----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:18:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I2_13 (199) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.091461785000000 4.091461785000000 4.091461785000000 b 4.091461785000000 -4.091461785000000 4.091461785000000 c 4.091461785000000 4.091461785000000 -4.091461785000000 Atomic positions (fractional): *1 Cu 0.00000000000000 0.74475202937758 0.50000000000000 63.546 2 Cu 0.50000000000000 0.00000000000000 0.74475202937758 63.546 3 Cu 0.75524797062242 0.75524797062242 0.75524797062242 63.546 4 Cu 0.74475202937758 0.50000000000000 0.00000000000000 63.546 *5 H 0.01045089989151 0.48056206540912 0.64926014651828 1.008 6 H 0.33130191889085 0.36119075337324 0.85073985348172 1.008 7 H 0.48056206540912 0.64926014651828 0.01045089989151 1.008 8 H 0.02988883448239 0.16869808110915 0.01943793459088 1.008 9 H 0.16869808110915 0.01943793459088 0.02988883448239 1.008 10 H 0.47011116551761 0.48954910010849 0.13880924662676 1.008 11 H 0.01943793459088 0.02988883448239 0.16869808110915 1.008 12 H 0.36119075337324 0.85073985348172 0.33130191889085 1.008 13 H 0.85073985348172 0.33130191889085 0.36119075337324 1.008 14 H 0.48954910010849 0.13880924662676 0.47011116551761 1.008 15 H 0.64926014651828 0.01045089989151 0.48056206540912 1.008 16 H 0.13880924662676 0.47011116551761 0.48954910010849 1.008 *17 N 0.50000000000000 0.00000000000000 0.48079158195537 14.007 18 N 0.00000000000000 0.48079158195537 0.50000000000000 14.007 19 N 0.48079158195537 0.50000000000000 0.00000000000000 14.007 20 N 0.01920841804463 0.01920841804463 0.01920841804463 14.007 *21 Cl 0.00000000000000 0.03914823502309 0.50000000000000 35.453 22 Cl 0.03914823502309 0.50000000000000 0.00000000000000 35.453 23 Cl 0.50000000000000 0.00000000000000 0.03914823502309 35.453 24 Cl 0.46085176497691 0.46085176497691 0.46085176497691 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.182923570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.182923570000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.182923570000000 Atomic positions (fractional): *1 Cu 0.12237601468879 0.37762398531121 0.62237601468879 63.546 > 1 2 Cu 0.12237601468879 0.62237601468879 0.87762398531121 63.546 > 2 3 Cu 0.37762398531121 0.37762398531121 0.37762398531121 63.546 > 3 4 Cu 0.87762398531121 0.12237601468879 0.62237601468879 63.546 > 4 5 Cu 0.62237601468879 0.87762398531121 0.12237601468879 63.546 > 1 6 Cu 0.62237601468879 0.12237601468879 0.37762398531121 63.546 > 2 7 Cu 0.87762398531121 0.87762398531121 0.87762398531121 63.546 > 3 8 Cu 0.37762398531121 0.62237601468879 0.12237601468879 63.546 > 4 *9 H 0.55968565601794 0.08957449050033 0.92087640939118 1.008 > 5 10 H 0.44031434398205 0.41042550949967 0.92087640939118 1.008 > 6 11 H 0.08957449050033 0.92087640939118 0.55968565601794 1.008 > 7 12 H 0.07912359060882 0.94031434398206 0.08957449050033 1.008 > 8 13 H 0.44031434398205 0.58957449050033 0.57912359060882 1.008 > 9 14 H 0.07912359060882 0.05968565601795 0.41042550949967 1.008 > 10 15 H 0.08957449050033 0.07912359060882 0.94031434398206 1.008 > 11 16 H 0.41042550949967 0.92087640939118 0.44031434398205 1.008 > 12 17 H 0.42087640939118 0.94031434398206 0.91042550949967 1.008 > 13 18 H 0.55968565601794 0.91042550949967 0.57912359060882 1.008 > 14 19 H 0.42087640939118 0.05968565601795 0.58957449050033 1.008 > 15 20 H 0.41042550949967 0.07912359060882 0.05968565601795 1.008 > 16 21 H 0.05968565601795 0.58957449050033 0.42087640939118 1.008 > 5 22 H 0.94031434398206 0.91042550949967 0.42087640939118 1.008 > 6 23 H 0.58957449050033 0.42087640939118 0.05968565601795 1.008 > 7 24 H 0.57912359060882 0.44031434398205 0.58957449050033 1.008 > 8 25 H 0.94031434398206 0.08957449050033 0.07912359060882 1.008 > 9 26 H 0.57912359060882 0.55968565601794 0.91042550949967 1.008 > 10 27 H 0.58957449050033 0.57912359060882 0.44031434398205 1.008 > 11 28 H 0.91042550949967 0.42087640939118 0.94031434398206 1.008 > 12 29 H 0.92087640939118 0.44031434398205 0.41042550949967 1.008 > 13 30 H 0.05968565601795 0.41042550949967 0.07912359060882 1.008 > 14 31 H 0.92087640939118 0.55968565601794 0.08957449050033 1.008 > 15 32 H 0.91042550949967 0.57912359060882 0.55968565601794 1.008 > 16 *33 N 0.49039579097769 0.99039579097769 0.50960420902231 14.007 > 17 34 N 0.49039579097769 0.00960420902231 0.99039579097769 14.007 > 18 35 N 0.00960420902231 0.99039579097769 0.49039579097769 14.007 > 19 36 N 0.00960420902231 0.00960420902231 0.00960420902231 14.007 > 20 37 N 0.99039579097769 0.49039579097769 0.00960420902231 14.007 > 17 38 N 0.99039579097769 0.50960420902231 0.49039579097769 14.007 > 18 39 N 0.50960420902231 0.49039579097769 0.99039579097769 14.007 > 19 40 N 0.50960420902231 0.50960420902231 0.50960420902231 14.007 > 20 *41 Cl 0.26957411751154 0.23042588248846 0.76957411751154 35.453 > 21 42 Cl 0.23042588248846 0.76957411751154 0.26957411751154 35.453 > 22 43 Cl 0.26957411751154 0.76957411751154 0.73042588248846 35.453 > 23 44 Cl 0.23042588248846 0.23042588248846 0.23042588248846 35.453 > 24 45 Cl 0.76957411751154 0.73042588248846 0.26957411751154 35.453 > 21 46 Cl 0.73042588248846 0.26957411751154 0.76957411751154 35.453 > 22 47 Cl 0.76957411751154 0.26957411751154 0.23042588248846 35.453 > 23 48 Cl 0.73042588248846 0.73042588248846 0.73042588248846 35.453 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.182923570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.182923570000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.182923570000000 Atomic positions (fractional): *1 Cu 0.12237601468879 0.37762398531121 0.62237601468879 63.546 > 1 2 Cu 0.12237601468879 0.62237601468879 0.87762398531121 63.546 > 2 3 Cu 0.37762398531121 0.37762398531121 0.37762398531121 63.546 > 3 4 Cu 0.87762398531121 0.12237601468879 0.62237601468879 63.546 > 4 5 Cu 0.62237601468879 0.87762398531121 0.12237601468879 63.546 > 1 6 Cu 0.62237601468879 0.12237601468879 0.37762398531121 63.546 > 2 7 Cu 0.87762398531121 0.87762398531121 0.87762398531121 63.546 > 3 8 Cu 0.37762398531121 0.62237601468879 0.12237601468879 63.546 > 4 *9 H 0.55968565601794 0.08957449050033 0.92087640939118 1.008 > 5 10 H 0.44031434398205 0.41042550949967 0.92087640939118 1.008 > 6 11 H 0.08957449050033 0.92087640939118 0.55968565601794 1.008 > 7 12 H 0.07912359060882 0.94031434398206 0.08957449050033 1.008 > 8 13 H 0.44031434398205 0.58957449050033 0.57912359060882 1.008 > 9 14 H 0.07912359060882 0.05968565601795 0.41042550949967 1.008 > 10 15 H 0.08957449050033 0.07912359060882 0.94031434398206 1.008 > 11 16 H 0.41042550949967 0.92087640939118 0.44031434398205 1.008 > 12 17 H 0.42087640939118 0.94031434398206 0.91042550949967 1.008 > 13 18 H 0.55968565601794 0.91042550949967 0.57912359060882 1.008 > 14 19 H 0.42087640939118 0.05968565601795 0.58957449050033 1.008 > 15 20 H 0.41042550949967 0.07912359060882 0.05968565601795 1.008 > 16 21 H 0.05968565601795 0.58957449050033 0.42087640939118 1.008 > 5 22 H 0.94031434398206 0.91042550949967 0.42087640939118 1.008 > 6 23 H 0.58957449050033 0.42087640939118 0.05968565601795 1.008 > 7 24 H 0.57912359060882 0.44031434398205 0.58957449050033 1.008 > 8 25 H 0.94031434398206 0.08957449050033 0.07912359060882 1.008 > 9 26 H 0.57912359060882 0.55968565601794 0.91042550949967 1.008 > 10 27 H 0.58957449050033 0.57912359060882 0.44031434398205 1.008 > 11 28 H 0.91042550949967 0.42087640939118 0.94031434398206 1.008 > 12 29 H 0.92087640939118 0.44031434398205 0.41042550949967 1.008 > 13 30 H 0.05968565601795 0.41042550949967 0.07912359060882 1.008 > 14 31 H 0.92087640939118 0.55968565601794 0.08957449050033 1.008 > 15 32 H 0.91042550949967 0.57912359060882 0.55968565601794 1.008 > 16 *33 N 0.49039579097769 0.99039579097769 0.50960420902231 14.007 > 17 34 N 0.49039579097769 0.00960420902231 0.99039579097769 14.007 > 18 35 N 0.00960420902231 0.99039579097769 0.49039579097769 14.007 > 19 36 N 0.00960420902231 0.00960420902231 0.00960420902231 14.007 > 20 37 N 0.99039579097769 0.49039579097769 0.00960420902231 14.007 > 17 38 N 0.99039579097769 0.50960420902231 0.49039579097769 14.007 > 18 39 N 0.50960420902231 0.49039579097769 0.99039579097769 14.007 > 19 40 N 0.50960420902231 0.50960420902231 0.50960420902231 14.007 > 20 *41 Cl 0.26957411751154 0.23042588248846 0.76957411751154 35.453 > 21 42 Cl 0.23042588248846 0.76957411751154 0.26957411751154 35.453 > 22 43 Cl 0.26957411751154 0.76957411751154 0.73042588248846 35.453 > 23 44 Cl 0.23042588248846 0.23042588248846 0.23042588248846 35.453 > 24 45 Cl 0.76957411751154 0.73042588248846 0.26957411751154 35.453 > 21 46 Cl 0.73042588248846 0.26957411751154 0.76957411751154 35.453 > 22 47 Cl 0.76957411751154 0.26957411751154 0.23042588248846 35.453 > 23 48 Cl 0.73042588248846 0.73042588248846 0.73042588248846 35.453 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6338580 0.0000000 0.0000000 0.0000000 3.6338580 0.0000000 0.0000000 0.0000000 3.6338580 -------------------------- Born effective charges -------------------------- 1 Cu 0.6898874 -0.0556294 0.0629500 -0.0629500 0.6898874 -0.0556294 0.0556294 -0.0629500 0.6898874 2 Cu 0.6898874 0.0556294 -0.0629500 0.0629500 0.6898874 -0.0556294 -0.0556294 -0.0629500 0.6898874 3 Cu 0.6898874 0.0556294 0.0629500 0.0629500 0.6898874 0.0556294 0.0556294 0.0629500 0.6898874 4 Cu 0.6898874 -0.0556294 -0.0629500 -0.0629500 0.6898874 0.0556294 -0.0556294 0.0629500 0.6898874 5 H 0.5635965 0.1324392 -0.1542763 0.1678822 0.3539631 -0.1716287 -0.2192869 -0.1967811 0.3805011 6 H 0.5635965 0.1324392 0.1542763 0.1678822 0.3539631 0.1716287 0.2192869 0.1967811 0.3805011 7 H 0.3539631 -0.1716287 0.1678822 -0.1967811 0.3805011 -0.2192869 0.1324392 -0.1542763 0.5635965 8 H 0.3805011 -0.2192869 0.1967811 -0.1542763 0.5635965 -0.1324392 0.1716287 -0.1678822 0.3539631 9 H 0.5635965 -0.1324392 -0.1542763 -0.1678822 0.3539631 0.1716287 -0.2192869 0.1967811 0.3805011 10 H 0.3805011 0.2192869 -0.1967811 0.1542763 0.5635965 -0.1324392 -0.1716287 -0.1678822 0.3539631 11 H 0.3539631 0.1716287 -0.1678822 0.1967811 0.3805011 -0.2192869 -0.1324392 -0.1542763 0.5635965 12 H 0.3539631 0.1716287 0.1678822 0.1967811 0.3805011 0.2192869 0.1324392 0.1542763 0.5635965 13 H 0.3805011 0.2192869 0.1967811 0.1542763 0.5635965 0.1324392 0.1716287 0.1678822 0.3539631 14 H 0.5635965 -0.1324392 0.1542763 -0.1678822 0.3539631 -0.1716287 0.2192869 -0.1967811 0.3805011 15 H 0.3805011 -0.2192869 -0.1967811 -0.1542763 0.5635965 0.1324392 -0.1716287 0.1678822 0.3539631 16 H 0.3539631 -0.1716287 -0.1678822 -0.1967811 0.3805011 0.2192869 -0.1324392 0.1542763 0.5635965 17 N -0.9384248 0.0804097 -0.0405148 0.0405148 -0.9384248 -0.0804097 -0.0804097 -0.0405148 -0.9384248 18 N -0.9384248 -0.0804097 0.0405148 -0.0405148 -0.9384248 -0.0804097 0.0804097 -0.0405148 -0.9384248 19 N -0.9384248 -0.0804097 -0.0405148 -0.0405148 -0.9384248 0.0804097 -0.0804097 0.0405148 -0.9384248 20 N -0.9384248 0.0804097 0.0405148 0.0405148 -0.9384248 0.0804097 0.0804097 0.0405148 -0.9384248 21 Cl -1.0495233 0.0483090 -0.0084939 0.0084939 -1.0495233 0.0483090 -0.0483090 0.0084939 -1.0495233 22 Cl -1.0495233 0.0483090 0.0084939 0.0084939 -1.0495233 -0.0483090 0.0483090 -0.0084939 -1.0495233 23 Cl -1.0495233 -0.0483090 0.0084939 -0.0084939 -1.0495233 0.0483090 0.0483090 0.0084939 -1.0495233 24 Cl -1.0495233 -0.0483090 -0.0084939 -0.0084939 -1.0495233 -0.0483090 -0.0483090 -0.0084939 -1.0495233 ---------------------------------------------------------------------------- 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: 144/144 Permutation basis: 6012/6012 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 456 Number of blocks in projector: 456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (456, 438), data: False |-- (168, 162), data: True |-- (288, 276), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.162 Solver_block: 200 / 240 - Time: 0.171 Solver_block: 240 / 240 - Time: 0.081 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.421 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 144/144 Permutation basis: 6012/6012 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 456 Number of blocks in projector: 456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (456, 438), data: False |-- (168, 162), data: True |-- (288, 276), 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 2026-01-09 04:18:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:18:54]------------------------- 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): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I2_13 (199) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.091461785000000 4.091461785000000 4.091461785000000 b 4.091461785000000 -4.091461785000000 4.091461785000000 c 4.091461785000000 4.091461785000000 -4.091461785000000 Atomic positions (fractional): 1 Cu 0.00000000000000 0.74475202937758 0.50000000000000 63.546 2 Cu 0.50000000000000 0.00000000000000 0.74475202937758 63.546 3 Cu 0.75524797062242 0.75524797062242 0.75524797062242 63.546 4 Cu 0.74475202937758 0.50000000000000 0.00000000000000 63.546 5 H 0.01045089989151 0.48056206540912 0.64926014651828 1.008 6 H 0.33130191889085 0.36119075337324 0.85073985348172 1.008 7 H 0.48056206540912 0.64926014651828 0.01045089989151 1.008 8 H 0.02988883448239 0.16869808110915 0.01943793459088 1.008 9 H 0.16869808110915 0.01943793459088 0.02988883448239 1.008 10 H 0.47011116551761 0.48954910010849 0.13880924662676 1.008 11 H 0.01943793459088 0.02988883448239 0.16869808110915 1.008 12 H 0.36119075337324 0.85073985348172 0.33130191889085 1.008 13 H 0.85073985348172 0.33130191889085 0.36119075337324 1.008 14 H 0.48954910010849 0.13880924662676 0.47011116551761 1.008 15 H 0.64926014651828 0.01045089989151 0.48056206540912 1.008 16 H 0.13880924662676 0.47011116551761 0.48954910010849 1.008 17 N 0.50000000000000 0.00000000000000 0.48079158195537 14.007 18 N 0.00000000000000 0.48079158195537 0.50000000000000 14.007 19 N 0.48079158195537 0.50000000000000 0.00000000000000 14.007 20 N 0.01920841804463 0.01920841804463 0.01920841804463 14.007 21 Cl 0.00000000000000 0.03914823502309 0.50000000000000 35.453 22 Cl 0.03914823502309 0.50000000000000 0.00000000000000 35.453 23 Cl 0.50000000000000 0.00000000000000 0.03914823502309 35.453 24 Cl 0.46085176497691 0.46085176497691 0.46085176497691 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.182923570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.182923570000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.182923570000000 Atomic positions (fractional): 1 Cu 0.12237601468879 0.37762398531121 0.62237601468879 63.546 > 1 2 Cu 0.12237601468879 0.62237601468879 0.87762398531121 63.546 > 2 3 Cu 0.37762398531121 0.37762398531121 0.37762398531121 63.546 > 3 4 Cu 0.87762398531121 0.12237601468879 0.62237601468879 63.546 > 4 5 Cu 0.62237601468879 0.87762398531121 0.12237601468879 63.546 > 1 6 Cu 0.62237601468879 0.12237601468879 0.37762398531121 63.546 > 2 7 Cu 0.87762398531121 0.87762398531121 0.87762398531121 63.546 > 3 8 Cu 0.37762398531121 0.62237601468879 0.12237601468879 63.546 > 4 9 H 0.55968565601794 0.08957449050033 0.92087640939118 1.008 > 9 10 H 0.44031434398205 0.41042550949967 0.92087640939118 1.008 > 10 11 H 0.08957449050033 0.92087640939118 0.55968565601794 1.008 > 11 12 H 0.07912359060882 0.94031434398206 0.08957449050033 1.008 > 12 13 H 0.44031434398205 0.58957449050033 0.57912359060882 1.008 > 13 14 H 0.07912359060882 0.05968565601795 0.41042550949967 1.008 > 14 15 H 0.08957449050033 0.07912359060882 0.94031434398206 1.008 > 15 16 H 0.41042550949967 0.92087640939118 0.44031434398205 1.008 > 16 17 H 0.42087640939118 0.94031434398206 0.91042550949967 1.008 > 17 18 H 0.55968565601794 0.91042550949967 0.57912359060882 1.008 > 18 19 H 0.42087640939118 0.05968565601795 0.58957449050033 1.008 > 19 20 H 0.41042550949967 0.07912359060882 0.05968565601795 1.008 > 20 21 H 0.05968565601795 0.58957449050033 0.42087640939118 1.008 > 9 22 H 0.94031434398206 0.91042550949967 0.42087640939118 1.008 > 10 23 H 0.58957449050033 0.42087640939118 0.05968565601795 1.008 > 11 24 H 0.57912359060882 0.44031434398205 0.58957449050033 1.008 > 12 25 H 0.94031434398206 0.08957449050033 0.07912359060882 1.008 > 13 26 H 0.57912359060882 0.55968565601794 0.91042550949967 1.008 > 14 27 H 0.58957449050033 0.57912359060882 0.44031434398205 1.008 > 15 28 H 0.91042550949967 0.42087640939118 0.94031434398206 1.008 > 16 29 H 0.92087640939118 0.44031434398205 0.41042550949967 1.008 > 17 30 H 0.05968565601795 0.41042550949967 0.07912359060882 1.008 > 18 31 H 0.92087640939118 0.55968565601794 0.08957449050033 1.008 > 19 32 H 0.91042550949967 0.57912359060882 0.55968565601794 1.008 > 20 33 N 0.49039579097769 0.99039579097769 0.50960420902231 14.007 > 33 34 N 0.49039579097769 0.00960420902231 0.99039579097769 14.007 > 34 35 N 0.00960420902231 0.99039579097769 0.49039579097769 14.007 > 35 36 N 0.00960420902231 