----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:52:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mmc (194) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.331822946319928 0.000000000000000 0.000000000000000 b -1.665911473159964 2.885443312424974 0.000000000000000 c 0.000000000000000 0.000000000000000 20.827109709999998 Atomic positions (fractional): *1 C 0.33333333333333 0.66666666666667 0.14024674138119 12.011 2 C 0.66666666666667 0.33333333333333 0.64024674138119 12.011 3 C 0.66666666666667 0.33333333333333 0.85975325861881 12.011 4 C 0.33333333333333 0.66666666666667 0.35975325861881 12.011 *5 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 6 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 *7 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 8 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 *9 Al 0.33333333333333 0.66666666666667 0.25000000000000 26.982 10 Al 0.66666666666667 0.33333333333333 0.75000000000000 26.982 *11 Al 0.00000000000000 0.00000000000000 0.84616638735558 26.982 12 Al 0.00000000000000 0.00000000000000 0.34616638735558 26.982 *13 Al 0.66666666666667 0.33333333333333 0.95212006486031 26.982 14 Al 0.33333333333333 0.66666666666667 0.45212006486031 26.982 15 Al 0.66666666666667 0.33333333333333 0.54787993513969 26.982 16 Al 0.33333333333333 0.66666666666667 0.04787993513969 26.982 17 Al 0.00000000000000 0.00000000000000 0.65383361264442 26.982 18 Al 0.00000000000000 0.00000000000000 0.15383361264442 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.331822946319928 0.000000000000000 0.000000000000000 b -1.665911473159964 2.885443312424974 0.000000000000000 c 0.000000000000000 0.000000000000000 20.827109709999998 Atomic positions (fractional): *1 C 0.33333333333333 0.66666666666667 0.14024674138119 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.64024674138119 12.011 > 2 3 C 0.66666666666667 0.33333333333333 0.85975325861881 12.011 > 3 4 C 0.33333333333333 0.66666666666667 0.35975325861881 12.011 > 4 *5 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 5 6 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 6 *7 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 > 7 8 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 > 8 *9 Al 0.33333333333333 0.66666666666667 0.25000000000000 26.982 > 9 10 Al 0.66666666666667 0.33333333333333 0.75000000000000 26.982 > 10 *11 Al 0.00000000000000 0.00000000000000 0.84616638735558 26.982 > 11 12 Al 0.00000000000000 0.00000000000000 0.34616638735558 26.982 > 12 *13 Al 0.66666666666667 0.33333333333333 0.95212006486031 26.982 > 13 14 Al 0.33333333333333 0.66666666666667 0.45212006486031 26.982 > 14 15 Al 0.66666666666667 0.33333333333333 0.54787993513969 26.982 > 15 16 Al 0.33333333333333 0.66666666666667 0.04787993513969 26.982 > 16 17 Al 0.00000000000000 0.00000000000000 0.65383361264442 26.982 > 17 18 Al 0.00000000000000 0.00000000000000 0.15383361264442 26.982 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.663645892639856 0.000000000000000 0.000000000000000 b -3.331822946319928 5.770886624849948 0.000000000000000 c 0.000000000000000 0.000000000000000 20.827109709999998 Atomic positions (fractional): *1 C 0.16666666666667 0.33333333333333 0.14024674138119 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.14024674138119 12.011 > 1 3 C 0.16666666666667 0.83333333333333 0.14024674138119 12.011 > 1 4 C 0.66666666666667 0.83333333333333 0.14024674138119 12.011 > 1 5 C 0.33333333333333 0.16666666666667 0.64024674138119 12.011 > 2 6 C 0.83333333333333 0.16666666666667 0.64024674138119 12.011 > 2 7 C 0.33333333333333 0.66666666666667 0.64024674138119 12.011 > 2 8 C 0.83333333333333 0.66666666666667 0.64024674138119 12.011 > 2 9 C 0.33333333333333 0.16666666666667 0.85975325861881 12.011 > 3 10 C 0.83333333333333 0.16666666666667 0.85975325861881 12.011 > 3 11 C 0.33333333333333 0.66666666666667 0.85975325861881 12.011 > 3 12 C 0.83333333333333 0.66666666666667 0.85975325861881 12.011 > 3 13 C 0.16666666666667 0.33333333333333 0.35975325861881 12.011 > 4 14 C 0.66666666666667 0.33333333333333 0.35975325861881 12.011 > 4 15 C 0.16666666666667 0.83333333333333 0.35975325861881 12.011 > 4 16 C 0.66666666666667 0.83333333333333 0.35975325861881 12.011 > 4 *17 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 5 18 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 > 5 19 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 > 5 20 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 > 5 21 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 6 22 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 6 23 C 0.00000000000000 0.50000000000000 0.00000000000000 12.011 > 6 24 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 > 6 *25 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 > 7 26 N 0.50000000000000 0.00000000000000 0.25000000000000 14.007 > 7 27 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 7 28 N 0.50000000000000 0.50000000000000 0.25000000000000 14.007 > 7 29 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 > 8 30 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 8 31 N 0.00000000000000 0.50000000000000 0.75000000000000 14.007 > 8 32 N 0.50000000000000 0.50000000000000 0.75000000000000 14.007 > 8 *33 Al 0.16666666666667 0.33333333333333 0.25000000000000 26.982 > 9 34 Al 0.66666666666667 0.33333333333333 0.25000000000000 26.982 > 9 35 Al 0.16666666666667 0.83333333333333 0.25000000000000 26.982 > 9 36 Al 0.66666666666667 0.83333333333333 0.25000000000000 26.982 > 9 37 Al 0.33333333333333 0.16666666666667 0.75000000000000 26.982 > 10 38 Al 0.83333333333333 0.16666666666667 0.75000000000000 26.982 > 10 39 Al 0.33333333333333 0.66666666666667 0.75000000000000 26.982 > 10 40 Al 0.83333333333333 0.66666666666667 0.75000000000000 26.982 > 10 *41 Al 0.00000000000000 0.00000000000000 0.84616638735558 26.982 > 11 42 Al 0.50000000000000 0.00000000000000 0.84616638735558 26.982 > 11 43 Al 0.00000000000000 0.50000000000000 0.84616638735558 26.982 > 11 44 Al 0.50000000000000 0.50000000000000 0.84616638735558 26.982 > 11 45 Al 0.00000000000000 0.00000000000000 0.34616638735558 26.982 > 12 46 Al 0.50000000000000 0.00000000000000 0.34616638735558 26.982 > 12 47 Al 0.00000000000000 0.50000000000000 0.34616638735558 26.982 > 12 48 Al 0.50000000000000 0.50000000000000 0.34616638735558 26.982 > 12 *49 Al 0.33333333333333 0.16666666666667 0.95212006486031 26.982 > 13 50 Al 0.83333333333333 0.16666666666667 0.95212006486031 26.982 > 13 51 Al 0.33333333333333 0.66666666666667 0.95212006486031 26.982 > 13 52 Al 0.83333333333333 0.66666666666667 0.95212006486031 26.982 > 13 53 Al 0.16666666666667 0.33333333333333 0.45212006486031 26.982 > 14 54 Al 0.66666666666667 0.33333333333333 0.45212006486031 26.982 > 14 55 Al 0.16666666666667 0.83333333333333 0.45212006486031 26.982 > 14 56 Al 0.66666666666667 0.83333333333333 0.45212006486031 26.982 > 14 57 Al 0.33333333333333 0.16666666666667 0.54787993513969 26.982 > 15 58 Al 0.83333333333333 0.16666666666667 0.54787993513969 26.982 > 15 59 Al 0.33333333333333 0.66666666666667 0.54787993513969 26.982 > 15 60 Al 0.83333333333333 0.66666666666667 0.54787993513969 26.982 > 15 61 Al 0.16666666666667 0.33333333333333 0.04787993513969 26.982 > 16 62 Al 0.66666666666667 0.33333333333333 0.04787993513969 26.982 > 16 63 Al 0.16666666666667 0.83333333333333 0.04787993513969 26.982 > 16 64 Al 0.66666666666667 0.83333333333333 0.04787993513969 26.982 > 16 65 Al 0.00000000000000 0.00000000000000 0.65383361264442 26.982 > 17 66 Al 0.50000000000000 0.00000000000000 0.65383361264442 26.982 > 17 67 Al 0.00000000000000 0.50000000000000 0.65383361264442 26.982 > 17 68 Al 0.50000000000000 0.50000000000000 0.65383361264442 26.982 > 17 69 Al 0.00000000000000 0.00000000000000 0.15383361264442 26.982 > 18 70 Al 0.50000000000000 0.00000000000000 0.15383361264442 26.982 > 18 71 Al 0.00000000000000 0.50000000000000 0.15383361264442 26.982 > 18 72 Al 0.50000000000000 0.50000000000000 0.15383361264442 26.982 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.1518684 -0.0000000 0.0000000 0.0000000 7.1518684 0.0000000 0.0000000 0.0000000 8.0427936 -------------------------- Born effective charges -------------------------- 1 C -2.8429940 -0.0000000 0.0000000 0.0000000 -2.8429940 0.0000000 0.0000000 0.0000000 -3.4130689 2 C -2.8429940 -0.0000000 0.0000000 0.0000000 -2.8429940 0.0000000 0.0000000 0.0000000 -3.4130689 3 C -2.8429940 -0.0000000 0.0000000 0.0000000 -2.8429940 0.0000000 0.0000000 0.0000000 -3.4130689 4 C -2.8429940 -0.0000000 0.0000000 0.0000000 -2.8429940 0.0000000 0.0000000 0.0000000 -3.4130689 5 C -4.0284259 -0.0000000 0.0000000 0.0000000 -4.0284259 0.0000000 0.0000000 0.0000000 -2.9089866 6 C -4.0284259 -0.0000000 0.0000000 0.0000000 -4.0284259 0.0000000 0.0000000 0.0000000 -2.9089866 7 N -2.5614595 0.0000000 0.0000000 0.0000000 -2.5614595 0.0000000 0.0000000 0.0000000 -4.3725024 8 N -2.5614595 0.0000000 0.0000000 0.0000000 -2.5614595 0.0000000 0.0000000 0.0000000 -4.3725024 9 Al 2.3506193 0.0000000 0.0000000 0.0000000 2.3506193 0.0000000 0.0000000 0.0000000 4.4148736 10 Al 2.3506193 0.0000000 0.0000000 0.0000000 2.3506193 0.0000000 0.0000000 0.0000000 4.4148736 11 Al 2.4182434 0.0000000 0.0000000 0.0000000 2.4182434 0.0000000 0.0000000 0.0000000 2.4588516 12 Al 2.4182434 0.0000000 0.0000000 0.0000000 2.4182434 0.0000000 0.0000000 0.0000000 2.4588516 13 Al 2.5443837 -0.0000000 0.0000000 0.0000000 2.5443837 0.0000000 0.0000000 0.0000000 2.3875250 14 Al 2.5443837 -0.0000000 0.0000000 0.0000000 2.5443837 0.0000000 0.0000000 0.0000000 2.3875250 15 Al 2.5443837 -0.0000000 0.0000000 0.0000000 2.5443837 0.0000000 0.0000000 0.0000000 2.3875250 16 Al 2.5443837 -0.0000000 0.0000000 0.0000000 2.5443837 0.0000000 0.0000000 0.0000000 2.3875250 17 Al 2.4182434 0.0000000 0.0000000 0.0000000 2.4182434 0.0000000 0.0000000 0.0000000 2.4588516 18 Al 2.4182434 0.0000000 0.0000000 0.0000000 2.4182434 0.0000000 0.0000000 0.0000000 2.4588516 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 6048/6048 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 338 Number of blocks in projector: 288 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (338, 326), data: False |-- (78, 78), data: True |-- (104, 98), data: True |-- (156, 150), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 160 - Time: 0.137 Solver_block: 160 / 160 - Time: 0.100 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.241 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 6048/6048 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 338 Number of blocks in projector: 288 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (338, 326), data: False |-- (78, 78), data: True |-- (104, 98), data: True |-- (156, 150), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:52:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:52:09]------------------------- 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: P6_3/mmc (194) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.331822946319928 0.000000000000000 0.000000000000000 b -1.665911473159964 2.885443312424974 0.000000000000000 c 0.000000000000000 0.000000000000000 20.827109709999998 Atomic positions (fractional): 1 C 0.33333333333333 0.66666666666667 0.14024674138119 12.011 2 C 0.66666666666667 0.33333333333333 0.64024674138119 12.011 3 C 0.66666666666667 0.33333333333333 0.85975325861881 12.011 4 C 0.33333333333333 0.66666666666667 0.35975325861881 12.011 5 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 6 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 7 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 8 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 9 Al 0.33333333333333 0.66666666666667 0.25000000000000 26.982 10 Al 0.66666666666667 0.33333333333333 0.75000000000000 26.982 11 Al 0.00000000000000 0.00000000000000 0.84616638735558 26.982 12 Al 0.00000000000000 0.00000000000000 0.34616638735558 26.982 13 Al 0.66666666666667 0.33333333333333 0.95212006486031 26.982 14 Al 0.33333333333333 0.66666666666667 0.45212006486031 26.982 15 Al 0.66666666666667 0.33333333333333 0.54787993513969 26.982 16 Al 0.33333333333333 0.66666666666667 0.04787993513969 26.982 17 Al 0.00000000000000 0.00000000000000 0.65383361264442 26.982 18 Al 0.00000000000000 0.00000000000000 0.15383361264442 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.663645892639856 0.000000000000000 0.000000000000000 b -3.331822946319928 5.770886624849948 0.000000000000000 c 0.000000000000000 0.000000000000000 20.827109709999998 Atomic positions (fractional): 1 C 0.16666666666667 0.33333333333333 0.14024674138119 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.14024674138119 12.011 > 1 3 C 0.16666666666667 0.83333333333333 0.14024674138119 12.011 > 1 4 C 0.66666666666667 0.83333333333333 0.14024674138119 12.011 > 1 5 C 0.33333333333333 0.16666666666667 0.64024674138119 12.011 > 5 6 C 0.83333333333333 0.16666666666667 0.64024674138119 12.011 > 5 7 C 0.33333333333333 0.66666666666667 0.64024674138119 12.011 > 5 8 C 0.83333333333333 0.66666666666667 0.64024674138119 12.011 > 5 9 C 0.33333333333333 0.16666666666667 0.85975325861881 12.011 > 9 10 C 0.83333333333333 0.16666666666667 0.85975325861881 12.011 > 9 11 C 0.33333333333333 0.66666666666667 0.85975325861881 12.011 > 9 12 C 0.83333333333333 0.66666666666667 0.85975325861881 12.011 > 9 13 C 0.16666666666667 0.33333333333333 0.35975325861881 12.011 > 13 14 C 0.66666666666667 0.33333333333333 0.35975325861881 12.011 > 13 15 C 0.16666666666667 0.83333333333333 0.35975325861881 12.011 > 13 16 C 0.66666666666667 0.83333333333333 0.35975325861881 12.011 > 13 17 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 17 18 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 > 17 19 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 > 17 20 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 > 17 21 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 21 22 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 21 23 C 0.00000000000000 0.50000000000000 0.00000000000000 12.011 > 21 24 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 > 21 25 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 > 25 26 N 0.50000000000000 0.00000000000000 0.25000000000000 14.007 > 25 27 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 25 28 N 0.50000000000000 0.50000000000000 0.25000000000000 14.007 > 25 29 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 > 29 30 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 29 31 N 0.00000000000000 0.50000000000000 0.75000000000000 14.007 > 29 32 N 0.50000000000000 0.50000000000000 0.75000000000000 14.007 > 29 33 Al 0.16666666666667 0.33333333333333 0.25000000000000 26.982 > 33 34 Al 0.66666666666667 0.33333333333333 0.25000000000000 26.982 > 33 35 Al 0.16666666666667 0.83333333333333 0.25000000000000 26.982 > 33 36 Al 0.66666666666667 0.83333333333333 0.25000000000000 26.982 > 33 37 Al 0.33333333333333 0.16666666666667 0.75000000000000 26.982 > 37 38 Al 0.83333333333333 0.16666666666667 0.75000000000000 26.982 > 37 39 Al 0.33333333333333 0.66666666666667 0.75000000000000 26.982 > 37 40 Al 0.83333333333333 0.66666666666667 0.75000000000000 26.982 > 37 41 Al 0.00000000000000 0.00000000000000 0.84616638735558 26.982 > 41 42 Al 0.50000000000000 0.00000000000000 0.84616638735558 26.982 > 41 43 Al 0.00000000000000 0.50000000000000 0.84616638735558 26.982 > 41 44 Al 0.50000000000000 0.50000000000000 0.84616638735558 26.982 > 41 45 Al 0.00000000000000 0.00000000000000 0.34616638735558 26.982 > 45 46 Al 0.50000000000000 0.00000000000000 0.34616638735558 26.982 > 45 47 Al 0.00000000000000 0.50000000000000 0.34616638735558 26.982 > 45 48 Al 0.50000000000000 0.50000000000000 0.34616638735558 26.982 > 45 49 Al 0.33333333333333 0.16666666666667 0.95212006486031 26.982 > 49 50 Al 0.83333333333333 0.16666666666667 0.95212006486031 26.982 > 49 51 Al 0.33333333333333 0.66666666666667 0.95212006486031 26.982 > 49 52 Al 0.83333333333333 0.66666666666667 0.95212006486031 26.982 > 49 53 Al 0.16666666666667 0.33333333333333 0.45212006486031 26.982 > 53 54 Al 0.66666666666667 0.33333333333333 0.45212006486031 26.982 > 53 55 Al 0.16666666666667 0.83333333333333 0.45212006486031 26.982 > 53 56 Al 0.66666666666667 0.83333333333333 0.45212006486031 26.982 > 53 57 Al 0.33333333333333 0.16666666666667 0.54787993513969 26.982 > 57 58 Al 0.83333333333333 0.16666666666667 0.54787993513969 26.982 > 57 59 Al 0.33333333333333 0.66666666666667 0.54787993513969 26.982 > 57 60 Al 0.83333333333333 0.66666666666667 0.54787993513969 26.982 > 57 61 Al 0.16666666666667 0.33333333333333 0.04787993513969 26.982 > 61 62 Al 0.66666666666667 0.33333333333333 0.04787993513969 26.982 > 61 63 Al 0.16666666666667 0.83333333333333 0.04787993513969 26.982 > 61 64 Al 0.66666666666667 0.83333333333333 0.04787993513969 26.982 > 61 65 Al 0.00000000000000 0.00000000000000 0.65383361264442 26.982 > 65 66 Al 0.50000000000000 0.00000000000000 0.65383361264442 26.982 > 65 67 Al 0.00000000000000 0.50000000000000 0.65383361264442 26.982 > 65 68 Al 0.50000000000000 0.50000000000000 0.65383361264442 26.982 > 65 69 Al 0.00000000000000 0.00000000000000 0.15383361264442 26.982 > 69 70 Al 0.50000000000000 0.00000000000000 0.15383361264442 26.982 > 69 71 Al 0.00000000000000 0.50000000000000 0.15383361264442 26.982 > 69 72 Al 0.50000000000000 0.50000000000000 0.15383361264442 26.982 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.1518684 -0.0000000 0.0000000 0.0000000 7.1518684 0.0000000 0.0000000 0.0000000 8.0427936 -------------------------- Born effective charges -------------------------- 1 C -2.8429940 -0.0000000 0.0000000 0.0000000 -2.8429940 0.0000000 0.0000000 0.0000000 -3.4130689 2 C -2.8429940 -0.0000000 0.0000000 0.0000000 -2.8429940 0.0000000 0.0000000 0.0000000 -3.4130689 3 C -2.8429940 -0.0000000 0.0000000 0.0000000 -2.8429940 0.0000000 0.0000000 0.0000000 -3.4130689 4 C -2.8429940 -0.0000000 0.0000000 0.0000000 -2.8429940 0.0000000 0.0000000 0.0000000 -3.4130689 5 C -4.0284259 -0.0000000 0.0000000 0.0000000 -4.0284259 0.0000000 0.0000000 0.0000000 -2.9089866 6 C -4.0284259 -0.0000000 0.0000000 0.0000000 -4.0284259 0.0000000 0.0000000 0.0000000 -2.9089866 7 N -2.5614595 0.0000000 0.0000000 0.0000000 -2.5614595 0.0000000 0.0000000 0.0000000 -4.3725024 8 N -2.5614595 0.0000000 0.0000000 0.0000000 -2.5614595 0.0000000 0.0000000 0.0000000 -4.3725024 9 Al 2.3506193 0.0000000 0.0000000 0.0000000 2.3506193 0.0000000 0.0000000 0.0000000 4.4148736 10 Al 2.3506193 0.0000000 0.0000000 0.0000000 2.3506193 0.0000000 0.0000000 0.0000000 4.4148736 11 Al 2.4182434 0.0000000 0.0000000 0.0000000 2.4182434 0.0000000 0.0000000 0.0000000 2.4588516 12 Al 2.4182434 0.0000000 0.0000000 0.0000000 2.4182434 0.0000000 0.0000000 0.0000000 2.4588516 13 Al 2.5443837 -0.0000000 0.0000000 0.0000000 2.5443837 0.0000000 0.0000000 0.0000000 2.3875250 14 Al 2.5443837 -0.0000000 0.0000000 0.0000000 2.5443837 0.0000000 0.0000000 0.0000000 2.3875250 15 Al 2.5443837 -0.0000000 0.0000000 0.0000000 2.5443837 0.0000000 0.0000000 0.0000000 2.3875250 16 Al 2.5443837 -0.0000000 0.0000000 0.0000000 2.5443837 0.0000000 0.0000000 0.0000000 2.3875250 17 Al 2.4182434 0.0000000 0.0000000 0.0000000 2.4182434 0.0000000 0.0000000 0.0000000 2.4588516 18 Al 2.4182434 0.0000000 0.0000000 0.0000000 2.4182434 0.0000000 0.0000000 0.0000000 2.4588516 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000043 (xyx) -0.00000043 (xyx) -0.00000043 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:52:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:52:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: P6_3/mmc (194) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.331822946319928 0.000000000000000 0.000000000000000 b -1.665911473159964 2.885443312424974 0.000000000000000 c 0.000000000000000 0.000000000000000 20.827109709999998 Atomic positions (fractional): 1 C 0.33333333333333 0.66666666666667 0.14024674138119 12.011 2 C 0.66666666666667 0.33333333333333 0.64024674138119 12.011 3 C 0.66666666666667 0.33333333333333 0.85975325861881 12.011 4 C 0.33333333333333 0.66666666666667 0.35975325861881 12.011 5 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 6 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 7 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 8 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 9 Al 0.33333333333333 0.66666666666667 0.25000000000000 26.982 10 Al 0.66666666666667 0.33333333333333 0.75000000000000 26.982 11 Al 0.00000000000000 0.00000000000000 0.84616638735558 26.982 12 Al 0.00000000000000 0.00000000000000 0.34616638735558 26.982 13 Al 0.66666666666667 0.33333333333333 0.95212006486031 26.982 14 Al 0.33333333333333 0.66666666666667 0.45212006486031 26.982 15 Al 0.66666666666667 0.33333333333333 0.54787993513969 26.982 16 Al 0.33333333333333 0.66666666666667 0.04787993513969 26.982 17 Al 0.00000000000000 0.00000000000000 0.65383361264442 26.982 18 Al 0.00000000000000 0.00000000000000 0.15383361264442 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.663645892639856 0.000000000000000 0.000000000000000 b -3.331822946319928 5.770886624849948 0.000000000000000 c 0.000000000000000 0.000000000000000 20.827109709999998 Atomic positions (fractional): 1 C 0.16666666666667 0.33333333333333 0.14024674138119 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.14024674138119 12.011 > 1 3 C 0.16666666666667 0.83333333333333 0.14024674138119 12.011 > 1 4 C 0.66666666666667 0.83333333333333 0.14024674138119 12.011 > 1 5 C 0.33333333333333 0.16666666666667 0.64024674138119 12.011 > 5 6 C 0.83333333333333 0.16666666666667 0.64024674138119 12.011 > 5 7 C 0.33333333333333 0.66666666666667 0.64024674138119 12.011 > 5 8 C 0.83333333333333 0.66666666666667 0.64024674138119 12.011 > 5 9 C 0.33333333333333 0.16666666666667 0.85975325861881 12.011 > 9 10 C 0.83333333333333 0.16666666666667 0.85975325861881 12.011 > 9 11 C 0.33333333333333 0.66666666666667 0.85975325861881 12.011 > 9 12 C 0.83333333333333 0.66666666666667 0.85975325861881 12.011 > 9 13 C 0.16666666666667 0.33333333333333 0.35975325861881 12.011 > 13 14 C 0.66666666666667 0.33333333333333 0.35975325861881 12.011 > 13 15 C 0.16666666666667 0.83333333333333 0.35975325861881 12.011 > 13 16 C 0.66666666666667 0.83333333333333 0.35975325861881 12.011 > 13 17 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 17 18 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 > 17 19 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 > 17 20 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 > 17 21 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 21 22 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 21 23 C 0.00000000000000 0.50000000000000 0.00000000000000 12.011 > 21 24 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 > 21 25 N 0.00000000000000 0.00000000000000 0.25000000000000 14.007 > 25 26 N 0.50000000000000 0.00000000000000 0.25000000000000 14.007 > 25 27 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 25 28 N 0.50000000000000 0.50000000000000 0.25000000000000 14.007 > 25 29 N 0.00000000000000 0.00000000000000 0.75000000000000 14.007 > 29 30 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 29 31 N 0.00000000000000 0.50000000000000 0.75000000000000 14.007 > 29 32 N 0.50000000000000 0.50000000000000 0.75000000000000 14.007 > 29 33 Al 0.16666666666667 0.33333333333333 0.25000000000000 26.982 > 33 34 Al 0.66666666666667 0.33333333333333 0.25000000000000 26.982 > 33 35 Al 0.16666666666667 0.83333333333333 0.25000000000000 26.982 > 33 36 Al 0.66666666666667 0.83333333333333 0.25000000000000 26.982 > 33 37 Al 0.33333333333333 0.16666666666667 0.75000000000000 26.982 > 37 38 Al 0.83333333333333 0.16666666666667 0.75000000000000 26.982 > 37 39 Al 0.33333333333333 0.66666666666667 0.75000000000000 26.982 > 37 40 Al 0.83333333333333 0.66666666666667 0.75000000000000 26.982 > 37 41 Al 0.00000000000000 0.00000000000000 0.84616638735558 26.982 > 41 42 Al 0.50000000000000 0.00000000000000 0.84616638735558 26.982 > 41 43 Al 0.00000000000000 0.50000000000000 0.84616638735558 26.982 > 41 44 Al 0.50000000000000 0.50000000000000 0.84616638735558 26.982 > 41 45 Al 0.00000000000000 0.00000000000000 0.34616638735558 26.982 > 45 46 Al 0.50000000000000 0.00000000000000 0.34616638735558 26.982 > 45 47 Al 0.00000000000000 0.50000000000000 0.34616638735558 26.982 > 45 48 Al 0.50000000000000 0.50000000000000 0.34616638735558 26.982 > 45 49 Al 0.33333333333333 0.16666666666667 0.95212006486031 26.982 > 49 50 Al 0.83333333333333 0.16666666666667 0.95212006486031 26.982 > 49 51 Al 0.33333333333333 0.66666666666667 0.95212006486031 26.982 > 49 52 Al 0.83333333333333 0.66666666666667 0.95212006486031 26.982 > 49 53 Al 0.16666666666667 0.33333333333333 0.45212006486031 26.982 > 53 54 Al 0.66666666666667 0.33333333333333 0.45212006486031 26.982 > 53 55 Al 0.16666666666667 0.83333333333333 0.45212006486031 26.982 > 53 56 Al 0.66666666666667 0.83333333333333 0.45212006486031 26.982 > 53 57 Al 0.33333333333333 0.16666666666667 0.54787993513969 26.982 > 57 58 Al 0.83333333333333 0.16666666666667 0.54787993513969 26.982 > 57 59 Al 0.33333333333333 0.66666666666667 0.54787993513969 26.982 > 57 60 Al 0.83333333333333 0.66666666666667 0.54787993513969 26.982 > 57 61 Al 0.16666666666667 0.33333333333333 0.04787993513969 26.982 > 61 62 Al 0.66666666666667 0.33333333333333 0.04787993513969 26.982 > 61 63 Al 0.16666666666667 0.83333333333333 0.04787993513969 26.982 > 61 64 Al 0.66666666666667 0.83333333333333 0.04787993513969 26.982 > 61 65 Al 0.00000000000000 0.00000000000000 0.65383361264442 26.982 > 65 66 Al 0.50000000000000 0.00000000000000 0.65383361264442 26.982 > 65 67 Al 0.00000000000000 0.50000000000000 0.65383361264442 26.982 > 65 68 Al 0.50000000000000 0.50000000000000 0.65383361264442 26.982 > 65 69 Al 0.00000000000000 0.00000000000000 0.15383361264442 26.982 > 69 70 Al 0.50000000000000 0.00000000000000 0.15383361264442 26.982 > 69 71 Al 0.00000000000000 0.50000000000000 0.15383361264442 26.982 > 69 72 Al 0.50000000000000 0.50000000000000 0.15383361264442 26.982 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.1518684 -0.0000000 0.0000000 0.0000000 7.1518684 0.0000000 0.0000000 0.0000000 8.0427936 -------------------------- Born effective charges -------------------------- 1 C -2.8429940 -0.0000000 0.0000000 0.0000000 -2.8429940 0.0000000 0.0000000 0.0000000 -3.4130689 2 C -2.8429940 -0.0000000 0.0000000 0.0000000 -2.8429940 0.0000000 0.0000000 0.0000000 -3.4130689 3 C -2.8429940 -0.0000000 0.0000000 0.0000000 -2.8429940 0.0000000 0.0000000 0.0000000 -3.4130689 4 C -2.8429940 -0.0000000 0.0000000 0.0000000 -2.8429940 0.0000000 0.0000000 0.0000000 -3.4130689 5 C -4.0284259 -0.0000000 0.0000000 0.0000000 -4.0284259 0.0000000 0.0000000 0.0000000 -2.9089866 6 C -4.0284259 -0.0000000 0.0000000 0.0000000 -4.0284259 0.0000000 0.0000000 0.0000000 -2.9089866 7 N -2.5614595 0.0000000 0.0000000 0.0000000 -2.5614595 0.0000000 0.0000000 0.0000000 -4.3725024 8 N -2.5614595 0.0000000 0.0000000 0.0000000 -2.5614595 0.0000000 0.0000000 0.0000000 -4.3725024 9 Al 2.3506193 0.0000000 0.0000000 0.0000000 2.3506193 0.0000000 0.0000000 0.0000000 4.4148736 10 Al 2.3506193 0.0000000 0.0000000 0.0000000 2.3506193 0.0000000 0.0000000 0.0000000 4.4148736 11 Al 2.4182434 0.0000000 0.0000000 0.0000000 2.4182434 0.0000000 0.0000000 0.0000000 2.4588516 12 Al 2.4182434 0.0000000 0.0000000 0.0000000 2.4182434 0.0000000 0.0000000 0.0000000 2.4588516 13 Al 2.5443837 -0.0000000 0.0000000 0.0000000 2.5443837 0.0000000 0.0000000 0.0000000 2.3875250 14 Al 2.5443837 -0.0000000 0.0000000 0.0000000 2.5443837 0.0000000 0.0000000 0.0000000 2.3875250 15 Al 2.5443837 -0.0000000 0.0000000 0.0000000 2.5443837 0.0000000 0.0000000 0.0000000 2.3875250 16 Al 2.5443837 -0.0000000 0.0000000 0.0000000 2.5443837 0.0000000 0.0000000 0.0000000 2.3875250 17 Al 2.4182434 0.0000000 0.0000000 0.0000000 2.4182434 0.0000000 0.0000000 0.0000000 2.4588516 18 Al 2.4182434 0.0000000 0.0000000 0.0000000 2.4182434 0.0000000 0.0000000 0.0000000 2.4588516 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000043 (xyx) -0.00000043 (xyx) -0.00000043 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 17 17 2 ] 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: 0.71, Number of G-points: 311, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/66) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 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 2.614 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.558 ( 0.000 0.000 0.000) 0.000 8.558 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 9.287 ( 0.000 0.000 0.000) 0.000 10.487 ( 0.000 0.000 0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.863 ( 0.000 0.000 0.000) 0.000 12.891 ( 0.000 0.000 0.000) 0.000 12.891 ( 0.000 0.000 0.000) 0.000 12.909 ( 0.000 0.000 0.000) 0.000 12.909 ( 0.000 0.000 0.000) 0.000 14.726 ( 0.000 0.000 0.000) 0.000 15.090 ( 0.000 0.000 0.000) 0.000 15.469 ( 0.000 0.000 0.000) 0.000 17.768 ( 0.000 0.000 0.000) 0.000 19.021 ( 0.000 0.000 0.000) 0.000 19.098 ( 0.000 0.000 0.000) 0.000 19.098 ( 0.000 0.000 0.000) 0.000 19.098 ( 0.000 0.000 0.000) 0.000 19.098 ( 0.000 0.000 0.000) 0.000 22.477 ( 0.000 0.000 0.000) 0.000 22.477 ( 0.000 0.000 0.000) 0.000 22.488 ( 0.000 0.000 0.000) 0.000 22.488 ( 0.000 0.000 0.000) 0.000 22.507 ( 0.000 0.000 0.000) 0.000 22.507 ( 0.000 0.000 0.000) 0.000 22.525 ( 0.000 0.000 0.000) 0.000 22.525 ( 0.000 0.000 0.000) 0.000 22.622 ( 0.000 0.000 0.000) 0.000 23.368 ( 0.000 0.000 0.000) 0.000 24.632 ( 0.000 0.000 0.000) 0.000 24.969 ( 0.000 0.000 0.000) 0.000 24.991 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/66) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 41.250 23.816 0.000) 47.631 1.384 ( 58.277 33.646 0.000) 67.292 2.114 ( 88.303 50.982 0.000) 101.964 2.763 ( 12.191 7.039 0.000) 14.077 2.772 ( 14.148 8.168 0.000) 16.336 3.106 ( -2.688 -1.552 0.000) 3.104 3.382 ( 15.875 9.165 0.000) 18.331 4.866 ( 10.373 5.989 0.000) 11.978 5.016 ( 14.840 8.568 0.000) 17.135 5.283 ( 10.895 6.290 0.000) 12.580 5.382 ( 40.827 23.572 0.000) 47.143 5.399 ( -3.118 -1.800 0.000) 3.600 5.930 ( 6.703 3.870 0.000) 7.740 6.554 ( 7.442 4.296 0.000) 8.593 6.844 ( 29.921 17.275 0.000) 34.549 7.388 ( 47.105 27.196 0.000) 54.392 8.138 ( 0.747 0.431 0.000) 0.863 8.166 ( 2.209 1.275 0.000) 2.551 8.381 ( 0.148 0.085 0.000) 0.170 8.464 ( 6.879 3.972 0.000) 7.944 8.590 ( 6.172 3.563 0.000) 7.127 8.643 ( 7.103 4.101 0.000) 8.202 8.755 ( 5.808 3.353 0.000) 6.707 8.916 ( 18.529 10.698 0.000) 21.395 9.658 ( 28.168 16.263 0.000) 32.525 10.081 ( -26.066 -15.049 0.000) 30.098 11.260 ( -4.556 -2.630 0.000) 5.260 11.802 ( -3.039 -1.754 0.000) 3.509 12.915 ( 1.991 1.150 0.000) 2.299 12.932 ( 1.886 1.089 0.000) 2.178 13.174 ( 15.029 8.677 0.000) 17.354 14.659 ( -20.350 -11.749 0.000) 23.499 14.874 ( 13.355 7.710 0.000) 15.421 15.477 ( 0.616 0.356 0.000) 0.712 15.742 ( 24.903 14.378 0.000) 28.756 17.389 ( -26.575 -15.343 0.000) 30.687 18.703 ( -24.512 -14.152 0.000) 28.304 19.086 ( -0.973 -0.562 0.000) 1.123 19.087 ( -0.939 -0.542 0.000) 1.084 19.130 ( 1.004 0.580 0.000) 1.160 19.764 ( -0.718 -0.415 0.000) 0.829 21.144 ( -59.935 -34.603 0.000) 69.207 22.480 ( 0.230 0.133 0.000) 0.266 22.489 ( 0.099 0.057 0.000) 0.115 22.489 ( -0.705 -0.407 0.000) 0.814 22.508 ( 0.141 0.081 0.000) 0.162 22.524 ( -0.057 -0.033 0.000) 0.066 22.526 ( 0.086 0.049 0.000) 0.099 23.508 ( 10.807 6.240 0.000) 12.479 23.549 ( 28.491 16.450 0.000) 32.899 24.823 ( 12.515 7.226 0.000) 14.451 24.858 ( -9.176 -5.298 0.000) 10.596 24.906 ( -6.452 -3.725 0.000) 7.450 25.975 ( -4.801 -2.772 0.000) 5.544 ======================= Grid point 2 (3/66) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 38.577 22.272 0.000) 44.545 2.715 ( 52.773 30.469 0.000) 60.937 3.151 ( 19.816 11.441 0.000) 22.881 3.201 ( 12.777 7.377 0.000) 14.753 3.236 ( 26.523 15.313 0.000) 30.627 3.876 ( 24.754 14.292 0.000) 28.583 4.167 ( 83.313 48.101 0.000) 96.201 4.735 ( -23.589 -13.619 0.000) 27.239 5.202 ( 17.428 10.062 0.000) 20.124 5.427 ( 18.579 10.727 0.000) 21.454 6.149 ( 11.495 6.637 0.000) 13.274 6.236 ( 35.682 20.601 0.000) 41.202 6.626 ( 61.689 35.616 0.000) 71.232 6.802 ( 13.330 7.696 0.000) 15.392 7.689 ( 37.135 21.440 0.000) 42.879 8.157 ( 0.848 0.489 0.000) 0.979 8.186 ( -0.512 -0.296 0.000) 0.591 8.397 ( 1.410 0.814 0.000) 1.629 8.424 ( 17.821 10.289 0.000) 20.577 8.865 ( 46.305 26.734 0.000) 53.468 8.883 ( 13.010 7.511 0.000) 15.023 8.964 ( 25.446 14.691 0.000) 29.382 8.966 ( 11.963 6.907 0.000) 13.813 9.482 ( 27.458 15.853 0.000) 31.706 9.715 ( 4.756 2.746 0.000) 5.492 10.491 ( 40.785 23.547 0.000) 47.094 11.131 ( -5.591 -3.228 0.000) 6.456 11.858 ( 10.495 6.060 0.000) 12.119 12.981 ( 3.571 2.062 0.000) 4.123 12.995 ( 3.388 1.956 0.000) 3.912 13.376 ( 1.372 0.792 0.000) 1.584 14.197 ( -18.538 -10.703 0.000) 21.406 15.342 ( 23.477 13.554 0.000) 27.109 15.497 ( 1.841 1.063 0.000) 2.126 16.341 ( 24.939 14.399 0.000) 28.797 16.736 ( -26.302 -15.185 0.000) 30.370 18.015 ( -31.068 -17.937 0.000) 35.874 19.052 ( -1.889 -1.091 0.000) 2.182 19.054 ( -1.884 -1.088 0.000) 2.175 19.111 ( -2.489 -1.437 0.000) 2.873 19.728 ( -2.594 -1.497 0.000) 2.995 19.889 ( -45.031 -25.999 0.000) 51.998 22.430 ( -4.370 -2.523 0.000) 5.046 22.487 ( 0.333 0.192 0.000) 0.385 22.493 ( 0.288 0.166 0.000) 0.332 22.514 ( 0.302 0.174 0.000) 0.348 22.523 ( -0.048 -0.028 0.000) 0.056 22.526 ( -0.185 -0.107 0.000) 0.213 23.792 ( 11.577 6.684 0.000) 13.368 23.891 ( 1.208 0.697 0.000) 1.395 24.558 ( -15.766 -9.103 0.000) 18.205 24.747 ( -5.750 -3.320 0.000) 6.640 25.057 ( 5.558 3.209 0.000) 6.418 25.804 ( -9.739 -5.623 0.000) 11.245 ======================= Grid point 3 (4/66) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 34.461 19.896 0.000) 39.792 3.440 ( 15.397 8.890 0.000) 17.779 3.657 ( 22.449 12.961 0.000) 25.922 3.954 ( 33.495 19.338 0.000) 38.677 3.978 ( 31.645 18.270 0.000) 36.540 4.378 ( 7.129 4.116 0.000) 8.232 4.489 ( 26.248 15.154 0.000) 30.308 5.651 ( 20.005 11.550 0.000) 23.100 5.700 ( 24.546 14.172 0.000) 28.344 6.172 ( 65.788 37.983 0.000) 75.966 6.450 ( 13.597 7.850 0.000) 15.700 6.756 ( 6.885 3.975 0.000) 7.951 7.163 ( 16.926 9.772 0.000) 19.544 8.117 ( 31.994 18.472 0.000) 36.943 8.185 ( 1.796 1.037 0.000) 2.074 8.221 ( 35.653 20.584 0.000) 41.169 8.280 ( 5.228 3.018 0.000) 6.036 8.457 ( 3.854 2.225 0.000) 4.451 8.798 ( 35.942 20.751 0.000) 41.502 9.239 ( 16.915 9.766 0.000) 19.532 9.303 ( 16.292 9.406 0.000) 18.813 9.671 ( 30.126 17.393 0.000) 34.786 10.160 ( 31.248 18.041 0.000) 36.082 10.291 ( 61.343 35.417 0.000) 70.833 10.422 ( 50.595 29.211 0.000) 58.422 11.047 ( 0.294 0.170 0.000) 0.340 11.487 ( 41.320 23.856 0.000) 47.712 12.349 ( 30.386 17.543 0.000) 35.086 13.078 ( 4.583 2.646 0.000) 5.292 13.087 ( 4.367 2.521 0.000) 5.042 13.292 ( -6.840 -3.949 0.000) 7.899 13.833 ( -10.298 -5.946 0.000) 11.892 15.456 ( -3.043 -1.757 0.000) 3.514 15.961 ( 24.505 14.148 0.000) 28.296 16.145 ( -21.922 -12.657 0.000) 25.314 16.929 ( 22.835 13.184 0.000) 26.368 17.350 ( -23.575 -13.611 0.000) 27.222 18.998 ( -2.714 -1.567 0.000) 3.133 18.999 ( -2.742 -1.583 0.000) 3.166 19.025 ( -4.583 -2.646 0.000) 5.293 19.037 ( -27.823 -16.064 0.000) 32.127 19.633 ( -5.621 -3.245 0.000) 6.491 22.292 ( -7.137 -4.120 0.000) 8.241 22.494 ( 0.277 0.160 0.000) 0.320 22.503 ( 0.561 0.324 0.000) 0.648 22.512 ( -1.092 -0.631 0.000) 1.261 22.522 ( 0.234 0.135 0.000) 0.270 22.523 ( 0.299 0.172 0.000) 0.345 23.690 ( -15.546 -8.975 0.000) 17.951 23.999 ( 5.364 3.097 0.000) 6.194 24.142 ( -18.967 -10.951 0.000) 21.901 24.632 ( -5.245 -3.028 0.000) 6.057 25.064 ( -4.653 -2.686 0.000) 5.373 25.519 ( -14.273 -8.241 0.000) 16.481 ======================= Grid point 4 (5/66) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( 29.148 16.829 0.000) 33.658 3.640 ( 2.354 1.359 0.000) 2.718 4.181 ( 21.613 12.478 0.000) 24.956 4.188 ( 9.742 5.625 0.000) 11.249 4.769 ( 34.839 20.114 0.000) 40.229 5.074 ( 22.901 13.222 0.000) 26.444 5.311 ( 46.422 26.802 0.000) 53.603 6.083 ( 13.955 8.057 0.000) 16.114 6.116 ( 19.104 11.030 0.000) 22.059 6.754 ( -1.884 -1.088 0.000) 2.175 6.774 ( 13.730 7.927 0.000) 15.854 7.580 ( 18.144 10.475 0.000) 20.951 7.589 ( 37.431 21.611 0.000) 43.222 8.246 ( 3.342 1.930 0.000) 3.859 8.278 ( -2.463 -1.422 0.000) 2.844 8.374 ( 28.895 16.682 0.000) 33.365 8.577 ( 6.142 3.546 0.000) 7.092 9.660 ( 18.406 10.626 0.000) 21.253 9.697 ( 56.732 32.754 0.000) 65.508 9.711 ( 17.886 10.326 0.000) 20.653 9.820 ( 43.780 25.277 0.000) 50.553 10.280 ( 26.559 15.334 0.000) 30.668 10.945 ( 30.518 17.620 0.000) 35.239 11.008 ( 9.292 5.364 0.000) 10.729 11.637 ( 42.206 24.368 0.000) 48.735 11.886 ( 62.694 36.196 0.000) 72.393 12.302 ( 27.245 15.730 0.000) 31.460 13.166 ( 34.979 20.195 0.000) 40.391 13.178 ( 2.912 1.681 0.000) 3.362 13.193 ( 5.083 2.935 0.000) 5.870 13.197 ( 4.879 2.817 0.000) 5.634 13.882 ( 18.046 10.419 0.000) 20.838 15.304 ( -9.830 -5.675 0.000) 11.351 15.719 ( -12.887 -7.440 0.000) 14.881 16.466 ( 17.584 10.152 0.000) 20.305 16.974 ( -7.457 -4.305 0.000) 8.611 17.410 ( 17.612 10.168 0.000) 20.336 18.548 ( -14.332 -8.275 0.000) 16.550 18.906 ( -5.253 -3.033 0.000) 6.066 18.926 ( -3.346 -1.932 0.000) 3.863 18.927 ( -3.360 -1.940 0.000) 3.880 19.465 ( -8.384 -4.840 0.000) 9.681 22.104 ( -8.641 -4.989 0.000) 9.978 22.473 ( -2.264 -1.307 0.000) 2.614 22.501 ( 0.319 0.184 0.000) 0.369 22.518 ( 0.630 0.364 0.000) 0.727 22.526 ( 0.230 0.133 0.000) 0.266 22.536 ( 0.626 0.361 0.000) 0.723 23.250 ( -20.694 -11.948 0.000) 23.895 23.687 ( -19.278 -11.130 0.000) 22.260 24.035 ( -2.196 -1.268 0.000) 2.536 24.462 ( -9.384 -5.418 0.000) 10.836 24.861 ( -12.031 -6.946 0.000) 13.892 25.139 ( -17.822 -10.289 0.000) 20.579 ======================= Grid point 5 (6/66) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( 5.016 2.896 0.000) 5.792 4.155 ( 22.891 13.216 0.000) 26.432 4.441 ( 9.841 5.682 0.000) 11.363 4.658 ( 18.732 10.815 0.000) 21.630 5.550 ( 30.444 17.577 0.000) 35.153 5.552 ( 17.584 10.152 0.000) 20.305 6.321 ( 37.735 21.786 0.000) 43.573 6.412 ( 14.436 8.335 0.000) 16.670 6.537 ( 16.493 9.522 0.000) 19.044 6.805 ( 7.630 4.405 0.000) 8.810 7.087 ( 12.616 7.284 0.000) 14.568 7.925 ( 5.214 3.011 0.000) 6.021 7.999 ( 17.043 9.840 0.000) 19.680 8.200 ( -3.448 -1.991 0.000) 3.981 8.336 ( 3.994 2.306 0.000) 4.611 8.733 ( 6.815 3.935 0.000) 7.869 9.445 ( 45.708 26.389 0.000) 52.779 10.087 ( 17.453 10.077 0.000) 20.154 10.125 ( 16.931 9.775 0.000) 19.550 10.453 ( 17.338 10.010 0.000) 20.021 10.576 ( 17.010 9.821 0.000) 19.642 11.183 ( 18.333 10.584 0.000) 21.169 11.466 ( 32.344 18.674 0.000) 37.347 11.518 ( 41.642 24.042 0.000) 48.084 12.063 ( -5.240 -3.025 0.000) 6.051 13.008 ( 36.604 21.133 0.000) 42.267 13.204 ( 47.258 27.285 0.000) 54.569 13.313 ( 4.933 2.848 0.000) 5.696 13.314 ( 5.096 2.942 0.000) 5.884 13.775 ( 13.027 7.521 0.000) 15.042 13.810 ( 46.752 26.993 0.000) 53.985 14.593 ( 36.643 21.156 0.000) 42.312 15.060 ( -7.580 -4.376 0.000) 8.752 15.650 ( 9.186 5.303 0.000) 10.607 16.753 ( 7.470 4.313 0.000) 8.626 17.002 ( 7.905 4.564 0.000) 9.128 17.743 ( 10.418 6.015 0.000) 12.030 18.341 ( -3.612 -2.086 0.000) 4.171 18.790 ( -4.316 -2.492 0.000) 4.983 18.843 ( -3.609 -2.084 0.000) 4.168 18.845 ( -3.568 -2.060 0.000) 4.119 19.260 ( -8.341 -4.816 0.000) 9.632 21.895 ( -8.857 -5.114 0.000) 10.227 22.410 ( -2.927 -1.690 0.000) 3.379 22.509 ( 0.366 0.211 0.000) 0.422 22.532 ( 0.568 0.328 0.000) 0.656 22.533 ( 0.410 0.237 0.000) 0.473 22.552 ( 0.681 0.393 0.000) 0.786 22.752 ( -21.034 -12.144 0.000) 24.288 23.252 ( -17.428 -10.062 0.000) 20.124 23.906 ( -8.495 -4.905 0.000) 9.809 24.192 ( -13.337 -7.700 0.000) 15.400 24.520 ( -16.485 -9.518 0.000) 19.035 24.691 ( -19.975 -11.533 0.000) 23.065 ======================= Grid point 6 (7/66) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( 6.741 3.892 0.000) 7.783 4.616 ( 16.192 9.349 0.000) 18.697 4.643 ( 7.795 4.501 0.000) 9.001 5.052 ( 14.554 8.403 0.000) 16.805 5.904 ( 12.434 7.179 0.000) 14.358 6.143 ( 18.900 10.912 0.000) 21.824 6.787 ( 17.651 10.191 0.000) 20.382 6.887 ( 13.135 7.583 0.000) 15.167 6.914 ( 13.729 7.926 0.000) 15.853 7.210 ( 22.695 13.103 0.000) 26.206 7.355 ( 9.929 5.733 0.000) 11.465 8.054 ( 6.613 3.818 0.000) 7.637 8.169 ( 2.762 1.595 0.000) 3.189 8.366 ( 13.859 8.001 0.000) 16.003 8.422 ( 3.092 1.785 0.000) 3.570 8.884 ( 5.785 3.340 0.000) 6.680 10.180 ( 16.129 9.312 0.000) 18.624 10.465 ( 14.317 8.266 0.000) 16.532 10.491 ( 13.818 7.978 0.000) 15.955 10.682 ( -3.703 -2.138 0.000) 4.276 10.786 ( 4.225 2.440 0.000) 4.879 11.430 ( 22.588 13.041 0.000) 26.082 11.747 ( -16.442 -9.493 0.000) 18.986 12.328 ( 35.444 20.464 0.000) 40.927 12.737 ( 50.044 28.893 0.000) 57.786 13.424 ( 4.379 2.528 0.000) 5.056 13.428 ( 4.493 2.594 0.000) 5.188 13.804 ( -6.399 -3.695 0.000) 7.389 13.898 ( 7.743 4.470 0.000) 8.940 13.943 ( 40.005 23.097 0.000) 46.194 14.876 ( 37.821 21.836 0.000) 43.671 15.253 ( 29.090 16.795 0.000) 33.591 15.413 ( 30.616 17.676 0.000) 35.352 16.061 ( 20.477 11.823 0.000) 23.645 16.909 ( 6.245 3.606 0.000) 7.211 17.203 ( 7.988 4.612 0.000) 9.224 17.889 ( 1.916 1.106 0.000) 2.213 18.366 ( 5.376 3.104 0.000) 6.208 18.725 ( -0.617 -0.356 0.000) 0.712 18.761 ( -3.273 -1.890 0.000) 3.780 18.763 ( -3.258 -1.881 0.000) 3.762 19.113 ( -3.404 -1.965 0.000) 3.930 21.699 ( -7.486 -4.322 0.000) 8.644 22.282 ( -18.549 -10.709 0.000) 21.418 22.346 ( -2.128 -1.229 0.000) 2.457 22.518 ( 0.371 0.214 0.000) 0.429 22.544 ( 0.416 0.240 0.000) 0.480 22.544 ( 0.503 0.290 0.000) 0.580 22.567 ( 0.599 0.346 0.000) 0.691 22.881 ( -13.768 -7.949 0.000) 15.898 23.656 ( -12.126 -7.001 0.000) 14.002 23.851 ( -15.226 -8.791 0.000) 17.581 24.107 ( -18.077 -10.437 0.000) 20.874 24.214 ( -20.130 -11.622 0.000) 23.244 ======================= Grid point 7 (8/66) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.991 ( 4.056 2.342 0.000) 4.683 4.819 ( 6.988 4.034 0.000) 8.069 4.919 ( 9.598 5.542 0.000) 11.083 5.335 ( 9.266 5.350 0.000) 10.700 6.140 ( 7.700 4.445 0.000) 8.891 6.449 ( 8.210 4.740 0.000) 9.480 7.148 ( 8.824 5.094 0.000) 10.189 7.185 ( 9.713 5.608 0.000) 11.215 7.194 ( 15.080 8.706 0.000) 17.412 7.524 ( 3.962 2.288 0.000) 4.575 7.544 ( 5.981 3.453 0.000) 6.906 8.245 ( 9.341 5.393 0.000) 10.786 8.408 ( 15.905 9.183 0.000) 18.366 8.475 ( 1.476 0.852 0.000) 1.704 8.639 ( 9.046 5.223 0.000) 10.446 8.998 ( 3.771 2.177 0.000) 4.354 10.273 ( -8.568 -4.947 0.000) 9.893 10.531 ( -1.099 -0.635 0.000) 1.269 10.747 ( 