.936 20.647 ( 1.477 4.598 1.019) 4.936 20.741 ( -1.137 -0.281 -1.747) 2.103 20.741 ( -1.137 -0.281 1.747) 2.103 24.679 ( 14.164 -0.883 -0.731) 14.210 24.679 ( 14.164 -0.883 0.731) 14.210 25.473 ( -9.932 -0.444 -0.475) 9.953 25.473 ( -9.932 -0.444 0.475) 9.953 32.485 ( 0.109 -3.555 -0.950) 3.681 32.485 ( 0.109 -3.555 0.950) 3.681 32.516 ( -0.459 -3.963 -0.582) 4.032 32.516 ( -0.459 -3.963 0.582) 4.032 43.562 ( 13.511 12.005 -4.682) 18.670 43.562 ( 13.511 12.005 4.682) 18.670 44.302 ( -1.025 6.948 -2.361) 7.409 44.302 ( -1.025 6.948 2.361) 7.409 44.765 ( 6.335 -5.079 -4.676) 9.370 44.765 ( 6.335 -5.079 4.676) 9.370 46.121 ( -30.065 -3.737 -4.614) 30.646 46.121 ( -30.065 -3.737 4.614) 30.646 ======================= Grid point 359 (110/120) ======================= q-point: ( 0.44 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 4.798 3.073 -3.882) 6.894 1.927 ( 4.798 3.073 3.882) 6.894 2.082 ( -4.504 -0.517 -4.029) 6.066 2.082 ( -4.504 -0.517 4.029) 6.066 2.532 ( 2.993 4.425 -2.955) 6.105 2.532 ( 2.993 4.425 2.955) 6.105 2.650 ( -4.015 5.052 -3.169) 7.189 2.650 ( -4.015 5.052 3.169) 7.189 3.465 ( 3.155 0.009 -3.490) 4.705 3.465 ( 3.155 0.009 3.490) 4.705 3.517 ( -1.726 4.305 -4.619) 6.546 3.517 ( -1.726 4.305 4.619) 6.546 4.821 ( 1.914 19.395 -0.782) 19.505 4.821 ( 1.914 19.395 0.782) 19.505 5.819 ( 0.311 -7.973 -1.117) 8.057 5.819 ( 0.311 -7.973 1.117) 8.057 6.313 ( 0.194 -2.060 -1.102) 2.344 6.313 ( 0.194 -2.060 1.102) 2.344 6.496 ( 2.039 -3.194 -1.849) 4.216 6.496 ( 2.039 -3.194 1.849) 4.216 7.162 ( 19.249 2.169 -8.862) 21.302 7.162 ( 19.249 2.169 8.862) 21.302 7.406 ( -0.774 15.305 -5.828) 16.395 7.406 ( -0.774 15.305 5.828) 16.395 7.608 ( 7.485 18.116 -4.032) 20.012 7.608 ( 7.485 18.116 4.032) 20.012 7.831 ( -13.650 7.251 -4.049) 15.978 7.831 ( -13.650 7.251 4.049) 15.978 8.107 ( 3.304 10.831 -3.675) 11.905 8.107 ( 3.304 10.831 3.675) 11.905 8.443 ( -11.348 0.101 -4.264) 12.123 8.443 ( -11.348 0.101 4.264) 12.123 8.852 ( 2.433 -0.889 -2.405) 3.535 8.852 ( 2.433 -0.889 2.405) 3.535 9.035 ( -6.124 2.223 -0.624) 6.545 9.035 ( -6.124 2.223 0.624) 6.545 20.368 ( -0.044 -0.662 -0.647) 0.927 20.368 ( -0.044 -0.662 0.647) 0.927 20.484 ( -0.260 -0.274 -0.254) 0.455 20.484 ( -0.260 -0.274 0.254) 0.455 20.680 ( 1.665 2.865 -1.437) 3.612 20.680 ( 1.665 2.865 1.437) 3.612 20.715 ( -1.483 0.874 -1.694) 2.415 20.715 ( -1.483 0.874 1.694) 2.415 24.969 ( 14.180 -0.781 -0.703) 14.219 24.969 ( 14.180 -0.781 0.703) 14.219 25.244 ( -12.551 -0.634 -0.542) 12.578 25.244 ( -12.551 -0.634 0.542) 12.578 32.486 ( 0.002 -3.174 -0.339) 3.192 32.486 ( 0.002 -3.174 0.339) 3.192 32.511 ( -0.113 -4.235 -0.211) 4.242 32.511 ( -0.113 -4.235 0.211) 4.242 43.818 ( 10.050 12.084 -3.017) 16.004 43.818 ( 10.050 12.084 3.017) 16.004 44.196 ( -6.775 11.506 -2.370) 13.561 44.196 ( -6.775 11.506 2.370) 13.561 45.043 ( 19.810 -6.917 -6.294) 21.907 45.043 ( 19.810 -6.917 6.294) 21.907 45.530 ( -27.357 -4.718 -6.785) 28.578 45.530 ( -27.357 -4.718 6.785) 28.578 ======================= Grid point 369 (111/120) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.901 ( 0.000 6.041 -0.982) 6.120 1.901 ( 0.000 6.041 0.982) 6.120 2.199 ( 0.000 4.768 -2.495) 5.382 2.199 ( 0.000 4.768 2.495) 5.382 2.469 ( 0.000 -6.095 -5.175) 7.996 2.469 ( 0.000 -6.095 5.175) 7.996 2.870 ( 0.000 1.905 -1.014) 2.158 2.870 ( 0.000 1.905 1.014) 2.158 3.099 ( 0.000 -6.334 -4.919) 8.020 3.099 ( 0.000 -6.334 4.919) 8.020 3.765 ( 0.000 10.242 -3.371) 10.782 3.765 ( 0.000 10.242 3.371) 10.782 4.861 ( 0.000 17.049 -2.603) 17.247 4.861 ( 0.000 17.049 2.603) 17.247 5.448 ( 0.000 -4.945 -0.554) 4.976 5.448 ( 0.000 -4.945 0.554) 4.976 5.557 ( 0.000 -4.037 -0.334) 4.051 5.557 ( 0.000 -4.037 0.334) 