0.00960420902231 0.00960420902231 14.007 > 36 37 N 0.99039579097769 0.49039579097769 0.00960420902231 14.007 > 33 38 N 0.99039579097769 0.50960420902231 0.49039579097769 14.007 > 34 39 N 0.50960420902231 0.49039579097769 0.99039579097769 14.007 > 35 40 N 0.50960420902231 0.50960420902231 0.50960420902231 14.007 > 36 41 Cl 0.26957411751154 0.23042588248846 0.76957411751154 35.453 > 41 42 Cl 0.23042588248846 0.76957411751154 0.26957411751154 35.453 > 42 43 Cl 0.26957411751154 0.76957411751154 0.73042588248846 35.453 > 43 44 Cl 0.23042588248846 0.23042588248846 0.23042588248846 35.453 > 44 45 Cl 0.76957411751154 0.73042588248846 0.26957411751154 35.453 > 41 46 Cl 0.73042588248846 0.26957411751154 0.76957411751154 35.453 > 42 47 Cl 0.76957411751154 0.26957411751154 0.23042588248846 35.453 > 43 48 Cl 0.73042588248846 0.73042588248846 0.73042588248846 35.453 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6338580 0.0000000 0.0000000 0.0000000 3.6338580 0.0000000 0.0000000 0.0000000 3.6338580 -------------------------- Born effective charges -------------------------- 1 Cu 0.6898874 -0.0556294 0.0629500 -0.0629500 0.6898874 -0.0556294 0.0556294 -0.0629500 0.6898874 2 Cu 0.6898874 0.0556294 -0.0629500 0.0629500 0.6898874 -0.0556294 -0.0556294 -0.0629500 0.6898874 3 Cu 0.6898874 0.0556294 0.0629500 0.0629500 0.6898874 0.0556294 0.0556294 0.0629500 0.6898874 4 Cu 0.6898874 -0.0556294 -0.0629500 -0.0629500 0.6898874 0.0556294 -0.0556294 0.0629500 0.6898874 5 H 0.5635965 0.1324392 -0.1542763 0.1678822 0.3539631 -0.1716287 -0.2192869 -0.1967811 0.3805011 6 H 0.5635965 0.1324392 0.1542763 0.1678822 0.3539631 0.1716287 0.2192869 0.1967811 0.3805011 7 H 0.3539631 -0.1716287 0.1678822 -0.1967811 0.3805011 -0.2192869 0.1324392 -0.1542763 0.5635965 8 H 0.3805011 -0.2192869 0.1967811 -0.1542763 0.5635965 -0.1324392 0.1716287 -0.1678822 0.3539631 9 H 0.5635965 -0.1324392 -0.1542763 -0.1678822 0.3539631 0.1716287 -0.2192869 0.1967811 0.3805011 10 H 0.3805011 0.2192869 -0.1967811 0.1542763 0.5635965 -0.1324392 -0.1716287 -0.1678822 0.3539631 11 H 0.3539631 0.1716287 -0.1678822 0.1967811 0.3805011 -0.2192869 -0.1324392 -0.1542763 0.5635965 12 H 0.3539631 0.1716287 0.1678822 0.1967811 0.3805011 0.2192869 0.1324392 0.1542763 0.5635965 13 H 0.3805011 0.2192869 0.1967811 0.1542763 0.5635965 0.1324392 0.1716287 0.1678822 0.3539631 14 H 0.5635965 -0.1324392 0.1542763 -0.1678822 0.3539631 -0.1716287 0.2192869 -0.1967811 0.3805011 15 H 0.3805011 -0.2192869 -0.1967811 -0.1542763 0.5635965 0.1324392 -0.1716287 0.1678822 0.3539631 16 H 0.3539631 -0.1716287 -0.1678822 -0.1967811 0.3805011 0.2192869 -0.1324392 0.1542763 0.5635965 17 N -0.9384248 0.0804097 -0.0405148 0.0405148 -0.9384248 -0.0804097 -0.0804097 -0.0405148 -0.9384248 18 N -0.9384248 -0.0804097 0.0405148 -0.0405148 -0.9384248 -0.0804097 0.0804097 -0.0405148 -0.9384248 19 N -0.9384248 -0.0804097 -0.0405148 -0.0405148 -0.9384248 0.0804097 -0.0804097 0.0405148 -0.9384248 20 N -0.9384248 0.0804097 0.0405148 0.0405148 -0.9384248 0.0804097 0.0804097 0.0405148 -0.9384248 21 Cl -1.0495233 0.0483090 -0.0084939 0.0084939 -1.0495233 0.0483090 -0.0483090 0.0084939 -1.0495233 22 Cl -1.0495233 0.0483090 0.0084939 0.0084939 -1.0495233 -0.0483090 0.0483090 -0.0084939 -1.0495233 23 Cl -1.0495233 -0.0483090 0.0084939 -0.0084939 -1.0495233 0.0483090 0.0483090 0.0084939 -1.0495233 24 Cl -1.0495233 -0.0483090 -0.0084939 -0.0084939 -1.0495233 -0.0483090 -0.0483090 -0.0084939 -1.0495233 ---------------------------------------------------------------------------- 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] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (zzz) 0.00000007 (zzz) 0.00000007 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:18:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:18:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I2_13 (199) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.091461785000000 4.091461785000000 4.091461785000000 b 4.091461785000000 -4.091461785000000 4.091461785000000 c 4.091461785000000 4.091461785000000 -4.091461785000000 Atomic positions (fractional): 1 Cu 0.00000000000000 0.74475202937758 0.50000000000000 63.546 2 Cu 0.50000000000000 0.00000000000000 0.74475202937758 63.546 3 Cu 0.75524797062242 0.75524797062242 0.75524797062242 63.546 4 Cu 0.74475202937758 0.50000000000000 0.00000000000000 63.546 5 H 0.01045089989151 0.48056206540912 0.64926014651828 1.008 6 H 0.33130191889085 0.36119075337324 0.85073985348172 1.008 7 H 0.48056206540912 0.64926014651828 0.01045089989151 1.008 8 H 0.02988883448239 0.16869808110915 0.01943793459088 1.008 9 H 0.16869808110915 0.01943793459088 0.02988883448239 1.008 10 H 0.47011116551761 0.48954910010849 0.13880924662676 1.008 11 H 0.01943793459088 0.02988883448239 0.16869808110915 1.008 12 H 0.36119075337324 0.85073985348172 0.33130191889085 1.008 13 H 0.85073985348172 0.33130191889085 0.36119075337324 1.008 14 H 0.48954910010849 0.13880924662676 0.47011116551761 1.008 15 H 0.64926014651828 0.01045089989151 0.48056206540912 1.008 16 H 0.13880924662676 0.47011116551761 0.48954910010849 1.008 17 N 0.50000000000000 0.00000000000000 0.48079158195537 14.007 18 N 0.00000000000000 0.48079158195537 0.50000000000000 14.007 19 N 0.48079158195537 0.50000000000000 0.00000000000000 14.007 20 N 0.01920841804463 0.01920841804463 0.01920841804463 14.007 21 Cl 0.00000000000000 0.03914823502309 0.50000000000000 35.453 22 Cl 0.03914823502309 0.50000000000000 0.00000000000000 35.453 23 Cl 0.50000000000000 0.00000000000000 0.03914823502309 35.453 24 Cl 0.46085176497691 0.46085176497691 0.46085176497691 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.182923570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.182923570000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.182923570000000 Atomic positions (fractional): 1 Cu 0.12237601468879 0.37762398531121 0.62237601468879 63.546 > 1 2 Cu 0.12237601468879 0.62237601468879 0.87762398531121 63.546 > 2 3 Cu 0.37762398531121 0.37762398531121 0.37762398531121 63.546 > 3 4 Cu 0.87762398531121 0.12237601468879 0.62237601468879 63.546 > 4 5 Cu 0.62237601468879 0.87762398531121 0.12237601468879 63.546 > 1 6 Cu 0.62237601468879 0.12237601468879 0.37762398531121 63.546 > 2 7 Cu 0.87762398531121 0.87762398531121 0.87762398531121 63.546 > 3 8 Cu 0.37762398531121 0.62237601468879 0.12237601468879 63.546 > 4 9 H 0.55968565601794 0.08957449050033 0.92087640939118 1.008 > 9 10 H 0.44031434398205 0.41042550949967 0.92087640939118 1.008 > 10 11 H 0.08957449050033 0.92087640939118 0.55968565601794 1.008 > 11 12 H 0.07912359060882 0.94031434398206 0.08957449050033 1.008 > 12 13 H 0.44031434398205 0.58957449050033 0.57912359060882 1.008 > 13 14 H 0.07912359060882 0.05968565601795 0.41042550949967 1.008 > 14 15 H 0.08957449050033 0.07912359060882 0.94031434398206 1.008 > 15 16 H 0.41042550949967 0.92087640939118 0.44031434398205 1.008 > 16 17 H 0.42087640939118 0.94031434398206 0.91042550949967 1.008 > 17 18 H 0.55968565601794 0.91042550949967 0.57912359060882 1.008 > 18 19 H 0.42087640939118 0.05968565601795 0.58957449050033 1.008 > 19 20 H 0.41042550949967 0.07912359060882 0.05968565601795 1.008 > 20 21 H 0.05968565601795 0.58957449050033 0.42087640939118 1.008 > 9 22 H 0.94031434398206 0.91042550949967 0.42087640939118 1.008 > 10 23 H 0.58957449050033 0.42087640939118 0.05968565601795 1.008 > 11 24 H 0.57912359060882 0.44031434398205 0.58957449050033 1.008 > 12 25 H 0.94031434398206 0.08957449050033 0.07912359060882 1.008 > 13 26 H 0.57912359060882 0.55968565601794 0.91042550949967 1.008 > 14 27 H 0.58957449050033 0.57912359060882 0.44031434398205 1.008 > 15 28 H 0.91042550949967 0.42087640939118 0.94031434398206 1.008 > 16 29 H 0.92087640939118 0.44031434398205 0.41042550949967 1.008 > 17 30 H 0.05968565601795 0.41042550949967 0.07912359060882 1.008 > 18 31 H 0.92087640939118 0.55968565601794 0.08957449050033 1.008 > 19 32 H 0.91042550949967 0.57912359060882 0.55968565601794 1.008 > 20 33 N 0.49039579097769 0.99039579097769 0.50960420902231 14.007 > 33 34 N 0.49039579097769 0.00960420902231 0.99039579097769 14.007 > 34 35 N 0.00960420902231 0.99039579097769 0.49039579097769 14.007 > 35 36 N 0.00960420902231 0.00960420902231 0.00960420902231 14.007 > 36 37 N 0.99039579097769 0.49039579097769 0.00960420902231 14.007 > 33 38 N 0.99039579097769 0.50960420902231 0.49039579097769 14.007 > 34 39 N 0.50960420902231 0.49039579097769 0.99039579097769 14.007 > 35 40 N 