9.434 5.446 0.000) 10.893 10.762 ( 8.991 5.191 0.000) 10.382 10.826 ( -0.774 -0.447 0.000) 0.893 11.374 ( -13.483 -7.784 0.000) 15.569 12.078 ( 26.115 15.078 0.000) 30.155 13.052 ( 24.862 14.354 0.000) 28.708 13.494 ( -2.225 -1.284 0.000) 2.569 13.514 ( 3.071 1.773 0.000) 3.547 13.519 ( 3.140 1.813 0.000) 3.625 13.823 ( -7.646 -4.414 0.000) 8.828 13.888 ( 30.674 17.710 0.000) 35.419 14.805 ( 31.749 18.330 0.000) 36.661 15.621 ( 25.776 14.882 0.000) 29.763 15.968 ( 16.087 9.288 0.000) 18.576 16.019 ( 27.710 15.998 0.000) 31.997 16.418 ( 7.761 4.481 0.000) 8.962 17.023 ( 2.980 1.720 0.000) 3.441 17.390 ( 8.371 4.833 0.000) 9.666 17.862 ( -2.993 -1.728 0.000) 3.456 18.557 ( 9.635 5.563 0.000) 11.126 18.694 ( -2.296 -1.326 0.000) 2.651 18.696 ( -2.326 -1.343 0.000) 2.686 18.785 ( 5.639 3.256 0.000) 6.511 19.098 ( 1.242 0.717 0.000) 1.434 21.558 ( -4.168 -2.407 0.000) 4.813 21.897 ( -13.741 -7.934 0.000) 15.867 22.325 ( 0.544 0.314 0.000) 0.629 22.526 ( 0.298 0.172 0.000) 0.344 22.551 ( 0.227 0.131 0.000) 0.262 22.556 ( 0.431 0.249 0.000) 0.498 22.579 ( 0.392 0.227 0.000) 0.453 22.616 ( -8.634 -4.985 0.000) 9.970 23.369 ( -11.405 -6.584 0.000) 13.169 23.506 ( -13.247 -7.648 0.000) 15.296 23.699 ( -15.751 -9.094 0.000) 18.188 23.771 ( -16.770 -9.682 0.000) 19.364 ======================= Grid point 8 (9/66) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.051 ( 1.166 0.673 0.000) 1.347 4.945 ( 3.021 1.744 0.000) 3.488 5.069 ( 3.185 1.839 0.000) 3.678 5.482 ( 3.180 1.836 0.000) 3.672 6.264 ( 2.670 1.542 0.000) 3.083 6.568 ( 2.327 1.343 0.000) 2.687 7.292 ( 3.181 1.837 0.000) 3.674 7.357 ( 4.423 2.553 0.000) 5.107 7.440 ( 5.334 3.080 0.000) 6.159 7.530 ( -1.256 -0.725 0.000) 1.450 7.636 ( 1.917 1.107 0.000) 2.214 8.444 ( 5.715 3.299 0.000) 6.599 8.495 ( 0.330 0.191 0.000) 0.381 8.736 ( 8.703 5.024 0.000) 10.049 8.784 ( 3.154 1.821 0.000) 3.642 9.058 ( 1.299 0.750 0.000) 1.500 10.036 ( -7.033 -4.060 0.000) 8.120 10.552 ( 0.833 0.481 0.000) 0.961 10.760 ( -3.257 -1.881 0.000) 3.761 10.900 ( 3.378 1.950 0.000) 3.900 10.905 ( 3.036 1.753 0.000) 3.506 11.173 ( -3.595 -2.076 0.000) 4.151 12.529 ( 10.687 6.170 0.000) 12.340 13.350 ( -4.632 -2.674 0.000) 5.349 13.469 ( 10.359 5.981 0.000) 11.961 13.564 ( 1.110 0.641 0.000) 1.282 13.571 ( 1.133 0.654 0.000) 1.309 13.666 ( -4.990 -2.881 0.000) 5.762 14.512 ( 15.818 9.133 0.000) 18.265 15.357 ( 13.094 7.560 0.000) 15.119 16.045 ( 9.523 5.498 0.000) 10.996 16.213 ( 6.807 3.930 0.000) 7.860 16.427 ( -4.986 -2.879 0.000) 5.758 16.439 ( 8.135 4.697 0.000) 9.394 17.059 ( 0.526 0.303 0.000) 0.607 17.567 ( 5.027 2.902 0.000) 5.804 17.803 ( -1.375 -0.794 0.000) 1.588 18.657 ( -0.808 -0.467 0.000) 0.933 18.658 ( -0.868 -0.501 0.000) 1.003 18.747 ( 4.933 2.848 0.000) 5.697 18.933 ( 4.939 2.851 0.000) 5.703 19.124 ( 0.340 0.196 0.000) 0.393 21.514 ( 0.298 0.172 0.000) 0.344 21.651 ( -6.665 -3.848 0.000) 7.696 22.372 ( 3.101 1.790 0.000) 3.581 22.468 ( -4.378 -2.528 0.000) 5.055 22.531 ( 0.120 0.069 0.000) 0.138 22.555 ( 0.065 0.037 0.000) 0.075 22.563 ( 0.174 0.101 0.000) 0.201 22.585 ( 0.131 0.076 0.000) 0.151 23.166 ( -4.880 -2.818 0.000) 5.635 23.273 ( -5.555 -3.207 0.000) 6.414 23.417 ( -6.967 -4.023 0.000) 8.045 23.475 ( -7.141 -4.123 0.000) 8.245 ======================= Grid point 18 (10/66) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 24.534 42.494 0.000) 49.068 2.372 ( 32.330 55.997 0.000) 64.660 3.034 ( 12.267 21.247 0.000) 24.534 3.076 ( 12.918 22.375 0.000) 25.836 3.138 ( 4.013 6.950 0.000) 8.025 3.626 ( 48.299 83.656 0.000) 96.597 3.707 ( 11.976 20.742 0.000) 23.951 4.926 ( -12.785 -22.144 0.000) 25.569 5.087 ( 8.953 15.506 0.000) 17.905 5.318 ( 10.562 18.293 0.000) 21.123 5.883 ( 14.074 24.377 0.000) 28.148 6.195 ( 15.245 26.405 0.000) 30.490 6.243 ( 33.245 57.582 0.000) 66.490 6.711 ( 6.734 11.664 0.000) 13.469 7.461 ( 21.805 37.768 0.000) 43.610 8.136 ( -0.349 -0.604 0.000) 0.698 8.209 ( 1.119 1.939 0.000) 2.238 8.222 ( 25.002 43.305 0.000) 50.004 8.374 ( -0.584 -1.012 0.000) 1.168 8.674 ( 13.182 22.832 0.000) 26.364 8.784 ( 10.104 17.500 0.000) 20.207 8.829 ( 7.787 13.488 0.000) 15.574 8.946 ( 8.448 14.632 0.000) 16.896 9.273 ( 13.790 23.885 0.000) 27.580 9.720 ( -6.210 -10.756 0.000) 12.420 10.235 ( 21.848 37.842 0.000) 43.697 11.166 ( -3.422 -5.927 0.000) 6.844 11.807 ( 2.976 5.154 0.000) 5.951 12.965 ( 2.158 3.738 0.000) 4.316 12.979 ( 2.009 3.480 0.000) 4.018 13.354 ( 2.910 5.040 0.000) 5.820 14.315 ( -11.194 -19.388 0.000) 22.387 15.194 ( 13.272 22.988 0.000) 26.544 15.488 ( 0.338 0.586 0.000) 0.676 16.179 ( 14.762 25.568 0.000) 29.524 16.907 ( -16.117 -27.916 0.000) 32.235 18.211 ( -17.881 -30.972 0.000) 35.763 19.066 ( -0.843 -1.459 0.000) 1.685 19.067 ( -0.832 -1.441 0.000) 1.664 19.124 ( -0.998 -1.729 0.000) 1.996 19.740 ( -1.235 -2.139 0.000) 2.470 20.187 ( -28.829 -49.933 0.000) 57.657 22.453 ( -2.009 -3.479 0.000) 4.018 22.489 ( 0.366 0.634 0.000) 0.732 22.492 ( 0.164 0.284 0.000) 0.327 22.510 ( -0.039 -0.068 0.000) 0.078 22.525 ( 0.069 0.120 0.000) 0.139 22.530 ( 0.237 0.411 0.000) 0.475 23.715 ( 7.096 12.291 0.000) 14.192 23.861 ( 4.634 8.026 0.000) 9.268 24.652 ( -8.286 -14.352 0.000) 16.572 24.785 ( -3.898 -6.751 0.000) 7.796 25.012 ( 4.736 8.203 0.000) 9.472 25.859 ( -4.980 -8.625 0.000) 9.959 ======================= Grid point 19 (11/66) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 25.139 40.120 0.000) 47.345 3.349 ( 11.392 22.543 0.000) 25.258 3.528 ( 15.946 25.184 0.000) 29.808 3.536 ( 34.339 25.357 0.000) 42.687 3.663 ( 24.756 25.777 0.000) 35.739 4.101 ( 14.805 7.279 0.000) 16.498 4.665 ( -3.229 13.795 0.000) 14.167 5.334 ( 50.225 57.271 0.000) 76.175 5.471 ( 16.480 16.624 0.000) 23.408 5.734 ( 20.879 22.402 0.000) 30.623 6.244 ( 13.401 6.669 0.000) 14.968 6.785 ( 9.083 24.539 0.000) 26.166 7.023 ( 13.459 13.815 0.000) 19.287 7.592 ( 50.313 56.540 0.000) 75.684 8.114 ( 12.492 8.943 0.000) 15.363 8.127 ( 0.982 -1.214 0.000) 1.561 8.230 ( -0.699 2.585 0.000) 2.678 8.466 ( 14.537 19.081 0.000) 23.988 8.634 ( 3.679 11.429 0.000) 12.007 9.156 ( 10.576 19.155 0.000) 21.881 9.214 ( 13.041 17.676 0.000) 21.966 9.432 ( 21.658 29.808 0.000) 36.845 9.740 ( 48.135 53.786 0.000) 72.180 9.827 ( 24.231 17.151 0.000) 29.687 9.999 ( 29.834 27.909 0.000) 40.853 11.054 ( -2.570 -3.706 0.000) 4.510 11.114 ( 32.764 35.591 0.000) 48.376 12.106 ( 17.949 19.069 0.000) 26.187 13.062 ( 3.131 5.895 0.000) 6.675 13.068 ( 2.919 5.191 0.000) 5.955 13.338 ( -3.774 -4.893 0.000) 6.179 13.934 ( -11.156 -13.451 0.000) 17.476 15.483 ( -1.377 -0.396 0.000) 1.433 15.739 ( 19.894 21.474 0.000) 29.273 16.343 ( -18.343 -20.228 0.000) 27.306 16.719 ( 18.621 19.766 0.000) 27.156 17.563 ( -20.788 -24.030 0.000) 31.773 19.026 ( -1.995 -1.478 0.000) 2.483 19.029 ( -1.859 -1.348 0.000) 2.297 19.057 ( -2.991 -3.844 0.000) 4.871 19.289 ( -25.364 -29.687 0.000) 39.047 19.668 ( -3.317 -4.603 0.000) 5.674 22.346 ( -4.715 -5.654 0.000) 7.362 22.499 ( 0.054 0.882 0.000) 0.884 22.501 ( -0.290 -1.204 0.000) 1.238 22.505 ( 0.404 1.135 0.000) 1.205 22.529 ( -0.047 0.679 0.000) 0.681 22.543 ( 0.032 1.489 0.000) 1.490 23.804 ( -8.606 -9.946 0.000) 13.152 23.939 ( 6.019 6.518 0.000) 8.872 24.297 ( -13.768 -15.994 0.000) 21.104 24.666 ( -3.471 -4.645 0.000) 5.798 25.084 ( -0.962 -1.686 0.000) 1.941 25.625 ( -9.576 -11.870 0.000) 15.252 ======================= Grid point 20 (12/66) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( 20.569 38.223 0.000) 43.406 3.588 ( 1.802 -0.146 0.000) 1.808 3.974 ( 16.337 0.642 0.000) 16.349 4.079 ( 15.102 27.903 0.000) 31.728 4.427 ( 30.345 26.359 0.000) 40.195 4.862 ( 36.073 33.829 0.000) 49.454 5.049 ( 13.051 33.500 0.000) 35.952 5.890 ( 16.061 11.978 0.000) 20.036 5.978 ( 12.664 13.566 0.000) 18.559 6.506 ( 11.648 -0.847 0.000) 11.678 6.972 ( -4.132 15.650 0.000) 16.186 7.075 ( 53.412 45.357 0.000) 70.072 7.420 ( 14.636 14.292 0.000) 20.456 8.185 ( 7.727 6.014 0.000) 9.792 8.240 ( 4.480 1.114 0.000) 4.616 8.264 ( 1.134 5.128 0.000) 5.252 8.687 ( -3.672 14.010 0.000) 14.484 9.085 ( 54.068 47.185 0.000) 71.762 9.379 ( 39.321 34.945 0.000) 52.605 9.577 ( 12.949 23.584 0.000) 26.905 9.637 ( 11.882 23.125 0.000) 25.999 10.069 ( 17.659 20.656 0.000) 27.176 10.537 ( 34.987 18.703 0.000) 39.673 10.908 ( 15.612 16.013 0.000) 22.364 11.163 ( 34.017 21.573 0.000) 40.281 11.240 ( 55.198 46.963 0.000) 72.473 11.999 ( 28.820 24.326 0.000) 37.714 12.781 ( 30.249 22.901 0.000) 37.940 13.168 ( -1.326 -0.398 0.000) 1.384 13.198 ( 3.789 9.810 0.000) 10.516 13.200 ( -0.088 1.434 0.000) 1.437 13.761 ( 3.736 1.280 0.000) 3.950 15.395 ( -6.408 -4.641 0.000) 7.912 15.867 ( -14.958 -13.621 0.000) 20.231 16.275 ( 18.086 15.840 0.000) 24.042 17.073 ( -12.088 -12.011 0.000) 17.041 17.215 ( 17.296 13.975 0.000) 22.237 18.693 ( -15.864 -16.579 0.000) 22.947 18.938 ( -4.226 -5.226 0.000) 6.721 18.973 ( -3.140 -0.902 0.000) 3.267 18.978 ( -2.819 -0.993 0.000) 2.988 19.525 ( -5.833 -7.407 0.000) 9.428 22.180 ( -6.722 -6.775 0.000) 9.544 22.471 ( -0.964 -2.695 0.000) 2.862 22.510 ( -0.136 1.429 0.000) 1.436 22.525 ( 0.116 1.822 0.000) 1.826 22.537 ( -0.272 1.364 0.000) 1.391 22.561 ( -0.388 2.718 0.000) 2.745 23.437 ( -16.226 -15.666 0.000) 22.554 23.865 ( -16.134 -15.842 0.000) 22.611 24.034 ( 0.837 -0.255 0.000) 0.875 24.529 ( -5.958 -7.300 0.000) 9.423 24.950 ( -7.592 -8.798 0.000) 11.621 25.285 ( -13.359 -14.669 0.000) 19.840 ======================= Grid point 21 (13/66) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 5.813 -4.370 0.000) 7.273 4.090 ( 14.370 35.378 0.000) 38.185 4.297 ( 12.763 6.509 0.000) 14.327 4.608 ( 11.683 28.724 0.000) 31.009 5.227 ( 29.859 24.297 0.000) 38.496 5.477 ( 11.700 22.642 0.000) 25.487 5.939 ( 35.092 33.283 0.000) 48.366 6.243 ( 13.328 8.014 0.000) 15.552 6.358 ( 15.266 11.719 0.000) 19.246 6.653 ( 9.604 -1.726 0.000) 9.758 7.134 ( 1.718 20.312 0.000) 20.385 7.803 ( 13.306 9.650 0.000) 16.437 7.852 ( 8.858 6.866 0.000) 11.207 8.329 ( -0.930 11.588 0.000) 11.626 8.355 ( 1.883 8.498 0.000) 8.704 8.788 ( -0.991 14.659 0.000) 14.693 8.926 ( 45.667 34.659 0.000) 57.330 9.965 ( 15.559 18.900 0.000) 24.481 10.063 ( 10.441 23.809 0.000) 25.998 10.300 ( 17.022 23.104 0.000) 28.698 10.360 ( 28.033 26.559 0.000) 38.617 10.778 ( 44.422 34.622 0.000) 56.321 11.156 ( 18.036 9.810 0.000) 20.532 11.202 ( 20.198 7.208 0.000) 21.446 12.001 ( 15.707 8.298 0.000) 17.764 12.642 ( 27.132 18.527 0.000) 32.854 12.645 ( 50.859 36.996 0.000) 62.891 13.279 ( 6.759 6.754 0.000) 9.555 13.291 ( 11.181 9.906 0.000) 14.938 13.364 ( 20.476 15.121 0.000) 25.454 13.586 ( 20.219 18.195 0.000) 27.200 14.202 ( 30.320 20.305 0.000) 36.491 15.170 ( -10.440 -6.947 0.000) 12.540 15.608 ( -2.006 -2.331 0.000) 3.076 16.664 ( 10.396 9.000 0.000) 13.751 16.929 ( 2.843 0.349 0.000) 2.864 17.596 ( 13.112 7.465 0.000) 15.088 18.372 ( -6.353 -8.798 0.000) 10.852 18.801 ( -4.026 -6.786 0.000) 7.890 18.902 ( -4.095 -0.549 0.000) 4.132 18.918 ( -3.747 0.662 0.000) 3.805 19.323 ( -6.937 -9.075 0.000) 11.423 21.979 ( -7.686 -7.092 0.000) 10.458 22.413 ( -1.604 -4.002 0.000) 4.312 22.522 ( -0.435 1.867 0.000) 1.917 22.545 ( -0.295 2.222 0.000) 2.241 22.546 ( -0.528 1.734 0.000) 1.813 22.583 ( -0.881 3.629 0.000) 3.734 22.958 ( -18.563 -16.405 0.000) 24.774 23.424 ( -15.907 -14.309 0.000) 21.396 23.966 ( -4.811 -5.778 0.000) 7.519 24.299 ( -9.593 -10.568 0.000) 14.273 24.657 ( -12.329 -13.060 0.000) 17.960 24.864 ( -15.961 -16.516 0.000) 22.969 ======================= Grid point 22 (14/66) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.720 ( 9.943 -0.620 0.000) 9.963 4.529 ( 8.737 3.052 0.000) 9.255 4.626 ( 7.654 31.424 0.000) 32.343 5.065 ( 6.931 28.195 0.000) 29.035 5.853 ( 8.228 16.830 0.000) 18.734 5.922 ( 22.423 18.110 0.000) 28.823 6.566 ( 15.627 6.861 0.000) 17.067 6.708 ( 19.076 12.195 0.000) 22.641 6.731 ( 14.368 9.802 0.000) 17.393 6.957 ( 21.921 15.226 0.000) 26.690 7.392 ( 3.251 19.525 0.000) 19.793 7.997 ( 4.702 5.002 0.000) 6.865 8.035 ( 6.833 2.628 0.000) 7.321 8.481 ( 0.354 11.462 0.000) 11.467 8.504 ( -0.278 25.585 0.000) 25.586 8.941 ( 0.001 15.937 0.000) 15.937 9.911 ( 26.173 18.358 0.000) 31.969 10.429 ( 8.296 20.432 0.000) 22.052 10.456 ( 13.325 21.566 0.000) 25.351 10.658 ( 7.563 11.775 0.000) 13.995 10.766 ( 3.998 9.130 0.000) 9.967 11.277 ( 5.879 4.904 0.000) 7.656 11.843 ( 20.782 9.125 0.000) 22.697 11.944 ( 4.391 0.399 0.000) 4.409 12.142 ( 51.744 33.185 0.000) 61.471 13.425 ( 6.468 8.939 0.000) 11.034 13.442 ( 2.147 9.922 0.000) 10.152 13.472 ( 35.582 21.832 0.000) 41.746 13.687 ( 27.984 18.365 0.000) 33.472 13.861 ( -0.730 2.084 0.000) 2.208 14.356 ( 46.687 24.752 0.000) 52.842 15.023 ( 34.344 20.216 0.000) 39.852 15.047 ( 6.510 4.892 0.000) 8.143 15.818 ( 18.441 10.257 0.000) 21.101 16.853 ( 5.416 5.699 0.000) 7.862 17.100 ( 9.099 4.826 0.000) 10.300 17.816 ( 6.741 0.658 0.000) 6.773 18.279 ( 3.127 -4.304 0.000) 5.320 18.670 ( -1.817 -8.077 0.000) 8.279 18.816 ( -4.538 -1.365 0.000) 4.739 18.866 ( -4.056 3.109 0.000) 5.110 19.132 ( -4.020 -7.072 0.000) 8.135 21.774 ( -7.287 -6.637 0.000) 9.856 22.341 ( -1.289 -4.620 0.000) 4.797 22.472 ( -17.718 -15.136 0.000) 23.303 22.531 ( -0.708 1.766 0.000) 1.902 22.550 ( -0.709 0.826 0.000) 1.089 22.558 ( -0.732 1.956 0.000) 2.089 22.601 ( -1.426 3.772 0.000) 4.032 23.029 ( -13.633 -11.237 0.000) 17.667 23.762 ( -9.091 -8.986 0.000) 12.783 23.986 ( -12.221 -12.227 0.000) 17.287 24.270 ( -14.838 -14.733 0.000) 20.910 24.399 ( -17.056 -16.790 0.000) 23.933 ======================= Grid point 23 (15/66) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.885 ( 8.157 -0.282 0.000) 8.162 4.700 ( 8.739 1.011 0.000) 8.797 5.001 ( 1.223 26.924 0.000) 26.952 5.418 ( 1.273 26.487 0.000) 26.518 6.114 ( 5.306 10.987 0.000) 12.201 6.344 ( 10.778 8.196 0.000) 13.540 6.929 ( 16.505 4.614 0.000) 17.138 7.037 ( 12.272 5.905 0.000) 13.619 7.072 ( 12.811 10.751 0.000) 16.724 7.440 ( 11.209 8.608 0.000) 14.133 7.620 ( 0.809 17.453 0.000) 17.472 8.163 ( 7.070 7.495 0.000) 10.303 8.235 ( 10.882 11.715 0.000) 15.989 8.586 ( -2.993 13.305 0.000) 13.637 8.780 ( -0.875 27.501 0.000) 27.515 9.092 ( -2.340 17.036 0.000) 17.196 10.245 ( 4.632 0.204 0.000) 4.636 10.472 ( -3.895 -8.330 0.000) 9.196 10.849 ( -0.837 3.557 0.000) 3.654 10.879 ( -0.110 23.331 0.000) 23.331 10.886 ( 1.921 28.097 0.000) 28.162 11.532 ( -14.687 -10.914 0.000) 18.298 11.738 ( 28.257 15.389 0.000) 32.176 12.696 ( 31.791 15.013 0.000) 35.158 13.272 ( 38.638 22.489 0.000) 44.706 13.521 ( 0.262 2.814 0.000) 2.826 13.566 ( -0.031 11.087 0.000) 11.087 13.783 ( -4.416 6.679 0.000) 8.006 13.900 ( -4.983 -2.422 0.000) 5.541 14.377 ( 37.252 18.812 0.000) 41.732 15.253 ( 32.983 15.568 0.000) 36.472 15.638 ( 33.961 18.537 0.000) 38.691 15.720 ( 24.127 12.250 0.000) 27.058 16.257 ( 16.224 6.681 0.000) 17.546 16.995 ( 3.880 4.659 0.000) 6.063 17.291 ( 7.776 4.069 0.000) 8.776 17.847 ( 0.230 -5.357 0.000) 5.362 18.382 ( 11.368 -2.066 0.000) 11.554 18.588 ( 2.617 -8.814 0.000) 9.194 18.723 ( -2.892 -3.044 0.000) 4.199 18.854 ( -2.303 6.585 0.000) 6.976 19.062 ( 1.154 -2.226 0.000) 2.508 21.601 ( -5.064 -5.257 0.000) 7.299 22.043 ( -14.381 -12.506 0.000) 19.058 22.289 ( 0.862 -4.007 0.000) 4.098 22.527 ( -0.688 -3.563 0.000) 3.629 22.531 ( -0.741 0.547 0.000) 0.921 22.557 ( -0.871 0.440 0.000) 0.976 22.605 ( -1.850 2.299 0.000) 2.951 22.735 ( -9.468 -5.191 0.000) 10.797 23.490 ( -10.586 -8.659 0.000) 13.677 23.642 ( -12.471 -10.939 0.000) 16.589 23.860 ( -14.662 -13.085 0.000) 19.652 23.942 ( -15.908 -14.321 0.000) 21.405 ======================= Grid point 24 (16/66) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.985 ( 4.499 -1.858 0.000) 4.867 4.850 ( 7.501 -0.944 0.000) 7.560 5.221 ( -4.793 22.579 0.000) 23.082 5.642 ( -5.059 23.687 0.000) 24.221 6.266 ( 2.478 5.443 0.000) 5.981 6.522 ( 4.515 2.344 0.000) 5.088 7.178 ( 8.971 0.324 0.000) 8.977 7.277 ( 8.074 5.323 0.000) 9.671 7.372 ( 8.291 8.075 0.000) 11.573 7.544 ( -1.348 1.041 0.000) 1.703 7.770 ( -3.537 16.288 0.000) 16.667 8.386 ( 7.757 8.537 0.000) 11.535 8.592 ( 10.786 12.605 0.000) 16.590 8.639 ( -6.573 13.327 0.000) 14.860 9.005 ( -4.823 25.936 0.000) 26.381 9.193 ( -6.033 16.820 0.000) 17.870 10.092 ( -8.622 -9.229 0.000) 12.630 10.436 ( 4.351 -4.682 0.000) 6.392 10.811 ( -4.603 -1.117 0.000) 4.737 11.079 ( -5.424 23.692 0.000) 24.305 11.122 ( -6.333 26.411 0.000) 27.160 11.239 ( -7.736 -4.814 0.000) 9.111 12.319 ( 20.487 8.162 0.000) 22.053 13.265 ( 19.626 6.604 0.000) 20.708 13.403 ( -5.424 -5.213 0.000) 7.523 13.661 ( -1.502 8.472 0.000) 8.604 13.675 ( -3.415 13.245 0.000) 13.678 13.730 ( -8.766 -0.632 0.000) 8.789 14.244 ( 26.422 14.801 0.000) 30.286 15.098 ( 25.632 9.907 0.000) 27.480 15.844 ( 19.814 6.626 0.000) 20.892 16.104 ( 10.763 4.384 0.000) 11.622 16.271 ( 18.968 8.703 0.000) 20.869 16.434 ( 1.554 -2.678 0.000) 3.096 17.067 ( 0.366 2.615 0.000) 2.641 17.473 ( 8.105 2.858 0.000) 8.594 17.768 ( -0.018 -7.500 0.000) 7.500 18.571 ( 4.668 -8.320 0.000) 9.540 18.583 ( 12.586 -3.496 0.000) 13.062 18.660 ( -0.654 -3.079 0.000) 3.148 18.930 ( 1.809 7.972 0.000) 8.174 19.089 ( 2.283 -0.901 0.000) 2.454 21.504 ( -0.873 -2.900 0.000) 3.029 21.726 ( -8.850 -8.728 0.000) 12.430 22.303 ( 4.374 -2.046 0.000) 4.829 22.458 ( -0.114 -6.764 0.000) 6.765 22.516 ( -0.042 -1.871 0.000) 1.871 22.537 ( -0.099 -2.411 0.000) 2.413 22.577 ( -2.020 -1.534 0.000) 2.536 22.590 ( -3.760 -1.873 0.000) 4.201 23.253 ( -7.918 -3.846 0.000) 8.803 23.361 ( -8.727 -5.614 0.000) 10.377 23.525 ( -10.476 -6.767 0.000) 12.472 23.583 ( -10.854 -7.561 0.000) 13.228 ======================= Grid point 25 (17/66) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.014 ( 1.905 -3.300 0.000) 3.810 4.916 ( 2.424 -4.199 0.000) 4.849 5.294 ( -10.815 18.733 0.000) 21.631 5.719 ( -11.633 20.150 0.000) 23.267 6.315 ( -0.964 1.670 0.000) 1.928 6.572 ( 0.375 -0.649 0.000) 0.750 7.259 ( 1.916 -3.318 0.000) 3.832 7.400 ( -1.480 2.563 0.000) 2.959 7.489 ( -1.221 2.115 0.000) 2.442 7.508 ( -0.266 0.461 0.000) 0.533 7.822 ( -8.261 14.308 0.000) 16.522 8.531 ( -1.611 2.790 0.000) 3.222 8.633 ( -7.758 13.437 0.000) 15.516 8.762 ( -2.810 4.867 0.000) 5.620 9.109 ( -12.542 21.724 0.000) 25.084 9.221 ( -8.747 15.150 0.000) 17.493 9.948 ( 1.395 -2.416 0.000) 2.790 10.452 ( 3.473 -6.015 0.000) 6.946 10.740 ( -0.253 0.438 0.000) 0.505 11.154 ( -11.930 20.663 0.000) 23.860 11.157 ( -0.273 0.473 0.000) 0.546 11.201 ( -13.321 23.072 0.000) 26.641 12.555 ( 2.043 -3.538 0.000) 4.085 13.313 ( 0.491 -0.851 0.000) 0.983 13.533 ( 0.302 -0.524 0.000) 0.605 13.561 ( 2.960 -5.126 0.000) 5.920 13.710 ( -7.327 12.690 0.000) 14.654 13.717 ( -7.319 12.677 0.000) 14.639 14.584 ( 1.271 -2.201 0.000) 2.541 15.392 ( 2.383 -4.128 0.000) 4.767 16.057 ( 2.499 -4.328 0.000) 4.997 16.251 ( 0.886 -1.535 0.000) 1.773 16.359 ( 1.222 -2.117 0.000) 2.445 16.475 ( 0.687 -1.190 0.000) 1.374 17.081 ( -1.071 1.855 0.000) 2.142 17.573 ( 1.290 -2.234 0.000) 2.579 17.728 ( 3.703 -6.413 0.000) 7.406 18.571 ( 4.338 -7.514 0.000) 8.677 18.639 ( 1.308 -2.266 0.000) 2.617 18.687 ( 5.015 -8.686 0.000) 10.030 19.010 ( -2.308 3.997 0.000) 4.616 19.099 ( 1.009 -1.747 0.000) 2.017 21.501 ( 1.035 -1.792 0.000) 2.069 21.581 ( 1.488 -2.578 0.000) 2.976 22.374 ( 1.538 -2.664 0.000) 3.076 22.398 ( 1.825 -3.160 0.000) 3.649 22.503 ( 1.640 -2.840 0.000) 3.279 22.520 ( 1.987 -3.442 0.000) 3.975 22.530 ( 1.908 -3.305 0.000) 3.816 22.548 ( 2.088 -3.616 0.000) 4.175 23.160 ( -1.282 2.221 0.000) 2.565 23.251 ( -0.670 1.161 0.000) 1.340 23.392 ( -0.977 1.692 0.000) 1.954 23.443 ( -0.641 1.111 0.000) 1.283 ======================= Grid point 37 (18/66) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 24.089 41.723 0.000) 48.177 3.595 ( -4.783 -8.285 0.000) 9.566 3.784 ( 11.453 19.838 0.000) 22.907 4.123 ( 18.059 31.280 0.000) 36.119 4.266 ( 19.209 33.270 0.000) 38.417 4.709 ( 25.166 43.589 0.000) 50.332 5.142 ( 16.321 28.269 0.000) 32.642 5.809 ( 9.913 17.170 0.000) 19.826 5.934 ( 9.083 15.732 0.000) 18.165 6.383 ( 3.334 5.774 0.000) 6.667 6.804 ( 36.771 63.689 0.000) 73.541 7.132 ( 5.641 9.771 0.000) 11.283 7.344 ( 10.482 18.155 0.000) 20.964 8.152 ( 3.268 5.661 0.000) 6.537 8.202 ( 4.211 7.294 0.000) 8.423 8.286 ( 2.076 3.596 0.000) 4.152 8.821 ( 4.443 7.696 0.000) 8.887 8.834 ( 36.029 62.405 0.000) 72.059 9.199 ( 25.962 44.968 0.000) 51.924 9.617 ( 14.562 25.222 0.000) 29.124 9.651 ( 14.235 24.656 0.000) 28.470 10.148 ( 20.920 36.235 0.000) 41.841 10.167 ( 10.681 18.500 0.000) 21.362 10.817 ( 28.139 48.738 0.000) 56.278 10.918 ( 24.928 43.177 0.000) 49.857 11.038 ( 11.130 19.277 0.000) 22.259 11.854 ( 19.798 34.291 0.000) 39.595 12.622 ( 17.242 29.864 0.000) 34.484 13.193 ( -4.705 -8.149 0.000) 9.410 13.199 ( 4.288 7.427 0.000) 8.576 13.222 ( 5.765 9.985 0.000) 11.530 13.739 ( -1.400 -2.424 0.000) 2.799 15.430 ( -3.045 -5.275 0.000) 6.091 15.935 ( -10.749 -18.617 0.000) 21.497 16.189 ( 12.400 21.477 0.000) 24.799 17.123 ( -9.999 -17.319 0.000) 19.999 17.126 ( 11.034 19.111 0.000) 22.067 18.752 ( -12.871 -22.294 0.000) 25.743 18.950 ( -3.602 -6.238 0.000) 7.203 18.997 ( -0.970 -1.680 0.000) 1.940 19.000 ( -0.865 -1.499 0.000) 1.731 19.536 ( -4.833 -8.371 0.000) 9.666 22.204 ( -4.691 -8.124 0.000) 9.381 22.465 ( -1.379 -2.389 0.000) 2.758 22.521 ( 0.739 1.281 0.000) 1.479 22.536 ( 1.022 1.770 0.000) 2.044 22.549 ( 0.685 1.187 0.000) 1.371 