4.051 6.292 ( 0.000 -0.038 -9.224) 9.225 6.292 ( 0.000 -0.038 9.224) 9.225 6.464 ( 0.000 -7.305 -0.416) 7.316 6.464 ( 0.000 -7.305 0.416) 7.316 6.751 ( 0.000 -0.707 -2.650) 2.742 6.751 ( 0.000 -0.707 2.650) 2.742 8.046 ( 0.000 19.095 -2.925) 19.318 8.046 ( 0.000 19.095 2.925) 19.318 8.186 ( 0.000 2.140 -4.254) 4.762 8.186 ( 0.000 2.140 4.254) 4.762 8.628 ( 0.000 10.818 -5.642) 12.201 8.628 ( 0.000 10.818 5.642) 12.201 9.030 ( 0.000 1.449 -1.733) 2.259 9.030 ( 0.000 1.449 1.733) 2.259 9.205 ( 0.000 3.441 -0.889) 3.554 9.205 ( 0.000 3.441 0.889) 3.554 9.581 ( 0.000 -2.060 -3.709) 4.243 9.581 ( 0.000 -2.060 3.709) 4.243 20.255 ( 0.000 -3.643 -2.374) 4.348 20.255 ( 0.000 -3.643 2.374) 4.348 20.559 ( 0.000 -0.073 -1.032) 1.035 20.559 ( 0.000 -0.073 1.032) 1.035 20.708 ( 0.000 1.712 -1.140) 2.057 20.708 ( 0.000 1.712 1.140) 2.057 20.785 ( 0.000 2.916 -1.304) 3.195 20.785 ( 0.000 2.916 1.304) 3.195 24.144 ( 0.000 -0.158 -0.137) 0.209 24.144 ( 0.000 -0.158 0.137) 0.209 25.774 ( 0.000 -0.192 -0.269) 0.330 25.774 ( 0.000 -0.192 0.269) 0.330 32.408 ( 0.000 -2.324 -0.958) 2.514 32.408 ( 0.000 -2.324 0.958) 2.514 32.479 ( 0.000 -2.599 -0.614) 2.671 32.479 ( 0.000 -2.599 0.614) 2.671 43.223 ( 0.000 5.192 -3.172) 6.084 43.223 ( 0.000 5.192 3.172) 6.084 44.071 ( 0.000 -0.569 -3.278) 3.327 44.071 ( 0.000 -0.569 3.278) 3.327 44.866 ( 0.000 -1.964 -9.671) 9.869 44.866 ( 0.000 -1.964 9.671) 9.869 47.218 ( 0.000 -2.022 -4.657) 5.078 47.218 ( 0.000 -2.022 4.657) 5.078 ======================= Grid point 371 (112/120) ======================= q-point: ( 0.11 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.041 6.499 -4.281) 7.782 1.901 ( 0.041 6.499 4.281) 7.782 2.189 ( -1.090 1.499 -3.072) 3.588 2.189 ( -1.090 1.499 3.072) 3.588 2.468 ( 0.100 -3.593 -4.444) 5.716 2.468 ( 0.100 -3.593 4.444) 5.716 2.902 ( 2.225 3.233 -2.840) 4.844 2.902 ( 2.225 3.233 2.840) 4.844 3.115 ( 1.766 -7.048 -5.594) 9.170 3.115 ( 1.766 -7.048 5.594) 9.170 3.760 ( -0.442 9.754 -3.610) 10.410 3.760 ( -0.442 9.754 3.610) 10.410 4.907 ( 4.250 17.311 -2.612) 18.015 4.907 ( 4.250 17.311 2.612) 18.015 5.489 ( 3.513 -7.978 -1.051) 8.781 5.489 ( 3.513 -7.978 1.051) 8.781 5.669 ( 11.244 -1.507 -1.113) 11.399 5.669 ( 11.244 -1.507 1.113) 11.399 6.300 ( 0.808 -0.670 -8.691) 8.755 6.300 ( 0.808 -0.670 8.691) 8.755 6.447 ( -1.203 -6.586 -5.153) 8.448 6.447 ( -1.203 -6.586 5.153) 8.448 6.814 ( 5.998 -0.788 -3.762) 7.124 6.814 ( 5.998 -0.788 3.762) 7.124 8.047 ( 0.035 18.927 -2.760) 19.128 8.047 ( 0.035 18.927 2.760) 19.128 8.196 ( 0.903 2.604 -4.311) 5.117 8.196 ( 0.903 2.604 4.311) 5.117 8.609 ( -2.002 9.960 -5.027) 11.335 8.609 ( -2.002 9.960 5.027) 11.335 8.995 ( -3.446 1.802 -2.829) 4.809 8.995 ( -3.446 1.802 2.829) 4.809 9.149 ( -5.272 3.573 -1.394) 6.519 9.149 ( -5.272 3.573 1.394) 6.519 9.527 ( -5.133 -1.892 -3.436) 6.461 9.527 ( -5.133 -1.892 3.436) 6.461 20.263 ( 0.766 -3.508 -2.307) 4.268 20.263 ( 0.766 -3.508 2.307) 4.268 20.544 ( -1.343 -0.356 -0.913) 1.663 20.544 ( -1.343 -0.356 0.913) 1.663 20.715 ( 0.644 2.093 -0.954) 2.389 20.715 ( 0.644 2.093 0.954) 2.389 20.782 ( -0.277 2.800 -1.110) 3.025 20.782 ( -0.277 2.800 1.110) 3.025 24.213 ( 6.594 -0.233 -0.052) 6.598 24.213 ( 6.594 -0.233 0.052) 6.598 25.740 ( -3.402 -0.192 -0.272) 3.418 25.740 ( -3.402 -0.192 0.272) 3.418 32.410 ( 0.225 -2.312 -0.929) 2.502 32.410 ( 0.225 -2.312 0.929) 2.502 32.474 ( -0.447 -2.530 -0.561) 2.630 32.474 ( -0.447 -2.530 0.561) 2.630 43.293 ( 6.839 5.525 -3.141) 9.336 43.293 ( 6.839 5.525 3.141) 9.336 44.109 ( 3.823 -0.556 -3.510) 5.220 44.109 ( 3.823 -0.556 3.510) 5.220 44.832 ( -3.280 -2.013 -9.420) 10.175 44.832 ( -3.280 -2.013 9.420) 10.175 47.069 ( -14.433 -1.492 -3.826) 15.006 47.069 ( -14.433 -1.492 3.826) 15.006 ======================= Grid point 373 (113/120) ======================= q-point: ( 0.22 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 0.797 6.563 -5.495) 8.597 1.908 ( 0.797 6.563 5.495) 8.597 2.157 ( -1.898 -2.651 -4.513) 5.568 2.157 ( -1.898 -2.651 4.513) 5.568 2.481 ( 1.294 -0.409 -2.784) 3.097 2.481 ( 1.294 -0.409 2.784) 3.097 2.910 ( -2.204 3.776 -3.293) 5.473 2.910 ( -2.204 3.776 3.293) 5.473 3.188 ( 5.684 -5.800 -4.085) 9.091 3.188 ( 5.684 -5.800 4.085) 9.091 3.742 ( -1.530 8.141 -3.698) 9.072 3.742 ( -1.530 8.141 3.698) 9.072 5.014 ( 5.889 17.370 -2.315) 18.487 5.014 ( 5.889 17.370 2.315) 18.487 5.570 ( 4.011 -9.443 -1.796) 10.416 5.570 ( 4.011 -9.443 1.796) 10.416 5.989 ( 18.798 0.527 -2.313) 18.947 5.989 ( 18.798 0.527 2.313) 18.947 6.322 ( 1.173 -2.227 -7.509) 7.920 6.322 ( 1.173 -2.227 7.509) 7.920 6.444 ( 2.088 -6.358 -7.632) 10.150 6.444 ( 2.088 -6.358 7.632) 10.150 6.991 ( 11.579 -0.154 -3.302) 12.041 6.991 ( 11.579 -0.154 3.302) 12.041 8.046 ( -0.208 18.315 -2.426) 18.476 8.046 ( -0.208 18.315 2.426) 18.476 8.216 ( 0.782 3.875 -4.080) 5.681 8.216 ( 0.782 3.875 4.080) 5.681 8.528 ( -6.748 6.825 -2.836) 10.008 8.528 ( -6.748 6.825 2.836) 10.008 8.894 ( -6.397 2.689 -4.965) 8.532 8.894 ( -6.397 2.689 4.965) 8.532 9.014 ( -7.303 4.435 -2.753) 8.976 9.014 ( -7.303 4.435 2.753) 8.976 9.386 ( -8.342 -1.143 -2.578) 8.806 9.386 ( -8.342 -1.143 2.578) 8.806 20.285 ( 1.350 -3.066 -2.091) 3.949 20.285 ( 1.350 -3.066 2.091) 3.949 20.509 ( -1.973 -0.992 -0.780) 2.342 20.509 ( -1.973 -0.992 0.780) 2.342 20.730 ( 0.713 2.850 -0.621) 3.003 20.730 ( 0.713 2.850 0.621) 3.003 20.775 ( -0.313 2.502 -0.683) 2.612 20.775 ( -0.313 2.502 0.683) 2.612 24.400 ( 11.580 -0.375 -0.143) 11.587 24.400 ( 11.580 -0.375 0.143) 11.587 25.637 ( -6.797 -0.202 -0.266) 6.805 25.637 ( -6.797 -0.202 0.266) 6.805 32.416 ( 0.354 -2.273 -0.850) 2.452 32.416 ( 0.354 -2.273 0.850) 2.452 32.462 ( -0.630 -2.388 -0.471) 2.514 32.462 ( -0.630 -2.388 0.471) 2.514 43.491 ( 12.335 6.426 -3.008) 14.230 43.491 ( 12.335 6.426 3.008) 14.230 44.228 ( 7.981 -0.084 -4.141) 8.992 44.228 ( 7.981 -0.084 4.141) 8.992 44.739 ( -5.665 -2.501 -8.775) 10.740 44.739 ( -5.665 -2.501 8.775) 10.740 46.659 ( -25.180 -0.463 -1.826) 25.250 46.659 ( -25.180 -0.463 1.826) 25.250 ======================= Grid point 375 (114/120) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 2.101 5.099 -4.167) 6.912 1.937 ( 2.101 5.099 4.167) 6.912 2.115 ( -2.232 -3.057 -4.308) 5.735 2.115 ( -2.232 -3.057 4.308) 5.735 2.521 ( 2.611 0.756 -1.830) 3.277 2.521 ( 2.611 0.756 1.830) 3.277 2.823 ( -5.674 2.291 -2.508) 6.613 2.823 ( -5.674 2.291 2.508) 6.613 3.326 ( 7.372 -2.362 -1.975) 7.989 3.326 ( 7.372 -2.362 1.975) 7.989 3.692 ( -3.533 5.739 -3.128) 7.429 3.692 ( -3.533 5.739 3.128) 7.429 5.126 ( 4.764 16.793 -1.590) 17.528 5.126 ( 4.764 16.793 1.590) 17.528 5.636 ( 2.283 -8.520 -1.388) 8.929 5.636 ( 2.283 -8.520 1.388) 8.929 6.260 ( 3.924 -0.303 -5.016) 6.375 6.260 ( 3.924 -0.303 5.016) 6.375 6.360 ( 2.783 -3.176 -4.864) 6.441 6.360 ( 2.783 -3.176 4.864) 6.441 6.653 ( 21.179 -4.893 -8.195) 23.230 6.653 ( 21.179 -4.893 8.195) 23.230 7.278 ( 16.194 0.980 -2.376) 16.397 7.278 ( 16.194 0.980 2.376) 16.397 8.025 ( -2.789 16.246 -2.770) 16.715 8.025 ( -2.789 16.246 2.770) 16.715 8.184 ( -7.032 3.559 -2.331) 8.218 8.184 ( -7.032 3.559 2.331) 8.218 8.352 ( -6.731 5.433 -0.523) 8.666 8.352 ( -6.731 5.433 0.523) 8.666 8.723 ( -11.034 1.180 -3.699) 11.697 8.723 ( -11.034 1.180 3.699) 11.697 8.907 ( -2.211 7.219 -4.027) 8.557 8.907 ( -2.211 7.219 4.027) 8.557 9.216 ( -7.714 0.549 -1.638) 7.905 9.216 ( -7.714 0.549 1.638) 7.905 20.316 ( 1.603 -2.218 -1.684) 3.213 