0.50960420902231 0.50960420902231 0.50960420902231 14.007 > 36 41 Cl 0.26957411751154 0.23042588248846 0.76957411751154 35.453 > 41 42 Cl 0.23042588248846 0.76957411751154 0.26957411751154 35.453 > 42 43 Cl 0.26957411751154 0.76957411751154 0.73042588248846 35.453 > 43 44 Cl 0.23042588248846 0.23042588248846 0.23042588248846 35.453 > 44 45 Cl 0.76957411751154 0.73042588248846 0.26957411751154 35.453 > 41 46 Cl 0.73042588248846 0.26957411751154 0.76957411751154 35.453 > 42 47 Cl 0.76957411751154 0.26957411751154 0.23042588248846 35.453 > 43 48 Cl 0.73042588248846 0.73042588248846 0.73042588248846 35.453 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6338580 0.0000000 0.0000000 0.0000000 3.6338580 0.0000000 0.0000000 0.0000000 3.6338580 -------------------------- Born effective charges -------------------------- 1 Cu 0.6898874 -0.0556294 0.0629500 -0.0629500 0.6898874 -0.0556294 0.0556294 -0.0629500 0.6898874 2 Cu 0.6898874 0.0556294 -0.0629500 0.0629500 0.6898874 -0.0556294 -0.0556294 -0.0629500 0.6898874 3 Cu 0.6898874 0.0556294 0.0629500 0.0629500 0.6898874 0.0556294 0.0556294 0.0629500 0.6898874 4 Cu 0.6898874 -0.0556294 -0.0629500 -0.0629500 0.6898874 0.0556294 -0.0556294 0.0629500 0.6898874 5 H 0.5635965 0.1324392 -0.1542763 0.1678822 0.3539631 -0.1716287 -0.2192869 -0.1967811 0.3805011 6 H 0.5635965 0.1324392 0.1542763 0.1678822 0.3539631 0.1716287 0.2192869 0.1967811 0.3805011 7 H 0.3539631 -0.1716287 0.1678822 -0.1967811 0.3805011 -0.2192869 0.1324392 -0.1542763 0.5635965 8 H 0.3805011 -0.2192869 0.1967811 -0.1542763 0.5635965 -0.1324392 0.1716287 -0.1678822 0.3539631 9 H 0.5635965 -0.1324392 -0.1542763 -0.1678822 0.3539631 0.1716287 -0.2192869 0.1967811 0.3805011 10 H 0.3805011 0.2192869 -0.1967811 0.1542763 0.5635965 -0.1324392 -0.1716287 -0.1678822 0.3539631 11 H 0.3539631 0.1716287 -0.1678822 0.1967811 0.3805011 -0.2192869 -0.1324392 -0.1542763 0.5635965 12 H 0.3539631 0.1716287 0.1678822 0.1967811 0.3805011 0.2192869 0.1324392 0.1542763 0.5635965 13 H 0.3805011 0.2192869 0.1967811 0.1542763 0.5635965 0.1324392 0.1716287 0.1678822 0.3539631 14 H 0.5635965 -0.1324392 0.1542763 -0.1678822 0.3539631 -0.1716287 0.2192869 -0.1967811 0.3805011 15 H 0.3805011 -0.2192869 -0.1967811 -0.1542763 0.5635965 0.1324392 -0.1716287 0.1678822 0.3539631 16 H 0.3539631 -0.1716287 -0.1678822 -0.1967811 0.3805011 0.2192869 -0.1324392 0.1542763 0.5635965 17 N -0.9384248 0.0804097 -0.0405148 0.0405148 -0.9384248 -0.0804097 -0.0804097 -0.0405148 -0.9384248 18 N -0.9384248 -0.0804097 0.0405148 -0.0405148 -0.9384248 -0.0804097 0.0804097 -0.0405148 -0.9384248 19 N -0.9384248 -0.0804097 -0.0405148 -0.0405148 -0.9384248 0.0804097 -0.0804097 0.0405148 -0.9384248 20 N -0.9384248 0.0804097 0.0405148 0.0405148 -0.9384248 0.0804097 0.0804097 0.0405148 -0.9384248 21 Cl -1.0495233 0.0483090 -0.0084939 0.0084939 -1.0495233 0.0483090 -0.0483090 0.0084939 -1.0495233 22 Cl -1.0495233 0.0483090 0.0084939 0.0084939 -1.0495233 -0.0483090 0.0483090 -0.0084939 -1.0495233 23 Cl -1.0495233 -0.0483090 0.0084939 -0.0084939 -1.0495233 0.0483090 0.0483090 0.0084939 -1.0495233 24 Cl -1.0495233 -0.0483090 -0.0084939 -0.0084939 -1.0495233 -0.0483090 -0.0483090 -0.0084939 -1.0495233 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (zzz) 0.00000007 (zzz) 0.00000007 (zzz) 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 ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 321, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 0.000) 0.000 1.867 ( 0.000 0.000 -0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 1.957 ( -0.000 0.000 0.000) 0.000 1.957 ( -0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 -0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 -0.000 -0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 -0.000 -0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 -0.000) 0.000 4.951 ( 0.000 0.000 -0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.255 ( -0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 -0.000) 0.000 10.199 ( -0.000 0.000 0.000) 0.000 10.254 ( 0.000 0.000 0.000) 0.000 10.254 ( -0.000 0.000 0.000) 0.000 10.254 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 16.729 ( 0.000 0.000 0.000) 0.000 16.729 ( -0.000 -0.000 0.000) 0.000 16.729 ( 0.000 0.000 0.000) 0.000 16.744 ( 0.000 0.000 0.000) 0.000 21.696 ( 0.000 0.000 0.000) 0.000 21.696 ( 0.000 0.000 0.000) 0.000 21.696 ( 0.000 0.000 0.000) 0.000 22.165 ( 0.000 0.000 0.000) 0.000 22.165 ( 0.000 0.000 0.000) 0.000 22.165 ( 0.000 0.000 0.000) 0.000 22.324 ( 0.000 0.000 0.000) 0.000 22.324 ( 0.000 0.000 0.000) 0.000 36.936 ( 0.000 0.000 0.000) 0.000 36.969 ( 0.000 0.000 0.000) 0.000 36.969 ( 0.000 0.000 0.000) 0.000 36.969 ( 0.000 0.000 0.000) 0.000 46.628 ( 0.000 0.000 -0.000) 0.000 46.628 ( -0.000 0.000 0.000) 0.000 46.628 ( 0.000 0.000 0.000) 0.000 47.498 ( 0.000 0.000 0.000) 0.000 47.498 ( 0.000 0.000 0.000) 0.000 47.498 ( 0.000 0.000 0.000) 0.000 47.874 ( 0.000 0.000 0.000) 0.000 47.874 ( 0.000 0.000 0.000) 0.000 95.647 ( 0.000 0.000 -0.000) 0.000 95.647 ( 0.000 0.000 0.000) 0.000 95.647 ( 0.000 0.000 0.000) 0.000 95.740 ( 0.000 0.000 -0.000) 0.000 98.081 ( 0.000 0.000 0.000) 0.000 98.081 ( 0.000 0.000 0.000) 0.000 98.092 ( 0.000 0.000 0.000) 0.000 98.092 ( 0.000 0.000 0.000) 0.000 98.092 ( 0.000 0.000 0.000) 0.000 98.519 ( -0.000 0.000 0.000) 0.000 98.519 ( 0.000 0.000 0.000) 0.000 98.519 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( -0.000 10.351 10.923) 15.049 0.422 ( -0.000 14.586 13.931) 20.169 0.690 ( -0.000 23.365 23.516) 33.151 1.476 ( -0.000 1.960 1.620) 2.542 1.479 ( -0.000 1.926 2.263) 2.971 1.808 ( 0.000 -1.750 -0.768) 1.911 1.850 ( 0.000 0.599 -0.895) 1.077 1.909 ( -0.000 -0.403 0.331) 0.522 1.922 ( -0.000 1.453 1.223) 1.899 1.984 ( -0.000 6.649 5.944) 8.919 1.998 ( -0.000 1.112 1.754) 2.077 2.033 ( -0.000 7.784 7.825) 11.037 2.400 ( 0.000 -6.390 -6.194) 8.900 2.542 ( 0.000 0.404 -2.006) 2.046 2.586 ( -0.000 -1.933 1.419) 2.398 2.740 ( -0.000 6.251 3.823) 7.327 2.799 ( -0.000 5.473 6.815) 8.740 3.194 ( 0.000 -2.092 -1.012) 2.324 3.324 ( -0.000 3.908 2.310) 4.539 3.625 ( 0.000 -3.046 -2.501) 3.942 4.932 ( 0.000 0.104 -0.164) 0.195 4.998 ( -0.000 1.865 1.990) 2.727 5.191 ( -0.000 -1.545 1.445) 2.116 5.203 ( 0.000 -0.272 -3.238) 3.249 5.295 ( -0.000 1.233 1.395) 1.862 5.353 ( -0.000 0.627 0.529) 0.820 5.469 ( 0.000 0.464 -0.623) 0.777 5.480 ( -0.000 0.137 1.243) 1.251 10.190 ( 0.000 -0.662 -0.666) 0.939 10.253 ( -0.000 -0.146 0.076) 0.165 10.258 ( -0.000 0.363 0.035) 0.365 10.264 ( -0.000 0.178 0.289) 0.339 10.967 ( 0.000 -2.063 -1.801) 2.739 11.004 ( -0.000 0.558 0.137) 0.574 11.068 ( 0.000 -3.502 -3.352) 4.848 11.208 ( 0.000 -1.605 -1.598) 2.265 16.727 ( -0.000 0.020 0.036) 0.041 16.736 ( -0.000 0.310 0.311) 0.439 16.741 ( -0.000 0.853 0.830) 1.190 16.753 ( -0.000 0.751 0.758) 1.067 21.635 ( 0.000 -2.016 -2.046) 2.873 21.756 ( -0.000 2.040 1.993) 2.852 22.037 ( 0.000 -0.346 -0.012) 0.346 22.123 ( 0.000 -1.921 -2.911) 3.488 22.148 ( 0.000 -1.823 -0.220) 1.836 22.170 ( 0.000 0.462 -0.497) 0.679 22.333 ( -0.000 0.234 0.864) 0.896 22.351 ( -0.000 1.916 1.377) 2.359 36.925 ( 0.000 -0.770 -0.772) 1.090 36.958 ( 0.000 -0.700 -0.883) 1.127 36.959 ( 0.000 -0.792 -0.611) 1.000 37.162 ( 0.000 -0.139 -0.135) 0.194 46.622 ( 0.000 -0.127 -0.138) 0.188 46.637 ( -0.000 0.314 0.354) 0.473 46.643 ( -0.000 0.950 0.921) 1.323 47.393 ( 0.000 -4.242 -4.234) 5.993 47.509 ( 0.000 -0.378 -0.398) 0.549 47.580 ( -0.000 2.598 2.610) 3.683 47.863 ( 0.000 -0.784 -0.801) 1.121 47.866 ( 0.000 -0.568 -0.552) 0.792 95.622 ( 0.000 -0.507 -0.516) 0.724 95.688 ( -0.000 0.862 1.014) 1.331 95.696 ( -0.000 0.777 0.634) 1.003 95.744 ( -0.000 0.232 0.232) 0.328 98.071 ( 0.000 -0.419 -0.530) 0.676 98.081 ( 0.000 -0.115 -0.023) 0.118 98.089 ( -0.000 0.053 0.066) 0.084 98.103 ( -0.000 0.443 0.447) 0.630 98.324 ( -0.000 0.580 0.550) 0.800 98.472 ( 0.000 -1.787 -1.552) 2.367 98.560 ( -0.000 1.331 1.068) 1.706 98.819 ( 0.000 -0.471 -0.413) 0.626 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -0.000 9.848 10.439) 14.351 0.773 ( -0.000 12.131 11.231) 16.532 1.229 ( -0.000 15.561 15.793) 22.171 1.514 ( -0.000 0.586 -0.153) 0.606 1.547 ( -0.000 2.177 3.048) 3.746 1.762 ( 0.000 -1.822 -0.992) 2.075 1.845 ( 0.000 0.636 -1.458) 1.591 1.903 ( 0.000 -0.312 -0.646) 0.717 1.928 ( 0.000 -0.266 -0.853) 0.893 1.993 ( 0.000 -1.748 0.590) 1.844 2.230 ( -0.000 1.264 1.931) 2.308 2.241 ( -0.000 9.851 8.513) 13.020 2.375 ( -0.000 6.940 8.161) 