22.581 ( 1.256 2.176 0.000) 2.512 23.500 ( -10.918 -18.911 0.000) 21.837 23.927 ( -11.367 -19.689 0.000) 22.735 24.022 ( 0.607 1.052 0.000) 1.215 24.541 ( -4.648 -8.050 0.000) 9.296 24.969 ( -5.521 -9.563 0.000) 11.043 25.325 ( -9.978 -17.282 0.000) 19.956 ======================= Grid point 38 (19/66) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 1.337 -4.953 0.000) 5.130 4.170 ( 11.484 12.674 0.000) 17.103 4.248 ( 16.867 42.234 0.000) 45.477 4.742 ( 12.794 35.569 0.000) 37.801 4.999 ( 26.357 29.031 0.000) 39.211 5.481 ( 16.742 25.991 0.000) 30.917 5.819 ( 22.577 39.932 0.000) 45.872 6.136 ( 9.888 12.028 0.000) 15.571 6.254 ( 10.993 13.708 0.000) 17.571 6.489 ( 6.742 0.846 0.000) 6.795 7.305 ( 2.236 14.968 0.000) 15.134 7.728 ( 11.109 16.919 0.000) 20.240 7.760 ( 14.538 17.763 0.000) 22.954 8.395 ( 3.659 8.225 0.000) 9.002 8.435 ( 6.560 17.704 0.000) 18.880 8.614 ( 31.218 38.902 0.000) 49.879 8.961 ( 0.699 13.036 0.000) 13.055 9.873 ( 20.070 27.107 0.000) 33.729 10.167 ( 12.092 30.652 0.000) 32.951 10.176 ( 30.558 41.997 0.000) 51.937 10.339 ( 24.019 45.901 0.000) 51.805 10.519 ( 15.589 26.414 0.000) 30.671 10.874 ( 25.417 12.138 0.000) 28.167 11.037 ( 4.437 4.033 0.000) 5.996 11.762 ( 25.682 25.415 0.000) 36.131 12.249 ( 41.876 50.278 0.000) 65.433 12.441 ( 17.680 20.240 0.000) 26.875 13.131 ( 7.526 5.237 0.000) 9.169 13.175 ( 14.171 14.545 0.000) 20.307 13.366 ( 4.316 10.240 0.000) 11.112 13.518 ( 11.726 20.694 0.000) 23.786 13.971 ( 18.415 19.875 0.000) 27.095 15.259 ( -7.765 -8.409 0.000) 11.446 15.636 ( -5.906 -7.759 0.000) 9.751 16.585 ( 11.154 14.288 0.000) 18.126 16.906 ( -1.857 -3.856 0.000) 4.280 17.471 ( 10.390 10.707 0.000) 14.919 18.387 ( -8.070 -13.198 0.000) 15.470 18.803 ( -4.652 -7.926 0.000) 9.190 18.958 ( -2.325 -0.602 0.000) 2.401 18.972 ( -1.607 0.257 0.000) 1.627 19.332 ( -6.415 -11.303 0.000) 12.997 22.021 ( -6.144 -8.599 0.000) 10.568 22.403 ( -1.994 -4.033 0.000) 4.499 22.549 ( 0.237 2.170 0.000) 2.183 22.573 ( 0.422 2.614 0.000) 2.647 22.573 ( 0.063 1.940 0.000) 1.941 22.627 ( 0.542 3.622 0.000) 3.663 23.068 ( -14.766 -20.090 0.000) 24.933 23.516 ( -12.981 -17.910 0.000) 22.119 23.974 ( -3.251 -5.718 0.000) 6.578 24.331 ( -7.520 -12.033 0.000) 14.190 24.704 ( -9.726 -15.049 0.000) 17.919 24.931 ( -12.974 -19.704 0.000) 23.592 ======================= Grid point 39 (20/66) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.549 ( 8.426 1.188 0.000) 8.510 4.422 ( 7.307 4.731 0.000) 8.705 4.887 ( 7.695 39.940 0.000) 40.674 5.289 ( 7.506 36.128 0.000) 36.900 5.727 ( 23.768 23.621 0.000) 33.509 5.894 ( 7.826 16.572 0.000) 18.327 6.419 ( 10.371 10.282 0.000) 14.604 6.561 ( 15.606 21.266 0.000) 26.377 6.602 ( 12.787 12.829 0.000) 18.113 6.748 ( 19.929 16.265 0.000) 25.724 7.528 ( 4.184 16.327 0.000) 16.854 7.984 ( 4.295 7.214 0.000) 8.396 8.047 ( 5.042 17.978 0.000) 18.672 8.571 ( 3.906 12.207 0.000) 12.816 8.768 ( 3.736 28.945 0.000) 29.185 9.139 ( 0.641 19.620 0.000) 19.630 9.666 ( 32.651 36.050 0.000) 48.639 10.338 ( 14.682 15.241 0.000) 21.163 10.603 ( 0.468 24.162 0.000) 24.166 10.784 ( 5.756 28.752 0.000) 29.322 10.853 ( 3.020 20.574 0.000) 20.794 11.211 ( 9.897 4.351 0.000) 10.811 11.431 ( 32.629 17.423 0.000) 36.989 11.647 ( 45.352 41.752 0.000) 61.645 11.973 ( -5.000 -8.631 0.000) 9.975 13.076 ( 30.282 23.652 0.000) 38.424 13.350 ( 31.354 30.285 0.000) 43.591 13.436 ( 5.769 7.148 0.000) 9.185 13.545 ( 5.341 15.253 0.000) 16.161 13.816 ( 40.998 26.439 0.000) 48.784 13.890 ( 5.474 12.643 0.000) 13.777 14.664 ( 29.997 23.882 0.000) 38.343 15.061 ( -4.334 -2.089 0.000) 4.811 15.654 ( 9.633 6.881 0.000) 11.838 16.837 ( 4.446 8.280 0.000) 9.398 16.985 ( 8.965 4.661 0.000) 10.105 17.696 ( 7.305 1.994 0.000) 7.573 18.191 ( -1.444 -9.118 0.000) 9.231 18.632 ( -4.180 -9.781 0.000) 10.637 18.885 ( -5.174 -2.610 0.000) 5.795 18.952 ( -2.160 2.691 0.000) 3.451 19.117 ( -4.033 -9.362 0.000) 10.194 21.820 ( -6.578 -8.387 0.000) 10.659 22.317 ( -2.051 -5.323 0.000) 5.704 22.569 ( -0.899 2.032 0.000) 2.222 22.580 ( -1.347 0.797 0.000) 1.565 22.593 ( -12.737 -14.497 0.000) 19.297 22.600 ( -3.543 -1.533 0.000) 3.860 22.667 ( -0.812 4.234 0.000) 4.312 23.126 ( -11.948 -14.168 0.000) 18.533 23.801 ( -6.690 -10.020 0.000) 12.048 24.040 ( -9.681 -14.450 0.000) 17.393 24.339 ( -12.111 -17.667 0.000) 21.419 24.481 ( -14.238 -20.490 0.000) 24.951 ======================= Grid point 40 (21/66) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( 9.009 3.759 0.000) 9.762 4.560 ( 6.881 -0.104 0.000) 6.882 5.330 ( 0.082 33.888 0.000) 33.888 5.735 ( 1.594 35.147 0.000) 35.183 6.128 ( 4.837 8.107 0.000) 9.440 6.245 ( 12.701 13.233 0.000) 18.342 6.747 ( 12.755 13.056 0.000) 18.253 6.908 ( 11.555 10.828 0.000) 15.836 6.965 ( 13.030 14.090 0.000) 19.191 7.319 ( 16.422 16.562 0.000) 23.323 7.762 ( 3.702 15.861 0.000) 16.287 8.145 ( 5.024 9.088 0.000) 10.384 8.322 ( 2.592 25.487 0.000) 25.619 8.759 ( 1.240 14.637 0.000) 14.690 9.129 ( -0.620 34.715 0.000) 34.720 9.363 ( -1.728 24.872 0.000) 24.932 10.230 ( 4.570 13.981 0.000) 14.709 10.510 ( -7.171 -6.201 0.000) 9.480 10.959 ( -4.412 9.890 0.000) 10.830 10.977 ( 19.670 26.020 0.000) 32.618 11.210 ( 2.103 37.035 0.000) 37.094 11.518 ( 13.338 19.563 0.000) 23.677 11.654 ( -12.320 -12.676 0.000) 17.676 12.264 ( 34.147 16.272 0.000) 37.826 12.809 ( 42.039 31.792 0.000) 52.707 13.527 ( 0.519 -1.011 0.000) 1.137 13.677 ( 1.153 10.104 0.000) 10.170 13.907 ( 33.339 19.094 0.000) 38.420 13.947 ( 4.347 10.485 0.000) 11.350 14.002 ( -2.046 15.560 0.000) 15.694 14.788 ( 38.248 18.233 0.000) 42.372 15.288 ( 23.625 17.155 0.000) 29.197 15.396 ( 27.571 16.057 0.000) 31.906 16.021 ( 17.874 8.528 0.000) 19.804 16.986 ( 3.805 7.281 0.000) 8.216 17.197 ( 8.125 4.650 0.000) 9.361 17.760 ( 2.328 -6.284 0.000) 6.702 18.153 ( 7.330 -8.325 0.000) 11.092 18.471 ( -1.251 -11.411 0.000) 11.480 18.721 ( -4.292 -9.774 0.000) 10.675 18.957 ( -1.948 5.644 0.000) 5.971 19.039 ( -0.211 -0.231 0.000) 0.313 21.629 ( -5.514 -7.426 0.000) 9.249 22.147 ( -14.013 -16.411 0.000) 21.580 22.234 ( -0.612 -5.688 0.000) 5.721 22.519 ( -3.374 -5.414 0.000) 6.380 22.563 ( -1.935 0.576 0.000) 2.019 22.591 ( -2.169 0.360 0.000) 2.199 22.674 ( -2.708 2.384 0.000) 3.607 22.833 ( -8.522 -6.892 0.000) 10.960 23.560 ( -8.190 -10.003 0.000) 12.928 23.717 ( -10.080 -13.337 0.000) 16.717 23.945 ( -12.042 -16.125 0.000) 20.126 24.034 ( -13.357 -17.924 0.000) 22.353 ======================= Grid point 41 (22/66) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.901 ( 4.647 2.692 0.000) 5.371 4.687 ( 8.579 -2.059 0.000) 8.823 5.592 ( -4.773 26.252 0.000) 26.683 6.051 ( -5.270 32.922 0.000) 33.341 6.241 ( 3.660 0.099 0.000) 3.662 6.491 ( 4.025 8.847 0.000) 9.719 7.059 ( 8.389 9.415 0.000) 12.610 7.208 ( 9.204 11.293 0.000) 14.569 7.330 ( 9.459 15.413 0.000) 18.084 7.587 ( 1.768 6.964 0.000) 7.185 7.984 ( 1.265 17.673 0.000) 17.718 8.347 ( 6.927 9.267 0.000) 11.569 8.662 ( 3.898 27.015 0.000) 27.295 8.896 ( -3.502 15.548 0.000) 15.937 9.428 ( -6.293 35.120 0.000) 35.680 9.559 ( -7.115 27.865 0.000) 28.759 10.204 ( -11.870 -3.492 0.000) 12.373 10.377 ( -0.303 0.635 0.000) 0.704 10.925 ( -7.551 3.873 0.000) 8.486 11.338 ( -9.880 -6.951 0.000) 12.081 11.443 ( 0.740 29.585 0.000) 29.594 11.567 ( -5.739 37.407 0.000) 37.845 12.032 ( 20.917 14.477 0.000) 25.438 12.926 ( 26.112 7.341 0.000) 27.124 13.429 ( -3.683 -5.677 0.000) 6.767 13.701 ( -2.992 -3.323 0.000) 4.471 13.724 ( 25.720 19.880 0.000) 32.508 14.009 ( -7.755 18.768 0.000) 20.307 14.119 ( 0.239 21.709 0.000) 21.711 14.692 ( 31.524 11.959 0.000) 33.717 15.503 ( 26.750 8.626 0.000) 28.107 15.913 ( 17.136 6.863 0.000) 18.460 15.959 ( 27.167 12.579 0.000) 29.938 16.316 ( 9.130 -1.061 0.000) 9.191 17.096 ( 0.874 5.177 0.000) 5.250 17.367 ( 7.011 3.348 0.000) 7.769 17.671 ( -0.524 -11.779 0.000) 11.791 18.265 ( 14.544 -9.604 0.000) 17.429 18.376 ( 4.313 -12.079 0.000) 12.826 18.583 ( 1.071 -11.467 0.000) 11.517 19.004 ( -0.473 7.766 0.000) 7.780 19.068 ( 0.912 3.344 0.000) 3.466 21.489 ( -2.443 -5.576 0.000) 6.088 21.783 ( -9.948 -12.702 0.000) 16.134 22.197 ( 3.018 -4.707 0.000) 5.591 22.385 ( -1.501 -8.970 0.000) 9.095 22.507 ( -2.321 -3.791 0.000) 4.445 22.524 ( -2.638 -4.607 0.000) 5.309 22.607 ( -4.329 -3.414 0.000) 5.514 22.653 ( -6.659 -5.214 0.000) 8.458 23.344 ( -6.952 -4.499 0.000) 8.281 23.445 ( -7.925 -7.290 0.000) 10.768 23.623 ( -9.162 -8.704 0.000) 12.637 23.679 ( -9.834 -10.064 0.000) 14.071 ======================= Grid point 42 (23/66) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.966 ( 1.092 0.850 0.000) 1.383 4.793 ( 6.115 -4.334 0.000) 7.495 5.710 ( -8.513 20.275 0.000) 21.990 6.215 ( -12.438 29.617 0.000) 32.122 6.276 ( 3.432 -4.748 0.000) 5.859 6.595 ( -1.694 7.955 0.000) 8.133 7.225 ( 1.758 5.309 0.000) 5.592 7.446 ( 4.501 10.816 0.000) 11.715 7.556 ( 0.174 11.053 0.000) 11.055 7.591 ( -6.183 3.472 0.000) 7.091 8.130 ( -5.708 17.451 0.000) 18.361 8.539 ( 4.832 4.542 0.000) 6.631 8.930 ( -2.219 19.072 0.000) 19.201 8.946 ( -8.380 15.476 0.000) 17.599 9.612 ( -12.122 32.296 0.000) 34.496 9.660 ( -14.067 27.958 0.000) 31.297 10.000 ( -7.886 1.818 0.000) 8.093 10.375 ( 0.347 -1.195 0.000) 1.244 10.805 ( -6.571 1.763 0.000) 6.803 11.195 ( -3.600 0.635 0.000) 3.655 11.648 ( -11.334 29.694 0.000) 31.784 11.755 ( -14.677 34.690 0.000) 37.667 12.418 ( 10.568 2.757 0.000) 10.922 13.310 ( -2.365 -3.633 0.000) 4.335 13.324 ( 15.706 -1.588 0.000) 15.786 13.569 ( -4.564 -6.262 0.000) 7.749 14.047 ( -7.708 22.558 0.000) 23.839 14.072 ( -10.807 23.273 0.000) 25.660 14.456 ( 12.433 5.647 0.000) 13.655 15.201 ( 16.335 0.444 0.000) 16.341 15.884 ( 12.415 -2.554 0.000) 12.675 16.159 ( 7.769 1.088 0.000) 7.845 16.326 ( -0.808 -7.311 0.000) 7.355 16.377 ( 10.965 1.578 0.000) 11.078 17.131 ( -1.354 3.643 0.000) 3.886 17.499 ( 4.799 -0.140 0.000) 4.801 17.561 ( 3.477 -12.454 0.000) 12.930 18.362 ( 7.313 -12.347 0.000) 14.350 18.406 ( 13.050 -13.759 0.000) 18.964 18.518 ( 4.812 -11.573 0.000) 12.534 19.080 ( 0.176 5.871 0.000) 5.873 19.109 ( -1.442 4.137 0.000) 4.381 21.442 ( 2.165 -3.067 0.000) 3.754 21.551 ( -3.806 -8.201 0.000) 9.041 22.253 ( 7.202 -2.762 0.000) 7.713 22.321 ( 2.724 -6.534 0.000) 7.079 22.430 ( 0.713 -6.455 0.000) 6.494 22.435 ( 0.688 -7.216 0.000) 7.249 22.476 ( -3.083 -8.257 0.000) 8.814 22.478 ( -2.386 -8.624 0.000) 8.948 23.235 ( -4.053 1.945 0.000) 4.495 23.304 ( -3.901 0.065 0.000) 3.902 23.460 ( -4.570 0.365 0.000) 4.585 23.499 ( -4.498 -0.644 0.000) 4.544 ======================= Grid point 55 (24/66) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( 3.098 5.366 0.000) 6.196 4.380 ( 4.162 7.209 0.000) 8.324 5.043 ( 19.604 33.955 0.000) 39.208 5.459 ( 18.775 32.520 0.000) 37.551 5.588 ( 16.620 28.787 0.000) 33.240 5.906 ( 8.863 15.351 0.000) 17.726 6.390 ( 8.028 13.904 0.000) 16.055 6.553 ( 9.165 15.873 0.000) 18.329 6.589 ( 5.558 9.626 0.000) 11.115 6.600 ( 20.280 35.125 0.000) 40.559 7.569 ( 6.956 12.049 0.000) 13.913 7.983 ( 4.778 8.276 0.000) 9.556 8.118 ( 11.667 20.207 0.000) 23.333 8.596 ( 6.450 11.172 0.000) 12.900 8.895 ( 14.835 25.695 0.000) 29.669 9.244 ( 8.793 15.230 0.000) 17.586 9.546 ( 27.078 46.900 0.000) 54.156 10.294 ( 8.955 15.510 0.000) 17.909 10.780 ( 13.645 23.633 0.000) 27.289 10.991 ( 14.757 25.560 0.000) 29.514 10.991 ( 3.993 6.916 0.000) 7.986 11.041 ( 23.340 40.426 0.000) 46.680 11.125 ( 3.259 5.645 0.000) 6.518 11.459 ( 30.848 53.430 0.000) 61.695 11.959 ( -2.894 -5.013 0.000) 5.789 12.923 ( 16.416 28.434 0.000) 32.832 13.225 ( 24.640 42.678 0.000) 49.280 13.409 ( 4.944 8.563 0.000) 9.888 13.550 ( 19.944 34.543 0.000) 39.887 13.594 ( 6.982 12.093 0.000) 13.964 13.913 ( 9.246 16.014 0.000) 18.491 14.510 ( 17.684 30.630 0.000) 35.369 15.098 ( -3.079 -5.334 0.000) 6.159 15.608 ( 3.457 5.988 0.000) 6.914 16.854 ( 6.823 11.818 0.000) 13.646 16.912 ( 2.377 4.118 0.000) 4.755 17.635 ( 2.924 5.065 0.000) 5.848 18.156 ( -5.566 -9.641 0.000) 11.132 18.619 ( -5.766 -9.988 0.000) 11.533 18.923 ( -2.968 -5.140 0.000) 5.935 18.987 ( 0.751 1.300 0.000) 1.501 19.100 ( -5.089 -8.815 0.000) 10.179 21.835 ( -5.466 -9.467 0.000) 10.932 22.308 ( -2.969 -5.142 0.000) 5.938 22.589 ( 0.722 1.251 0.000) 1.444 22.599 ( -0.089 -0.154 0.000) 0.178 22.621 ( 1.023 1.773 0.000) 2.047 22.637 ( -12.347 -21.386 0.000) 24.695 22.699 ( 1.740 3.014 0.000) 3.481 23.159 ( -9.391 -16.265 0.000) 18.782 23.807 ( -5.915 -10.245 0.000) 11.830 24.049 ( -8.760 -15.173 0.000) 17.520 24.353 ( -10.868 -18.824 0.000) 21.736 24.500 ( -12.733 -22.054 0.000) 25.466 ======================= Grid point 56 (25/66) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 7.739 9.399 0.000) 12.175 4.473 ( 2.865 0.376 0.000) 2.889 5.577 ( 6.874 23.920 0.000) 24.888 6.006 ( 7.124 32.304 0.000) 33.080 6.114 ( 3.700 5.024 0.000) 6.239 6.155 ( 17.133 19.414 0.000) 25.893 6.748 ( 10.399 23.383 0.000) 25.591 6.851 ( 9.575 14.202 0.000) 17.129 6.905 ( 12.081 17.331 0.000) 21.126 7.225 ( 16.093 22.549 0.000) 27.703 7.821 ( 6.508 13.954 0.000) 15.397 8.154 ( 4.783 9.089 0.000) 10.271 8.528 ( 7.677 26.582 0.000) 27.668 8.831 ( 5.778 12.719 0.000) 13.969 9.423 ( 9.294 33.479 0.000) 34.745 9.581 ( 6.532 23.345 0.000) 24.242 10.317 ( 10.037 23.879 0.000) 25.902 10.537 ( 2.980 4.100 0.000) 5.068 10.865 ( 8.116 8.575 0.000) 11.806 11.184 ( -5.158 12.300 0.000) 13.338 11.485 ( 12.087 37.272 0.000) 39.183 11.555 ( 14.778 28.827 0.000) 32.394 11.698 ( -5.503 -9.910 0.000) 11.335 11.882 ( 25.852 18.640 0.000) 31.871 12.516 ( 32.582 42.058 0.000) 53.203 13.496 ( 0.843 -1.063 0.000) 1.357 13.579 ( 25.083 24.204 0.000) 34.857 13.727 ( 3.024 8.170 0.000) 8.711 13.964 ( 12.218 21.863 0.000) 25.046 14.182 ( 3.843 17.377 0.000) 17.797 14.366 ( 31.728 27.311 0.000) 41.863 15.139 ( 21.427 22.006 0.000) 30.714 15.167 ( 9.594 13.558 0.000) 16.609 15.850 ( 11.553 10.862 0.000) 15.858 17.015 ( 2.419 9.275 0.000) 9.585 17.099 ( 8.819 6.118 0.000) 10.733 17.669 ( 0.537 -4.697 0.000) 4.728 17.994 ( -0.985 -10.249 0.000) 10.296 18.406 ( -5.130 -12.231 0.000) 13.264 18.695 ( -7.543 -14.856 0.000) 16.661 19.025 ( 0.267 4.401 0.000) 4.409 19.050 ( 0.536 1.838 0.000) 1.914 21.644 ( -5.441 -8.713 0.000) 10.272 22.201 ( -9.388 -14.954 0.000) 17.657 22.201 ( -5.702 -10.145 0.000) 11.638 22.527 ( -4.527 -7.155 0.000) 8.467 22.597 ( -1.414 -0.292 0.000) 1.444 22.626 ( -1.670 -0.709 0.000) 1.814 22.730 ( -1.266 1.068 0.000) 1.656 22.890 ( -6.492 -8.279 0.000) 10.521 23.583 ( -6.519 -10.438 0.000) 12.306 23.737 ( -8.601 -14.321 0.000) 16.706 23.969 ( -10.511 -17.494 0.000) 20.409 24.061 ( -11.811 -19.635 0.000) 22.913 ======================= Grid point 57 (26/66) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( 4.905 9.881 0.000) 11.031 4.529 ( 5.818 -2.727 0.000) 6.426 5.807 ( 1.338 10.248 0.000) 10.335 6.165 ( 1.968 -3.490 0.000) 4.007 6.399 ( 2.383 27.966 0.000) 28.068 6.561 ( 7.082 19.304 0.000) 20.562 7.121 ( 3.524 23.388 0.000) 23.652 7.178 ( 9.632 15.022 0.000) 17.845 7.353 ( 12.250 24.467 0.000) 27.362 7.607 ( 6.978 12.166 0.000) 14.025 8.082 ( 5.895 15.534 0.000) 16.615 8.329 ( 4.984 7.754 0.000) 9.218 8.919 ( 3.391 29.644 0.000) 29.838 9.040 ( 2.994 12.299 0.000) 12.658 9.864 ( 0.210 35.139 0.000) 35.139 9.922 ( 0.969 28.993 0.000) 29.009 10.376 ( -8.340 -4.557 0.000) 9.504 10.487 ( -6.643 10.792 0.000) 12.672 11.166 ( -10.569 9.918 0.000) 14.494 11.415 ( 24.119 16.539 0.000) 29.245 11.429 ( -8.091 -7.473 0.000) 11.014 12.020 ( 2.198 40.931 0.000) 40.990 12.076 ( 7.470 33.765 0.000) 34.581 12.535 ( 26.350 10.130 0.000) 28.231 13.421 ( -0.757 -2.952 0.000) 3.047 13.437 ( 27.662 25.464 0.000) 37.598 13.725 ( -3.893 -3.655 0.000) 5.340 14.254 ( 25.284 14.699 0.000) 29.246 14.291 ( 1.610 22.574 0.000) 22.631 14.442 ( 2.106 25.586 0.000) 25.672 15.119 ( 27.935 14.162 0.000) 31.320 15.653 ( 22.129 17.062 0.000) 27.943 15.670 ( 18.914 10.713 0.000) 21.737 16.131 ( 10.508 1.793 0.000) 10.660 17.142 ( 1.226 7.822 0.000) 7.918 17.292 ( 6.555 4.721 0.000) 8.078 17.562 ( -1.974 -12.904 0.000) 13.054 17.930 ( 8.041 -13.563 0.000) 15.768 18.209 ( -1.200 -14.007 0.000) 14.058 18.435 ( -2.527 -17.060 0.000) 17.246 19.085 ( 0.057 6.465 0.000) 6.465 19.105 ( 0.989 5.688 0.000) 5.773 21.478 ( -3.741 -7.244 0.000) 8.153 21.817 ( -10.260 -15.506 0.000) 18.593 22.116 ( -0.003 -5.661 0.000) 5.661 22.337 ( -4.449 -10.711 0.000) 11.598 22.518 ( -4.162 -5.810 0.000) 7.147 22.531 ( -4.559 -6.879 0.000) 8.253 22.649 ( -5.471 -5.953 0.000) 8.085 22.708 ( -6.923 -7.866 0.000) 10.479 23.401 ( -4.720 -4.548 0.000) 6.555 23.489 ( -5.927 -7.911 0.000) 9.886 23.671 ( -6.844 -9.338 0.000) 11.577 23.724 ( -7.699 -11.077 0.000) 13.490 ======================= Grid point 58 (27/66) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( -0.785 7.660 0.000) 7.700 4.626 ( 7.866 -3.670 0.000) 8.680 5.884 ( 0.515 3.035 0.000) 3.078 6.140 ( 2.909 -8.613 0.000) 9.091 6.648 ( -4.117 23.534 0.000) 23.892 6.806 ( -1.337 18.750 0.000) 18.797 7.359 ( -2.854 21.845 0.000) 22.030 7.472 ( 6.559 13.642 0.000) 15.137 7.728 ( 1.027 23.141 0.000) 23.164 7.735 ( -2.841 7.135 0.000) 7.680 8.320 ( 2.567 14.351 0.000) 14.579 8.478 ( 5.432 2.858 0.000) 6.138 9.174 ( -1.398 10.794 0.000) 10.884 9.214 ( -2.699 25.293 0.000) 25.437 10.135 ( -7.462 30.872 0.000) 31.761 10.172 ( -7.684 30.310 0.000) 31.269 10.216 ( -9.306 6.102 0.000) 11.128 10.444 ( -6.591 5.032 0.000) 8.292 11.028 ( -12.815 8.072 0.000) 15.146 11.306 ( -5.810 4.951 0.000) 7.634 11.885 ( 12.725 10.073 0.000) 16.229 12.369 ( -9.770 39.918 0.000) 41.096 12.473 ( -1.341 31.356 0.000) 31.385 12.988 ( 19.442 -1.299 0.000) 19.486 13.310 ( -2.271 -4.997 0.000) 5.488 13.588 ( -4.683 -5.624 0.000) 7.319 14.129 ( 20.284 18.632 0.000) 27.543 14.509 ( -6.697 28.002 0.000) 28.792 14.565 ( -5.366 19.541 0.000) 20.264 14.889 ( 20.077 9.981 0.000) 22.421 15.603 ( 17.381 1.454 0.000) 17.441 16.007 ( 11.582 2.393 0.000) 11.827 16.141 ( 17.651 5.174 0.000) 18.394 16.216 ( 3.482 -8.459 0.000) 9.147 17.199 ( -1.583 4.611 0.000) 4.875 17.378 ( -0.079 -16.530 0.000) 16.531 17.428 ( 4.453 2.722 0.000) 5.219 17.988 ( 14.781 -17.406 0.000) 22.835 18.098 ( 5.368 -14.957 0.000) 15.891 18.268 ( 4.196 -18.635 0.000) 19.102 19.150 ( -0.575 6.587 0.000) 6.612 19.185 ( 0.040 7.017 0.000) 7.018 21.379 ( 0.036 -5.038 0.000) 5.038 21.538 ( -5.773 -10.985 0.000) 12.410 22.103 ( 4.797 -4.384 0.000) 6.498 22.203 ( 1.058 -8.349 0.000) 8.416 22.360 ( -2.780 -10.290 0.000) 10.659 22.366 ( -2.776 -9.881 0.000) 10.263 22.444 ( -5.706 -11.744 0.000) 13.057 22.471 ( -7.163 -12.124 0.000) 14.082 23.322 ( -3.230 1.687 0.000) 3.644 23.370 ( -3.333 -0.422 0.000) 3.359 23.537 ( -3.644 -0.149 0.000) 3.647 23.566 ( -3.874 -1.353 0.000) 4.103 ======================= Grid point 59 (28/66) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( -3.423 5.929 0.000) 6.846 4.685 ( 3.520 -6.097 0.000) 7.041 5.903 ( -0.300 0.519 0.000) 0.600 6.118 ( 5.409 -9.369 0.000) 10.819 6.732 ( -11.080 19.192 0.000) 22.161 6.891 ( -9.141 15.833 0.000) 18.282 7.449 ( -10.772 18.658 0.000) 21.544 7.659 ( -3.817 6.611 0.000) 7.634 7.686 ( -4.652 8.059 0.000) 9.305 7.851 ( -9.853 17.066 0.000) 19.706 8.422 ( -5.817 10.076 0.000) 11.635 8.550 ( 1.195 -2.070 0.000) 2.390 9.214 ( -5.360 9.283 0.000) 10.719 9.320 ( -10.760 18.636 0.000) 21.519 10.171 ( -7.686 13.313 0.000) 15.372 10.231 ( -14.612 25.309 0.000) 29.224 10.256 ( -15.793 27.354 0.000) 31.585 10.402 ( -2.482 4.299 0.000) 4.964 10.949 ( -8.021 13.893 0.000) 16.043 11.284 ( -5.146 8.913 0.000) 10.292 12.052 ( -1.779 3.081 0.000) 3.558 12.485 ( -20.323 35.200 0.000) 40.645 12.627 ( -13.685 23.703 0.000) 27.370 13.167 ( 7.254 -12.564 0.000) 14.507 13.262 ( 0.567 -0.982 0.000) 1.134 13.500 ( 0.505 -0.874 0.000) 1.009 14.483 ( 0.496 -0.860 0.000) 0.993 14.546 ( -13.150 22.777 0.000) 26.301 14.598 ( -15.571 26.969 0.000) 31.141 15.147 ( 2.174 -3.766 0.000) 4.349 15.762 ( 4.908 -8.501 0.000) 9.816 16.135 ( 2.355 -4.079 0.000) 4.710 16.162 ( 4.698 -8.137 0.000) 9.396 16.329 ( 3.492 -6.048 0.000) 6.984 17.205 ( -1.867 3.233 0.000) 3.734 17.283 ( 8.183 -14.174 0.000) 16.367 17.486 ( 0.349 -0.604 0.000) 0.698 18.039 ( 12.368 -21.423 0.000) 24.737 18.076 ( 8.745 -15.147 0.000) 17.490 18.208 ( 10.205 -17.676 0.000) 20.411 19.182 ( -2.962 5.131 0.000) 5.924 19.225 ( -3.165 5.483 0.000) 6.331 21.378 ( 2.161 -3.743 0.000) 4.322 21.405 ( 3.029 -5.247 0.000) 6.058 22.179 ( 3.871 -6.704 0.000) 7.741 22.184 ( 3.506 -6.072 0.000) 7.011 22.273 ( 4.464 -7.732 0.000) 8.928 22.282 ( 4.210 -7.291 0.000) 8.419 22.291 ( 4.288 -7.427 0.000) 8.576 22.299 ( 4.291 -7.432 0.000) 8.582 23.304 ( -2.340 4.053 0.000) 4.680 23.341 ( -1.640 2.840 0.000) 3.280 23.509 ( -1.980 3.430 0.000) 3.960 23.529 ( -1.580 2.736 0.000) 3.159 ======================= Grid point 74 (29/66) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.899 ( 7.379 12.781 0.000) 14.759 4.457 ( -0.700 -1.212 0.000) 1.400 5.833 ( 2.540 4.399 0.000) 5.079 6.127 ( -1.633 -2.829 0.000) 3.267 6.526 ( 11.322 19.611 0.000) 22.645 6.585 ( 11.637 20.156 0.000) 23.275 7.170 ( 9.447 16.362 0.000) 18.894 7.298 ( 12.561 21.757 0.000) 25.122 7.327 ( 17.033 29.502 0.000) 34.066 7.604 ( 8.449 14.634 0.000) 16.898 8.108 ( 8.007 13.868 0.000) 16.014 8.326 ( 3.990 6.911 0.000) 7.980 9.052 ( 13.617 23.585 0.000) 27.233 9.071 ( 6.026 10.437 0.000) 12.052 10.059 ( 15.526 26.892 0.000) 31.052 10.062 ( 13.259 22.965 