20.316 ( 1.603 -2.218 1.684) 3.213 20.468 ( -2.012 -1.898 -0.746) 2.864 20.468 ( -2.012 -1.898 0.746) 2.864 20.743 ( 0.574 3.314 -0.384) 3.385 20.743 ( 0.574 3.314 0.384) 3.385 20.770 ( -0.273 2.351 -0.433) 2.406 20.770 ( -0.273 2.351 0.433) 2.406 24.665 ( 14.147 -0.448 -0.264) 14.157 24.665 ( 14.147 -0.448 0.264) 14.157 25.466 ( -10.038 -0.245 -0.241) 10.044 25.466 ( -10.038 -0.245 0.241) 10.044 32.424 ( 0.366 -2.196 -0.736) 2.345 32.424 ( 0.366 -2.196 0.736) 2.345 32.450 ( -0.549 -2.293 -0.453) 2.401 32.450 ( -0.549 -2.293 0.453) 2.401 43.768 ( 14.291 7.355 -2.690) 16.296 43.768 ( 14.291 7.355 2.690) 16.296 44.408 ( 6.296 4.056 -3.783) 8.391 44.408 ( 6.296 4.056 3.783) 8.391 44.647 ( 0.697 -6.107 -7.055) 9.357 44.647 ( 0.697 -6.107 7.055) 9.357 46.088 ( -30.285 -0.036 -0.428) 30.288 46.088 ( -30.285 -0.036 0.428) 30.288 ======================= Grid point 377 (115/120) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 2.531 2.681 -2.108) 4.247 1.988 ( 2.531 2.681 2.108) 4.247 2.067 ( -2.344 -1.078 -2.516) 3.604 2.067 ( -2.344 -1.078 2.516) 3.604 2.587 ( 3.839 1.398 -1.615) 4.393 2.587 ( 3.839 1.398 1.615) 4.393 2.705 ( -5.371 0.941 -1.946) 5.789 2.705 ( -5.371 0.941 1.946) 5.789 3.472 ( 6.906 0.508 -1.713) 7.133 3.472 ( 6.906 0.508 1.713) 7.133 3.600 ( -5.528 3.134 -2.295) 6.756 3.600 ( -5.528 3.134 2.295) 6.756 5.195 ( 1.840 16.291 -0.611) 16.406 5.195 ( 1.840 16.291 0.611) 16.406 5.663 ( 0.591 -7.517 -0.577) 7.562 5.663 ( 0.591 -7.517 0.577) 7.562 6.278 ( -0.048 -0.924 -1.171) 1.492 6.278 ( -0.048 -0.924 1.171) 1.492 6.397 ( 0.830 -5.621 -0.691) 5.723 6.397 ( 0.830 -5.621 0.691) 5.723 7.163 ( 25.949 -0.678 -5.028) 26.440 7.163 ( 25.949 -0.678 5.028) 26.440 7.538 ( 0.401 2.232 -2.616) 3.462 7.538 ( 0.401 2.232 2.616) 3.462 7.858 ( -6.605 4.814 -3.297) 8.813 7.858 ( -6.605 4.814 3.297) 8.813 8.010 ( -7.050 7.193 -3.683) 10.724 8.010 ( -7.050 7.193 3.683) 10.724 8.328 ( 1.813 7.898 -0.499) 8.119 8.328 ( 1.813 7.898 0.499) 8.119 8.490 ( -9.571 2.692 -2.622) 10.282 8.490 ( -9.571 2.692 2.622) 10.282 8.905 ( 0.927 6.732 -2.359) 7.193 8.905 ( 0.927 6.732 2.359) 7.193 9.095 ( -3.712 2.351 -1.159) 4.544 9.095 ( -3.712 2.351 1.159) 4.544 20.345 ( 1.044 -0.876 -0.842) 1.601 20.345 ( 1.044 -0.876 0.842) 1.601 20.433 ( -1.182 -3.221 -0.502) 3.467 20.433 ( -1.182 -3.221 0.502) 3.467 20.753 ( 0.430 3.131 -0.326) 3.177 20.753 ( 0.430 3.131 0.326) 3.177 20.764 ( -0.314 2.660 -0.380) 2.705 20.764 ( -0.314 2.660 0.380) 2.705 24.957 ( 14.342 -0.404 -0.272) 14.350 24.957 ( 14.342 -0.404 0.272) 14.350 25.234 ( -12.742 -0.337 -0.236) 12.749 25.234 ( -12.742 -0.337 0.236) 12.749 32.430 ( 0.280 -2.044 -0.511) 2.126 32.430 ( 0.280 -2.044 0.511) 2.126 32.441 ( -0.337 -2.353 -0.410) 2.412 32.441 ( -0.337 -2.353 0.410) 2.412 44.030 ( 10.135 8.096 -2.089) 13.138 44.030 ( 10.135 8.096 2.089) 13.138 44.349 ( -6.852 2.884 -2.514) 7.848 44.349 ( -6.852 2.884 2.514) 7.848 44.927 ( 22.459 -3.570 -3.140) 22.957 44.927 ( 22.459 -3.570 3.140) 22.957 45.474 ( -29.234 -1.058 -2.111) 29.330 45.474 ( -29.234 -1.058 2.111) 29.330 ======================= Grid point 387 (116/120) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.978 ( 0.000 0.000 -0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 -0.000 0.000) 0.000 5.538 ( 0.000 0.000 -0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 -0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.386 ( 0.000 -0.000 0.000) 0.000 6.386 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 8.200 ( 0.000 0.000 -0.000) 0.000 8.200 ( 0.000 0.000 0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.557 ( 0.000 0.000 0.000) 0.000 9.557 ( 0.000 -0.000 0.000) 0.000 20.217 ( 0.000 0.000 0.000) 0.000 20.217 ( 0.000 