10.713 2.588 ( -0.000 -0.581 7.093) 7.117 2.598 ( -0.000 8.518 -0.875) 8.562 2.871 ( -0.000 4.062 3.779) 5.548 2.940 ( -0.000 3.175 6.304) 7.058 3.172 ( -0.000 -0.391 0.271) 0.475 3.409 ( -0.000 7.452 -2.692) 7.923 3.523 ( 0.000 -7.793 -0.062) 7.793 4.950 ( -0.000 1.608 0.970) 1.878 5.041 ( -0.000 0.985 0.608) 1.157 5.140 ( 0.000 -2.536 -0.707) 2.633 5.219 ( -0.000 1.700 0.916) 1.931 5.319 ( -0.000 0.015 0.556) 0.556 5.377 ( -0.000 1.571 0.658) 1.703 5.461 ( 0.000 0.180 -1.164) 1.178 5.502 ( -0.000 0.148 1.694) 1.700 10.165 ( 0.000 -1.086 -1.138) 1.573 10.253 ( -0.000 -0.125 0.221) 0.254 10.265 ( -0.000 0.582 0.037) 0.584 10.271 ( -0.000 0.123 0.397) 0.416 10.879 ( 0.000 -4.572 -4.817) 6.641 10.954 ( 0.000 -4.636 -4.037) 6.147 11.017 ( -0.000 0.801 0.279) 0.848 11.159 ( 0.000 -1.802 -1.657) 2.448 16.729 ( -0.000 0.082 0.087) 0.120 16.744 ( -0.000 0.229 0.252) 0.340 16.771 ( -0.000 1.285 1.254) 1.796 16.782 ( -0.000 1.304 1.306) 1.846 21.590 ( 0.000 -1.073 -1.267) 1.660 21.800 ( -0.000 1.165 0.982) 1.524 22.026 ( 0.000 -2.164 0.589) 2.243 22.047 ( 0.000 -1.507 -4.145) 4.411 22.124 ( 0.000 -1.477 0.295) 1.507 22.169 ( 0.000 0.807 -0.897) 1.207 22.347 ( -0.000 0.065 0.737) 0.740 22.399 ( -0.000 1.966 1.488) 2.466 36.898 ( 0.000 -1.059 -1.103) 1.529 36.929 ( 0.000 -1.201 -1.310) 1.777 36.934 ( 0.000 -1.147 -1.017) 1.533 37.156 ( 0.000 -0.275 -0.254) 0.374 46.621 ( -0.000 0.146 0.086) 0.169 46.645 ( -0.000 0.182 0.281) 0.335 46.681 ( -0.000 1.828 1.789) 2.558 47.271 ( 0.000 -4.670 -4.652) 6.591 47.495 ( 0.000 -0.563 -0.611) 0.831 47.641 ( -0.000 1.836 1.885) 2.631 47.834 ( 0.000 -1.175 -1.309) 1.759 47.845 ( 0.000 -1.014 -0.899) 1.355 95.619 ( -0.000 0.233 0.220) 0.321 95.686 ( 0.000 -0.226 -0.143) 0.267 95.746 ( -0.000 1.987 1.926) 2.767 95.749 ( -0.000 0.075 0.068) 0.101 98.059 ( 0.000 -0.279 -0.492) 0.566 98.075 ( 0.000 -0.386 -0.238) 0.453 98.092 ( 0.000 0.006 -0.022) 0.022 98.115 ( -0.000 0.445 0.520) 0.684 98.347 ( -0.000 1.164 0.877) 1.457 98.435 ( 0.000 -1.464 -0.458) 1.534 98.581 ( -0.000 0.815 -0.253) 0.854 98.803 ( 0.000 -0.875 -0.508) 1.012 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -0.000 9.183 9.663) 13.330 1.063 ( -0.000 10.204 9.324) 13.822 1.433 ( 0.000 -3.630 -2.924) 4.661 1.549 ( -0.000 4.017 4.159) 5.782 1.621 ( -0.000 2.991 3.855) 4.879 1.740 ( 0.000 -0.366 -2.865) 2.888 1.778 ( 0.000 -1.891 -2.916) 3.476 1.887 ( 0.000 0.513 -0.593) 0.784 1.944 ( -0.000 1.319 1.594) 2.069 1.993 ( -0.000 -1.071 1.443) 1.797 2.253 ( -0.000 1.782 1.995) 2.675 2.454 ( -0.000 3.198 8.425) 9.011 2.500 ( -0.000 3.503 -0.500) 3.538 2.727 ( -0.000 6.741 7.409) 10.016 2.799 ( -0.000 8.542 3.529) 9.243 2.948 ( -0.000 -1.301 5.557) 5.707 3.083 ( -0.000 4.524 6.126) 7.616 3.182 ( -0.000 1.870 -0.153) 1.876 3.354 ( 0.000 1.154 -8.409) 8.488 3.531 ( -0.000 -0.670 5.994) 6.031 4.981 ( -0.000 -0.159 0.287) 0.328 5.039 ( -0.000 1.302 -0.491) 1.391 5.136 ( -0.000 0.415 1.570) 1.624 5.258 ( -0.000 1.148 1.566) 1.941 5.307 ( 0.000 -1.559 -0.597) 1.669 5.405 ( -0.000 2.039 -0.524) 2.105 5.444 ( 0.000 -0.789 -0.622) 1.004 5.528 ( -0.000 0.389 1.454) 1.505 10.132 ( 0.000 -1.186 -1.312) 1.769 10.257 ( -0.000 0.067 0.364) 0.370 10.272 ( -0.000 0.172 0.146) 0.225 10.278 ( -0.000 0.270 0.234) 0.358 10.734 ( 0.000 -4.844 -5.620) 7.420 10.849 ( 0.000 -3.779 -2.725) 4.659 11.033 ( -0.000 1.033 0.204) 1.054 11.120 ( 0.000 -1.388 -0.948) 1.680 16.731 ( -0.000 0.084 0.086) 0.120 16.750 ( -0.000 0.181 0.196) 0.267 16.804 ( -0.000 1.090 1.094) 1.544 16.817 ( -0.000 1.135 1.113) 1.590 21.573 ( 0.000 0.070 -0.330) 0.337 21.810 ( 0.000 -0.440 -0.194) 0.481 21.966 ( 0.000 -1.555 -3.139) 3.503 22.015 ( -0.000 -1.716 0.817) 1.900 22.115 ( 0.000 -0.202 -0.087) 0.220 22.170 ( 0.000 0.600 -0.350) 0.695 22.354 ( -0.000 -0.014 0.239) 0.240 22.440 ( -0.000 1.313 1.101) 1.713 36.871 ( 0.000 -0.723 -0.870) 1.131 36.894 ( 0.000 -1.284 -1.150) 1.724 36.905 ( 0.000 -0.946 -0.968) 1.354 37.149 ( 0.000 -0.288 -0.258) 0.387 46.627 ( -0.000 0.368 0.234) 0.436 46.649 ( -0.000 -0.037 0.128) 0.133 46.739 ( -0.000 2.441 2.410) 3.430 47.146 ( 0.000 -4.410 -4.392) 6.225 47.480 ( 0.000 -0.473 -0.540) 0.718 47.683 ( -0.000 1.212 1.365) 1.825 47.801 ( 0.000 -0.869 -1.331) 1.589 47.817 ( 0.000 -1.248 -0.890) 1.533 95.631 ( -0.000 0.620 0.622) 0.878 95.682 ( 0.000 -0.101 -0.056) 0.115 95.747 ( 0.000 -0.236 -0.238) 0.335 95.794 ( -0.000 1.516 1.473) 2.114 98.051 ( 0.000 -0.125 -0.346) 0.368 98.067 ( 0.000 -0.331 -0.201) 0.387 98.087 ( 0.000 -0.280 -0.295) 0.407 98.128 ( -0.000 0.397 0.453) 0.602 98.374 ( -0.000 1.316 0.217) 1.334 98.425 ( -0.000 -0.844 1.634) 1.839 98.575 ( 0.000 0.324 -1.696) 1.727 98.784 ( 0.000 -0.941 -0.252) 0.974 ======================= Grid point 4 (5/45) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -0.000 8.243 8.467) 11.817 1.283 ( 0.000 -5.638 -5.930) 8.183 1.301 ( -0.000 6.236 6.129) 8.743 1.543 ( 0.000 -5.008 -3.743) 6.252 1.624 ( 0.000 -0.378 -1.432) 1.481 1.705 ( -0.000 0.124 0.519) 0.534 1.832 ( -0.000 4.913 1.017) 5.018 1.887 ( -0.000 -1.604 1.199) 2.003 1.973 ( -0.000 1.760 -0.752) 1.914 1.989 ( -0.000 -1.707 0.813) 1.891 2.309 ( -0.000 0.662 2.224) 2.320 2.511 ( 0.000 3.009 -2.624) 3.992 2.615 ( -0.000 1.454 9.330) 9.442 2.828 ( 0.000 -0.077 -4.912) 4.913 2.875 ( -0.000 1.536 4.859) 5.096 2.967 ( 0.000 -0.551 -1.591) 1.684 3.128 ( 0.000 0.329 -0.427) 0.539 3.278 ( -0.000 2.092 5.683) 6.056 3.325 ( 0.000 2.881 -2.169) 3.606 3.587 ( -0.000 0.325 1.968) 1.994 4.960 ( 0.000 -0.884 -0.576) 1.055 5.074 ( -0.000 1.471 0.724) 1.640 5.171 ( -0.000 1.495 1.119) 1.868 5.263 ( 0.000 -2.304 -0.454) 2.348 5.288 ( -0.000 0.507 0.178) 0.537 5.414 ( 0.000 1.383 -1.432) 1.990 5.432 ( -0.000 -0.959 0.783) 1.238 5.547 ( -0.000 0.245 0.569) 0.619 10.104 ( 0.000 -0.574 -0.653) 0.869 10.264 ( -0.000 0.177 0.256) 0.311 10.273 ( -0.000 -0.145 0.077) 0.164 10.283 ( -0.000 0.181 0.073) 0.195 10.627 ( 0.000 -2.031 -2.459) 3.189 10.787 ( 0.000 -1.422 -0.964) 1.718 11.048 ( -0.000 0.675 0.122) 0.686 11.096 ( 0.000 -0.750 -0.342) 0.824 16.733 ( -0.000 0.035 0.036) 0.050 16.753 ( -0.000 0.070 0.076) 0.103 16.826 ( -0.000 0.420 0.429) 0.600 16.839 ( -0.000 0.443 0.428) 0.616 21.577 ( -0.000 0.385 0.109) 0.400 21.791 ( 0.000 -0.914 -0.450) 1.019 21.924 ( 0.000 -0.195 -1.252) 1.267 22.008 ( -0.000 -0.765 0.563) 0.950 22.113 ( 0.000 0.072 -0.166) 0.181 22.174 ( -0.000 0.205 0.026) 0.206 22.355 ( 0.000 -0.006 -0.001) 0.006 22.462 ( -0.000 0.452 0.406) 0.608 36.859 ( 0.000 0.032 -0.217) 0.219 36.867 ( 0.000 -0.827 -0.561) 0.999 36.886 ( 0.000 -0.363 -0.396) 0.537 37.143 ( 0.000 -0.124 -0.109) 0.165 46.636 ( -0.000 0.312 0.174) 0.357 46.648 ( 0.000 -0.170 -0.019) 0.171 46.802 ( -0.000 1.713 1.700) 2.414 47.047 ( 0.000 -2.423 -2.414) 3.421 47.470 ( 0.000 -0.180 -0.214) 0.280 47.710 ( -0.000 0.491 0.679) 0.838 47.780 ( 0.000 0.047 -0.723) 0.724 47.792 ( 0.000 -0.983 -0.374) 1.051 95.647 ( -0.000 0.369 0.383) 0.531 95.681 ( 0.000 -0.010 -0.009) 0.013 95.739 ( 0.000 -0.219 -0.217) 0.308 95.823 ( -0.000 0.564 0.549) 0.787 98.046 ( 0.000 -0.031 -0.126) 0.130 98.062 ( 0.000 -0.123 -0.074) 0.144 98.080 ( 0.000 -0.169 -0.167) 0.238 98.136 ( -0.000 0.154 0.168) 0.228 98.384 ( -0.000 0.423 -0.164) 0.454 98.449 ( -0.000 -0.019 1.811) 1.811 98.551 ( 0.000 -0.004 -1.599) 1.599 98.773 ( 0.000 -0.417 -0.035) 0.419 ======================= Grid point 10 (6/45) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 3.536 4.206 15.493) 16.438 0.658 ( 4.956 4.136 17.717) 18.856 1.105 ( 11.639 11.754 19.844) 25.834 1.515 ( 1.198 0.439 2.668) 2.957 1.525 ( 0.391 1.180 3.123) 3.361 1.782 ( -2.332 -1.586 -1.740) 3.314 1.847 ( -0.634 -1.833 1.512) 2.459 1.921 ( 0.455 0.346 -0.433) 0.717 1.979 ( -1.507 -2.031 0.713) 2.627 1.986 ( -1.399 -0.545 4.024) 4.295 2.035 ( 1.311 1.612 7.833) 8.104 2.292 ( 10.384 8.739 6.322) 14.972 2.335 ( 2.120 4.341 0.003) 4.831 2.479 ( -0.254 -0.942 0.526) 1.108 2.672 ( 1.811 1.877 3.040) 4.005 2.785 ( -0.611 -1.043 7.679) 7.773 2.943 ( 4.580 5.566 5.585) 9.118 3.188 ( 3.482 4.612 -4.380) 7.251 3.349 ( 4.183 0.864 -1.332) 4.475 3.574 ( -7.715 -6.025 2.489) 10.100 4.940 ( 0.498 0.170 1.255) 1.361 5.040 ( 1.331 1.204 2.140) 2.793 5.140 ( -1.655 -0.735 -3.133) 3.618 5.224 ( 1.683 1.177 0.749) 2.186 5.315 ( -0.382 -0.088 1.554) 1.603 5.365 ( 1.258 0.863 0.288) 1.553 5.461 ( 0.233 -0.412 -0.719) 0.860 5.499 ( -0.795 -0.076 1.946) 2.103 10.173 ( -0.671 -0.690 -0.990) 1.381 10.253 ( 0.231 0.441 -0.415) 0.648 10.261 ( 0.273 -0.003 0.226) 0.354 