0.000) 26.518 10.422 ( -2.425 -4.200 0.000) 4.850 10.656 ( 2.125 3.680 0.000) 4.249 11.232 ( 13.888 24.055 0.000) 27.776 11.367 ( 3.296 5.708 0.000) 6.591 11.453 ( -5.680 -9.838 0.000) 11.360 12.199 ( 18.423 31.909 0.000) 36.845 12.230 ( 19.912 34.488 0.000) 39.824 12.316 ( 11.851 20.527 0.000) 23.703 13.324 ( 18.744 32.465 0.000) 37.488 13.411 ( -0.859 -1.487 0.000) 1.718 13.748 ( -2.573 -4.456 0.000) 5.146 14.067 ( 13.272 22.988 0.000) 26.544 14.388 ( 11.885 20.586 0.000) 23.771 14.587 ( 12.280 21.270 0.000) 24.560 14.916 ( 14.769 25.581 0.000) 29.538 15.540 ( 9.828 17.023 0.000) 19.657 15.552 ( 12.342 21.377 0.000) 24.684 16.039 ( 3.710 6.427 0.000) 7.421 17.202 ( 4.571 7.918 0.000) 9.142 17.230 ( 4.136 7.164 0.000) 8.273 17.507 ( -6.309 -10.928 0.000) 12.618 17.777 ( -6.108 -10.579 0.000) 12.216 18.147 ( -7.298 -12.641 0.000) 14.596 18.366 ( -9.427 -16.327 0.000) 18.853 19.120 ( 2.550 4.417 0.000) 5.100 19.128 ( 3.096 5.362 0.000) 6.192 21.474 ( -4.437 -7.685 0.000) 8.874 21.829 ( -9.731 -16.854 0.000) 19.462 22.087 ( -2.882 -4.992 0.000) 5.764 22.322 ( -6.350 -10.998 0.000) 12.700 22.527 ( -4.089 -7.082 0.000) 8.178 22.538 ( -4.761 -8.246 0.000) 9.522 22.668 ( -4.538 -7.861 0.000) 9.077 22.730 ( -5.594 -9.689 0.000) 11.188 23.420 ( -2.828 -4.898 0.000) 5.656 23.500 ( -4.705 -8.150 0.000) 9.411 23.682 ( -5.497 -9.521 0.000) 10.993 23.734 ( -6.543 -11.333 0.000) 13.087 ======================= Grid point 75 (30/66) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.122 ( 1.330 12.589 0.000) 12.659 4.462 ( 5.149 -3.501 0.000) 6.226 5.866 ( 0.724 -1.068 0.000) 1.290 6.035 ( -1.446 -8.259 0.000) 8.385 6.845 ( 3.813 16.442 0.000) 16.878 6.912 ( 6.566 13.310 0.000) 14.841 7.490 ( 8.044 15.052 0.000) 17.066 7.685 ( 1.718 29.151 0.000) 29.201 7.819 ( 2.454 8.401 0.000) 8.752 7.898 ( 10.883 26.806 0.000) 28.931 8.367 ( 5.952 11.611 0.000) 13.047 8.422 ( 3.149 1.426 0.000) 3.457 9.240 ( 2.708 6.800 0.000) 7.319 9.455 ( 4.930 22.199 0.000) 22.740 10.377 ( -2.074 4.674 0.000) 5.113 10.442 ( 1.840 19.558 0.000) 19.644 10.474 ( 4.742 21.849 0.000) 22.358 10.650 ( -6.572 4.861 0.000) 8.174 11.339 ( -6.904 10.645 0.000) 12.687 11.460 ( -1.006 9.140 0.000) 9.195 11.685 ( 15.339 10.598 0.000) 18.644 12.680 ( 14.245 4.468 0.000) 14.929 12.793 ( 8.635 35.063 0.000) 36.110 12.835 ( 5.346 37.119 0.000) 37.502 13.279 ( -1.123 -6.326 0.000) 6.425 13.618 ( -4.802 -5.786 0.000) 7.519 14.013 ( 17.374 26.511 0.000) 31.697 14.495 ( 15.711 9.034 0.000) 18.123 14.795 ( 6.632 25.608 0.000) 26.453 15.002 ( 4.596 28.478 0.000) 28.846 15.362 ( 14.198 9.715 0.000) 17.203 15.829 ( 10.444 4.886 0.000) 11.530 15.952 ( 12.055 12.111 0.000) 17.088 16.083 ( 1.224 -6.412 0.000) 6.528 17.247 ( -5.585 -17.539 0.000) 18.407 17.288 ( -3.051 5.417 0.000) 6.217 17.386 ( 5.338 4.148 0.000) 6.760 17.610 ( 5.005 -16.658 0.000) 17.394 17.916 ( -2.591 -14.256 0.000) 14.490 18.061 ( -4.059 -18.817 0.000) 19.250 19.211 ( 1.446 5.966 0.000) 6.138 19.237 ( 2.062 6.329 0.000) 6.657 21.343 ( -2.255 -5.734 0.000) 6.161 21.531 ( -6.841 -12.237 0.000) 14.019 22.013 ( 0.267 -4.205 0.000) 4.214 22.131 ( -2.968 -8.803 0.000) 9.290 22.323 ( -5.962 -12.067 0.000) 13.459 22.332 ( -5.645 -11.441 0.000) 12.758 22.433 ( -7.659 -13.714 0.000) 15.708 22.475 ( -8.271 -14.085 0.000) 16.334 23.375 ( -1.000 1.083 0.000) 1.475 23.406 ( -1.514 -0.891 0.000) 1.757 23.580 ( -1.531 -0.520 0.000) 1.617 23.602 ( -2.013 -1.720 0.000) 2.648 ======================= Grid point 76 (31/66) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.192 ( -4.633 9.624 0.000) 10.681 4.548 ( 6.300 -3.800 0.000) 7.357 5.862 ( 1.396 -2.824 0.000) 3.150 5.942 ( 2.326 -9.688 0.000) 9.963 6.999 ( -2.578 11.931 0.000) 12.206 7.088 ( 0.155 8.864 0.000) 8.865 7.739 ( 3.883 12.034 0.000) 12.645 7.861 ( -5.217 4.972 0.000) 7.207 7.934 ( -8.766 30.572 0.000) 31.804 8.138 ( -4.845 11.513 0.000) 12.491 8.530 ( 1.767 5.701 0.000) 5.969 8.537 ( 3.176 7.318 0.000) 7.978 9.302 ( 0.258 1.233 0.000) 1.260 9.661 ( -5.022 18.248 0.000) 18.926 10.430 ( -3.173 12.901 0.000) 13.286 10.558 ( -8.634 5.604 0.000) 10.293 10.574 ( -2.933 12.210 0.000) 12.558 10.657 ( -5.348 15.154 0.000) 16.070 11.353 ( -12.192 22.705 0.000) 25.772 11.542 ( -5.838 16.504 0.000) 17.506 11.951 ( 8.416 -0.833 0.000) 8.457 12.890 ( 10.553 -7.200 0.000) 12.775 13.068 ( -8.360 17.635 0.000) 19.517 13.171 ( -7.554 33.267 0.000) 34.114 13.306 ( -2.205 13.843 0.000) 14.017 13.502 ( -2.401 -2.759 0.000) 3.658 14.447 ( 7.448 12.216 0.000) 14.307 14.753 ( 6.533 0.747 0.000) 6.576 15.092 ( -5.710 27.360 0.000) 27.950 15.286 ( -5.980 27.431 0.000) 28.076 15.589 ( 6.983 -1.922 0.000) 7.242 15.988 ( 1.800 -12.931 0.000) 13.056 16.011 ( 7.729 -2.055 0.000) 7.998 16.187 ( 6.460 0.865 0.000) 6.517 17.011 ( 2.458 -19.429 0.000) 19.583 17.231 ( -0.387 -5.208 0.000) 5.222 17.482 ( 1.458 2.535 0.000) 2.924 17.608 ( 10.693 -15.846 0.000) 19.116 17.787 ( 5.004 -14.638 0.000) 15.469 17.866 ( 4.820 -19.293 0.000) 19.886 19.277 ( -1.090 5.546 0.000) 5.652 19.313 ( -0.464 5.073 0.000) 5.094 21.290 ( 1.925 -3.525 0.000) 4.016 21.348 ( -2.466 -7.413 0.000) 7.813 22.024 ( 5.281 -3.335 0.000) 6.246 22.058 ( 3.032 -5.737 0.000) 6.489 22.144 ( -0.311 -9.631 0.000) 9.636 22.159 ( -0.345 -9.325 0.000) 9.332 22.193 ( -3.192 -11.291 0.000) 11.733 22.214 ( -4.538 -11.636 0.000) 12.490 23.378 ( -1.497 3.081 0.000) 3.426 23.395 ( -1.134 2.090 0.000) 2.378 23.573 ( -1.327 2.595 0.000) 2.914 23.582 ( -1.259 1.963 0.000) 2.332 ======================= Grid point 92 (32/66) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.352 ( 4.375 7.577 0.000) 8.749 4.406 ( -0.202 -0.351 0.000) 0.405 5.832 ( -0.908 -1.572 0.000) 1.815 5.868 ( -4.104 -7.108 0.000) 8.208 7.093 ( 4.479 7.758 0.000) 8.958 7.114 ( 4.150 7.188 0.000) 8.300 7.767 ( 6.587 11.409 0.000) 13.174 7.939 ( 1.799 3.116 0.000) 3.598 8.110 ( 5.127 8.881 0.000) 10.255 8.415 ( 11.987 20.763 0.000) 23.974 8.458 ( 3.851 6.671 0.000) 7.702 8.532 ( 2.601 4.505 0.000) 5.202 9.297 ( -0.811 -1.405 0.000) 1.622 9.809 ( 6.981 12.092 0.000) 13.962 10.522 ( 4.577 7.928 0.000) 9.155 10.648 ( 3.178 5.504 0.000) 6.355 10.692 ( -0.176 -0.305 0.000) 0.352 10.783 ( 4.056 7.025 0.000) 8.112 11.652 ( 8.330 14.428 0.000) 16.660 11.663 ( 5.855 10.141 0.000) 11.710 11.855 ( 3.421 5.926 0.000) 6.843 12.739 ( 0.988 1.711 0.000) 1.976 13.164 ( -2.059 -3.566 0.000) 4.117 13.425 ( 14.350 24.855 0.000) 28.700 13.486 ( 13.626 23.601 0.000) 27.253 13.513 ( -2.357 -4.082 0.000) 4.713 14.477 ( 9.983 17.291 0.000) 19.966 14.633 ( 2.889 5.005 0.000) 5.779 15.275 ( 11.203 19.405 0.000) 22.407 15.515 ( 2.973 5.149 0.000) 5.945 15.563 ( 14.112 24.442 0.000) 28.224 15.881 ( 0.733 1.270 0.000) 1.466 15.901 ( -5.528 -9.575 0.000) 11.056 16.163 ( 5.476 9.484 0.000) 10.952 16.865 ( -11.144 -19.301 0.000) 22.287 17.139 ( -10.772 -18.657 0.000) 21.544 17.446 ( 1.978 3.426 0.000) 3.957 17.492 ( 1.492 2.584 0.000) 2.984 17.659 ( -5.728 -9.922 0.000) 11.457 17.715 ( -7.855 -13.606 0.000) 15.711 19.318 ( 2.375 4.113 0.000) 4.749 19.342 ( 2.144 3.714 0.000) 4.289 21.255 ( -1.570 -2.719 0.000) 3.140 21.331 ( -4.098 -7.098 0.000) 8.196 21.957 ( -0.521 -0.902 0.000) 1.042 21.999 ( -2.216 -3.838 0.000) 4.432 22.097 ( -5.091 -8.818 0.000) 10.182 22.114 ( -4.961 -8.592 0.000) 9.921 22.164 ( -6.437 -11.150 0.000) 12.875 22.196 ( -6.853 -11.869 0.000) 13.705 23.410 ( 0.966 1.673 0.000) 1.932 23.415 ( 0.607 1.052 0.000) 1.215 23.599 ( 0.821 1.422 0.000) 1.642 23.604 ( 0.547 0.948 0.000) 1.095 ======================= Grid point 93 (33/66) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( -3.944 6.831 0.000) 7.888 4.473 ( 2.159 -3.739 0.000) 4.317 5.787 ( 2.592 -4.489 0.000) 5.184 5.815 ( 0.779 -1.349 0.000) 1.558 7.166 ( -2.721 4.713 0.000) 5.442 7.196 ( -1.175 2.036 0.000) 2.351 7.923 ( -1.956 3.387 0.000) 3.911 7.938 ( -2.330 4.036 0.000) 4.660 8.159 ( 0.837 -1.449 0.000) 1.673 8.515 ( -12.264 21.242 0.000) 24.528 8.571 ( 0.136 -0.235 0.000) 0.271 8.719 ( -2.066 3.578 0.000) 4.131 9.242 ( 2.808 -4.863 0.000) 5.616 9.933 ( -4.304 7.455 0.000) 8.608 10.644 ( -2.239 3.877 0.000) 4.477 10.653 ( -3.051 5.285 0.000) 6.102 10.734 ( -2.823 4.889 0.000) 5.645 10.811 ( -0.919 1.591 0.000) 1.837 11.765 ( -7.841 13.582 0.000) 15.683 11.828 ( -4.465 7.733 0.000) 8.930 11.917 ( 0.815 -1.412 0.000) 1.631 12.756 ( 2.510 -4.348 0.000) 5.020 13.124 ( 0.392 -0.679 0.000) 0.784 13.468 ( 0.419 -0.726 0.000) 0.838 13.707 ( -9.214 15.959 0.000) 18.427 13.736 ( -8.212 14.223 0.000) 16.424 14.633 ( -3.677 6.369 0.000) 7.354 14.721 ( 1.642 -2.844 0.000) 3.284 15.495 ( -5.192 8.993 0.000) 10.384 15.562 ( 0.115 -0.199 0.000) 0.230 15.742 ( 4.810 -8.332 0.000) 9.621 15.826 ( -9.092 15.748 0.000) 18.184 15.995 ( -4.551 7.882 0.000) 9.101 16.309 ( -7.969 13.803 0.000) 15.939 16.583 ( 12.448 -21.560 0.000) 24.896 16.873 ( 13.509 -23.398 0.000) 27.017 17.487 ( 0.128 -0.222 0.000) 0.256 17.524 ( -0.674 1.168 0.000) 1.348 17.553 ( 3.976 -6.887 0.000) 7.953 17.565 ( 4.768 -8.258 0.000) 9.535 19.363 ( -1.508 2.612 0.000) 3.016 19.380 ( -0.805 1.394 0.000) 1.610 21.237 ( 1.069 -1.851 0.000) 2.137 21.247 ( 1.160 -2.009 0.000) 2.320 21.970 ( 1.026 -1.778 0.000) 2.053 21.975 ( 1.351 -2.340 0.000) 2.702 22.002 ( 2.181 -3.778 0.000) 4.363 22.021 ( 2.124 -3.680 0.000) 4.249 22.032 ( 2.281 -3.952 0.000) 4.563 22.044 ( 2.440 -4.226 0.000) 4.880 23.426 ( -0.800 1.386 0.000) 1.600 23.430 ( -0.561 0.971 0.000) 1.121 23.615 ( -0.710 1.229 0.000) 1.420 23.617 ( -0.587 1.017 0.000) 1.175 ======================= Grid point 307 (34/66) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -0.000 -0.000 -59.523) 59.523 1.479 ( 0.000 -0.000 -59.523) 59.523 1.479 ( 0.000 -0.000 59.523) 59.523 1.479 ( 0.000 0.000 59.523) 59.523 2.476 ( 0.000 -0.000 -101.781) 101.781 2.476 ( 0.000 -0.000 101.781) 101.781 4.112 ( 0.000 0.000 -41.368) 41.368 4.112 ( 0.000 0.000 -41.368) 41.368 4.112 ( -0.000 0.000 41.368) 41.368 4.112 ( 0.000 0.000 41.368) 41.368 6.209 ( -0.000 -0.000 -18.678) 18.678 6.209 ( -0.000 0.000 -18.678) 18.678 6.209 ( 0.000 -0.000 18.678) 18.678 6.209 ( -0.000 0.000 18.678) 18.678 7.044 ( 0.000 -0.000 -85.003) 85.003 7.044 ( 0.000 0.000 85.003) 85.003 8.240 ( 0.000 0.000 -7.698) 7.698 8.240 ( -0.000 0.000 -7.698) 7.698 8.240 ( 0.000 0.000 7.698) 7.698 8.240 ( 0.000 -0.000 7.698) 7.698 8.642 ( -0.000 0.000 -3.725) 3.725 8.642 ( 0.000 0.000 -3.725) 3.725 8.642 ( 0.000 0.000 3.725) 3.725 8.642 ( 0.000 0.000 3.725) 3.725 10.189 ( 0.000 -0.000 -28.294) 28.294 10.189 ( 0.000 0.000 28.294) 28.294 11.550 ( 0.000 0.000 -17.817) 17.817 11.550 ( 0.000 -0.000 17.817) 17.817 12.900 ( 0.000 0.000 -0.602) 0.602 12.900 ( -0.000 0.000 -0.602) 0.602 12.900 ( -0.000 0.000 0.602) 0.602 12.900 ( 0.000 0.000 0.602) 0.602 14.919 ( 0.000 -0.000 -11.793) 11.793 14.919 ( -0.000 0.000 11.793) 11.793 17.739 ( 0.000 0.000 -1.976) 1.976 17.739 ( 0.000 0.000 1.976) 1.976 19.098 ( 0.000 -0.000 -0.023) 0.023 19.098 ( 0.000 0.000 -0.023) 0.023 19.098 ( 0.000 -0.000 0.023) 0.023 19.098 ( 0.000 0.000 0.023) 0.023 22.481 ( -0.000 0.000 -0.310) 0.310 22.481 ( -0.000 0.000 -0.310) 0.310 22.481 ( -0.000 0.000 0.310) 0.310 22.481 ( 0.000 -0.000 0.310) 0.310 22.517 ( 0.000 0.000 -0.558) 0.558 22.517 ( 0.000 -0.000 -0.558) 0.558 22.517 ( -0.000 0.000 0.558) 0.558 22.517 ( 0.000 0.000 0.558) 0.558 22.586 ( 0.000 -0.000 -2.392) 2.392 22.586 ( 0.000 0.000 2.392) 2.392 24.591 ( 0.000 0.000 -2.660) 2.660 24.591 ( 0.000 0.000 2.660) 2.660 24.980 ( -0.000 0.000 -0.708) 0.708 24.980 ( 0.000 0.000 0.708) 0.708 ======================= Grid point 309 (35/66) ======================= q-point: ( 0.06 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 28.974 16.728 -40.627) 52.629 1.728 ( 28.974 16.728 40.627) 52.629 1.775 ( 22.653 13.079 -49.261) 55.775 1.775 ( 22.653 13.079 49.261) 55.775 3.382 ( 59.949 34.612 -74.244) 101.509 3.382 ( 59.949 34.612 74.244) 101.509 4.154 ( 2.983 1.722 -40.715) 40.860 4.154 ( 2.983 1.722 40.715) 40.860 4.249 ( 11.298 6.523 -40.128) 42.196 4.249 ( 11.298 6.523 40.128) 42.196 6.295 ( 7.118 4.110 -18.882) 20.594 6.295 ( 7.118 4.110 18.882) 20.594 6.350 ( 3.846 2.220 -20.617) 21.089 6.350 ( 3.846 2.220 20.617) 21.089 7.264 ( 27.529 15.894 -48.275) 57.801 7.264 ( 27.529 15.894 48.275) 57.801 8.253 ( 0.892 0.515 -7.608) 7.677 8.253 ( 0.892 0.515 7.608) 7.677 8.299 ( 4.573 2.640 -8.345) 9.875 8.299 ( 4.573 2.640 8.345) 9.875 8.711 ( 6.073 3.507 -3.383) 7.786 8.711 ( 6.073 3.507 3.383) 7.786 8.798 ( 10.391 5.999 -11.381) 16.537 8.798 ( 10.391 5.999 11.381) 16.537 9.769 ( -9.047 -5.223 -21.628) 24.019 9.769 ( -9.047 -5.223 21.628) 24.019 11.506 ( -2.252 -1.300 -16.927) 17.126 11.506 ( -2.252 -1.300 16.927) 17.126 12.923 ( 1.939 1.119 -0.560) 2.308 12.923 ( 1.939 1.119 0.560) 2.308 13.472 ( 25.242 14.574 -27.696) 40.207 13.472 ( 25.242 14.574 27.696) 40.207 15.016 ( 10.230 5.906 -9.401) 15.097 15.016 ( 10.230 5.906 9.401) 15.097 17.215 ( -31.266 -18.051 -19.535) 41.049 17.215 ( -31.266 -18.051 19.535) 41.049 19.063 ( -7.157 -4.132 -7.706) 11.300 19.063 ( -7.157 -4.132 7.706) 11.300 19.087 ( -0.956 -0.552 -0.044) 1.104 19.087 ( -0.956 -0.552 0.044) 1.104 20.625 ( -60.117 -34.708 -44.552) 82.483 20.625 ( -60.117 -34.708 44.552) 82.483 22.483 ( 0.193 0.111 -0.267) 0.348 22.483 ( 0.193 0.111 0.267) 0.348 22.508 ( -0.241 -0.139 -1.194) 1.226 22.508 ( -0.241 -0.139 1.194) 1.226 22.517 ( 0.013 0.008 -0.492) 0.493 22.517 ( 0.013 0.008 0.492) 0.493 23.534 ( 19.024 10.983 -1.362) 22.009 23.534 ( 19.024 10.983 1.362) 22.009 24.864 ( -7.784 -4.494 -0.118) 8.989 24.864 ( -7.784 -4.494 0.118) 8.989 25.194 ( 23.461 13.545 -30.367) 40.694 25.194 ( 23.461 13.545 30.367) 40.694 ======================= Grid point 311 (36/66) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 30.150 17.407 -35.129) 49.457 2.420 ( 30.150 17.407 35.129) 49.457 2.677 ( 46.193 26.670 -8.740) 54.050 2.677 ( 46.193 26.670 8.740) 54.050 4.083 ( -0.663 -0.383 -35.956) 35.964 4.083 ( -0.663 -0.383 35.956) 35.964 4.613 ( 18.795 10.851 -37.010) 42.904 4.613 ( 18.795 10.851 37.010) 42.904 5.035 ( 68.518 39.559 -55.711) 96.764 5.035 ( 68.518 39.559 55.711) 96.764 6.396 ( 3.117 1.800 -44.921) 45.065 6.396 ( 3.117 1.800 44.921) 45.065 6.530 ( 12.442 7.183 -19.616) 24.314 6.530 ( 12.442 7.183 19.616) 24.314 8.124 ( 27.116 15.656 -26.722) 41.164 8.124 ( 27.116 15.656 26.722) 41.164 8.279 ( 1.513 0.874 -7.687) 7.883 8.279 ( 1.513 0.874 7.687) 7.883 8.587 ( 30.646 17.693 -22.664) 42.023 8.587 ( 30.646 17.693 22.664) 42.023 8.930 ( 12.291 7.096 -2.636) 14.435 8.930 ( 12.291 7.096 2.636) 14.435 9.163 ( 25.615 14.789 -16.491) 33.865 9.163 ( 25.615 14.789 16.491) 33.865 10.018 ( 21.912 12.651 -19.797) 32.127 10.018 ( 21.912 12.651 19.797) 32.127 11.543 ( 8.306 4.795 -20.914) 23.008 11.543 ( 8.306 4.795 20.914) 23.008 12.988 ( 3.479 2.009 -0.447) 4.042 12.988 ( 3.479 2.009 0.447) 4.042 13.712 ( -1.845 -1.065 -24.293) 24.386 13.712 ( -1.845 -1.065 24.293) 24.386 15.403 ( 18.768 10.836 -4.369) 22.108 15.403 ( 18.768 10.836 4.369) 22.108 16.636 ( -16.424 -9.482 -9.675) 21.290 16.636 ( -16.424 -9.482 9.675) 21.290 18.666 ( -23.930 -13.816 -36.190) 45.533 18.666 ( -23.930 -13.816 36.190) 45.533 19.053 ( -1.887 -1.089 -0.061) 2.179 19.053 ( -1.887 -1.089 0.061) 2.179 19.780 ( -17.976 -10.378 -4.790) 21.302 19.780 ( -17.976 -10.378 4.790) 21.302 22.478 ( -2.353 -1.358 -3.149) 4.159 22.478 ( -2.353 -1.358 3.149) 4.159 22.490 ( 0.339 0.196 -0.192) 0.436 22.490 ( 0.339 0.196 0.192) 0.436 22.519 ( 0.098 0.056 -0.298) 0.318 22.519 ( 0.098 0.056 0.298) 0.318 23.838 ( 7.004 4.044 -3.232) 8.709 23.838 ( 7.004 4.044 3.232) 8.709 24.614 ( -11.764 -6.792 -4.876) 14.432 24.614 ( -11.764 -6.792 4.876) 14.432 25.447 ( 0.714 0.412 -22.903) 22.918 25.447 ( 0.714 0.412 22.903) 22.918 ======================= Grid point 313 (37/66) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 29.805 17.208 -25.515) 42.842 3.134 ( 29.805 17.208 25.515) 42.842 3.672 ( 28.056 16.198 -16.817) 36.502 3.672 ( 28.056 16.198 16.817) 36.502 4.166 ( 18.313 10.573 -13.645) 25.167 4.166 ( 18.313 10.573 13.645) 25.167 5.094 ( 21.219 12.251 -33.239) 41.293 5.094 ( 21.219 12.251 33.239) 41.293 6.215 ( 14.324 8.270 -33.146) 37.044 6.215 ( 14.324 8.270 33.146) 37.044 6.860 ( 15.121 8.730 -21.120) 27.403 6.860 ( 15.121 8.730 21.120) 27.403 6.909 ( 55.246 31.896 -51.875) 82.222 6.909 ( 55.246 31.896 51.875) 82.222 8.334 ( 3.368 1.944 -8.621) 9.458 8.334 ( 3.368 1.944 8.621) 9.458 8.378 ( 5.048 2.914 -12.205) 13.525 8.378 ( 5.048 2.914 12.205) 13.525 9.274 ( 16.531 9.544 -2.068) 19.200 9.274 ( 16.531 9.544 2.068) 19.200 9.614 ( 44.181 25.508 -23.877) 56.327 9.614 ( 44.181 25.508 23.877) 56.327 10.068 ( 43.368 25.039 -13.802) 51.945 10.068 ( 43.368 25.039 13.802) 51.945 10.585 ( 30.636 17.688 -14.501) 38.232 10.585 ( 30.636 17.688 14.501) 38.232 11.985 ( 27.704 15.995 -23.499) 39.694 11.985 ( 27.704 15.995 23.499) 39.694 13.083 ( 4.475 2.584 -0.290) 5.175 13.083 ( 4.475 2.584 0.290) 5.175 13.581 ( -5.495 -3.173 -16.699) 17.864 13.581 ( -5.495 -3.173 16.699) 17.864 15.664 ( -0.062 -0.036 -13.960) 13.960 15.664 ( -0.062 -0.036 13.960) 13.960 16.483 ( 4.012 2.317 -18.774) 19.337 16.483 ( 4.012 2.317 18.774) 19.337 18.157 ( -16.354 -9.442 -42.465) 46.474 18.157 ( -16.354 -9.442 42.465) 46.474 18.999 ( -2.728 -1.575 -0.051) 3.150 18.999 ( -2.728 -1.575 0.051) 3.150 19.496 ( -9.313 -5.377 -11.742) 15.922 19.496 ( -9.313 -5.377 11.742) 15.922 22.398 ( -4.488 -2.591 -7.162) 8.841 22.398 ( -4.488 -2.591 7.162) 8.841 22.499 ( 0.388 0.224 -0.304) 0.542 22.499 ( 0.388 0.224 0.304) 0.542 22.523 ( 0.297 0.172 -0.043) 0.346 22.523 ( 0.297 0.172 0.043) 0.346 23.807 ( -9.943 -5.740 -8.437) 14.248 23.807 ( -9.943 -5.740 8.437) 14.248 24.391 ( -6.345 -3.663 -13.318) 15.200 24.391 ( -6.345 -3.663 13.318) 15.200 25.327 ( -9.718 -5.610 -13.819) 17.801 25.327 ( -9.718 -5.610 13.819) 17.801 ======================= Grid point 315 (38/66) ======================= q-point: ( 0.24 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( 26.253 15.157 -19.223) 35.896 3.798 ( 26.253 15.157 19.223) 35.896 3.903 ( 4.030 2.327 -17.273) 17.889 3.903 ( 4.030 2.327 17.273) 17.889 5.035 ( 42.715 24.661 -16.743) 52.087 5.035 ( 42.715 24.661 16.743) 52.087 5.581 ( 19.671 11.357 -29.998) 37.627 5.581 ( 19.671 11.357 29.998) 37.627 6.385 ( 6.524 3.767 -21.283) 22.577 6.385 ( 6.524 3.767 21.283) 22.577 7.223 ( 15.400 8.891 -23.208) 29.237 7.223 ( 15.400 8.891 23.208) 29.237 7.981 ( 17.038 9.837 -22.104) 29.592 7.981 ( 17.038 9.837 22.104) 29.592 8.442 ( 5.720 3.302 -10.052) 12.027 8.442 ( 5.720 3.302 10.052) 12.027 8.800 ( 43.410 25.063 -31.470) 59.186 8.800 ( 43.410 25.063 31.470) 59.186 9.687 ( 18.110 10.456 -1.656) 20.977 9.687 ( 18.110 10.456 1.656) 20.977 10.364 ( 17.473 10.088 -15.672) 25.548 10.364 ( 17.473 10.088 15.672) 25.548 10.977 ( 41.372 23.886 -24.014) 53.468 10.977 ( 41.372 23.886 24.014) 53.468 11.645 ( 46.504 26.849 -7.981) 54.288 11.645 ( 46.504 26.849 7.981) 54.288 12.630 ( 25.090 14.486 -20.029) 35.221 12.630 ( 25.090 14.486 20.029) 35.221 13.195 ( 4.981 2.876 -0.125) 5.753 13.195 ( 4.981 2.876 0.125) 5.753 13.673 ( 17.536 10.124 -16.367) 26.036 13.673 ( 17.536 10.124 16.367) 26.036 15.494 ( -9.917 -5.725 -13.060) 17.369 15.494 ( -9.917 -5.725 13.060) 17.369 16.687 ( 9.887 5.708 -14.140) 18.173 16.687 ( 9.887 5.708 14.140) 18.173 17.939 ( -2.673 -1.543 -31.514) 31.665 17.939 ( -2.673 -1.543 31.514) 31.665 18.926 ( -3.353 -1.936 -0.028) 3.872 18.926 ( -3.353 -1.936 0.028) 3.872 19.285 ( -8.837 -5.102 -14.532) 17.757 19.285 ( -8.837 -5.102 14.532) 17.757 22.268 ( -6.479 -3.741 -11.654) 13.849 22.268 ( -6.479 -3.741 11.654) 13.849 22.508 ( 0.377 0.218 -0.483) 0.650 22.508 ( 0.377 0.218 0.483) 0.650 22.533 ( 0.525 0.303 -0.269) 0.664 22.533 ( 0.525 0.303 0.269) 0.664 23.459 ( -17.427 -10.061 -12.989) 23.951 23.459 ( -17.427 -10.061 12.989) 23.951 24.255 ( -6.789 -3.919 -12.405) 14.674 24.255 ( -6.789 -3.919 12.405) 14.674 25.025 ( -15.398 -8.890 -8.443) 19.683 25.025 ( -15.398 -8.890 8.443) 19.683 ======================= Grid point 317 (39/66) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.024 ( 6.421 3.707 -22.539) 23.727 4.024 ( 6.421 3.707 22.539) 23.727 4.359 ( 21.179 12.228 -15.274) 28.833 4.359 ( 21.179 12.228 15.274) 28.833 5.987 ( 37.055 21.394 -23.807) 48.964 5.987 ( 37.055 21.394 23.807) 48.964 6.005 ( 16.266 9.391 -28.152) 33.843 6.005 ( 16.266 9.391 28.152) 33.843 6.576 ( 9.681 5.589 -12.499) 16.768 6.576 ( 9.681 5.589 12.499) 16.768 7.570 ( 13.711 7.916 -24.865) 29.477 7.570 ( 13.711 7.916 24.865) 29.477 8.080 ( 0.119 0.069 -8.839) 8.840 8.080 ( 0.119 0.069 8.839) 8.840 8.594 ( 6.933 4.003 -10.928) 13.547 8.594 ( 6.933 4.003 10.928) 13.547 9.925 ( 38.989 22.510 -33.215) 55.947 9.925 ( 38.989 22.510 33.215) 55.947 10.107 ( 17.172 9.914 -1.260) 19.868 10.107 ( 17.172 9.914 1.260) 19.868 10.733 ( 20.071 11.588 -22.523) 32.317 10.733 ( 20.071 11.588 22.523) 32.317 11.668 ( 7.524 4.344 -20.663) 22.415 11.668 ( 7.524 4.344 20.663) 22.415 12.489 ( 37.313 21.542 -32.117) 53.738 12.489 ( 37.313 21.542 32.117) 53.738 13.314 ( 5.014 2.895 -0.017) 5.790 13.314 ( 5.014 2.895 0.017) 5.790 13.450 ( 39.985 23.085 -12.133) 47.738 13.450 ( 39.985 23.085 12.133) 47.738 14.239 ( 23.955 13.830 -19.523) 33.857 14.239 ( 23.955 13.830 19.523) 33.857 15.402 ( 6.886 3.976 -17.295) 19.035 15.402 ( 6.886 3.976 17.295) 