0.000 0.000) 0.000 20.553 ( 0.000 0.000 0.000) 0.000 20.553 ( 0.000 0.000 0.000) 0.000 20.723 ( 0.000 0.000 0.000) 0.000 20.723 ( 0.000 0.000 0.000) 0.000 20.823 ( 0.000 0.000 0.000) 0.000 20.823 ( 0.000 -0.000 0.000) 0.000 24.143 ( 0.000 0.000 0.000) 0.000 24.143 ( 0.000 0.000 0.000) 0.000 25.772 ( 0.000 0.000 0.000) 0.000 25.772 ( 0.000 0.000 0.000) 0.000 32.383 ( 0.000 0.000 0.000) 0.000 32.383 ( 0.000 0.000 0.000) 0.000 32.450 ( 0.000 0.000 0.000) 0.000 32.450 ( 0.000 0.000 0.000) 0.000 43.277 ( 0.000 0.000 0.000) 0.000 43.277 ( 0.000 0.000 0.000) 0.000 44.067 ( 0.000 0.000 0.000) 0.000 44.067 ( 0.000 0.000 0.000) 0.000 44.838 ( 0.000 0.000 0.000) 0.000 44.838 ( 0.000 0.000 0.000) 0.000 47.202 ( 0.000 0.000 0.000) 0.000 47.202 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 391 (117/120) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.788 0.000 -0.000) 0.788 1.986 ( 0.788 -0.000 0.000) 0.788 2.184 ( -4.517 0.000 0.000) 4.517 2.184 ( -4.517 0.000 0.000) 4.517 2.436 ( 2.261 0.000 -0.000) 2.261 2.436 ( 2.261 0.000 0.000) 2.261 2.956 ( 6.168 -0.000 -0.000) 6.168 2.956 ( 6.168 -0.000 0.000) 6.168 3.015 ( -1.369 0.000 -0.000) 1.369 3.015 ( -1.369 0.000 0.000) 1.369 3.863 ( -0.942 0.000 0.000) 0.942 3.863 ( -0.942 -0.000 0.000) 0.942 5.174 ( 5.874 -0.000 0.000) 5.874 5.174 ( 5.874 0.000 0.000) 5.874 5.317 ( 0.979 0.000 0.000) 0.979 5.317 ( 0.979 0.000 0.000) 0.979 5.666 ( 12.181 0.000 0.000) 12.181 5.666 ( 12.181 0.000 0.000) 12.181 6.272 ( -0.830 0.000 0.000) 0.830 6.272 ( -0.830 0.000 0.000) 0.830 6.387 ( 0.161 -0.000 0.000) 0.161 6.387 ( 0.161 0.000 0.000) 0.161 6.806 ( 6.063 0.000 -0.000) 6.063 6.806 ( 6.063 0.000 0.000) 6.063 8.214 ( 1.276 0.000 -0.000) 1.276 8.214 ( 1.276 0.000 0.000) 1.276 8.242 ( -0.163 0.000 -0.000) 0.163 8.242 ( -0.163 0.000 0.000) 0.163 8.717 ( -3.112 0.000 -0.000) 3.112 8.717 ( -3.112 0.000 0.000) 3.112 9.023 ( -3.239 0.000 -0.000) 3.239 9.023 ( -3.239 0.000 0.000) 3.239 9.194 ( -4.658 0.000 0.000) 4.658 9.194 ( -4.658 0.000 0.000) 4.658 9.505 ( -4.955 0.000 -0.000) 4.955 9.505 ( -4.955 0.000 0.000) 4.955 20.227 ( 0.899 0.000 -0.000) 0.899 20.227 ( 0.899 -0.000 0.000) 0.899 20.536 ( -1.577 0.000 -0.000) 1.577 20.536 ( -1.577 0.000 0.000) 1.577 20.734 ( 0.937 0.000 0.000) 0.937 20.734 ( 0.937 0.000 0.000) 0.937 20.819 ( -0.356 -0.000 -0.000) 0.356 20.819 ( -0.356 -0.000 0.000) 0.356 24.210 ( 6.527 0.000 0.000) 6.527 24.210 ( 6.527 0.000 0.000) 6.527 25.738 ( -3.402 0.000 -0.000) 3.402 25.738 ( -3.402 0.000 0.000) 3.402 32.386 ( 0.237 0.000 0.000) 0.237 32.386 ( 0.237 0.000 0.000) 0.237 32.446 ( -0.379 0.000 0.000) 0.379 32.446 ( -0.379 0.000 0.000) 0.379 43.351 ( 7.193 0.000 0.000) 7.193 43.351 ( 7.193 0.000 0.000) 7.193 44.106 ( 3.858 0.000 0.000) 3.858 44.106 ( 3.858 0.000 0.000) 3.858 44.803 ( -3.364 0.000 0.000) 3.364 44.803 ( -3.364 0.000 0.000) 3.364 47.058 ( -13.951 0.000 0.000) 13.951 47.058 ( -13.951 0.000 0.000) 13.951 ======================= Grid point 395 (118/120) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 1.081 -0.000 -0.000) 1.081 2.006 ( 1.081 -0.000 0.000) 1.081 2.098 ( -3.565 0.000 -0.000) 3.565 2.098 ( -3.565 0.000 0.000) 3.565 2.479 ( 2.075 0.000 -0.000) 2.075 2.479 ( 2.075 0.000 0.000) 2.075 2.958 ( -4.331 -0.000 -0.000) 4.331 2.958 ( -4.331 -0.000 0.000) 4.331 3.115 ( 8.953 0.000 -0.000) 8.953 3.115 ( 8.953 0.000 0.000) 8.953 3.829 ( -2.614 -0.000 0.000) 2.614 3.829 ( -2.614 -0.000 0.000) 2.614 5.317 ( 7.315 -0.000 0.000) 7.315 5.317 ( 7.315 0.000 0.000) 7.315 5.355 ( 2.648 -0.000 0.000) 2.648 5.355 ( 2.648 0.000 0.000) 2.648 6.008 ( 20.690 0.000 -0.000) 20.690 6.008 ( 20.690 0.000 0.000) 20.690 6.259 ( -0.247 0.000 0.000) 0.247 6.259 ( -0.247 0.000 