10.270 ( -0.069 0.023 0.597) 0.601 10.926 ( -1.548 -1.537 -5.901) 6.291 10.962 ( -0.933 -0.924 -3.220) 3.478 11.021 ( -2.123 -2.198 0.454) 3.089 11.173 ( -0.667 -0.619 -2.867) 3.008 16.730 ( -0.022 -0.018 0.314) 0.315 16.746 ( 0.125 0.188 0.770) 0.802 16.751 ( 0.193 0.126 0.945) 0.973 16.777 ( 1.197 1.198 1.305) 2.138 21.599 ( -0.744 -0.823 -1.763) 2.083 21.792 ( 0.878 0.783 1.624) 2.005 22.028 ( -0.102 0.792 -1.681) 1.861 22.074 ( -1.258 -2.433 -2.455) 3.678 22.124 ( -0.722 0.501 -1.682) 1.897 22.170 ( -0.748 -1.626 1.109) 2.106 22.347 ( 0.688 1.152 0.176) 1.353 22.384 ( 0.848 0.494 2.149) 2.362 36.906 ( -0.603 -0.619 -1.239) 1.510 36.931 ( -0.202 -0.218 -2.259) 2.278 36.950 ( -0.774 -0.753 -0.417) 1.158 37.157 ( -0.129 -0.120 -0.451) 0.485 46.620 ( 0.114 0.091 -0.088) 0.170 46.644 ( 0.177 0.224 0.348) 0.450 46.668 ( 0.869 0.846 1.876) 2.234 47.305 ( -2.947 -2.938 -4.954) 6.470 47.499 ( 0.270 0.247 -1.288) 1.339 47.626 ( 0.958 0.977 2.529) 2.875 47.842 ( -0.617 -0.657 -1.543) 1.787 47.853 ( -0.559 -0.525 -0.811) 1.116 95.617 ( -0.021 -0.029 0.088) 0.095 95.689 ( 0.062 0.118 -0.350) 0.375 95.730 ( 0.897 0.851 2.499) 2.788 95.748 ( 0.056 0.055 0.186) 0.202 98.066 ( -0.426 -0.664 -0.095) 0.794 98.073 ( -0.672 -0.464 0.073) 0.820 98.092 ( 0.059 0.048 0.007) 0.076 98.112 ( 0.466 0.500 0.303) 0.748 98.340 ( 0.605 0.505 1.055) 1.317 98.441 ( -0.053 0.361 -2.355) 2.383 98.580 ( 0.741 0.281 0.749) 1.091 98.806 ( -0.992 -0.840 -0.407) 1.362 ======================= Grid point 11 (7/45) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 4.697 3.036 14.496) 15.537 0.956 ( 2.097 6.933 13.641) 15.445 1.461 ( 4.759 6.252 10.693) 13.270 1.531 ( 1.750 -1.254 1.494) 2.621 1.585 ( -1.366 0.692 3.484) 3.806 1.734 ( -2.464 -2.240 -1.002) 3.478 1.820 ( -0.252 -4.148 -1.438) 4.397 1.904 ( 1.824 0.355 -1.255) 2.242 1.954 ( -2.412 -1.714 1.791) 3.459 2.002 ( 0.496 -2.056 3.400) 4.004 2.212 ( -1.095 2.489 5.675) 6.293 2.398 ( 1.706 9.065 8.050) 12.243 2.465 ( 4.236 5.015 -1.550) 6.746 2.593 ( -2.759 2.955 7.830) 8.812 2.726 ( 1.401 2.666 4.113) 5.097 2.955 ( 2.001 4.905 9.616) 10.979 3.070 ( 3.821 3.106 4.818) 6.889 3.176 ( 4.384 1.993 -3.951) 6.229 3.314 ( -0.447 1.578 -5.826) 6.053 3.553 ( -4.659 -5.112 5.967) 9.135 4.975 ( 0.786 1.387 2.137) 2.666 5.046 ( 0.852 -1.068 -1.673) 2.160 5.125 ( -0.807 0.983 1.294) 1.814 5.254 ( 1.817 1.183 1.080) 2.422 5.326 ( -0.498 -0.787 0.628) 1.123 5.381 ( 0.830 1.360 -0.498) 1.669 5.446 ( -0.593 -0.514 -0.372) 0.869 5.520 ( -0.999 -0.269 1.561) 1.873 10.147 ( -0.351 -1.082 -1.065) 1.558 10.253 ( 0.114 0.518 -0.474) 0.712 10.266 ( -0.045 0.243 0.164) 0.297 10.277 ( -0.102 -0.117 0.516) 0.539 10.789 ( -1.832 -4.484 -5.774) 7.536 10.904 ( 0.920 -2.091 -3.601) 4.264 11.008 ( -1.149 0.600 -0.726) 1.486 11.125 ( -0.742 -0.539 -2.530) 2.691 16.734 ( 0.118 -0.114 0.345) 0.382 16.754 ( 0.573 -0.378 0.796) 1.051 16.778 ( -0.927 1.166 1.303) 1.979 16.811 ( 1.017 1.086 1.175) 1.896 21.574 ( 0.021 -0.178 -0.741) 0.763 21.809 ( 0.003 0.164 -0.240) 0.291 21.989 ( 0.248 -1.028 -3.881) 4.022 22.033 ( -0.486 -0.995 0.389) 1.174 22.112 ( -0.907 -0.159 -0.408) 1.007 22.165 ( -0.601 -0.961 0.915) 1.457 22.359 ( 0.623 0.246 0.207) 0.701 22.420 ( 0.408 1.486 1.000) 1.837 36.878 ( -0.325 -0.623 -1.431) 1.594 36.896 ( -0.123 -0.055 -2.374) 2.377 36.930 ( 0.056 -1.269 -0.391) 1.329 37.147 ( -0.356 -0.104 -0.666) 0.762 46.623 ( 0.183 0.374 0.036) 0.417 46.650 ( 0.150 0.080 0.191) 0.256 46.716 ( 0.829 1.712 2.593) 3.216 47.191 ( -2.000 -3.875 -4.741) 6.442 47.483 ( 0.563 0.460 -1.641) 1.795 47.669 ( 0.103 0.809 1.847) 2.019 47.808 ( -0.586 -0.893 -1.618) 1.939 47.832 ( -0.183 -0.799 -0.980) 1.278 95.625 ( 0.113 0.354 0.700) 0.793 95.686 ( 0.367 0.072 -0.220) 0.434 95.748 ( -0.146 -0.194 -0.112) 0.267 95.776 ( 0.073 0.924 2.308) 2.487 98.054 ( -0.311 -0.785 -0.019) 0.845 98.067 ( -0.780 -0.490 -0.032) 0.922 98.091 ( 0.114 -0.099 -0.047) 0.158 98.123 ( 0.252 0.521 0.282) 0.644 98.362 ( 0.794 0.991 0.526) 1.375 98.428 ( 0.591 1.251 -0.936) 1.671 98.582 ( 0.698 -0.609 -0.126) 0.935 98.787 ( -1.411 -1.060 -0.390) 1.808 ======================= Grid point 12 (8/45) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 3.810 3.601 12.760) 13.795 1.209 ( 0.988 6.382 10.201) 12.074 1.422 ( 3.233 -8.438 -1.662) 9.188 1.584 ( -1.755 -2.850 -0.017) 3.347 1.659 ( 0.880 -1.091 -1.129) 1.800 1.690 ( -1.098 -0.290 2.070) 2.361 1.770 ( -1.299 0.267 2.477) 2.810 1.903 ( 0.110 -0.821 0.405) 0.922 1.960 ( -0.939 0.403 0.099) 1.027 2.039 ( 2.719 -1.331 4.461) 5.391 2.301 ( 2.110 1.926 4.396) 5.242 2.472 ( 2.605 2.103 -3.123) 4.579 2.623 ( 2.462 1.800 10.087) 10.538 2.743 ( -4.995 6.948 2.718) 8.978 2.821 ( -3.089 3.697 2.210) 5.300 3.034 ( 3.488 -4.093 0.445) 5.396 3.139 ( 3.050 0.204 -0.470) 3.092 3.208 ( -1.607 4.439 4.269) 6.365 3.289 ( -0.178 2.740 -0.700) 2.834 3.580 ( -3.325 -2.457 4.407) 6.043 4.989 ( 1.080 -1.527 -0.621) 1.971 5.049 ( 0.842 2.300 1.700) 2.981 5.163 ( 1.210 1.424 1.367) 2.316 5.271 ( -0.418 -0.216 -0.177) 0.502 5.310 ( 0.529 -1.996 0.459) 2.115 5.388 ( 0.247 1.711 -1.137) 2.069 5.439 ( -0.967 -0.786 0.563) 1.367 5.534 ( -1.461 -0.033 0.743) 1.639 10.120 ( 0.438 -0.917 -0.671) 1.218 10.255 ( -0.258 0.711 -0.507) 0.910 10.269 ( -0.409 0.120 -0.035) 0.428 10.281 ( -0.288 -0.212 0.362) 0.509 10.674 ( 1.054 -2.829 -3.371) 4.525 10.822 ( 1.320 -2.501 -2.805) 3.983 11.014 ( -1.973 2.347 -1.659) 3.486 11.093 ( -0.862 -0.264 -1.376) 1.645 16.737 ( 0.155 -0.184 0.328) 0.407 16.759 ( 0.539 -0.457 0.711) 1.003 16.810 ( -0.843 0.958 1.052) 1.654 16.834 ( 0.341 0.461 0.582) 0.817 21.574 ( 0.521 0.532 0.235) 0.781 21.790 ( -1.231 -0.462 -1.910) 2.319 21.935 ( 1.335 -0.077 -2.351) 2.705 22.028 ( -0.107 -1.475 0.938) 1.751 22.109 ( -0.786 -0.288 0.323) 0.898 22.169 ( -0.679 -0.331 0.774) 1.082 22.361 ( 0.822 0.014 -0.050) 0.823 22.447 ( -0.163 1.380 0.018) 1.390 36.854 ( -0.028 0.349 -1.654) 1.691 36.869 ( -0.148 -0.155 -1.312) 1.329 36.909 ( 0.887 -1.079 -0.100) 1.400 37.138 ( -0.617 0.087 -0.648) 0.899 46.630 ( 0.198 0.542 0.079) 0.582 46.651 ( 0.125 -0.094 -0.047) 0.163 46.780 ( 0.765 2.015 2.685) 3.443 47.081 ( -1.273 -3.483 -3.638) 5.195 47.470 ( 0.726 0.868 -1.612) 1.969 47.697 ( -0.833 0.226 1.190) 1.470 47.781 ( -0.122 -0.259 -0.987) 1.028 47.807 ( 0.178 -0.834 -0.862) 1.212 95.642 ( 0.137 0.386 0.848) 0.942 95.685 ( 0.561 0.111 -0.125) 0.586 95.741 ( -0.335 -0.384 -0.307) 0.595 95.812 ( -0.486 0.320 1.619) 1.721 98.046 ( -0.576 -0.614 0.161) 0.857 98.060 ( -0.707 -0.406 0.009) 0.815 98.088 ( 0.543 -0.188 -0.104) 0.584 98.132 ( 0.045 0.398 0.136) 0.423 98.377 ( 1.149 1.566 -0.873) 2.130 98.447 ( 0.843 1.542 0.284) 1.781 98.565 ( 0.545 -1.553 0.181) 1.656 98.769 ( -1.685 -0.800 -0.375) 1.903 ======================= Grid point 13 (9/45) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 1.757 -2.383 2.124) 3.644 1.266 ( 4.260 -4.738 4.718) 7.928 1.386 ( 1.474 -1.902 2.623) 3.560 1.489 ( -2.116 -1.236 0.217) 2.460 1.642 ( 1.277 -0.848 1.446) 2.107 1.701 ( -1.107 -2.069 1.921) 3.033 1.830 ( -3.578 2.090 -0.225) 4.150 1.884 ( -0.175 -2.616 1.318) 2.934 1.966 ( -0.709 0.538 -0.507) 1.024 2.065 ( 5.609 -3.216 3.630) 7.415 2.339 ( 3.799 -0.474 -1.546) 4.129 2.487 ( -2.527 0.980 2.598) 3.754 2.659 ( 1.430 -1.022 -5.488) 5.763 2.834 ( 0.570 1.781 3.576) 4.035 2.879 ( -0.241 0.608 -1.756) 1.873 2.968 ( -0.074 -3.333 2.936) 4.442 3.148 ( 2.357 0.220 0.383) 2.398 3.261 ( -2.560 1.283 -4.023) 4.938 3.336 ( -2.404 -0.559 4.266) 4.928 3.585 ( -3.584 -2.748 1.412) 4.732 4.970 ( 1.595 -0.336 0.138) 1.636 5.086 ( 0.952 -0.064 0.440) 1.051 5.198 ( 2.829 1.520 -0.397) 3.236 5.242 ( -1.888 -1.527 -0.085) 2.430 5.300 ( 0.352 -0.962 0.748) 1.269 5.399 ( -0.327 1.594 -0.789) 1.809 5.437 ( -0.731 -1.191 1.270) 1.888 5.537 ( -1.720 -0.080 -0.250) 1.740 10.109 ( 0.976 -0.187 0.259) 1.027 10.256 ( -0.452 0.800 -0.930) 1.307 10.268 ( -0.554 -0.074 -0.024) 0.560 10.282 ( -0.431 -0.192 0.259) 0.538 10.633 ( 2.871 0.047 0.342) 2.892 10.780 ( 0.612 0.175 -0.618) 0.887 11.022 ( -2.507 2.529 -2.097) 4.133 11.080 ( -0.554 0.158 -0.447) 0.729 16.738 ( 0.162 -0.265 0.265) 0.408 16.760 ( 0.523 -0.580 0.575) 0.970 16.826 ( -0.410 -0.027 0.022) 0.411 16.840 ( -0.307 -0.083 0.094) 0.332 21.585 ( 0.722 0.009 0.233) 0.759 21.766 ( -1.570 1.001 -1.375) 2.315 21.925 ( 1.380 1.160 -0.389) 1.844 22.017 ( 0.349 -1.446 0.408) 1.543 22.111 ( -0.750 -0.478 0.737) 1.155 22.173 ( -0.769 -0.488 0.586) 1.083 22.361 ( 0.942 0.120 -0.106) 0.956 22.457 ( -0.440 