19.035 16.895 ( 7.885 4.552 -7.919) 12.067 16.895 ( 7.885 4.552 7.919) 12.067 17.973 ( 4.109 2.372 -17.526) 18.157 17.973 ( 4.109 2.372 17.526) 18.157 18.844 ( -3.588 -2.072 -0.046) 4.144 18.844 ( -3.588 -2.072 0.046) 4.144 19.088 ( -7.424 -4.286 -13.319) 15.840 19.088 ( -7.424 -4.286 13.319) 15.840 22.095 ( -8.136 -4.697 -14.862) 17.582 22.095 ( -8.136 -4.697 14.862) 17.582 22.517 ( 0.396 0.228 -0.570) 0.730 22.517 ( 0.396 0.228 0.570) 0.730 22.547 ( 0.616 0.356 -0.415) 0.824 22.547 ( 0.616 0.356 0.415) 0.824 23.050 ( -16.546 -9.553 -14.169) 23.787 23.050 ( -16.546 -9.553 14.169) 23.787 24.045 ( -11.017 -6.361 -8.816) 15.477 24.045 ( -11.017 -6.361 8.816) 15.477 24.621 ( -18.557 -10.714 -5.231) 22.057 24.621 ( -18.557 -10.714 5.231) 22.057 ======================= Grid point 319 (40/66) ======================= q-point: ( 0.35 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.192 ( 7.404 4.275 -24.206) 25.672 4.192 ( 7.404 4.275 24.206) 25.672 4.790 ( 15.403 8.893 -13.235) 22.170 4.790 ( 15.403 8.893 13.235) 22.170 6.343 ( 12.399 7.159 -27.750) 31.225 6.343 ( 12.399 7.159 27.750) 31.225 6.680 ( 17.275 9.973 -26.522) 33.185 6.680 ( 17.275 9.973 26.522) 33.185 6.883 ( 19.578 11.303 -2.737) 22.772 6.883 ( 19.578 11.303 2.737) 22.772 7.854 ( 10.218 5.899 -25.076) 27.713 7.854 ( 10.218 5.899 25.076) 27.713 8.116 ( 4.084 2.358 -3.709) 6.000 8.116 ( 4.084 2.358 3.709) 6.000 8.755 ( 6.475 3.738 -10.498) 12.888 8.755 ( 6.475 3.738 10.498) 12.888 10.396 ( 6.024 3.478 -14.395) 15.987 10.396 ( 6.024 3.478 14.395) 15.987 10.478 ( 14.057 8.116 -0.865) 16.255 10.478 ( 14.057 8.116 0.865) 16.255 11.244 ( 5.298 3.059 -30.286) 30.898 11.244 ( 5.298 3.059 30.286) 30.898 11.784 ( 21.545 12.439 -20.682) 32.353 11.784 ( 21.545 12.439 20.682) 32.353 13.426 ( 4.436 2.561 -0.124) 5.124 13.426 ( 4.436 2.561 0.124) 5.124 13.437 ( 35.970 20.767 -29.233) 50.791 13.437 ( 35.970 20.767 29.233) 50.791 13.939 ( 4.294 2.479 -6.823) 8.435 13.939 ( 4.294 2.479 6.823) 8.435 14.955 ( 38.013 21.947 -8.385) 44.687 14.955 ( 38.013 21.947 8.385) 44.687 15.821 ( 22.721 13.118 -17.147) 31.343 15.821 ( 22.721 13.118 17.147) 31.343 17.064 ( 6.338 3.660 -9.281) 11.820 17.064 ( 6.338 3.660 9.281) 11.820 18.083 ( 4.746 2.740 -13.961) 14.998 18.083 ( 4.746 2.740 13.961) 14.998 18.762 ( -3.265 -1.885 -0.070) 3.771 18.762 ( -3.265 -1.885 0.070) 3.771 18.966 ( -2.269 -1.310 -11.172) 11.475 18.966 ( -2.269 -1.310 11.172) 11.475 21.893 ( -8.718 -5.033 -14.691) 17.809 21.893 ( -8.718 -5.033 14.691) 17.809 22.526 ( 0.391 0.226 -0.623) 0.769 22.526 ( 0.391 0.226 0.623) 0.769 22.561 ( 0.553 0.319 -0.515) 0.820 22.561 ( 0.553 0.319 0.515) 0.820 22.708 ( -12.072 -6.970 -13.072) 19.110 22.708 ( -12.072 -6.970 13.072) 19.110 23.749 ( -13.654 -7.883 -6.090) 16.902 23.749 ( -13.654 -7.883 6.090) 16.902 24.171 ( -19.289 -11.136 -3.295) 22.515 24.171 ( -19.289 -11.136 3.295) 22.515 ======================= Grid point 321 (41/66) ======================= q-point: ( 0.41 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.351 ( 5.646 3.260 -25.832) 26.642 4.351 ( 5.646 3.260 25.832) 26.642 5.082 ( 9.352 5.399 -12.509) 16.525 5.082 ( 9.352 5.399 12.509) 16.525 6.585 ( 8.033 4.638 -28.040) 29.535 6.585 ( 8.033 4.638 28.040) 29.535 6.913 ( 6.052 3.494 -22.396) 23.461 6.913 ( 6.052 3.494 22.396) 23.461 7.328 ( 14.086 8.133 -9.232) 18.703 7.328 ( 14.086 8.133 9.232) 18.703 8.043 ( 5.798 3.347 -23.838) 24.761 8.043 ( 5.798 3.347 23.838) 24.761 8.298 ( 10.891 6.288 -4.617) 13.397 8.298 ( 10.891 6.288 4.617) 13.397 8.889 ( 4.650 2.685 -8.933) 10.422 8.889 ( 4.650 2.685 8.933) 10.422 10.388 ( -5.277 -3.046 -8.074) 10.115 10.388 ( -5.277 -3.046 8.074) 10.115 10.755 ( 9.208 5.316 -0.501) 10.644 10.755 ( 9.208 5.316 0.501) 10.644 11.123 ( -6.445 -3.721 -17.261) 18.797 11.123 ( -6.445 -3.721 17.261) 18.797 12.477 ( 27.828 16.066 -28.575) 43.000 12.477 ( 27.828 16.066 28.575) 43.000 13.516 ( 3.106 1.793 -0.194) 3.591 13.516 ( 3.106 1.793 0.194) 3.591 13.646 ( -7.598 -4.387 -9.337) 12.812 13.646 ( -7.598 -4.387 9.337) 12.812 14.446 ( 30.623 17.680 -26.108) 43.955 14.446 ( 30.623 17.680 26.108) 43.955 15.762 ( 27.342 15.786 -9.642) 33.011 15.762 ( 27.342 15.786 9.642) 33.011 16.256 ( 12.568 7.256 -11.082) 18.260 16.256 ( 12.568 7.256 11.082) 18.260 17.175 ( 2.646 1.528 -10.669) 11.098 17.175 ( 2.646 1.528 10.669) 11.098 18.202 ( 5.690 3.285 -19.780) 20.843 18.202 ( 5.690 3.285 19.780) 20.843 18.695 ( -2.311 -1.334 -0.065) 2.669 18.695 ( -2.311 -1.334 0.065) 2.669 18.988 ( 3.523 2.034 -8.396) 9.330 18.988 ( 3.523 2.034 8.396) 9.330 21.703 ( -7.009 -4.046 -10.404) 13.181 21.703 ( -7.009 -4.046 10.404) 13.181 22.495 ( -5.879 -3.394 -8.807) 11.119 22.495 ( -5.879 -3.394 8.807) 11.119 22.534 ( 0.298 0.172 -0.644) 0.730 22.534 ( 0.298 0.172 0.644) 0.730 22.572 ( 0.377 0.217 -0.568) 0.716 22.572 ( 0.377 0.217 0.568) 0.716 23.433 ( -12.326 -7.117 -4.319) 14.874 23.433 ( -12.326 -7.117 4.319) 14.874 23.742 ( -16.338 -9.433 -2.195) 18.993 23.742 ( -16.338 -9.433 2.195) 18.993 ======================= Grid point 323 (42/66) ======================= q-point: ( 0.47 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.444 ( 2.074 1.197 -27.952) 28.055 4.444 ( 2.074 1.197 27.952) 28.055 5.229 ( 3.142 1.814 -12.360) 12.882 5.229 ( 3.142 1.814 12.360) 12.882 6.715 ( 2.827 1.632 -28.322) 28.510 6.715 ( 2.827 1.632 28.322) 28.510 7.003 ( 1.811 1.046 -22.769) 22.865 7.003 ( 1.811 1.046 22.769) 22.865 7.531 ( 3.911 2.258 -2.589) 5.206 7.531 ( 3.911 2.258 2.589) 5.206 8.131 ( 1.777 1.026 -22.465) 22.559 8.131 ( 1.777 1.026 22.465) 22.559 8.540 ( 7.014 4.050 -8.888) 12.025 8.540 ( 7.014 4.050 8.888) 12.025 8.965 ( 1.713 0.989 -7.494) 7.750 8.965 ( 1.713 0.989 7.494) 7.750 10.237 ( -5.035 -2.907 -14.194) 15.339 10.237 ( -5.035 -2.907 14.194) 15.339 10.903 ( 3.206 1.851 -0.191) 3.707 10.903 ( 3.206 1.851 0.191) 3.707 11.033 ( -1.545 -0.892 -10.990) 11.134 11.033 ( -1.545 -0.892 10.990) 11.134 12.963 ( 12.195 7.041 -30.211) 33.332 12.963 ( 12.195 7.041 30.211) 33.332 13.468 ( -5.774 -3.334 -8.029) 10.436 13.468 ( -5.774 -3.334 8.029) 10.436 13.567 ( 1.122 0.648 -0.229) 1.315 13.567 ( 1.122 0.648 0.229) 1.315 14.998 ( 13.619 7.863 -24.791) 29.358 14.998 ( 13.619 7.863 24.791) 29.358 16.159 ( 6.235 3.600 -8.748) 11.330 16.159 ( 6.235 3.600 8.748) 11.330 16.447 ( 4.990 2.881 -6.440) 8.641 16.447 ( 4.990 2.881 6.440) 8.641 17.191 ( -0.501 -0.289 -12.525) 12.538 17.191 ( -0.501 -0.289 12.525) 12.538 18.328 ( 3.702 2.138 -24.895) 25.259 18.328 ( 3.702 2.138 24.895) 25.259 18.657 ( -0.838 -0.484 -0.028) 0.968 18.657 ( -0.838 -0.484 0.028) 0.968 19.076 ( 2.612 1.508 -4.382) 5.320 19.076 ( 2.612 1.508 4.382) 5.320 21.584 ( -2.693 -1.555 -4.479) 5.453 21.584 ( -2.693 -1.555 4.479) 5.453 22.420 ( -1.075 -0.621 -3.118) 3.356 22.420 ( -1.075 -0.621 3.118) 3.356 22.539 ( 0.112 0.065 -0.631) 0.644 22.539 ( 0.112 0.065 0.631) 0.644 22.578 ( 0.133 0.077 -0.573) 0.593 22.578 ( 0.133 0.077 0.573) 0.593 23.215 ( -5.245 -3.028 -3.362) 6.927 23.215 ( -5.245 -3.028 3.362) 6.927 23.452 ( -7.058 -4.075 -1.773) 8.340 23.452 ( -7.058 -4.075 1.773) 8.340 ======================= Grid point 343 (43/66) ======================= q-point: ( 0.06 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 17.939 31.071 -30.349) 46.993 2.243 ( 17.939 31.071 30.349) 46.993 2.398 ( 25.641 44.412 -6.900) 51.745 2.398 ( 25.641 44.412 6.900) 51.745 4.086 ( 1.365 2.364 -30.158) 30.282 4.086 ( 1.365 2.364 30.158) 30.282 4.446 ( 16.497 28.573 -36.164) 48.953 4.446 ( 16.497 28.573 36.164) 48.953 4.649 ( 31.379 54.350 -53.457) 82.439 4.649 ( 31.379 54.350 53.457) 82.439 6.340 ( 1.063 1.841 -18.682) 18.802 6.340 ( 1.063 1.841 18.682) 18.802 6.504 ( 6.712 11.625 -2.119) 13.589 6.504 ( 6.712 11.625 2.119) 13.589 7.904 ( 22.972 39.789 -33.643) 56.945 7.904 ( 22.972 39.789 33.643) 56.945 8.242 ( -0.153 -0.265 -7.427) 7.434 8.242 ( -0.153 -0.265 7.427) 7.434 8.483 ( 10.478 18.148 -14.050) 25.230 8.483 ( 10.478 18.148 14.050) 25.230 8.865 ( 7.046 12.204 -0.116) 14.093 8.865 ( 7.046 12.204 0.116) 14.093 9.016 ( 9.745 16.879 -13.280) 23.585 9.016 ( 9.745 16.879 13.280) 23.585 9.875 ( 9.999 17.319 -13.431) 24.090 9.875 ( 9.999 17.319 13.431) 24.090 11.505 ( 2.063 3.573 -19.257) 19.694 11.505 ( 2.063 3.573 19.257) 19.694 12.972 ( 2.080 3.602 -0.457) 4.185 12.972 ( 2.080 3.602 0.457) 4.185 13.707 ( 1.788 3.096 -27.046) 27.281 13.707 ( 1.788 3.096 27.046) 27.281 15.282 ( 10.982 19.022 -6.728) 22.972 15.282 ( 10.982 19.022 6.728) 22.972 16.754 ( -12.196 -21.123 -15.672) 28.992 16.754 ( -12.196 -21.123 15.672) 28.992 18.809 ( -12.477 -21.611 -29.415) 38.574 18.809 ( -12.477 -21.611 29.415) 38.574 19.067 ( -0.821 -1.423 -0.029) 1.643 19.067 ( -0.821 -1.423 0.029) 1.643 19.913 ( -14.698 -25.457 -14.975) 32.990 19.913 ( -14.698 -25.457 14.975) 32.990 22.488 ( -0.605 -1.047 -1.408) 1.856 22.488 ( -0.605 -1.047 1.408) 1.856 22.491 ( -0.190 -0.329 -0.874) 0.953 22.491 ( -0.190 -0.329 0.874) 0.953 22.521 ( 0.175 0.303 -0.166) 0.388 22.521 ( 0.175 0.303 0.166) 0.388 23.782 ( 5.968 10.338 -4.730) 12.840 23.782 ( 5.968 10.338 4.730) 12.840 24.688 ( -6.770 -11.727 -3.130) 13.898 24.688 ( -6.770 -11.727 3.130) 13.898 25.428 ( 2.899 5.021 -25.962) 26.602 25.428 ( 2.899 5.021 25.962) 26.602 ======================= Grid point 345 (44/66) ======================= q-point: ( 0.12 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 22.123 29.578 -23.987) 44.041 2.923 ( 22.123 29.578 23.987) 44.041 3.388 ( 32.329 39.852 -9.354) 52.161 3.388 ( 32.329 39.852 9.354) 52.161 4.076 ( 2.368 1.879 -19.830) 20.059 4.076 ( 2.368 1.879 19.830) 20.059 4.921 ( 16.427 19.106 -30.523) 39.580 4.921 ( 16.427 19.106 30.523) 39.580 5.985 ( 34.907 40.851 -38.812) 66.285 5.985 ( 34.907 40.851 38.812) 66.285 6.508 ( 20.795 19.841 -44.940) 53.346 6.508 ( 20.795 19.841 44.940) 53.346 6.781 ( 9.163 14.964 -10.051) 20.221 6.781 ( 9.163 14.964 10.051) 20.221 8.239 ( 3.471 0.557 -6.108) 7.047 8.239 ( 3.471 0.557 6.108) 7.047 8.432 ( 4.106 11.342 -13.891) 18.398 8.432 ( 4.106 11.342 13.891) 18.398 9.172 ( 16.461 21.892 -9.075) 28.855 9.172 ( 16.461 21.892 9.075) 28.855 9.252 ( 28.264 35.715 -22.952) 51.002 9.252 ( 28.264 35.715 22.952) 51.002 9.658 ( 34.533 35.295 -6.912) 49.860 9.658 ( 34.533 35.295 6.912) 49.860 10.323 ( 18.427 16.460 -23.371) 34.009 10.323 ( 18.427 16.460 23.371) 34.009 11.763 ( 16.581 17.868 -23.504) 33.862 11.763 ( 16.581 17.868 23.504) 33.862 13.065 ( 2.998 5.443 -0.234) 6.218 13.065 ( 2.998 5.443 0.234) 6.218 13.629 ( -5.066 -6.449 -18.478) 20.216 13.629 ( -5.066 -6.449 18.478) 20.216 15.631 ( 6.764 8.084 -7.881) 13.161 15.631 ( 6.764 8.084 7.881) 13.161 16.474 ( -2.751 -3.873 -10.277) 11.322 16.474 ( -2.751 -3.873 10.277) 11.322 18.310 ( -15.785 -18.554 -42.736) 49.191 18.310 ( -15.785 -18.554 42.736) 49.191 19.029 ( -1.937 -1.310 -0.034) 2.338 19.029 ( -1.937 -1.310 0.034) 2.338 19.571 ( -7.849 -9.746 -8.485) 15.119 19.571 ( -7.849 -9.746 8.485) 15.119 22.428 ( -2.735 -3.578 -5.338) 6.984 22.428 ( -2.735 -3.578 5.338) 6.984 22.503 ( 0.219 1.025 -0.186) 1.064 22.503 ( 0.219 1.025 0.186) 1.064 22.530 ( 0.051 1.010 -0.148) 1.022 22.530 ( 0.051 1.010 0.148) 1.022 23.864 ( -2.875 -3.492 -4.230) 6.193 23.864 ( -2.875 -3.492 4.230) 6.193 24.450 ( -6.593 -7.986 -10.691) 14.884 24.450 ( -6.593 -7.986 10.691) 14.884 25.390 ( -5.102 -6.628 -16.475) 18.476 25.390 ( -5.102 -6.628 16.475) 18.476 ======================= Grid point 347 (45/66) ======================= q-point: ( 0.18 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.552 ( 18.640 17.193 -10.917) 27.609 3.552 ( 18.640 17.193 10.917) 27.609 3.958 ( 4.656 18.502 -11.682) 22.371 3.958 ( 4.656 18.502 11.682) 22.371 4.623 ( 35.985 32.191 -13.845) 50.228 4.623 ( 35.985 32.191 13.845) 50.228 5.410 ( 16.895 17.871 -26.476) 36.136 5.410 ( 16.895 17.871 26.476) 36.136 6.337 ( 4.594 5.539 -23.448) 24.527 6.337 ( 4.594 5.539 23.448) 24.527 7.110 ( 11.045 14.573 -18.700) 26.154 7.110 ( 11.045 14.573 18.700) 26.154 7.659 ( 40.310 34.909 -37.904) 65.423 7.659 ( 40.310 34.909 37.904) 65.423 8.406 ( 12.533 12.150 -12.588) 21.521 8.406 ( 12.533 12.150 12.588) 21.521 8.562 ( 4.627 12.522 -12.749) 18.460 8.562 ( 4.627 12.522 12.749) 18.460 9.599 ( 11.978 21.734 -2.394) 24.932 9.599 ( 11.978 21.734 2.394) 24.932 10.165 ( 24.393 25.360 -4.987) 35.539 10.165 ( 24.393 25.360 4.987) 35.539 10.560 ( 31.744 23.523 -27.230) 47.985 10.560 ( 31.744 23.523 27.230) 47.985 11.117 ( 45.523 34.709 -5.180) 57.479 11.117 ( 45.523 34.709 5.180) 57.479 12.361 ( 23.611 18.872 -21.800) 37.268 12.361 ( 23.611 18.872 21.800) 37.268 13.182 ( 2.916 6.957 -0.258) 7.547 13.182 ( 2.916 6.957 0.258) 7.547 13.551 ( 4.647 2.559 -15.827) 16.692 13.551 ( 4.647 2.559 15.827) 16.692 15.595 ( -7.994 -6.448 -14.064) 17.415 15.595 ( -7.994 -6.448 14.064) 17.415 16.581 ( 8.831 6.758 -18.634) 21.700 16.581 ( 8.831 6.758 18.634) 21.700 17.976 ( -6.297 -7.322 -37.266) 38.497 17.976 ( -6.297 -7.322 37.266) 38.497 18.972 ( -3.111 -0.944 -0.032) 3.252 18.972 ( -3.111 -0.944 0.032) 3.252 19.354 ( -7.042 -8.432 -14.061) 17.843 19.354 ( -7.042 -8.432 14.061) 17.843 22.319 ( -4.555 -5.040 -9.608) 11.767 22.319 ( -4.555 -5.040 9.608) 11.767 22.517 ( -0.091 1.586 -0.440) 1.648 22.517 ( -0.091 1.586 0.440) 1.648 22.544 ( -0.134 1.817 -0.468) 1.881 22.544 ( -0.134 1.817 0.468) 1.881 23.614 ( -13.276 -12.984 -11.914) 22.064 23.614 ( -13.276 -12.984 11.915) 22.064 24.302 ( -4.405 -5.475 -13.494) 15.215 24.302 ( -4.405 -5.475 13.494) 15.215 25.147 ( -10.852 -12.155 -10.166) 19.206 25.147 ( -10.852 -12.155 10.166) 19.206 ======================= Grid point 349 (46/66) ======================= q-point: ( 0.24 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( 10.699 0.206 -17.930) 20.881 3.860 ( 10.699 0.206 17.930) 20.881 4.369 ( 8.887 33.339 -12.303) 36.631 4.369 ( 8.887 33.339 12.303) 36.631 5.588 ( 35.073 28.296 -19.973) 49.292 5.588 ( 35.073 28.296 19.973) 49.292 5.867 ( 15.524 16.204 -23.253) 32.315 5.867 ( 15.524 16.204 23.253) 32.315 6.496 ( 6.715 7.038 -14.183) 17.198 6.496 ( 6.715 7.038 14.183) 17.198 7.441 ( 10.972 11.082 -20.436) 25.706 7.441 ( 10.972 11.082 20.436) 25.706 8.120 ( 2.071 8.828 -13.700) 16.429 8.120 ( 2.071 8.828 13.700) 16.429 8.616 ( 1.856 12.239 -12.585) 17.653 8.616 ( 1.856 12.239 12.585) 17.653 9.450 ( 45.017 35.625 -36.891) 68.239 9.450 ( 45.017 35.625 36.891) 68.239 10.038 ( 11.805 23.446 -2.456) 26.365 10.038 ( 11.805 23.446 2.456) 26.365 10.571 ( 10.900 10.688 -17.026) 22.868 10.571 ( 10.900 10.688 17.026) 22.868 11.446 ( 29.462 18.706 -14.986) 37.980 11.446 ( 29.462 18.706 14.986) 37.980 12.117 ( 29.622 19.649 -20.596) 41.082 12.117 ( 29.622 19.649 20.596) 41.082 12.991 ( 34.569 22.227 -13.826) 43.361 12.991 ( 34.569 22.227 13.826) 43.361 13.316 ( 3.488 9.308 -0.719) 9.966 13.316 ( 3.488 9.308 0.719) 9.966 13.956 ( 24.046 16.037 -17.216) 33.642 13.956 ( 24.046 16.037 17.216) 33.642 15.394 ( -4.148 -2.920 -13.856) 14.755 15.394 ( -4.148 -2.920 13.856) 14.755 16.804 ( 8.297 5.746 -8.269) 13.047 16.804 ( 8.297 5.746 8.269) 13.047 17.915 ( 2.644 -1.010 -22.699) 22.875 17.915 ( 2.644 -1.010 22.699) 22.875 18.899 ( -4.200 -0.930 -0.308) 4.313 18.899 ( -4.200 -0.930 0.308) 4.313 19.147 ( -6.440 -8.121 -13.668) 17.154 19.147 ( -6.440 -8.121 13.668) 17.154 22.165 ( -6.281 -6.314 -13.465) 16.144 22.165 ( -6.281 -6.314 13.465) 16.144 22.531 ( -0.477 1.963 -0.554) 2.094 22.531 ( -0.477 1.963 0.554) 2.094 22.560 ( -0.440 2.161 -0.632) 2.294 22.560 ( -0.440 2.161 0.632) 2.294 23.215 ( -15.130 -13.439 -13.782) 24.484 23.215 ( -15.130 -13.439 13.782) 24.484 24.130 ( -7.479 -8.382 -10.111) 15.114 24.130 ( -7.479 -8.382 10.111) 15.114 24.780 ( -14.464 -15.117 -6.315) 21.855 24.780 ( -14.464 -15.117 6.315) 21.855 ======================= Grid point 351 (47/66) ======================= q-point: ( 0.29 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.045 ( 10.305 0.511 -23.841) 25.978 4.045 ( 10.305 0.511 23.841) 25.978 4.835 ( 5.407 31.521 -12.239) 34.243 4.835 ( 5.407 31.521 12.239) 34.243 6.210 ( 13.780 10.668 -22.257) 28.268 6.210 ( 13.780 10.668 22.257) 28.268 6.444 ( 24.508 19.885 -28.150) 42.290 6.444 ( 24.508 19.885 28.150) 42.290 6.733 ( 11.504 11.373 -5.410) 17.058 6.733 ( 11.504 11.373 5.410) 17.058 7.707 ( 9.490 5.548 -17.833) 20.949 7.707 ( 9.490 5.548 17.833) 20.949 8.226 ( -1.810 15.324 -10.815) 18.843 8.226 ( -1.810 15.324 10.815) 18.843 8.793 ( 1.862 15.265 -11.163) 19.003 8.793 ( 1.862 15.265 11.163) 19.003 10.230 ( 12.746 10.682 -17.993) 24.502 10.230 ( 12.746 10.682 17.993) 24.502 10.535 ( 9.704 28.136 -5.506) 30.267 10.535 ( 9.704 28.136 5.506) 30.267 11.013 ( 26.431 14.045 -29.743) 42.196 11.013 ( 26.431 14.045 29.743) 42.196 11.672 ( 0.636 -1.083 -19.224) 19.265 11.672 ( 0.636 -1.083 19.224) 19.265 12.972 ( 40.454 24.459 -33.044) 57.677 12.972 ( 40.454 24.459 33.044) 57.677 13.437 ( 2.612 9.156 -0.430) 9.531 13.437 ( 2.612 9.156 0.430) 9.531 13.834 ( 18.298 12.546 -4.219) 22.583 13.834 ( 18.298 12.546 4.219) 22.583 14.532 ( 29.979 16.376 -15.390) 37.466 14.532 ( 29.979 16.376 15.390) 37.466 15.567 ( 18.686 11.399 -18.442) 28.621 15.567 ( 18.686 11.399 18.442) 28.621 16.991 ( 6.842 4.867 -7.922) 11.543 16.991 ( 6.842 4.867 7.922) 11.543 17.992 ( 5.912 -0.988 -13.562) 14.827 17.992 ( 5.912 -0.988 13.562) 14.827 18.800 ( -4.313 -3.550 -2.000) 5.933 18.800 ( -4.313 -3.550 2.000) 5.933 18.991 ( -3.409 -3.774 -9.909) 11.138 18.991 ( -3.409 -3.774 9.909) 11.138 21.974 ( -7.429 -7.155 -15.040) 18.237 21.974 ( -7.429 -7.155 15.040) 18.237 22.538 ( -0.817 1.431 -0.540) 1.734 22.538 ( -0.817 1.431 0.540) 1.734 22.565 ( -0.925 0.687 -0.093) 1.155 22.565 ( -0.925 0.687 0.093) 1.155 22.846 ( -12.363 -9.435 -13.384) 20.518 22.846 ( -12.363 -9.435 13.384) 20.518 23.870 ( -10.663 -10.602 -6.981) 16.579 23.870 ( -10.663 -10.602 6.981) 16.579 24.346 ( -16.145 -15.962 -3.955) 23.045 24.346 ( -16.145 -15.962 3.955) 23.045 ======================= Grid point 353 (48/66) ======================= q-point: ( 0.35 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.225 ( 9.181 0.235 -24.791) 26.437 4.225 ( 9.181 0.235 24.791) 26.437 5.187 ( 0.031 27.702 -11.921) 30.158 5.187 ( 0.031 27.702 11.921) 30.158 6.493 ( 9.030 5.998 -22.440) 24.922 6.493 ( 9.030 5.998 22.440) 24.922 6.825 ( 9.088 5.654 -21.761) 24.251 6.825 ( 9.088 5.654 21.761) 24.251 7.186 ( 16.048 17.047 -11.447) 26.061 7.186 ( 16.048 17.047 11.447) 26.061 7.914 ( 9.105 4.488 -15.713) 18.707 7.914 ( 9.105 4.488 15.713) 18.707 8.384 ( -0.870 19.787 -10.048) 22.209 8.384 ( -0.870 19.787 10.048) 22.209 8.973 ( -0.958 17.502 -8.964) 19.687 8.973 ( -0.958 17.502 8.964) 19.687 10.360 ( 0.140 -2.474 -7.719) 8.107 10.360 ( 0.140 -2.474 7.719) 8.107 10.874 ( 0.193 25.239 -0.797) 25.252 10.874 ( 0.193 25.239 0.797) 25.252 11.205 ( -6.025 -3.254 -21.519) 22.582 11.205 ( -6.025 -3.254 21.519) 22.582 12.105 ( 31.686 16.099 -26.317) 44.224 12.105 ( 31.686 16.099 26.317) 44.224 13.552 ( 0.377 8.290 -1.078) 8.368 13.552 ( 0.377 8.290 1.078) 8.368 13.696 ( 5.281 4.609 -14.092) 15.739 13.696 ( 5.281 4.609 14.092) 15.739 14.090 ( 23.819 14.470 -20.141) 34.386 14.090 ( 23.819 14.470 20.141) 34.386 15.366 ( 35.823 17.500 -9.315) 40.943 15.366 ( 35.823 17.500 9.315) 40.943 16.059 ( 18.972 9.575 -14.020) 25.460 16.059 ( 18.972 9.575 14.020) 25.460 17.137 ( 4.387 3.406 -9.154) 10.707 17.137 ( 4.387 3.406 9.154) 10.707 18.085 ( 7.057 -2.874 -15.479) 17.253 18.085 ( 7.057 -2.874 15.479) 17.253 18.700 ( -1.283 -5.223 -2.552) 5.953 18.700 ( -1.283 -5.223 2.552) 5.953 18.959 ( 0.834 1.408 -7.042) 7.229 18.959 ( 0.834 1.408 7.042) 7.229 21.770 ( -6.949 -6.960 -12.611) 15.993 21.770 ( -6.949 -6.960 12.611) 15.993 22.488 ( -2.606 -7.375 -5.495) 9.559 22.488 ( -2.606 -7.375 5.495) 9.559 22.544 ( -1.006 0.196 -1.122) 1.520 22.544 ( -1.006 0.196 1.122) 1.520 22.640 ( -5.422 0.614 -4.435) 7.031 22.640 ( -5.422 0.614 4.435) 7.031 23.562 ( -11.513 -9.780 -4.814) 15.855 23.562 ( -11.513 -9.780 4.814) 15.855 23.908 ( -15.386 -13.822 -2.535) 20.838 23.908 ( -15.386 -13.822 2.535) 20.838 ======================= Grid point 355 (49/66) ======================= q-point: ( 0.41 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.358 ( 6.213 -1.483 -26.687) 27.441 4.358 ( 6.213 -1.483 26.687) 27.441 5.399 ( -5.586 23.589 -11.954) 27.028 5.399 ( -5.586 23.589 11.954) 27.028 6.654 ( 5.552 0.544 -20.356) 21.106 6.654 ( 5.552 0.544 20.356) 21.106 6.987 ( 3.462 4.933 -17.901) 18.888 6.987 ( 3.462 4.933 17.901) 18.888 7.508 ( 5.241 9.700 -5.868) 12.489 7.508 ( 5.241 9.700 5.868) 12.489 8.109 ( 5.033 6.524 -19.918) 21.555 8.109 ( 5.033 6.524 19.918) 21.555 8.584 ( 0.943 17.738 -5.922) 18.724 8.584 ( 0.943 17.738 5.922) 18.724 9.102 ( -5.113 17.842 -6.267) 19.590 9.102 ( -5.113 17.842 6.267) 19.590 10.248 ( -4.785 -7.303 -10.474) 13.635 10.248 ( -4.785 -7.303 10.474) 13.635 11.021 ( -3.514 5.414 -9.585) 11.555 11.021 ( -3.514 5.414 9.585) 11.555 11.134 ( -6.266 17.542 -2.721) 18.825 11.134 ( -6.266 17.542 2.721) 18.825 12.731 ( 22.204 8.358 -29.027) 37.489 12.731 ( 22.204 8.358 29.027) 37.489 13.527 ( -5.455 -4.943 -8.348) 11.130 13.527 ( -5.455 -4.943 8.348) 11.130 13.686 ( -5.614 13.056 -0.681) 14.228 13.686 ( -5.614 13.056 0.681) 14.228 14.745 ( 24.812 10.934 -24.924) 36.829 14.745 ( 24.812 10.934 24.924) 36.829 15.994 ( 18.989 7.010 -9.430) 22.330 15.994 ( 18.989 7.010 9.430) 22.330 16.352 ( 