0.000) 0.247 6.396 ( 1.216 0.000 0.000) 1.216 6.396 ( 1.216 0.000 0.000) 1.216 6.990 ( 12.110 0.000 -0.000) 12.110 6.990 ( 12.110 0.000 0.000) 12.110 8.235 ( -0.683 0.000 -0.000) 0.683 8.235 ( -0.683 0.000 0.000) 0.683 8.244 ( 1.351 0.000 -0.000) 1.351 8.244 ( 1.351 0.000 0.000) 1.351 8.600 ( -8.987 0.000 -0.000) 8.987 8.600 ( -8.987 0.000 0.000) 8.987 8.918 ( -7.264 0.000 -0.000) 7.264 8.918 ( -7.264 0.000 0.000) 7.264 9.086 ( -4.956 0.000 -0.000) 4.956 9.086 ( -4.956 0.000 0.000) 4.956 9.371 ( -7.785 0.000 -0.000) 7.785 9.371 ( -7.785 0.000 0.000) 7.785 20.253 ( 1.654 0.000 -0.000) 1.654 20.253 ( 1.654 -0.000 0.000) 1.654 20.495 ( -2.337 0.000 -0.000) 2.337 20.495 ( -2.337 0.000 0.000) 2.337 20.755 ( 1.076 0.000 -0.000) 1.076 20.755 ( 1.076 0.000 0.000) 1.076 20.810 ( -0.466 -0.000 -0.000) 0.466 20.810 ( -0.466 -0.000 0.000) 0.466 24.396 ( 11.517 0.000 0.000) 11.517 24.396 ( 11.517 0.000 0.000) 11.517 25.634 ( -6.808 0.000 -0.000) 6.808 25.634 ( -6.808 0.000 0.000) 6.808 32.392 ( 0.379 0.000 0.000) 0.379 32.392 ( 0.379 0.000 0.000) 0.379 32.437 ( -0.551 0.000 0.000) 0.551 32.437 ( -0.551 -0.000 0.000) 0.551 43.559 ( 12.920 0.000 0.000) 12.920 43.559 ( 12.920 0.000 0.000) 12.920 44.230 ( 8.656 0.000 0.000) 8.656 44.230 ( 8.656 0.000 0.000) 8.656 44.704 ( -6.323 0.000 0.000) 6.323 44.704 ( -6.323 0.000 0.000) 6.323 46.659 ( -24.712 0.000 0.000) 24.712 46.659 ( -24.712 0.000 0.000) 24.712 ======================= Grid point 399 (119/120) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 0.794 -0.000 -0.000) 0.794 2.026 ( 0.794 0.000 0.000) 0.794 2.048 ( -1.382 0.000 0.000) 1.382 2.048 ( -1.382 0.000 0.000) 1.382 2.527 ( 2.833 0.000 -0.000) 2.833 2.527 ( 2.833 0.000 0.000) 2.833 2.845 ( -6.502 -0.000 -0.000) 6.502 2.845 ( -6.502 -0.000 0.000) 6.502 3.301 ( 9.154 0.000 -0.000) 9.154 3.301 ( 9.154 0.000 0.000) 9.154 3.753 ( -4.872 -0.000 -0.000) 4.872 3.753 ( -4.872 -0.000 0.000) 4.872 5.416 ( 3.103 0.000 0.000) 3.103 5.416 ( 3.103 0.000 -0.000) 3.103 5.439 ( 4.359 -0.000 0.000) 4.359 5.439 ( 4.359 0.000 0.000) 4.359 6.265 ( 0.712 -0.000 -0.000) 0.712 6.265 ( 0.712 0.000 0.000) 0.712 6.309 ( 3.072 0.000 -0.000) 3.072 6.309 ( 3.072 0.000 0.000) 3.072 6.601 ( 24.085 0.000 0.000) 24.085 6.601 ( 24.085 0.000 0.000) 24.085 7.289 ( 16.804 0.000 -0.000) 16.804 7.289 ( 16.804 0.000 0.000) 16.804 8.198 ( -10.655 0.000 -0.000) 10.655 8.198 ( -10.655 0.000 0.000) 10.655 8.204 ( -2.958 -0.000 -0.000) 2.958 8.204 ( -2.958 -0.000 0.000) 2.958 8.405 ( -5.121 0.000 -0.000) 5.121 8.405 ( -5.121 0.000 0.000) 5.121 8.726 ( -11.306 0.000 -0.000) 11.306 8.726 ( -11.306 0.000 0.000) 11.306 9.022 ( -1.246 0.000 0.000) 1.246 9.022 ( -1.246 0.000 0.000) 1.246 9.216 ( -6.985 -0.000 -0.000) 6.985 9.216 ( -6.985 0.000 0.000) 6.985 20.292 ( 2.184 0.000 -0.000) 2.184 20.292 ( 2.184 0.000 0.000) 2.184 20.445 ( -2.599 0.000 -0.000) 2.599 20.445 ( -2.599 0.000 0.000) 2.599 20.774 ( 0.794 0.000 -0.000) 0.794 20.774 ( 0.794 0.000 0.000) 0.794 20.802 ( -0.375 -0.000 -0.000) 0.375 20.802 ( -0.375 -0.000 0.000) 0.375 24.660 ( 14.140 0.000 0.000) 14.140 24.660 ( 14.140 0.000 0.000) 14.140 25.463 ( -10.071 0.000 -0.000) 10.071 25.463 ( -10.071 0.000 0.000) 10.071 32.400 ( 0.405 0.000 0.000) 0.405 32.400 ( 0.405 0.000 0.000) 0.405 32.426 ( -0.512 0.000 0.000) 0.512 32.426 ( -0.512 0.000 0.000) 0.512 43.847 ( 14.705 0.000 0.000) 14.705 43.847 ( 14.705 0.000 0.000) 14.705 44.475 ( 16.130 0.000 0.000) 16.130 44.475 ( 16.130 0.000 0.000) 16.130 44.552 ( -8.642 0.000 -0.000) 8.642 44.552 ( -8.642 0.000 0.000) 8.642 46.092 ( -30.377 0.000 0.000) 30.377 46.092 ( -30.377 0.000 0.000) 30.377 ======================= Grid point 403 (120/120) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 0.060 -1.930 -0.967) 2.160 2.036 ( 0.052 -1.921 0.963) 2.149 2.036 ( 0.070 1.921 -0.963) 2.150 2.036 ( 0.062 1.930 0.967) 2.160 2.601 ( 4.537 0.000 -0.000) 4.537 2.601 ( 4.537 0.000 0.000) 4.537 2.712 ( -6.320 -0.000 -0.000) 6.320 2.712 ( -6.320 -0.000 0.000) 6.320 3.479 ( 8.306 0.000 -0.000) 8.306 3.479 ( 8.306 0.000 0.000) 8.306 3.633 ( -6.880 -0.000 0.000) 6.880 3.633 ( -6.880 -0.000 0.000) 6.880 5.471 ( 2.045 0.000 0.000) 2.045 5.471 ( 2.045 0.000 0.000) 2.045 5.488 ( 0.565 -0.000 0.000) 0.565 5.488 ( 0.565 0.000 0.000) 0.565 6.285 ( 1.254 -0.000 -0.000) 1.254 6.285 ( 1.254 0.000 0.000) 1.254 6.311 ( -1.078 0.000 0.000) 1.078 6.311 ( -1.078 0.000 0.000) 1.078 7.155 ( 27.658 0.000 -0.000) 27.658 7.155 ( 27.658 0.000 0.000) 27.658 7.558 ( -0.539 0.000 -0.000) 0.539 7.558 ( -0.539 0.000 0.000) 0.539 7.902 ( -5.839 0.000 -0.000) 5.839 7.902 ( -5.839 0.000 0.000) 5.839 8.076 ( -10.556 -0.000 -0.000) 10.556 8.076 ( -10.556 -0.000 0.000) 10.556 8.408 ( 2.784 0.000 -0.000) 2.784 8.408 ( 2.784 0.000 0.000) 2.784 8.512 ( -8.204 0.000 -0.000) 8.204 8.512 ( -8.204 0.000 0.000) 8.204 9.031 ( 1.988 0.000 0.000) 1.988 9.031 ( 1.988 0.000 -0.000) 1.988 9.098 ( -4.586 -0.000 -0.000) 4.586 9.098 ( -4.586 0.000 0.000) 4.586 20.340 ( 2.491 0.000 0.000) 2.491 20.340 ( 2.491 0.000 0.000) 2.491 20.392 ( -2.623 0.000 -0.000) 2.623 20.392 ( -2.623 0.000 0.000) 2.623 20.787 ( 0.471 0.000 -0.000) 0.471 20.787 ( 0.471 0.000 0.000) 0.471 20.795 ( -0.320 -0.000 -0.000) 0.320 20.795 ( -0.320 -0.000 0.000) 0.320 24.953 ( 14.394 -0.000 0.000) 14.394 24.953 ( 14.394 0.000 0.000) 14.394 25.230 ( -12.804 0.000 0.000) 12.804 25.230 ( -12.804 0.000 0.000) 12.804 32.408 ( 0.385 0.000 0.000) 0.385 32.408 ( 0.385 0.000 0.000) 0.385 32.416 ( -0.417 -0.000 0.000) 0.417 32.416 ( -0.417 0.000 0.000) 0.417 44.126 ( 12.572 0.000 0.000) 12.572 44.126 ( 12.572 0.000 0.000) 12.572 44.358 ( -10.473 0.000 -0.000) 10.473 44.358 ( -10.473 0.000 0.000) 10.473 44.895 ( 25.177 0.000 -0.000) 25.177 44.895 ( 25.177 0.000 0.000) 25.177 45.467 ( -30.474 0.000 0.000) 30.474 45.467 ( -30.474 0.000 0.000) 30.474 =================== 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 3/32400 10.0 610.508 482.187 276.096 0.000 0.000 -0.000 3/32400 20.0 143.723 145.791 82.384 0.000 0.000 -0.000 3/32400 30.0 64.176 63.670 41.818 0.000 0.000 -0.000 3/32400 40.0 37.187 36.706 25.983 0.000 0.000 -0.000 3/32400 50.0 24.366 24.307 17.701 0.000 0.000 -0.000 3/32400 60.0 17.314 17.653 12.899 0.000 0.000 -0.000 3/32400 70.0 13.103 13.713 9.926 0.000 0.000 -0.000 3/32400 80.0 10.425 11.192 7.981 0.000 0.000 -0.000 3/32400 90.0 8.625 9.473 6.642 0.000 0.000 -0.000 3/32400 100.0 7.354 8.236 5.679 0.000 0.000 -0.000 3/32400 110.0 6.420 7.309 4.961 0.000 0.000 -0.000 3/32400 120.0 5.710 6.590 4.408 0.000 0.000 -0.000 3/32400 130.0 5.154 6.017 3.972 0.000 0.000 -0.000 3/32400 140.0 4.710 5.550 3.620 0.000 0.000 -0.000 3/32400 150.0 4.349 5.164 3.332 0.000 0.000 -0.000 3/32400 160.0 4.052 4.841 3.092 0.000 0.000 -0.000 3/32400 170.0 3.805 4.566 2.889 0.000 0.000 -0.000 3/32400 180.0 3.598 4.331 2.717 0.000 0.000 -0.000 3/32400 190.0 3.424 4.128 2.568 0.000 0.000 -0.000 3/32400 200.0 3.276 3.951 2.439 0.000 0.000 -0.000 3/32400 210.0 3.150 3.795 2.326 0.000 0.000 -0.000 3/32400 220.0 3.043 3.658 2.227 0.000 0.000 -0.000 3/32400 230.0 2.951 3.536 2.139 0.000 0.000 0.000 3/32400 240.0 2.872 3.427 2.060 0.000 0.000 0.000 3/32400 250.0 2.804 3.329 1.989 0.000 0.000 0.000 3/32400 260.0 2.745 3.240 1.926 0.000 0.000 0.000 3/32400 270.0 2.694 3.160 1.868 0.000 0.000 0.000 3/32400 280.0 2.650 3.086 1.815 0.000 0.000 0.000 3/32400 290.0 2.611 3.019 1.767 0.000 0.000 0.000 3/32400 300.0 