8.367 2.180 -6.761) 10.976 16.352 ( 8.367 2.180 6.761) 10.976 17.196 ( 0.135 0.603 -10.642) 10.660 17.196 ( 0.135 0.603 10.642) 10.660 18.193 ( 8.918 -4.445 -21.471) 23.670 18.193 ( 8.918 -4.445 21.471) 23.670 18.652 ( 0.809 -3.655 -0.794) 3.826 18.652 ( 0.809 -3.655 0.794) 3.826 19.026 ( 3.516 2.025 -4.746) 6.244 19.026 ( 3.516 2.025 4.746) 6.244 21.608 ( -3.829 -5.159 -7.110) 9.583 21.608 ( -3.829 -5.159 7.110) 9.583 22.394 ( 0.620 -5.364 -5.014) 7.369 22.394 ( 0.620 -5.364 5.014) 7.369 22.524 ( -0.143 -2.059 -0.643) 2.162 22.524 ( -0.143 -2.059 0.643) 2.162 22.581 ( -2.258 -1.419 -0.358) 2.691 22.581 ( -2.258 -1.419 0.358) 2.691 23.303 ( -8.340 -4.690 -3.428) 10.164 23.303 ( -8.341 -4.690 3.428) 10.164 23.559 ( -10.680 -7.265 -1.780) 13.039 23.559 ( -10.680 -7.265 1.780) 13.039 ======================= Grid point 357 (50/66) ======================= q-point: ( 0.47 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.406 ( 2.213 -3.833 -27.920) 28.268 4.406 ( 2.213 -3.833 27.920) 28.268 5.470 ( -11.436 19.807 -11.991) 25.824 5.470 ( -11.436 19.807 11.991) 25.824 6.705 ( 1.843 -3.193 -19.129) 19.481 6.705 ( 1.843 -3.193 19.129) 19.481 7.044 ( -1.932 3.347 -16.032) 16.491 7.044 ( -1.932 3.347 16.032) 16.491 7.599 ( -2.740 4.746 -0.019) 5.480 7.599 ( -2.740 4.746 0.019) 5.480 8.188 ( -2.996 5.188 -22.052) 22.851 8.188 ( -2.996 5.188 22.052) 22.851 8.704 ( -6.060 10.495 -4.475) 12.919 8.704 ( -6.060 10.495 4.475) 12.919 9.148 ( -9.377 16.242 -4.196) 19.218 9.148 ( -9.377 16.242 4.196) 19.218 10.147 ( 1.854 -3.211 -14.072) 14.552 10.147 ( 1.854 -3.211 14.072) 14.552 11.002 ( -0.593 1.027 -10.973) 11.037 11.002 ( -0.593 1.027 10.973) 11.037 11.189 ( -12.019 20.818 -1.030) 24.060 11.189 ( -12.019 20.818 1.030) 24.060 12.992 ( 2.535 -4.392 -30.565) 30.982 12.992 ( 2.535 -4.392 30.565) 30.982 13.422 ( 0.374 -0.648 -6.780) 6.821 13.422 ( 0.374 -0.648 6.780) 6.821 13.711 ( -7.515 13.017 -0.001) 15.031 13.711 ( -7.515 13.017 0.001) 15.031 15.043 ( 2.078 -3.599 -23.920) 24.278 15.043 ( 2.078 -3.599 23.920) 24.278 16.173 ( 1.046 -1.812 -9.288) 9.520 16.173 ( 1.046 -1.812 9.288) 9.520 16.446 ( 1.909 -3.307 -7.612) 8.516 16.446 ( 1.909 -3.307 7.612) 8.516 17.190 ( -0.207 0.358 -11.120) 11.127 17.190 ( -0.207 0.358 11.120) 11.127 18.260 ( 4.751 -8.229 -23.156) 25.030 18.260 ( 4.751 -8.229 23.156) 25.030 18.643 ( 1.388 -2.404 -0.541) 2.828 18.643 ( 1.388 -2.404 0.541) 2.827 19.076 ( 0.383 -0.664 -2.292) 2.417 19.076 ( 0.383 -0.664 2.292) 2.417 21.546 ( 1.267 -2.195 -2.599) 3.631 21.546 ( 1.267 -2.195 2.599) 3.631 22.384 ( 1.687 -2.922 -0.775) 3.462 22.384 ( 1.687 -2.922 0.775) 3.462 22.509 ( 1.766 -3.058 -0.446) 3.559 22.509 ( 1.766 -3.058 0.446) 3.559 22.542 ( 2.033 -3.522 -0.494) 4.096 22.542 ( 2.033 -3.522 0.494) 4.096 23.202 ( -1.024 1.773 -2.885) 3.538 23.202 ( -1.024 1.773 2.886) 3.538 23.422 ( -0.750 1.299 -1.569) 2.171 23.422 ( -0.750 1.299 1.569) 2.171 ======================= Grid point 381 (51/66) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( 11.571 20.041 -4.944) 23.664 3.475 ( 11.571 20.041 4.944) 23.664 4.041 ( 12.516 21.678 -12.235) 27.862 4.041 ( 12.516 21.678 12.235) 27.862 4.455 ( 23.182 40.153 -14.153) 48.476 4.455 ( 23.182 40.153 14.153) 48.476 5.348 ( 12.533 21.708 -21.827) 33.238 5.348 ( 12.533 21.708 21.827) 33.238 6.327 ( 3.919 6.789 -20.634) 22.073 6.327 ( 3.919 6.789 20.634) 22.073 7.098 ( 9.049 15.674 -10.667) 21.008 7.098 ( 9.049 15.674 10.667) 21.008 7.453 ( 30.963 53.630 -42.187) 74.931 7.453 ( 30.963 53.630 42.187) 74.931 8.351 ( 7.660 13.268 -12.546) 19.802 8.351 ( 7.660 13.268 12.546) 19.802 8.617 ( 4.692 8.127 -14.543) 17.308 8.617 ( 4.692 8.127 14.543) 17.308 9.622 ( 13.610 23.573 -3.228) 27.411 9.622 ( 13.610 23.573 3.228) 27.411 10.075 ( 23.197 40.179 -11.720) 47.852 10.075 ( 23.197 40.179 11.720) 47.852 10.386 ( 15.350 26.587 -34.887) 46.471 10.386 ( 15.350 26.587 34.887) 46.471 10.866 ( 25.931 44.914 -3.307) 51.968 10.866 ( 25.931 44.914 3.307) 51.968 12.239 ( 14.890 25.791 -21.904) 36.969 12.239 ( 14.890 25.791 21.904) 36.969 13.199 ( 4.166 7.215 -0.069) 8.331 13.199 ( 4.166 7.215 0.069) 8.331 13.527 ( -0.044 -0.075 -15.465) 15.466 13.527 ( -0.044 -0.075 15.465) 15.466 15.634 ( -4.108 -7.115 -14.347) 16.532 15.634 ( -4.108 -7.115 14.347) 16.532 16.533 ( 4.884 8.459 -19.732) 22.017 16.533 ( 4.884 8.459 19.732) 22.017 17.997 ( -6.295 -10.904 -38.944) 40.929 17.997 ( -6.295 -10.904 38.944) 40.929 18.999 ( -0.957 -1.657 -0.086) 1.915 18.999 ( -0.957 -1.657 0.086) 1.915 19.371 ( -5.855 -10.142 -13.664) 17.996 19.371 ( -5.855 -10.142 13.664) 17.996 22.333 ( -3.313 -5.739 -8.708) 10.943 22.333 ( -3.313 -5.739 8.708) 10.943 22.529 ( 0.845 1.464 -0.433) 1.745 22.529 ( 0.845 1.464 0.433) 1.745 22.557 ( 0.927 1.605 -0.686) 1.977 22.557 ( 0.927 1.605 0.686) 1.977 23.664 ( -8.783 -15.212 -11.284) 20.878 23.664 ( -8.783 -15.212 11.284) 20.878 24.311 ( -3.672 -6.360 -13.610) 15.465 24.311 ( -3.672 -6.360 13.610) 15.465 25.177 ( -8.029 -13.907 -10.831) 19.369 25.177 ( -8.029 -13.907 10.831) 19.369 ======================= Grid point 383 (52/66) ======================= q-point: ( 0.18 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.724 ( 6.782 4.558 -18.331) 20.070 3.724 ( 6.782 4.558 18.331) 20.070 4.570 ( 12.268 36.071 -12.459) 40.085 4.570 ( 12.268 36.071 12.459) 40.085 5.353 ( 28.873 37.471 -20.608) 51.599 5.353 ( 28.873 37.471 20.608) 51.599 5.779 ( 13.439 17.575 -15.040) 26.752 5.779 ( 13.439 17.575 15.040) 26.752 6.473 ( 4.926 7.868 -11.674) 14.915 6.473 ( 4.926 7.868 11.674) 14.915 7.401 ( 8.259 13.186 -13.253) 20.438 7.401 ( 8.259 13.186 13.253) 20.438 8.168 ( 9.037 18.803 -18.635) 27.973 8.168 ( 9.037 18.803 18.635) 27.973 8.688 ( 5.354 11.796 -14.527) 19.464 8.688 ( 5.354 11.796 14.527) 19.464 9.153 ( 33.582 44.624 -34.311) 65.546 9.153 ( 33.582 44.624 34.311) 65.546 10.103 ( 11.476 25.584 -5.858) 28.645 10.103 ( 11.476 25.584 5.858) 28.645 10.567 ( 6.239 16.159 -10.108) 20.055 10.567 ( 6.239 16.159 10.108) 20.055 11.125 ( 30.718 29.616 -13.988) 44.904 11.125 ( 30.718 29.616 13.988) 44.904 11.845 ( 28.436 31.851 -14.093) 44.964 11.845 ( 28.436 31.851 14.093) 44.964 12.731 ( 19.470 20.910 -15.328) 32.423 12.731 ( 19.470 20.910 15.328) 32.423 13.351 ( 4.229 9.584 -1.805) 10.631 13.351 ( 4.229 9.584 1.805) 10.631 13.770 ( 16.003 18.290 -14.598) 28.350 13.770 ( 16.003 18.290 14.598) 28.350 15.444 ( -5.978 -6.851 -12.098) 15.134 15.444 ( -5.978 -6.851 12.098) 15.134 16.733 ( 6.961 7.818 -9.654) 14.241 16.733 ( 6.961 7.818 9.654) 14.241 17.873 ( -0.436 -2.976 -26.403) 26.574 17.873 ( -0.436 -2.976 26.403) 26.574 18.956 ( -2.743 -1.020 -0.377) 2.950 18.956 ( -2.743 -1.020 0.377) 2.950 19.158 ( -5.908 -10.400 -13.635) 18.138 19.158 ( -5.908 -10.400 13.635) 18.138 22.194 ( -4.923 -7.266 -12.212) 15.039 22.194 ( -4.923 -7.266 12.212) 15.039 22.558 ( 0.237 2.278 -0.590) 2.365 22.558 ( 0.237 2.278 0.590) 2.365 22.590 ( 0.206 2.397 -1.040) 2.621 22.590 ( 0.206 2.397 1.040) 2.621 23.303 ( -12.172 -16.657 -13.368) 24.583 23.303 ( -12.172 -16.657 13.368) 24.583 24.153 ( -5.743 -9.325 -10.682) 15.299 24.153 ( -5.743 -9.325 10.682) 15.299 24.838 ( -11.628 -17.799 -6.918) 22.358 24.838 ( -11.628 -17.799 6.918) 22.358 ======================= Grid point 385 (53/66) ======================= q-point: ( 0.24 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.893 ( 8.283 3.333 -25.644) 27.154 3.893 ( 8.283 3.333 25.644) 27.154 5.121 ( 6.051 38.112 -11.295) 40.208 5.121 ( 6.051 38.112 11.295) 40.208 6.082 ( 15.191 17.252 -14.934) 27.412 6.082 ( 15.191 17.252 14.934) 27.412 6.250 ( 21.589 21.386 -26.421) 40.268 6.250 ( 21.589 21.386 26.421) 40.268 6.684 ( 8.659 12.888 -5.018) 16.317 6.684 ( 8.659 12.888 5.018) 16.317 7.652 ( 6.709 10.266 -12.231) 17.321 7.652 ( 6.709 10.266 12.231) 17.321 8.425 ( 0.920 19.785 -15.493) 25.146 8.425 ( 0.920 19.785 15.493) 25.146 8.925 ( 4.655 18.508 -13.804) 23.554 8.925 ( 4.655 18.508 13.804) 23.554 10.160 ( 21.534 32.055 -30.960) 49.495 10.160 ( 21.534 32.055 30.960) 49.495 10.563 ( 18.847 23.773 -15.831) 34.220 10.563 ( 18.847 23.773 15.831) 34.220 10.862 ( 7.062 21.646 -8.113) 24.171 10.862 ( 7.062 21.646 8.113) 24.171 11.622 ( 5.485 -0.497 -19.155) 19.932 11.622 ( 5.485 -0.497 19.155) 19.932 12.577 ( 31.976 26.908 -33.771) 53.731 12.577 ( 31.976 26.908 33.771) 53.731 13.436 ( 15.692 16.180 -1.469) 22.588 13.436 ( 15.692 16.180 1.469) 22.588 13.618 ( 19.822 21.924 -6.552) 30.274 13.618 ( 19.822 21.924 6.552) 30.274 14.266 ( 18.092 14.305 -20.172) 30.641 14.266 ( 18.092 14.305 20.172) 30.641 15.426 ( 7.879 6.848 -16.820) 19.796 15.426 ( 7.879 6.848 16.820) 19.796 16.926 ( 6.719 6.349 -4.792) 10.413 16.926 ( 6.719 6.349 4.792) 10.413 17.882 ( 3.574 -2.728 -14.668) 15.342 17.882 ( 3.574 -2.728 14.668) 15.342 18.836 ( -6.211 -8.102 -6.173) 11.930 18.836 ( -6.211 -8.102 6.173) 11.930 19.010 ( -2.241 -2.445 -5.906) 6.774 19.010 ( -2.241 -2.445 5.906) 6.774 22.013 ( -6.258 -8.515 -14.390) 17.853 22.013 ( -6.258 -8.515 14.390) 17.853 22.575 ( -1.236 1.548 -0.307) 2.004 22.575 ( -1.236 1.548 0.307) 2.004 22.599 ( -1.513 0.815 -0.070) 1.720 22.599 ( -1.513 0.815 0.070) 1.720 22.942 ( -10.716 -11.981 -13.208) 20.805 22.942 ( -10.716 -11.981 13.208) 20.805 23.917 ( -8.230 -12.269 -7.402) 16.524 23.917 ( -8.230 -12.269 7.402) 16.524 24.423 ( -13.361 -19.352 -4.374) 23.919 24.423 ( -13.361 -19.352 4.374) 23.919 ======================= Grid point 387 (54/66) ======================= q-point: ( 0.29 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.078 ( 8.559 2.938 -24.857) 26.453 4.078 ( 8.559 2.938 24.857) 26.453 5.538 ( -0.731 33.964 -11.308) 35.805 5.538 ( -0.731 33.964 11.308) 35.805 6.393 ( 8.775 7.289 -15.032) 18.870 6.393 ( 8.775 7.289 15.032) 18.870 6.712 ( 12.132 9.366 -22.503) 27.226 6.712 ( 12.132 9.366 22.503) 27.226 7.115 ( 15.678 23.655 -10.022) 30.096 7.115 ( 15.678 23.655 10.022) 30.096 7.865 ( 6.041 10.868 -10.590) 16.332 7.865 ( 6.041 10.868 10.590) 16.332 8.636 ( -1.497 22.548 -13.723) 26.438 8.636 ( -1.497 22.548 13.723) 26.438 9.203 ( 1.145 24.319 -9.180) 26.019 9.203 ( 1.145 24.319 9.180) 26.019 10.423 ( -4.077 8.340 -10.076) 13.700 10.423 ( -4.077 8.340 10.076) 13.700 11.151 ( -1.172 20.570 -9.210) 22.569 11.151 ( -1.172 20.570 9.210) 22.569 11.216 ( 11.687 15.763 -21.672) 29.236 11.216 ( 11.687 15.763 21.672) 29.236 11.763 ( 20.355 11.838 -17.479) 29.325 11.763 ( 20.355 11.838 17.479) 29.325 13.445 ( 31.748 20.921 -27.883) 47.150 13.445 ( 31.748 20.921 27.883) 47.150 13.621 ( 1.783 6.219 -4.909) 8.122 13.621 ( 1.783 6.219 4.909) 8.122 14.037 ( 2.744 12.351 -1.708) 12.767 14.037 ( 2.744 12.351 1.708) 12.767 14.908 ( 34.940 19.163 -11.534) 41.485 14.908 ( 34.940 19.163 11.534) 41.485 15.815 ( 19.580 11.640 -15.615) 27.617 15.815 ( 19.580 11.640 15.615) 27.617 17.095 ( 5.293 5.414 -6.745) 10.140 17.095 ( 5.293 5.414 6.745) 10.140 17.919 ( 5.626 -6.386 -11.618) 14.402 17.919 ( 5.626 -6.386 11.618) 14.402 18.640 ( -2.797 -11.842 -7.002) 14.039 18.640 ( -2.797 -11.842 7.002) 14.039 18.992 ( -1.017 3.374 -2.694) 4.436 18.992 ( -1.017 3.374 2.694) 4.436 21.807 ( -6.580 -8.997 -13.471) 17.485 21.807 ( -6.580 -8.997 13.471) 17.485 22.473 ( -5.024 -8.952 -5.468) 11.631 22.473 ( -5.024 -8.952 5.468) 11.631 22.576 ( -2.114 0.317 -1.014) 2.366 22.576 ( -2.114 0.317 1.014) 2.366 22.736 ( -5.594 -1.493 -5.500) 7.986 22.736 ( -5.594 -1.493 5.500) 7.986 23.634 ( -9.118 -11.643 -4.946) 15.594 23.634 ( -9.118 -11.643 4.946) 15.594 23.997 ( -12.809 -17.205 -2.764) 21.627 23.997 ( -12.809 -17.205 2.764) 21.627 ======================= Grid point 389 (55/66) ======================= q-point: ( 0.35 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.238 ( 6.612 1.423 -24.412) 25.332 4.238 ( 6.612 1.423 24.412) 25.332 5.789 ( -5.345 26.277 -11.848) 29.316 5.789 ( -5.345 26.277 11.848) 29.316 6.568 ( 4.556 4.579 -12.801) 14.338 6.568 ( 4.556 4.579 12.800) 14.338 6.966 ( 6.904 8.226 -15.591) 18.932 6.966 ( 6.904 8.226 15.591) 18.932 7.544 ( 7.016 17.912 -8.203) 20.913 7.544 ( 7.016 17.912 8.203) 20.913 8.105 ( 6.744 13.250 -13.496) 20.080 8.105 ( 6.744 13.250 13.496) 20.080 8.823 ( -3.297 21.931 -10.112) 24.374 8.823 ( -3.297 21.931 10.112) 24.374 9.431 ( -4.583 25.380 -5.448) 26.359 9.431 ( -4.583 25.380 5.448) 26.359 10.338 ( -9.603 2.207 -6.270) 11.679 10.338 ( -9.603 2.207 6.270) 11.679 11.104 ( -5.310 -0.939 -13.914) 14.922 11.104 ( -5.310 -0.939 13.914) 14.922 11.539 ( -5.091 34.055 -3.801) 34.643 11.539 ( -5.091 34.055 3.801) 34.643 12.384 ( 26.784 10.936 -26.778) 39.421 12.384 ( 26.784 10.936 26.778) 39.421 13.561 ( -4.179 -5.058 -8.563) 10.788 13.561 ( -4.179 -5.058 8.563) 10.788 13.954 ( -1.117 20.241 -4.865) 20.847 13.954 ( -1.117 20.241 4.865) 20.847 14.409 ( 24.116 14.761 -20.049) 34.662 14.409 ( 24.116 14.761 20.049) 34.662 15.650 ( 28.573 10.237 -10.741) 32.196 15.650 ( 28.573 10.237 10.741) 32.196 16.195 ( 12.615 3.501 -8.968) 15.869 16.195 ( 12.615 3.501 8.968) 15.869 17.200 ( 1.296 2.799 -7.723) 8.316 17.200 ( 1.296 2.799 7.723) 8.316 17.961 ( 8.679 -9.146 -16.489) 20.757 17.961 ( 8.679 -9.146 16.489) 20.757 18.524 ( 3.497 -12.061 -4.940) 13.494 18.524 ( 3.497 -12.061 4.940) 13.494 19.034 ( 0.319 5.587 -2.086) 5.972 19.034 ( 0.319 5.587 2.086) 5.972 21.616 ( -4.721 -7.978 -9.100) 12.990 21.616 ( -4.721 -7.978 9.100) 12.990 22.318 ( -0.827 -8.397 -5.668) 10.165 22.318 ( -0.827 -8.397 5.668) 10.165 22.515 ( -2.491 -4.155 -0.563) 4.877 22.515 ( -2.491 -4.155 0.563) 4.877 22.625 ( -5.291 -3.888 -1.447) 6.724 22.625 ( -5.291 -3.888 1.447) 6.724 23.391 ( -7.417 -5.809 -3.201) 9.950 23.391 ( -7.417 -5.809 3.201) 9.950 23.655 ( -9.552 -9.551 -1.749) 13.621 23.655 ( -9.552 -9.551 1.749) 13.621 ======================= Grid point 391 (56/66) ======================= q-point: ( 0.41 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.329 ( 3.145 -0.803 -25.874) 26.077 4.329 ( 3.145 -0.803 25.874) 26.077 5.898 ( -8.389 19.518 -11.783) 24.293 5.898 ( -8.389 19.518 11.783) 24.293 6.653 ( 0.025 4.221 -11.657) 12.398 6.653 ( 0.025 4.221 11.657) 12.398 7.111 ( 0.747 6.274 -12.518) 14.022 7.111 ( 0.747 6.274 12.518) 14.022 7.732 ( -2.318 12.461 -2.015) 12.834 7.732 ( -2.318 12.461 2.015) 12.834 8.312 ( 0.377 11.505 -17.547) 20.985 8.312 ( 0.377 11.505 17.547) 20.985 8.951 ( -5.831 17.566 -4.496) 19.047 8.951 ( -5.831 17.566 4.496) 19.047 9.546 ( -9.799 22.118 -2.086) 24.281 9.546 ( -9.799 22.118 2.086) 24.281 10.203 ( -8.694 6.397 -10.827) 15.289 10.203 ( -8.694 6.397 10.827) 15.289 11.032 ( -2.525 0.796 -11.946) 12.236 11.032 ( -2.525 0.796 11.946) 12.236 11.716 ( -13.949 33.145 -3.234) 36.106 11.716 ( -13.949 33.145 3.234) 36.106 12.810 ( 13.866 -0.543 -28.047) 31.292 12.810 ( 13.866 -0.543 28.047) 31.292 13.432 ( -3.318 -3.644 -7.663) 9.111 13.432 ( -3.318 -3.644 7.663) 9.111 14.064 ( -10.180 23.015 -0.656) 25.174 14.064 ( -10.180 23.015 0.656) 25.174 14.873 ( 14.535 1.496 -22.364) 26.715 14.873 ( 14.535 1.496 22.364) 26.715 16.065 ( 11.474 0.534 -10.491) 15.556 16.065 ( 11.474 0.534 10.491) 15.556 16.333 ( 5.192 -4.427 -5.206) 8.582 16.333 ( 5.192 -4.427 5.206) 8.582 17.210 ( -1.215 0.953 -7.432) 7.591 17.210 ( -1.215 0.953 7.432) 7.591 18.027 ( 9.398 -11.419 -19.930) 24.818 18.027 ( 9.398 -11.419 19.930) 24.818 18.499 ( 6.731 -11.953 -1.929) 13.853 18.499 ( 6.731 -11.953 1.929) 13.853 19.093 ( -0.419 4.668 -0.945) 4.781 19.093 ( -0.419 4.668 0.945) 4.781 21.498 ( -0.420 -5.398 -3.538) 6.468 21.498 ( -0.420 -5.398 3.538) 6.468 22.288 ( 4.420 -4.984 -2.248) 7.030 22.288 ( 4.420 -4.984 2.248) 7.030 22.432 ( 0.663 -6.783 -0.152) 6.817 22.432 ( 0.663 -6.783 0.152) 6.817 22.477 ( -2.512 -8.381 -0.048) 8.749 22.477 ( -2.512 -8.381 0.048) 8.749 23.267 ( -3.998 1.117 -2.207) 4.702 23.267 ( -3.998 1.117 2.207) 4.702 23.482 ( -4.515 -0.276 -1.214) 4.684 23.482 ( -4.515 -0.276 1.214) 4.684 ======================= Grid point 417 (57/66) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.835 ( 3.924 6.796 -26.719) 27.847 3.835 ( 3.924 6.796 26.719) 27.847 5.281 ( 18.289 31.678 -11.796) 38.434 5.281 ( 18.289 31.678 11.796) 38.434 6.054 ( 13.970 24.197 -2.831) 28.083 6.054 ( 13.970 24.197 2.831) 28.083 6.141 ( 13.197 22.858 -20.618) 33.493 6.141 ( 13.197 22.858 20.618) 33.493 6.675 ( 7.840 13.579 -3.658) 16.101 6.675 ( 7.840 13.579 3.658) 16.101 7.649 ( 6.661 11.538 -10.562) 17.001 7.649 ( 6.661 11.538 10.562) 17.001 8.532 ( 9.543 16.529 -15.915) 24.851 8.532 ( 9.543 16.529 15.915) 24.851 8.977 ( 10.155 17.589 -14.945) 25.216 8.977 ( 10.155 17.589 14.945) 25.216 10.117 ( 26.932 46.648 -38.669) 66.308 10.117 ( 26.932 46.648 38.669) 66.308 10.517 ( 7.587 13.140 -12.681) 19.775 10.517 ( 7.587 13.140 12.681) 19.775 10.968 ( 14.354 24.862 -1.874) 28.770 10.968 ( 14.354 24.862 1.874) 28.770 11.532 ( 3.650 6.322 -17.797) 19.236 11.532 ( 3.650 6.322 17.797) 19.236 12.431 ( 18.407 31.882 -32.911) 49.381 12.431 ( 18.407 31.882 32.911) 49.381 13.329 ( 18.454 31.962 -4.367) 37.165 13.329 ( 18.454 31.962 4.367) 37.165 13.583 ( 8.700 15.068 -1.027) 17.429 13.583 ( 8.700 15.068 1.027) 17.429 14.179 ( 11.146 19.306 -17.958) 28.625 14.179 ( 11.146 19.306 17.958) 28.625 15.399 ( 2.710 4.694 -15.285) 16.218 15.399 ( 2.710 4.694 15.285) 16.218 16.896 ( 4.734 8.200 -1.976) 9.673 16.896 ( 4.734 8.200 1.976) 9.673 17.833 ( -0.928 -1.608 -15.525) 15.636 17.833 ( -0.928 -1.608 15.525) 15.636 18.850 ( -6.551 -11.347 -8.520) 15.630 18.850 ( -6.551 -11.347 8.520) 15.630 19.018 ( -0.667 -1.154 -3.491) 3.737 19.018 ( -0.667 -1.154 3.491) 3.737 22.025 ( -5.335 -9.241 -14.001) 17.603 22.025 ( -5.335 -9.241 14.001) 17.603 22.597 ( 0.306 0.530 -0.168) 0.635 22.597 ( 0.306 0.530 0.168) 0.635 22.619 ( -0.096 -0.167 -0.019) 0.193 22.619 ( -0.096 -0.167 0.019) 0.193 22.976 ( -8.056 -13.953 -13.062) 20.741 22.976 ( -8.056 -13.953 13.062) 20.741 23.924 ( -7.379 -12.781 -7.492) 16.551 23.924 ( -7.379 -12.781 7.492) 16.551 24.439 ( -11.974 -20.740 -4.509) 24.369 24.439 ( -11.974 -20.740 4.509) 24.369 ======================= Grid point 419 (58/66) ======================= q-point: ( 0.24 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.995 ( 6.089 6.462 -24.863) 26.401 3.995 ( 6.089 6.462 24.863) 26.401 5.794 ( 6.442 23.455 -11.504) 26.907 5.794 ( 6.442 23.455 11.504) 26.907 6.371 ( 7.075 15.097 -12.356) 20.751 6.371 ( 7.075 15.097 12.356) 20.751 6.603 ( 12.480 13.556 -22.878) 29.376 6.603 ( 12.480 13.556 22.878) 29.376 7.104 ( 15.364 27.025 -6.809) 31.824 7.104 ( 15.364 27.025 6.809) 31.824 7.883 ( 6.238 12.364 -9.441) 16.760 7.883 ( 6.238 12.364 9.441) 16.760 8.831 ( 4.496 18.418 -10.602) 21.721 8.831 ( 4.496 18.418 10.602) 21.721 9.377 ( 8.567 24.793 -7.467) 27.274 9.377 ( 8.567 24.793 7.467) 27.274 10.622 ( -3.848 11.328 -8.777) 14.838 10.622 ( -3.848 11.328 8.777) 14.838 11.013 ( 24.495 23.890 -28.902) 44.789 11.013 ( 24.495 23.890 28.902) 44.789 11.422 ( -0.720 18.707 -11.330) 21.882 11.422 ( -0.720 18.707 11.330) 21.882 11.620 ( 13.973 14.078 -4.816) 20.412 11.620 ( 13.973 14.078 4.816) 20.412 13.167 ( 26.163 29.592 -29.294) 49.176 13.167 ( 26.163 29.592 29.294) 49.176 13.636 ( 1.839 3.669 -7.518) 8.565 13.636 ( 1.839 3.669 7.518) 8.565 14.072 ( 13.110 20.785 -5.929) 25.279 14.072 ( 13.110 20.785 5.929) 25.279 14.618 ( 20.118 21.863 -18.093) 34.786 14.618 ( 20.118 21.863 18.093) 34.786 15.651 ( 12.700 13.591 -15.782) 24.394 15.651 ( 12.700 13.591 15.782) 24.394 17.065 ( 5.246 7.325 -2.723) 9.413 17.065 ( 5.246 7.325 2.723) 9.413 17.790 ( 0.519 -6.480 -9.738) 11.708 17.790 ( 0.519 -6.480 9.738) 11.708 18.585 ( -6.742 -14.654 -8.544) 18.253 18.585 ( -6.742 -14.654 8.544) 18.253 19.036 ( 0.450 3.424 -0.787) 3.542 19.036 ( 0.450 3.424 0.787) 3.542 21.822 ( -6.187 -10.066 -13.552) 17.980 21.822 ( -6.187 -10.066 13.552) 17.980 22.476 ( -6.375 -10.661 -5.715) 13.673 22.476 ( -6.375 -10.661 5.715) 13.673 22.611 ( -1.572 -0.578 -1.016) 1.959 22.611 ( -1.572 -0.578 1.016) 1.959 22.797 ( -3.715 -3.123 -5.400) 7.260 22.797 ( -3.715 -3.123 5.400) 7.260 23.656 ( -7.546 -12.353 -4.858) 15.269 23.656 ( -7.546 -12.353 4.858) 15.269 24.023 ( -11.279 -18.776 -2.859) 22.089 24.023 ( -11.279 -18.776 2.859) 22.089 ======================= Grid point 421 (59/66) ======================= q-point: ( 0.29 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.163 ( 5.669 5.244 -20.272) 21.693 4.163 ( 5.669 5.244 20.272) 21.693 5.992 ( 0.770 6.490 -10.022) 11.964 5.992 ( 0.770 6.490 10.022) 11.965 6.654 ( 2.736 21.592 -12.525) 25.111 6.654 ( 2.736 21.592 12.525) 25.111 6.917 ( 9.446 10.957 -17.355) 22.594 6.917 ( 9.446 10.957 17.355) 22.594 7.617 ( 9.883 25.147 -6.589) 27.811 7.617 ( 9.883 25.147 6.589) 27.811 8.130 ( 6.603 14.122 -10.740) 18.930 8.130 ( 6.603 14.122 10.740) 18.930 9.070 ( 0.793 18.934 -6.937) 20.181 9.070 ( 0.793 18.934 6.937) 20.181 9.715 ( 0.872 22.600 -3.037) 22.820 9.715 ( 0.872 22.600 3.037) 22.820 10.606 ( -9.290 12.027 -3.378) 15.568 10.606 ( -9.290 12.027 3.378) 15.568 11.202 ( -5.488 1.291 -10.065) 11.537 11.202 ( -5.488 1.291 10.065) 11.537 11.821 ( 15.456 23.610 -23.087) 36.460 11.821 ( 15.456 23.610 23.087) 36.460 12.148 ( 14.160 27.981 -8.654) 32.532 12.148 ( 14.160 27.981 8.654) 32.532 13.578 ( -3.246 -4.120 -9.821) 11.134 13.578 ( -3.246 -4.120 9.821) 11.134 13.904 ( 24.000 19.941 -22.077) 38.224 13.904 ( 24.000 19.941 22.077) 38.224 14.410 ( 3.700 22.477 -2.927) 22.967 14.410 ( 3.700 22.477 2.927) 22.967 15.269 ( 26.782 