2.577 2.956 1.722 0.000 0.000 0.000 3/32400 310.0 2.546 2.899 1.681 0.000 0.000 0.000 3/32400 320.0 2.519 2.845 1.643 0.000 0.000 0.000 3/32400 330.0 2.495 2.795 1.608 0.000 0.000 0.000 3/32400 340.0 2.474 2.749 1.575 0.000 0.000 0.000 3/32400 350.0 2.454 2.705 1.545 0.000 0.000 0.000 3/32400 360.0 2.436 2.663 1.516 0.000 0.000 0.000 3/32400 370.0 2.420 2.624 1.488 0.000 0.000 0.000 3/32400 380.0 2.404 2.587 1.463 0.000 0.000 0.000 3/32400 390.0 2.390 2.552 1.438 0.000 0.000 0.000 3/32400 400.0 2.377 2.518 1.415 0.000 0.000 0.000 3/32400 410.0 2.364 2.486 1.394 0.000 0.000 0.000 3/32400 420.0 2.351 2.455 1.373 0.000 0.000 0.000 3/32400 430.0 2.340 2.426 1.353 0.000 0.000 0.000 3/32400 440.0 2.328 2.398 1.334 0.000 0.000 0.000 3/32400 450.0 2.317 2.370 1.316 0.000 0.000 0.000 3/32400 460.0 2.306 2.344 1.298 0.000 0.000 0.000 3/32400 470.0 2.296 2.318 1.281 0.000 0.000 0.000 3/32400 480.0 2.285 2.294 1.265 0.000 0.000 0.000 3/32400 490.0 2.275 2.270 1.249 0.000 0.000 0.000 3/32400 500.0 2.265 2.247 1.234 0.000 0.000 0.000 3/32400 510.0 2.254 2.224 1.220 0.000 0.000 0.000 3/32400 520.0 2.244 2.203 1.206 0.000 0.000 0.000 3/32400 530.0 2.234 2.181 1.192 0.000 0.000 0.000 3/32400 540.0 2.224 2.161 1.179 0.000 0.000 0.000 3/32400 550.0 2.214 2.141 1.166 0.000 0.000 0.000 3/32400 560.0 2.204 2.121 1.153 0.000 0.000 0.000 3/32400 570.0 2.194 2.102 1.141 0.000 0.000 0.000 3/32400 580.0 2.184 2.083 1.129 0.000 0.000 0.000 3/32400 590.0 2.174 2.065 1.118 0.000 0.000 0.000 3/32400 600.0 2.164 2.047 1.107 0.000 0.000 0.000 3/32400 610.0 2.154 2.030 1.096 0.000 0.000 0.000 3/32400 620.0 2.144 2.012 1.085 0.000 0.000 0.000 3/32400 630.0 2.134 1.996 1.075 0.000 0.000 0.000 3/32400 640.0 2.124 1.979 1.064 0.000 0.000 0.000 3/32400 650.0 2.114 1.963 1.054 0.000 0.000 0.000 3/32400 660.0 2.104 1.947 1.045 0.000 0.000 0.000 3/32400 670.0 2.094 1.932 1.035 0.000 0.000 0.000 3/32400 680.0 2.084 1.917 1.026 0.000 0.000 0.000 3/32400 690.0 2.074 1.902 1.017 0.000 0.000 0.000 3/32400 700.0 2.064 1.887 1.008 0.000 0.000 0.000 3/32400 710.0 2.054 1.873 0.999 0.000 0.000 0.000 3/32400 720.0 2.044 1.859 0.991 0.000 0.000 0.000 3/32400 730.0 2.034 1.845 0.982 0.000 0.000 0.000 3/32400 740.0 2.024 1.831 0.974 0.000 0.000 0.000 3/32400 750.0 2.014 1.818 0.966 0.000 0.000 0.000 3/32400 760.0 2.005 1.805 0.958 0.000 0.000 0.000 3/32400 770.0 1.995 1.792 0.950 0.000 0.000 0.000 3/32400 780.0 1.985 1.779 0.942 0.000 0.000 0.000 3/32400 790.0 1.976 1.766 0.935 0.000 0.000 0.000 3/32400 800.0 1.966 1.754 0.928 0.000 0.000 0.000 3/32400 810.0 1.956 1.742 0.920 0.000 0.000 0.000 3/32400 820.0 1.947 1.730 0.913 0.000 0.000 0.000 3/32400 830.0 1.937 1.718 0.906 0.000 0.000 0.000 3/32400 840.0 1.928 1.707 0.899 0.000 0.000 0.000 3/32400 850.0 1.918 1.695 0.893 0.000 0.000 0.000 3/32400 860.0 1.909 1.684 0.886 0.000 0.000 0.000 3/32400 870.0 1.900 1.673 0.879 0.000 0.000 0.000 3/32400 880.0 1.891 1.662 0.873 0.000 0.000 0.000 3/32400 890.0 1.881 1.651 0.867 0.000 0.000 0.000 3/32400 900.0 1.872 1.641 0.860 0.000 0.000 0.000 3/32400 910.0 1.863 1.630 0.854 0.000 0.000 0.000 3/32400 920.0 1.854 1.620 0.848 0.000 0.000 0.000 3/32400 930.0 1.845 1.610 0.842 0.000 0.000 0.000 3/32400 940.0 1.837 1.600 0.836 0.000 0.000 0.000 3/32400 950.0 1.828 1.590 0.831 0.000 0.000 0.000 3/32400 960.0 1.819 1.580 0.825 0.000 0.000 0.000 3/32400 970.0 1.810 1.570 0.819 0.000 0.000 0.000 3/32400 980.0 1.802 1.561 0.814 0.000 0.000 0.000 3/32400 990.0 1.793 1.552 0.808 0.000 0.000 0.000 3/32400 1000.0 1.785 1.542 0.803 0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m9106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:41:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|