15.738 -12.590) 33.518 15.269 ( 26.782 15.738 12.590) 33.518 16.006 ( 13.158 6.525 -10.220) 17.893 16.006 ( 13.158 6.525 10.220) 17.893 17.209 ( 2.575 5.611 -4.606) 7.703 17.209 ( 2.575 5.611 4.606) 7.703 17.730 ( 4.231 -11.954 -11.005) 16.791 17.730 ( 4.231 -11.954 11.005) 16.791 18.349 ( -1.482 -16.231 -6.592) 17.581 18.349 ( -1.482 -16.231 6.592) 17.581 19.094 ( 0.454 6.089 -0.673) 6.143 19.094 ( 0.454 6.089 0.673) 6.143 21.615 ( -5.421 -9.636 -10.119) 14.988 21.615 ( -5.421 -9.636 10.119) 14.988 22.264 ( -3.860 -10.190 -6.261) 12.567 22.264 ( -3.860 -10.190 6.261) 12.567 22.524 ( -4.348 -6.293 -0.458) 7.663 22.524 ( -4.348 -6.293 0.458) 7.663 22.674 ( -6.095 -6.624 -1.914) 9.203 22.674 ( -6.095 -6.624 1.914) 9.203 23.442 ( -5.275 -6.104 -2.795) 8.538 23.442 ( -5.275 -6.104 2.795) 8.538 23.701 ( -7.351 -10.412 -1.688) 12.857 23.701 ( -7.351 -10.412 1.688) 12.857 ======================= Grid point 423 (60/66) ======================= q-point: ( 0.35 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.287 ( 3.099 3.312 -19.699) 20.214 4.287 ( 3.099 3.312 19.699) 20.214 6.023 ( 1.279 -1.961 -7.627) 7.979 6.023 ( 1.279 -1.961 7.627) 7.979 6.869 ( -4.235 22.186 -13.148) 26.135 6.869 ( -4.235 22.186 13.148) 26.135 7.146 ( 3.983 9.512 -17.099) 19.968 7.146 ( 3.983 9.512 17.099) 19.968 7.928 ( -0.502 19.876 -1.897) 19.973 7.928 ( -0.502 19.876 1.897) 19.973 8.380 ( 4.905 12.155 -12.821) 18.335 8.380 ( 4.905 12.155 12.821) 18.335 9.233 ( -3.790 17.517 -4.714) 18.531 9.233 ( -3.790 17.517 4.714) 18.531 9.850 ( -4.948 12.789 -1.154) 13.762 9.850 ( -4.948 12.789 1.154) 13.762 10.590 ( -13.468 24.277 -8.243) 28.961 10.590 ( -13.468 24.277 8.243) 28.961 11.119 ( -5.200 2.872 -11.266) 12.736 11.119 ( -5.200 2.872 11.266) 12.736 12.216 ( 0.813 24.796 -16.556) 29.826 12.216 ( 0.813 24.796 16.556) 29.826 12.601 ( 9.778 16.345 -14.272) 23.800 12.601 ( 9.778 16.345 14.272) 23.800 13.454 ( -3.884 -4.523 -8.513) 10.393 13.454 ( -3.884 -4.523 8.513) 10.393 14.405 ( 7.400 20.469 -10.373) 24.111 14.405 ( 7.400 20.469 10.373) 24.111 14.690 ( 5.436 15.117 -10.824) 19.371 14.690 ( 5.436 15.117 10.824) 19.371 15.792 ( 20.010 4.192 -12.395) 23.908 15.792 ( 20.010 4.192 12.395) 23.908 16.192 ( 5.968 -3.870 -2.092) 7.414 16.192 ( 5.968 -3.870 2.092) 7.414 17.247 ( -1.609 1.264 -3.876) 4.383 17.247 ( -1.609 1.264 3.876) 4.383 17.726 ( 9.531 -13.097 -14.907) 22.013 17.726 ( 9.531 -13.097 14.907) 22.013 18.216 ( 5.970 -17.731 -4.230) 19.181 18.216 ( 5.970 -17.731 4.230) 19.181 19.165 ( -0.340 6.754 -1.110) 6.853 19.165 ( -0.340 6.754 1.110) 6.853 21.455 ( -2.242 -7.510 -5.129) 9.367 21.455 ( -2.242 -7.510 5.129) 9.367 22.160 ( 2.301 -6.931 -3.217) 7.980 22.160 ( 2.301 -6.931 3.217) 7.980 22.363 ( -2.787 -10.061 -0.203) 10.441 22.363 ( -2.787 -10.061 0.203) 10.441 22.456 ( -6.374 -11.877 -0.878) 13.507 22.456 ( -6.374 -11.877 0.878) 13.507 23.345 ( -3.272 0.739 -1.554) 3.696 23.345 ( -3.272 0.739 1.554) 3.696 23.553 ( -3.771 -0.873 -0.919) 3.978 23.553 ( -3.771 -0.873 0.919) 3.978 ======================= Grid point 425 (61/66) ======================= q-point: ( 0.41 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.332 ( -0.615 1.066 -20.746) 20.782 4.332 ( -0.615 1.066 20.746) 20.782 6.021 ( 2.291 -3.968 -6.441) 7.904 6.021 ( 2.291 -3.968 6.441) 7.904 6.946 ( -11.126 19.271 -13.344) 25.947 6.946 ( -11.126 19.271 13.344) 25.947 7.232 ( -3.452 5.980 -17.134) 18.473 7.232 ( -3.452 5.980 17.134) 18.473 8.022 ( -9.041 15.659 -0.870) 18.102 8.022 ( -9.041 15.659 0.870) 18.102 8.494 ( -3.267 5.658 -12.752) 14.328 8.494 ( -3.267 5.658 12.752) 14.328 9.288 ( -8.696 15.063 -3.854) 17.815 9.288 ( -8.696 15.063 3.854) 17.815 9.862 ( -5.713 9.895 -0.942) 11.464 9.862 ( -5.713 9.895 0.942) 11.464 10.599 ( -16.544 28.655 -9.092) 34.314 10.599 ( -16.544 28.655 9.092) 34.314 11.088 ( -2.962 5.130 -13.527) 14.767 11.088 ( -2.962 5.130 13.527) 14.767 12.351 ( -12.292 21.291 -14.059) 28.320 12.351 ( -12.292 21.290 14.059) 28.320 12.779 ( -2.626 4.548 -15.958) 16.800 12.779 ( -2.626 4.548 15.958) 16.800 13.390 ( 0.382 -0.661 -7.026) 7.067 13.390 ( 0.382 -0.661 7.026) 7.067 14.571 ( -13.529 23.432 -1.297) 27.088 14.571 ( -13.529 23.432 1.297) 27.088 14.834 ( 1.385 -2.400 -19.710) 19.904 14.834 ( 1.385 -2.400 19.710) 19.904 16.024 ( 2.969 -5.142 -13.882) 15.099 16.024 ( 2.969 -5.142 13.883) 15.099 16.183 ( 5.058 -8.760 -4.535) 11.085 16.183 ( 5.057 -8.760 4.535) 11.085 17.230 ( -0.218 0.378 -2.035) 2.081 17.230 ( -0.218 0.378 2.035) 2.081 17.753 ( 8.340 -14.446 -15.496) 22.768 17.753 ( 8.340 -14.446 15.496) 22.768 18.182 ( 10.364 -17.951 -2.463) 20.874 18.182 ( 10.364 -17.951 2.463) 20.874 19.200 ( -3.054 5.290 -1.402) 6.267 19.200 ( -3.054 5.290 1.402) 6.267 21.395 ( 2.608 -4.518 -0.889) 5.292 21.395 ( 2.608 -4.518 0.889) 5.292 22.179 ( 3.675 -6.365 -0.186) 7.352 22.179 ( 3.675 -6.365 0.186) 7.352 22.278 ( 4.318 -7.480 -0.285) 8.642 22.278 ( 4.318 -7.480 0.285) 8.642 22.296 ( 4.316 -7.476 -0.254) 8.637 22.296 ( 4.316 -7.476 0.254) 8.637 23.322 ( -2.022 3.501 -1.214) 4.221 23.322 ( -2.022 3.501 1.214) 4.221 23.519 ( -1.745 3.023 -0.668) 3.554 23.519 ( -1.745 3.023 0.668) 3.554 ======================= Grid point 455 (62/66) ======================= q-point: ( 0.24 0.24 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.141 ( 4.256 7.371 -17.643) 19.588 4.141 ( 4.256 7.371 17.643) 19.588 6.001 ( 0.404 0.699 -8.714) 8.752 6.001 ( 0.404 0.699 8.714) 8.752 6.772 ( 11.876 20.569 -10.303) 25.890 6.772 ( 11.876 20.569 10.303) 25.890 6.873 ( 7.881 13.651 -19.242) 24.874 6.873 ( 7.881 13.651 19.242) 24.874 7.669 ( 15.135 26.215 -4.230) 30.564 7.669 ( 15.135 26.215 4.230) 30.564 8.146 ( 7.693 13.325 -10.601) 18.685 8.146 ( 7.693 13.325 10.601) 18.685 9.158 ( 7.893 13.671 -3.128) 16.093 9.158 ( 7.893 13.671 3.128) 16.093 9.832 ( 9.660 16.731 -0.350) 19.322 9.832 ( 9.660 16.731 0.350) 19.322 10.771 ( 4.308 7.462 -8.095) 11.823 10.771 ( 4.308 7.462 8.095) 11.823 11.287 ( 0.416 0.721 -2.501) 2.636 11.287 ( 0.416 0.721 2.501) 2.636 11.705 ( 12.613 21.846 -30.378) 39.486 11.705 ( 12.613 21.846 30.378) 39.486 12.241 ( 18.947 32.817 -0.536) 37.898 12.241 ( 18.947 32.817 0.536) 37.898 13.589 ( -2.010 -3.481 -10.942) 11.657 13.589 ( -2.010 -3.482 10.942) 11.657 13.774 ( 15.143 26.228 -21.657) 37.233 13.774 ( 15.143 26.228 21.657) 37.233 14.496 ( 12.107 20.970 -5.839) 24.908 14.496 ( 12.107 20.970 5.839) 24.908 15.108 ( 13.905 24.084 -14.749) 31.479 15.108 ( 13.905 24.084 14.749) 31.479 15.915 ( 6.359 11.013 -10.477) 16.477 15.915 ( 6.359 11.013 10.477) 16.477 17.218 ( 4.149 7.187 -0.923) 8.349 17.218 ( 4.149 7.187 0.923) 8.349 17.620 ( -5.643 -9.773 -8.353) 14.040 17.620 ( -5.643 -9.773 8.353) 14.040 18.276 ( -8.679 -15.032 -6.646) 18.586 18.276 ( -8.679 -15.032 6.646) 18.586 19.123 ( 2.797 4.844 -0.267) 5.600 19.123 ( 2.797 4.844 0.267) 5.600 21.613 ( -5.827 -10.094 -10.392) 15.615 21.613 ( -5.827 -10.094 10.392) 15.615 22.247 ( -5.981 -10.360 -6.491) 13.611 22.247 ( -5.981 -10.360 6.491) 13.611 22.532 ( -4.395 -7.613 -0.364) 8.798 22.532 ( -4.395 -7.613 0.364) 8.798 22.696 ( -4.946 -8.567 -2.006) 10.093 22.696 ( -4.946 -8.567 2.006) 10.093 23.457 ( -3.690 -6.391 -2.556) 7.809 23.457 ( -3.690 -6.391 2.556) 7.809 23.711 ( -6.136 -10.629 -1.645) 12.383 23.711 ( -6.136 -10.629 1.645) 12.383 ======================= Grid point 457 (63/66) ======================= q-point: ( 0.29 0.24 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.278 ( 3.357 5.677 -10.986) 12.814 4.278 ( 3.357 5.677 10.986) 12.814 5.960 ( -0.524 -5.436 -5.338) 7.637 5.960 ( -0.524 -5.436 5.338) 7.637 7.071 ( 3.556 13.785 -13.463) 19.594 7.071 ( 3.556 13.785 13.463) 19.594 7.183 ( 6.932 16.447 -18.074) 25.401 7.183 ( 6.932 16.447 18.074) 25.401 8.095 ( 5.779 18.882 -6.826) 20.893 8.095 ( 5.779 18.882 6.826) 20.893 8.423 ( 6.367 15.677 -13.355) 21.556 8.423 ( 6.367 15.677 13.355) 21.556 9.389 ( 3.269 12.163 -1.662) 12.704 9.389 ( 3.269 12.163 1.662) 12.704 10.010 ( -1.177 7.143 -0.815) 7.285 10.010 ( -1.177 7.143 0.815) 7.285 10.990 ( 0.211 23.615 -13.600) 27.252 10.990 ( 0.211 23.615 13.600) 27.252 11.250 ( -4.426 3.128 -11.387) 12.611 11.250 ( -4.426 3.128 11.387) 12.611 12.126 ( 14.285 9.377 -29.651) 34.223 12.126 ( 14.285 9.377 29.651) 34.223 12.837 ( 8.075 34.967 -1.246) 35.908 12.837 ( 8.075 34.967 1.246) 35.908 13.474 ( -3.687 -5.061 -10.100) 11.884 13.474 ( -3.687 -5.061 10.100) 11.884 14.289 ( 16.150 17.150 -14.998) 27.927 14.289 ( 16.150 17.150 14.998) 27.927 14.897 ( 5.677 24.237 -6.249) 25.665 14.897 ( 5.677 24.237 6.249) 25.665 15.546 ( 14.399 11.724 -13.058) 22.699 15.546 ( 14.399 11.724 13.058) 22.699 16.067 ( 4.313 -0.521 -2.355) 4.942 16.067 ( 4.313 -0.521 2.355) 4.942 17.293 ( -3.551 -1.191 -0.810) 3.832 17.293 ( -3.551 -1.191 0.810) 3.832 17.467 ( 4.726 -9.979 -7.823) 13.532 17.467 ( 4.726 -9.979 7.823) 13.532 18.000 ( -3.180 -17.242 -4.447) 18.088 18.000 ( -3.180 -17.242 4.447) 18.088 19.222 ( 1.689 6.080 -0.825) 6.364 19.222 ( 1.689 6.080 0.825) 6.364 21.429 ( -3.956 -8.229 -5.987) 10.919 21.429 ( -3.956 -8.229 5.987) 10.919 22.083 ( -1.923 -7.275 -3.735) 8.401 22.083 ( -1.923 -7.275 3.735) 8.401 22.328 ( -5.806 -11.742 -0.278) 13.102 22.328 ( -5.806 -11.742 0.278) 13.102 22.452 ( -7.949 -13.867 -1.355) 16.041 22.452 ( -7.949 -13.867 1.355) 16.041 23.390 ( -1.230 0.179 -1.022) 1.609 23.390 ( -1.230 0.179 1.022) 1.609 23.591 ( -1.802 -1.212 -0.724) 2.289 23.591 ( -1.802 -1.212 0.724) 2.289 ======================= Grid point 459 (64/66) ======================= q-point: ( 0.35 0.24 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 289 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.362 ( 0.414 3.629 -11.560) 12.124 4.362 ( 0.414 3.629 11.560) 12.124 5.907 ( 2.134 -6.725 -2.550) 7.502 5.907 ( 2.134 -6.725 2.550) 7.502 7.212 ( -1.318 9.553 -13.472) 16.568 7.212 ( -1.318 9.553 13.472) 16.568 7.385 ( -1.794 13.378 -15.650) 20.667 7.385 ( -1.794 13.378 15.650) 20.667 8.272 ( -0.861 9.196 -9.157) 13.007 8.272 ( -0.861 9.196 9.157) 13.006 8.630 ( -2.818 15.955 -14.726) 21.894 8.630 ( -2.818 15.955 14.726) 21.894 9.518 ( -1.652 9.889 -4.443) 10.966 9.518 ( -1.652 9.889 4.443) 10.966 10.025 ( -3.664 6.333 -1.293) 7.430 10.025 ( -3.664 6.333 1.293) 7.430 11.112 ( -8.883 15.407 -17.611) 25.029 11.112 ( -8.883 15.407 17.611) 25.029 11.277 ( -6.275 18.673 -20.173) 28.196 11.277 ( -6.275 18.673 20.173) 28.196 12.365 ( 8.281 -2.240 -27.643) 28.944 12.365 ( 8.281 -2.240 27.643) 28.944 13.185 ( -8.233 31.151 -0.461) 32.224 13.185 ( -8.233 31.151 0.461) 32.224 13.394 ( -1.442 -0.534 -6.962) 7.130 13.394 ( -1.442 -0.534 6.963) 7.130 14.642 ( 9.140 4.663 -10.123) 14.414 14.642 ( 9.140 4.663 10.123) 14.414 15.133 ( -8.147 24.999 -5.062) 26.776 15.133 ( -8.147 24.999 5.062) 26.776 15.853 ( 12.037 2.982 -13.486) 18.321 15.853 ( 12.037 2.982 13.486) 18.321 16.050 ( -0.578 -8.822 -5.158) 10.236 16.050 ( -0.578 -8.822 5.158) 10.236 17.163 ( 2.109 -12.957 -6.823) 14.795 17.163 ( 2.109 -12.957 6.823) 14.795 17.516 ( 4.984 -4.335 -3.825) 7.633 17.516 ( 4.984 -4.335 3.825) 7.633 17.837 ( 5.564 -17.958 -2.289) 18.939 17.837 ( 5.564 -17.958 2.289) 18.939 19.291 ( -0.817 5.279 -1.177) 5.470 19.291 ( -0.817 5.279 1.177) 5.470 21.321 ( -0.083 -5.333 -1.874) 5.653 21.321 ( -0.083 -5.333 1.874) 5.653 22.041 ( 3.927 -4.686 -1.118) 6.215 22.041 ( 3.927 -4.686 1.118) 6.215 22.152 ( -0.323 -9.462 -0.488) 9.480 22.152 ( -0.323 -9.462 0.489) 9.480 22.202 ( -3.802 -11.455 -0.678) 12.088 22.202 ( -3.802 -11.455 0.678) 12.088 23.387 ( -1.321 2.610 -0.562) 2.979 23.387 ( -1.321 2.610 0.563) 2.979 23.577 ( -1.287 2.252 -0.324) 2.614 23.577 ( -1.287 2.252 0.324) 2.614 ======================= Grid point 491 (65/66) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.379 ( 2.174 3.766 -1.748) 4.686 4.379 ( 2.174 3.766 1.748) 4.686 5.850 ( -2.562 -4.438 -1.168) 5.256 5.850 ( -2.562 -4.438 1.168) 5.256 7.263 ( 3.656 6.332 -0.321) 7.319 7.263 ( 3.656 6.332 0.321) 7.319 7.479 ( 6.180 10.704 -4.281) 13.080 7.479 ( 6.180 10.704 4.281) 13.080 8.298 ( 1.646 2.851 -11.551) 12.011 8.298 ( 1.646 2.851 11.551) 12.012 8.785 ( 9.630 16.680 -4.847) 19.861 8.785 ( 9.630 16.680 4.847) 19.861 9.566 ( 3.148 5.453 -10.657) 12.378 9.566 ( 3.148 5.453 10.657) 12.378 10.097 ( 1.402 2.428 -2.140) 3.527 10.097 ( 1.402 2.428 2.140) 3.527 11.250 ( 0.760 1.317 -2.933) 3.304 11.250 ( 0.760 1.317 2.933) 3.304 11.482 ( 9.913 17.170 -2.527) 19.986 11.482 ( 9.913 17.170 2.527) 19.986 12.257 ( 2.281 3.951 -26.650) 27.038 12.257 ( 2.281 3.951 26.650) 27.038 13.386 ( -1.302 -2.256 -9.475) 9.827 13.386 ( -1.302 -2.256 9.475) 9.827 13.463 ( 13.323 23.076 -2.074) 26.726 13.463 ( 13.323 23.076 2.074) 26.726 14.578 ( 6.030 10.444 -5.052) 13.075 14.578 ( 6.030 10.444 5.052) 13.075 15.334 ( 9.388 16.260 -5.642) 19.605 15.334 ( 9.388 16.260 5.642) 19.605 15.762 ( 5.130 8.885 -8.207) 13.138 15.762 ( 5.130 8.885 8.207) 13.138 16.023 ( -0.550 -0.953 -8.223) 8.296 16.023 ( -0.550 -0.953 8.223) 8.296 17.022 ( -10.414 -18.038 -8.634) 22.547 17.022 ( -10.414 -18.038 8.634) 22.547 17.467 ( 1.873 3.244 -1.472) 4.025 17.467 ( 1.873 3.244 1.473) 4.025 17.688 ( -6.930 -12.004 -1.795) 13.976 17.688 ( -6.930 -12.004 1.795) 13.976 19.327 ( 2.227 3.857 -0.806) 4.526 19.327 ( 2.227 3.857 0.806) 4.526 21.294 ( -2.690 -4.658 -2.515) 5.938 21.294 ( -2.690 -4.658 2.515) 5.938 21.979 ( -1.502 -2.602 -1.352) 3.294 21.979 ( -1.502 -2.602 1.352) 3.294 22.106 ( -5.023 -8.700 -0.548) 10.061 22.106 ( -5.023 -8.700 0.548) 10.061 22.179 ( -6.641 -11.502 -1.035) 13.322 22.179 ( -6.641 -11.502 1.035) 13.322 23.413 ( 0.791 1.371 -0.187) 1.594 23.413 ( 0.791 1.371 0.187) 1.594 23.601 ( 0.679 1.176 -0.183) 1.370 23.601 ( 0.679 1.176 0.183) 1.370 ======================= Grid point 493 (66/66) ======================= q-point: ( 0.35 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.419 ( -0.938 1.625 -3.466) 3.941 4.419 ( -0.938 1.625 3.466) 3.941 5.802 ( 1.696 -2.938 -0.897) 3.509 5.802 ( 1.696 -2.938 0.897) 3.509 7.329 ( -1.588 2.751 -2.829) 4.253 7.329 ( -1.588 2.751 2.829) 4.253 7.593 ( -3.333 5.774 -2.667) 7.181 7.593 ( -3.333 5.774 2.667) 7.181 8.312 ( 0.728 -1.261 -12.075) 12.163 8.312 ( 0.728 -1.261 12.075) 12.163 8.974 ( -7.092 12.284 -7.401) 15.999 8.974 ( -7.092 12.284 7.401) 15.999 9.621 ( -0.502 0.870 -18.837) 18.864 9.621 ( -0.502 0.870 18.837) 18.864 10.120 ( -1.517 2.627 -0.805) 3.139 10.120 ( -1.517 2.627 0.805) 3.139 11.256 ( -1.934 3.349 -2.919) 4.846 11.256 ( -1.934 3.349 2.919) 4.846 11.671 ( -6.925 11.994 -3.549) 14.297 11.671 ( -6.925 11.994 3.549) 14.297 12.296 ( 1.567 -2.714 -25.056) 25.251 12.296 ( 1.567 -2.714 25.056) 25.251 13.354 ( 0.196 -0.339 -9.188) 9.196 13.354 ( 0.196 -0.339 9.188) 9.196 13.723 ( -8.649 14.980 -0.958) 17.324 13.723 ( -8.649 14.980 0.958) 17.324 14.689 ( -0.515 0.893 -2.886) 3.064 14.689 ( -0.515 0.893 2.886) 3.064 15.497 ( -4.453 7.713 -1.751) 9.076 15.497 ( -4.453 7.713 1.752) 9.077 15.825 ( 3.461 -5.995 -4.301) 8.150 15.825 ( 3.461 -5.995 4.301) 8.150 16.097 ( -9.272 16.060 -10.213) 21.171 16.097 ( -9.272 16.060 10.213) 21.171 16.769 ( 12.119 -20.991 -8.268) 25.610 16.769 ( 12.119 -20.991 8.268) 25.610 17.504 ( -0.390 0.675 -1.199) 1.430 17.504 ( -0.390 0.675 1.199) 1.430 17.559 ( 4.434 -7.680 -0.400) 8.877 17.559 ( 4.434 -7.680 0.400) 8.877 19.368 ( -1.151 1.994 -0.554) 2.368 19.368 ( -1.151 1.994 0.554) 2.368 21.246 ( 1.106 -1.916 -0.333) 2.237 21.246 ( 1.106 -1.916 0.333) 2.237 21.971 ( 1.181 -2.046 -0.173) 2.369 21.971 ( 1.181 -2.046 0.173) 2.369 22.012 ( 2.149 -3.723 -0.616) 4.343 22.012 ( 2.149 -3.723 0.616) 4.343 22.037 ( 2.377 -4.117 -0.405) 4.772 22.037 ( 2.377 -4.118 0.405) 4.772 23.429 ( -0.681 1.180 -0.122) 1.368 23.429 ( -0.681 1.180 0.122) 1.368 23.616 ( -0.647 1.121 -0.053) 1.296 23.616 ( -0.647 1.121 0.053) 1.296 =================== 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 3/31212 10.0 38843.399 38843.399 4726.259 -0.000 0.000 0.000 3/31212 20.0 14722.286 14722.286 7353.411 -0.000 0.000 0.000 3/31212 30.0 3295.340 3295.340 1825.082 -0.000 0.000 0.000 3/31212 40.0 1123.873 1123.873 647.409 -0.000 0.000 0.000 3/31212 50.0 553.029 553.029 319.285 -0.000 0.000 0.000 3/31212 60.0 332.088 332.088 190.695 -0.000 0.000 0.000 3/31212 70.0 223.211 223.211 127.713 -0.000 0.000 0.000 3/31212 80.0 161.472 161.472 92.266 -0.000 0.000 0.000 3/31212 90.0 123.215 123.215 70.393 -0.000 0.000 0.000 3/31212 100.0 97.978 97.978 55.976 -0.000 0.000 0.000 3/31212 110.0 80.512 80.512 45.983 -0.000 0.000 0.000 3/31212 120.0 67.940 67.940 38.771 -0.000 0.000 0.000 3/31212 130.0 58.590 58.590 33.391 -0.000 0.000 0.000 3/31212 140.0 51.436 51.436 29.261 -0.000 0.000 0.000 3/31212 150.0 45.826 45.826 26.015 -0.000 0.000 0.000 3/31212 160.0 41.331 41.331 23.410 -0.000 0.000 0.000 3/31212 170.0 37.661 37.661 21.280 -0.000 0.000 0.000 3/31212 180.0 34.616 34.616 19.511 -0.000 0.000 0.000 3/31212 190.0 32.050 32.050 18.021 -0.000 0.000 0.000 3/31212 200.0 29.861 29.861 16.751 -0.000 0.000 0.000 3/31212 210.0 27.972 27.972 15.655 -0.000 0.000 0.000 3/31212 220.0 26.325 26.325 14.701 -0.000 0.000 0.000 3/31212 230.0 24.876 24.876 13.863 -0.000 0.000 0.000 3/31212 240.0 23.591 23.591 13.120 -0.000 0.000 0.000 3/31212 250.0 22.443 22.443 12.458 -0.000 0.000 0.000 3/31212 260.0 21.411 21.411 11.864 -0.000 0.000 0.000 3/31212 270.0 20.477 20.477 11.327 -0.000 0.000 0.000 3/31212 280.0 19.628 19.628 10.840 -0.000 0.000 0.000 3/31212 290.0 18.852 18.852 10.396 -0.000 0.000 0.000 3/31212 300.0 18.140 18.140 9.989 -0.000 0.000 0.000 3/31212 310.0 17.483 17.483 9.615 -0.000 0.000 0.000 3/31212 320.0 16.876 16.876 9.270 -0.000 0.000 0.000 3/31212 330.0 16.313 16.313 8.950 -0.000 0.000 0.000 3/31212 340.0 15.789 15.789 8.652 -0.000 0.000 0.000 3/31212 350.0 15.299 15.299 8.375 -0.000 0.000 0.000 3/31212 360.0 14.841 14.841 8.116 -0.000 0.000 0.000 3/31212 370.0 14.411 14.411 7.874 -0.000 0.000 0.000 3/31212 380.0 14.007 14.007 7.646 -0.000 0.000 0.000 3/31212 390.0 13.626 13.626 7.432 -0.000 0.000 0.000 3/31212 400.0 13.266 13.266 7.230 -0.000 0.000 0.000 3/31212 410.0 12.925 12.925 7.039 -0.000 0.000 0.000 3/31212 420.0 12.603 12.603 6.858 -0.000 0.000 0.000 3/31212 430.0 12.297 12.297 6.687 -0.000 0.000 0.000 3/31212 440.0 12.006 12.006 6.524 -0.000 0.000 0.000 3/31212 450.0 11.729 11.729 6.370 -0.000 0.000 0.000 3/31212 460.0 11.465 11.465 6.223 -0.000 0.000 0.000 3/31212 470.0 11.213 11.213 6.083 -0.000 0.000 0.000 3/31212 480.0 10.972 10.972 5.949 -0.000 0.000 0.000 3/31212 490.0 10.742 10.742 5.821 -0.000 0.000 0.000 3/31212 500.0 10.521 10.521 5.699 -0.000 0.000 0.000 3/31212 510.0 10.310 10.310 5.582 -0.000 0.000 0.000 3/31212 520.0 10.107 10.107 5.470 -0.000 0.000 0.000 3/31212 530.0 9.912 9.912 5.362 -0.000 0.000 0.000 3/31212 540.0 9.725 9.725 5.258 -0.000 0.000 0.000 3/31212 550.0 9.545 9.545 5.159 -0.000 0.000 0.000 3/31212 560.0 9.371 9.371 5.063 -0.000 0.000 0.000 3/31212 570.0 9.204 9.204 4.971 -0.000 0.000 0.000 3/31212 580.0 9.043 9.043 4.883 -0.000 0.000 0.000 3/31212 590.0 8.888 8.888 4.797 -0.000 0.000 0.000 3/31212 600.0 8.737 8.737 4.715 -0.000 0.000 0.000 3/31212 610.0 8.592 8.592 4.635 -0.000 0.000 0.000 3/31212 620.0 8.452 8.452 4.558 -0.000 0.000 0.000 3/31212 630.0 8.316 8.316 4.484 -0.000 0.000 0.000 3/31212 640.0 8.185 8.185 4.412 -0.000 0.000 0.000 3/31212 650.0 8.058 8.058 4.342 -0.000 0.000 0.000 3/31212 660.0 7.935 7.935 4.275 -0.000 0.000 0.000 3/31212 670.0 7.815 7.815 4.209 -0.000 0.000 0.000 3/31212 680.0 7.699 7.699 4.146 -0.000 0.000 0.000 3/31212 690.0 7.587 7.587 4.084 -0.000 0.000 0.000 3/31212 700.0 7.478 7.478 4.025 -0.000 0.000 0.000 3/31212 710.0 7.372 7.372 3.967 -0.000 0.000 0.000 3/31212 720.0 7.269 7.269 3.911 -0.000 0.000 0.000 3/31212 730.0 7.169 7.169 3.856 -0.000 0.000 0.000 3/31212 740.0 7.071 7.071 3.803 -0.000 0.000 0.000 3/31212 750.0 6.976 6.976 3.751 -0.000 0.000 0.000 3/31212 760.0 6.884 6.884 3.701 -0.000 0.000 0.000 3/31212 770.0 6.794 6.794 3.652 -0.000 0.000 0.000 3/31212 780.0 6.707 6.707 3.605 -0.000 0.000 0.000 3/31212 790.0 6.621 6.621 3.558 -0.000 0.000 0.000 3/31212 800.0 6.538 6.538 3.513 -0.000 0.000 0.000 3/31212 810.0 6.457 6.457 3.469 -0.000 0.000 0.000 3/31212 820.0 6.378 6.378 3.426 -0.000 0.000 0.000 3/31212 830.0 6.301 6.301 3.384 -0.000 0.000 0.000 3/31212 840.0 6.226 6.226 3.343 -0.000 0.000 0.000 3/31212 850.0 6.153 6.153 3.303 -0.000 0.000 0.000 3/31212 860.0 6.081 6.081 3.264 -0.000 0.000 0.000 3/31212 870.0 6.011 6.011 3.226 -0.000 0.000 0.000 3/31212 880.0 5.942 5.942 3.189 -0.000 0.000 0.000 3/31212 890.0 5.875 5.875 3.153 -0.000 0.000 0.000 3/31212 900.0 5.810 5.810 3.118 -0.000 0.000 0.000 3/31212 910.0 5.746 5.746 3.083 -0.000 0.000 0.000 3/31212 920.0 5.683 5.683 3.049 -0.000 0.000 0.000 3/31212 930.0 5.622 5.622 3.016 -0.000 0.000 0.000 3/31212 940.0 5.562 5.562 2.983 -0.000 0.000 0.000 3/31212 950.0 5.504 5.504 2.952 -0.000 0.000 0.000 3/31212 960.0 5.446 5.446 2.921 -0.000 0.000 0.000 3/31212 970.0 5.390 5.390 2.890 -0.000 0.000 0.000 3/31212 980.0 5.335 5.335 2.861 -0.000 0.000 0.000 3/31212 990.0 5.281 5.281 2.831 -0.000 0.000 0.000 3/31212 1000.0 5.228 5.228 2.803 -0.000 0.000 0.000 3/31212 Thermal conductivity related properties were written into "kappa-m17172.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:53:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|