0.779 -0.752) 1.169 36.846 ( 0.094 1.512 -1.427) 2.081 36.858 ( -0.192 0.027 -0.102) 0.219 36.901 ( 1.255 -0.461 0.464) 1.415 37.134 ( -0.729 0.399 -0.411) 0.927 46.637 ( 0.193 0.281 -0.168) 0.380 46.648 ( 0.121 -0.030 -0.091) 0.155 46.821 ( 0.722 -0.245 0.254) 0.804 47.023 ( -0.977 -0.093 0.086) 0.985 47.465 ( 0.778 1.313 -1.288) 1.997 47.705 ( -1.491 -0.501 0.364) 1.615 47.778 ( 0.306 0.561 -0.043) 0.640 47.790 ( 0.390 -0.201 -0.200) 0.482 95.652 ( 0.157 -0.256 0.241) 0.385 95.685 ( 0.651 0.118 -0.111) 0.671 95.735 ( -0.449 -0.040 0.036) 0.453 95.826 ( -0.695 -0.640 0.650) 1.147 98.043 ( -0.736 -0.398 0.467) 0.958 98.057 ( -0.686 -0.189 0.144) 0.726 98.086 ( 0.775 -0.046 0.054) 0.778 98.136 ( -0.017 0.135 -0.144) 0.198 98.384 ( 1.284 1.639 -1.262) 2.435 98.454 ( 1.161 0.635 -1.909) 2.323 98.562 ( 0.210 -1.444 2.659) 3.033 98.758 ( -1.746 -0.057 -0.284) 1.770 ======================= Grid point 15 (10/45) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 4.008 -12.546 -4.004) 13.766 1.216 ( 0.663 -10.487 -5.933) 12.068 1.418 ( 3.214 1.582 8.273) 9.016 1.567 ( -1.057 1.248 1.517) 2.231 1.656 ( 0.279 -1.354 -0.093) 1.385 1.721 ( 0.292 0.419 5.807) 5.830 1.776 ( -4.172 -4.674 -1.859) 6.535 1.896 ( 0.537 0.575 0.462) 0.912 1.957 ( -1.367 -0.270 -1.114) 1.784 2.048 ( 4.553 -5.292 2.585) 7.444 2.279 ( 2.113 -2.297 -3.156) 4.439 2.483 ( 0.764 -0.837 -5.216) 5.338 2.583 ( 3.146 -3.044 -0.118) 4.379 2.779 ( -3.414 -4.511 -4.672) 7.337 2.819 ( -3.005 -3.943 -5.066) 7.088 3.010 ( 3.896 -0.732 1.839) 4.370 3.145 ( 1.079 -2.711 -2.136) 3.616 3.193 ( -1.571 -0.886 -0.450) 1.859 3.353 ( 0.295 0.633 -0.544) 0.885 3.546 ( -3.060 -4.768 0.684) 5.706 4.983 ( 1.376 0.728 0.968) 1.833 5.062 ( 0.062 -1.876 -1.078) 2.165 5.161 ( 1.472 -1.766 -2.268) 3.230 5.268 ( 0.208 0.724 1.152) 1.377 5.297 ( 0.656 0.001 0.257) 0.705 5.406 ( -1.494 0.775 -0.709) 1.826 5.442 ( 0.150 -1.003 1.543) 1.847 5.526 ( -1.403 -0.490 -0.678) 1.633 10.121 ( 0.391 0.592 1.015) 1.238 10.252 ( -0.200 0.628 -0.894) 1.111 10.268 ( -0.348 0.092 -0.074) 0.367 10.282 ( -0.295 -0.369 0.179) 0.505 10.681 ( 0.754 2.942 3.373) 4.539 10.813 ( 1.597 3.301 1.662) 4.026 11.022 ( -2.273 1.282 -1.738) 3.135 11.089 ( -0.605 1.594 0.023) 1.705 16.737 ( 0.156 -0.329 0.186) 0.409 16.759 ( 0.542 -0.705 0.442) 0.994 16.810 ( -0.836 -1.048 -0.952) 1.644 16.835 ( 0.330 -0.591 -0.454) 0.815 21.578 ( 0.354 -0.473 -0.274) 0.651 21.785 ( -0.957 2.372 0.148) 2.562 21.952 ( 0.709 1.771 1.301) 2.310 22.004 ( 0.672 -0.175 -0.360) 0.782 22.113 ( -0.826 -0.694 0.567) 1.218 22.173 ( -0.904 -0.765 0.725) 1.388 22.361 ( 0.884 0.019 -0.134) 0.894 22.448 ( -0.221 -0.031 -1.267) 1.286 36.856 ( -0.131 1.620 -0.298) 1.653 36.868 ( -0.052 1.339 0.124) 1.346 36.909 ( 0.883 0.096 1.079) 1.397 37.138 ( -0.607 0.657 -0.104) 0.901 46.632 ( 0.139 -0.149 -0.494) 0.534 46.649 ( 0.193 0.124 0.030) 0.231 46.780 ( 0.755 -2.692 -2.000) 3.437 47.081 ( -1.267 3.645 3.472) 5.191 47.470 ( 0.704 1.593 -0.833) 1.930 47.695 ( -0.734 -1.054 -0.324) 1.325 47.785 ( -0.448 0.639 0.423) 0.887 47.804 ( 0.421 1.088 0.744) 1.384 95.642 ( 0.142 -0.830 -0.392) 0.929 95.685 ( 0.569 0.109 -0.126) 0.593 95.741 ( -0.336 0.311 0.384) 0.598 95.813 ( -0.497 -1.624 -0.300) 1.725 98.047 ( -0.646 -0.226 0.774) 1.033 98.059 ( -0.682 0.032 0.295) 0.744 98.088 ( 0.550 0.096 0.206) 0.595 98.132 ( 0.060 -0.130 -0.430) 0.453 98.386 ( 0.819 0.806 -1.060) 1.564 98.425 ( 1.566 0.230 -2.437) 2.906 98.584 ( -0.009 -0.915 2.370) 2.541 98.762 ( -1.502 0.686 0.340) 1.686 ======================= Grid point 16 (11/45) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 5.099 -14.170 -3.280) 15.413 0.963 ( 1.479 -14.092 -6.670) 15.661 1.453 ( 5.012 -9.225 -5.661) 11.928 1.544 ( 1.450 -2.948 2.093) 3.895 1.573 ( -0.868 -2.673 -1.948) 3.420 1.740 ( -2.697 -0.467 1.696) 3.220 1.841 ( -0.876 0.479 5.877) 5.961 1.893 ( -0.727 1.192 -0.716) 1.569 1.940 ( -0.684 0.371 -0.218) 0.808 2.015 ( 2.378 -5.005 3.350) 6.475 2.200 ( -1.969 -4.790 -3.161) 6.067 2.366 ( 3.728 -2.585 -7.209) 8.518 2.505 ( 3.264 -2.624 -6.640) 7.851 2.582 ( -2.009 -9.161 -3.730) 10.093 2.745 ( -2.328 -4.223 -1.081) 4.942 2.930 ( 5.759 -7.181 -5.323) 10.634 3.044 ( 5.268 -2.131 -3.529) 6.690 3.189 ( 2.006 -0.097 -1.306) 2.396 3.381 ( -3.363 6.022 -5.168) 8.619 3.509 ( -2.123 -6.690 8.088) 10.709 4.976 ( 0.494 -1.942 -1.062) 2.268 5.056 ( 0.272 1.035 1.144) 1.566 5.112 ( 0.246 -0.881 -1.558) 1.807 5.256 ( 1.748 -1.243 -0.998) 2.366 5.316 ( 0.015 0.411 0.675) 0.790 5.393 ( -0.167 -0.627 -1.344) 1.493 5.452 ( -1.017 0.161 0.652) 1.219 5.511 ( -0.299 -1.126 0.234) 1.189 10.147 ( -0.409 0.991 1.081) 1.523 10.251 ( 0.272 0.551 -0.506) 0.796 10.267 ( -0.150 -0.059 -0.228) 0.280 10.277 ( -0.061 -0.569 0.101) 0.581 10.794 ( -2.284 5.335 4.542) 7.370 10.896 ( 1.553 4.294 1.914) 4.951 11.015 ( -1.557 0.156 -0.503) 1.644 11.123 ( -0.550 2.789 0.549) 2.896 16.734 ( 0.119 -0.347 0.115) 0.384 16.754 ( 0.582 -0.781 0.359) 1.038 16.779 ( -0.930 -1.310 -1.147) 1.974 16.811 ( 1.011 -1.181 -1.087) 1.897 21.576 ( -0.164 0.543 0.173) 0.593 21.809 ( -0.024 0.446 -0.086) 0.455 21.996 ( -0.034 2.255 0.372) 2.285 22.020 ( 0.338 1.946 1.602) 2.544 22.110 ( -0.618 -0.159 0.089) 0.644 22.173 ( -1.315 -1.073 1.066) 2.004 22.356 ( 0.941 -0.114 -0.417) 1.036 22.422 ( 0.187 -1.085 -1.372) 1.759 36.879 ( -0.405 1.326 0.639) 1.527 36.896 ( -0.071 2.469 0.041) 2.470 36.930 ( 0.065 0.385 1.268) 1.327 37.147 ( -0.340 0.680 0.103) 0.767 46.624 ( 0.132 -0.085 -0.382) 0.413 46.649 ( 0.223 -0.130 -0.076) 0.269 46.717 ( 0.808 -2.604 -1.707) 3.217 47.191 ( -1.988 4.750 3.873) 6.443 47.484 ( 0.528 1.612 -0.459) 1.757 47.668 ( 0.155 -1.775 -0.796) 1.951 47.810 ( -0.722 1.471 0.860) 1.851 47.831 ( -0.076 1.076 0.820) 1.355 95.625 ( 0.109 -0.696 -0.351) 0.787 95.686 ( 0.404 0.231 -0.082) 0.473 95.748 ( -0.147 0.112 0.194) 0.268 95.776 ( 0.043 -2.321 -0.917) 2.496 98.057 ( -0.440 -0.122 0.875) 0.987 98.066 ( -0.708 0.131 0.411) 0.829 98.092 ( 0.096 0.030 0.107) 0.147 98.122 ( 0.305 -0.250 -0.541) 0.670 98.367 ( 0.336 -1.172 -1.034) 1.599 98.416 ( 1.579 2.085 -1.095) 2.836 98.593 ( -0.120 -0.705 0.468) 0.854 98.783 ( -1.102 0.742 1.089) 1.718 ======================= Grid point 21 (12/45) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 3.278 3.641 12.776) 13.683 1.171 ( 3.572 3.075 11.113) 12.071 1.522 ( -1.578 -1.659 -1.023) 2.508 1.576 ( -2.913 -0.473 1.660) 3.386 1.653 ( 0.162 -0.098 2.209) 2.217 1.694 ( 0.894 -2.372 1.184) 2.798 1.813 ( -2.118 -2.646 1.219) 3.602 1.887 ( -1.782 0.016 0.970) 2.029 1.937 ( -0.640 -0.404 0.832) 1.125 2.080 ( 2.080 -0.177 4.231) 4.718 2.331 ( 0.198 1.934 8.129) 8.358 2.465 ( 1.528 5.562 1.608) 5.988 2.577 ( 6.402 4.653 4.285) 9.000 2.696 ( 2.408 -2.343 8.051) 8.724 2.742 ( -1.575 1.035 1.048) 2.157 3.074 ( 0.413 1.566 2.402) 2.897 3.131 ( 0.914 3.941 1.954) 4.493 3.219 ( -0.712 0.264 0.450) 0.882 3.276 ( 5.416 -1.986 -1.563) 5.976 3.556 ( -5.523 -3.055 5.227) 8.195 5.005 ( -0.048 0.410 -0.534) 0.675 5.048 ( 1.955 0.994 1.740) 2.799 5.156 ( 0.963 1.414 2.274) 2.846 5.283 ( 1.103 0.018 0.269) 1.136 5.309 ( -1.425 0.500 -1.103) 1.870 5.387 ( 0.371 -0.146 -0.402) 0.566 5.443 ( -0.048 -1.284 0.947) 1.596 5.516 ( -1.688 -0.784 0.562) 1.944 10.132 ( -0.215 -0.318 -0.407) 0.559 10.245 ( 0.154 0.348 -0.976) 1.047 10.265 ( -0.150 -0.126 -0.048) 0.201 10.281 ( -0.276 -0.311 0.339) 0.537 10.707 ( -0.979 -1.482 -2.834) 3.344 10.863 ( -0.058 1.013 -4.124) 4.247 10.967 ( -0.304 -1.204 -3.175) 3.409 11.087 ( -0.565 -0.313 -1.225) 1.385 16.739 ( -0.017 -0.018 0.278) 0.280 16.776 ( -0.008 0.031 1.190) 1.191 16.787 ( 0.089 0.058 1.298) 1.303 16.834 ( 0.425 0.418 0.581) 0.833 21.577 ( 0.699 0.432 0.417) 0.922 21.781 ( -0.982 -0.654 -2.752) 2.994 21.955 ( 1.027 -0.172 -2.709) 2.902 22.025 ( -1.150 0.710 0.792) 1.567 22.107 ( -0.532 -0.933 0.822) 1.352 22.169 ( -0.954 -1.252 1.091) 1.915 22.369 ( 0.541 0.612 0.097) 0.823 22.433 ( 0.805 0.712 -0.278) 1.110 36.852 ( 0.270 0.198 -2.176) 2.201 36.869 ( -0.213 -0.159 -1.249) 1.277 36.925 ( 0.079 0.078 -0.404) 0.419 37.131 ( -0.370 -0.352 -0.849) 0.991 46.628 ( 0.461 0.392 0.095) 0.612 46.652 ( 0.049 0.132 -0.132) 0.193 46.771 ( 1.521 1.507 2.953) 3.647 47.097 ( -2.807 -2.798 -3.952) 5.597 47.468 ( 1.218 1.181 -2.228) 2.800 47.688 ( -0.526 -0.418 1.292) 1.456 47.783 ( -0.221 -0.421 -0.950) 1.063 47.814 ( -0.336 -0.217 -1.057) 1.131 95.640 ( 0.304 0.313 1.017) 1.106 95.689 ( 0.474 0.484 -0.228) 0.715 95.741 ( -0.444 -0.442 -0.342) 0.713 95.806 ( -0.256 -0.276 2.112) 2.145 98.048 ( -0.763 -0.955 0.218) 1.242 98.056 ( -0.797 -0.638 0.073) 1.023 98.094 ( 0.213 0.189 0.044) 0.288 98.129 ( 0.302 0.330 0.079) 0.455 98.377 ( 2.103 1.548 -1.353) 2.941 98.431 ( 0.895 2.194 -0.001) 2.370 98.594 ( 0.101 -1.150 0.832) 1.423 98.756 ( -1.948 -1.413 -0.625) 2.486 ======================= Grid point 22 (13/45) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 2.768 1.721 10.059) 10.574 1.334 ( 0.818 1.933 6.480) 6.811 1.453 ( 0.851 -4.619 -0.127) 4.698 1.517 ( -1.524 -6.534 -2.806) 7.273 1.624 ( -5.251 0.003 -0.123) 5.252 1.745 ( 1.635 1.609 1.992) 3.038 1.795 ( 1.259 -3.324 1.402) 3.821 1.902 ( -1.211 -0.954 2.062) 2.574 1.945 ( -1.595 -0.207 0.467) 1.674 2.146 ( 2.251 -0.077 4.418) 4.958 2.405 ( 2.726 -0.596 1.887) 3.369 2.502 ( 3.726 -2.251 3.886) 5.835 2.671 ( -0.088 0.250 -4.747) 4.754 2.749 ( -4.760 4.263 4.357) 7.734 2.853 ( 3.795 4.055 5.907) 8.108 3.069 ( 2.487 -4.152 -0.272) 4.847 3.174 ( 1.042 2.485 -0.336) 2.715 3.199 ( -2.120 -0.733 -0.473) 2.293 3.298 ( -3.127 -1.350 4.480) 5.627 3.562 ( -5.978 -3.734 2.506) 7.481 4.992 ( 1.137 0.192 -0.868) 1.443 5.108 ( 2.950 1.444 2.455) 4.100 5.198 ( 0.487 0.920 1.770) 2.054 5.256 ( 0.747 -1.651 -1.852) 2.591 5.300 ( -1.734 0.609 -1.194) 2.192 5.396 ( 0.963 0.010 0.842) 1.279 5.436 ( -1.022 -1.281 1.169) 2.013 5.509 ( -2.680 -0.581 -0.033) 2.743 10.129 ( 1.174 -0.106 0.237) 1.203 10.236 ( -0.674 0.612 -1.136) 1.455 10.262 ( -0.350 -0.048 -0.136) 0.378 10.280 ( -0.434 -0.336 0.269) 0.611 10.682 ( 3.456 0.353 -0.056) 3.474 10.803 ( 1.600 -1.167 -3.194) 3.758 10.931 ( -3.634 2.959 -3.742) 5.997 11.076 ( -0.368 -0.238 -0.154) 0.465 16.741 ( -0.000 -0.115 0.204) 0.234 16.783 ( 0.913 -0.999 1.151) 1.776 16.812 ( -0.853 0.711 0.881) 1.418 16.838 ( -0.368 -0.290 -0.036) 0.470 21.596 ( 1.342 0.531 1.000) 1.756 21.732 ( -1.697 0.127 -2.978) 3.430 21.930 ( 1.481 0.965 -1.673) 2.433 22.040 ( -0.164 -1.003 1.247) 1.608 22.107 ( -0.884 -0.698 0.887) 1.434 22.169 ( -1.134 -0.956 1.063) 1.825 22.375 ( 1.291 0.236 0.016) 1.313 22.436 ( -0.222 1.155 -1.138) 1.636 36.833 ( 0.741 1.234 -2.011) 2.474 36.856 ( -0.267 -0.162 -0.333) 0.457 36.922 ( 1.255 0.240 -0.351) 1.325 37.118 ( -0.776 0.034 -0.586) 0.973 46.636 ( 0.452 0.463 0.053) 0.649 46.649 ( 0.065 0.054 -0.381) 0.390 46.828 ( 1.267 1.111 1.968) 2.590 47.020 ( -1.908 -1.981 -1.885) 3.334 47.458 ( 1.595 1.907 -2.322) 3.401 47.692 ( -1.784 -1.101 1.009) 2.327 47.777 ( 0.576 0.509 -0.226) 0.801 47.798 ( 0.076 -0.212 -0.792) 0.823 95.657 ( 0.277 0.056 0.759) 0.810 95.692 ( 0.773 0.451 -0.287) 0.940 95.730 ( -0.660 -0.443 -0.201) 0.820 95.823 ( -1.034 -0.862 1.549) 2.052 98.041 ( -0.747 -0.816 0.542) 1.232 98.050 ( -0.959 -0.489 0.219) 1.098 98.096 ( 0.652 0.090 0.001) 0.658 98.133 ( 0.036 0.249 -0.087) 0.266 98.380 ( 2.726 2.774 -2.522) 4.635 98.455 ( 0.733 1.191 -0.491) 1.482 98.593 ( 0.609 -1.752 2.198) 2.876 98.732 ( -2.671 -0.891 -0.445) 2.851 ======================= Grid point 23 (14/45) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 2.903 -10.009 -1.752) 10.568 1.340 ( 0.903 -6.670 -2.469) 7.170 1.445 ( -0.080 0.187 5.807) 5.811 1.516 ( -0.123 2.553 5.250) 5.839 1.628 ( -5.775 0.268 0.612) 5.813 1.757 ( 0.535 -1.419 -1.927) 2.452 1.785 ( 1.550 -1.599 3.761) 4.371 1.907 ( -0.415 -2.061 0.863) 2.273 1.939 ( -1.937 -0.697 0.261) 2.075 2.157 ( 1.527 -3.554 0.150) 3.871 2.389 ( 3.926 -3.570 1.400) 5.488 2.520 ( 2.258 -3.683 1.446) 4.556 2.626 ( 3.060 2.144 -1.631) 4.077 2.759 ( -4.758 -2.054 -3.292) 6.140 2.888 ( 1.972 -4.190 -4.944) 6.774 3.060 ( 3.570 -0.951 5.302) 6.462 3.155 ( -3.424 -0.610 -2.145) 4.087 3.192 ( 0.815 -0.859 1.549) 1.950 3.333 ( -3.415 -0.543 0.018) 3.458 3.549 ( -5.374 -3.714 3.949) 7.633 4.992 ( 1.269 0.822 -0.230) 1.529 5.108 ( 2.663 -2.288 -1.319) 3.751 5.202 ( 0.123 -2.057 -1.260) 2.416 5.254 ( 1.381 2.264 2.109) 3.388 5.297 ( -1.485 0.821 -0.890) 1.916 5.389 ( 0.263 -1.103 0.259) 1.164 5.450 ( -0.875 -0.428 1.274) 1.604 5.503 ( -2.515 -0.303 0.399) 2.564 10.129 ( 1.104 -0.213 0.136) 1.133 10.235 ( -0.539 1.081 -0.656) 1.374 10.262 ( -0.325 0.115 0.049) 0.348 10.280 ( -0.456 -0.240 0.330) 0.612 10.686 ( 3.085 0.114 -0.210) 3.094 10.797 ( 2.034 3.057 0.831) 3.765 10.935 ( -3.886 3.928 -2.730) 6.163 11.075 ( -0.247 0.071 0.223) 0.340 16.741 ( -0.001 -0.204 0.115) 0.234 16.783 ( 0.918 -1.154 0.993) 1.778 16.812 ( -0.852 -0.879 -0.706) 1.413 16.838 ( -0.374 0.037 0.290) 0.475 21.598 ( 1.131 -0.950 -0.459) 1.547 21.730 ( -1.390 2.908 -0.233) 3.232 21.935 ( 0.948 2.033 -0.842) 2.396 22.032 ( 0.650 -1.773 0.762) 2.037 22.110 ( -1.151 -0.769 0.814) 1.605 22.170 ( -1.214 -1.009 0.986) 1.861 22.376 ( 1.288 -0.015 -0.242) 1.310 22.436 ( -0.249 1.151 -1.143) 1.641 36.833 ( 0.716 2.039 -1.235) 2.489 36.856 ( -0.250 0.310 0.166) 0.432 36.922 ( 1.253 0.351 -0.239) 1.323 37.118 ( -0.767 0.581 -0.037) 0.963 46.636 ( 0.392 -0.038 -0.461) 0.606 46.649 ( 0.131 0.362 -0.058) 0.389 46.828 ( 1.259 -1.964 -1.109) 2.583 47.020 ( -1.902 1.883 1.980) 3.329 47.458 ( 1.576 2.333 -1.903) 3.399 47.691 ( -1.690 -1.038 1.071) 2.254 47.779 ( 0.344 0.259 -0.481) 0.646 47.796 ( 0.227 0.777 0.211) 0.837 95.657 ( 0.292 -0.760 -0.061) 0.816 95.692 ( 0.765 0.283 -0.449) 0.931 95.730 ( -0.658 0.200 0.443) 0.818 95.824 ( -1.041 -1.544 0.863) 2.053 98.042 ( -0.814 -0.514 0.863) 1.293 98.050 ( -0.909 -0.240 0.448) 1.041 98.097 ( 0.639 0.005 -0.084) 0.644 98.133 ( 0.046 0.082 -0.254) 0.270 98.382 ( 2.628 2.831 -2.868) 4.811 98.448 ( 1.235 -0.206 -1.073) 1.649 98.601 ( -0.059 -1.648 1.823) 2.458 98.728 ( -2.388 0.276 0.789) 2.530 ======================= Grid point 31 (15/45) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -1.910 -1.910 1.910) 3.309 1.413 ( -2.062 -2.062 2.062) 3.571 1.416 ( -1.070 -1.070 1.070) 1.853 1.527 ( -2.263 -2.263 2.263) 3.919 1.534 ( -1.168 -1.168 1.168) 2.023 1.763 ( 1.532 1.532 -1.532) 2.654 1.822 ( -0.223 -0.223 0.223) 0.385 1.920 ( -2.091 -2.091 2.091) 3.622 1.933 ( -1.030 -1.030 1.030) 1.785 2.192 ( -0.823 -0.823 0.823) 1.425 2.423 ( -1.468 -1.468 1.468) 2.543 2.599 ( 2.705 2.705 -2.705) 4.686 2.632 ( -1.877 -1.877 1.877) 3.251 2.727 ( -1.429 -1.429 1.429) 2.474 2.940 ( 3.075 3.075 -3.075) 5.326 3.110 ( -0.387 -0.387 0.387) 0.670 3.117 ( -0.672 -0.672 0.672) 1.164 3.214 ( -1.268 -1.268 1.268) 2.196 3.302 ( -4.185 -4.185 4.185) 7.248 3.525 ( -4.407 -4.407 4.407) 7.633 4.995 ( 1.064 1.064 -1.064) 1.843 5.159 ( 0.971 0.971 -0.971) 1.683 5.225 ( -1.260 -1.260 1.260) 2.183 5.239 ( -0.398 -0.398 0.398) 0.689 5.264 ( 1.864 1.864 -1.864) 3.228 5.426 ( -0.323 -0.323 0.323) 0.559 5.429 ( -0.989 -0.989 0.989) 1.713 5.482 ( -1.613 -1.613 1.613) 2.793 10.143 ( 0.435 0.435 -0.435) 0.753 10.219 ( 0.279 0.279 -0.279) 0.484 10.259 ( -0.031 -0.031 0.031) 0.054 10.278 ( -0.364 -0.364 0.364) 0.631 10.736 ( 2.125 2.125 -2.125) 3.681 10.774 ( 1.611 1.611 -1.611) 2.791 10.866 ( 0.420 0.420 -0.420) 0.727 11.073 ( -0.204 -0.204 0.204) 0.354 16.743 ( -0.105 -0.105 0.105) 0.181 16.806 ( -0.580 -0.580 0.580) 1.004 16.808 ( -0.181 -0.181 0.181) 0.314 16.831 ( -0.396 -0.396 0.396) 0.686 21.622 ( 0.148 0.148 -0.148) 0.256 21.690 ( 0.779 0.779 -0.779) 1.350 21.927 ( 1.355 1.355 -1.355) 2.346 22.051 ( -0.842 -0.842 0.842) 1.459 22.106 ( -0.839 -0.839 0.839) 1.454 22.168 ( -1.204 -1.204 1.204) 2.085 22.389 ( 0.505 0.505 -0.505) 0.875 22.421 ( 0.868 0.868 -0.868) 1.503 36.824 ( 1.501 1.501 -1.501) 2.600 36.852 ( -0.101 -0.101 0.101) 0.175 36.929 ( 0.957 0.957 -0.957) 1.658 37.108 ( -0.161 -0.161 0.161) 0.279 46.642 ( 0.208 0.208 -0.208) 0.360 46.644 ( 0.324 0.324 -0.324) 0.562 46.854 ( 0.279 0.279 -0.279) 0.482 46.990 ( -0.874 -0.874 0.874) 1.514 47.453 ( 2.308 2.308 -2.308) 3.997 47.685 ( -1.593 -1.593 1.593) 2.760 47.782 ( 0.621 0.621 -0.621) 1.076 47.791 ( 0.176 0.176 -0.176) 0.304 95.665 ( -0.108 -0.108 0.108) 0.187 95.696 ( 0.608 0.608 -0.608) 1.053 95.722 ( -0.411 -0.411 0.411) 0.711 95.827 ( -1.380 -1.380 1.380) 2.391 98.041 ( -0.817 -0.817 0.817) 1.415 98.043 ( -0.547 -0.547 0.547) 0.947 98.101 ( 0.293 0.293 -0.293) 0.507 98.132 ( 0.098 0.098 -0.098) 0.169 98.381 ( 3.429 3.429 -3.429) 5.939 98.457 ( 0.388 0.388 -0.388) 0.672 98.619 ( -0.987 -0.987 0.987) 1.710 98.704 ( -1.330 -1.330 1.330) 2.303 ======================= Grid point 102 (16/45) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 8.808 8.808 8.808) 15.256 0.845 ( 9.376 9.376 9.376) 16.240 1.416 ( 10.474 10.474 10.474) 18.142 1.544 ( 0.204 0.204 0.204) 0.354 1.544 ( 1.217 1.217 1.217) 2.108 1.730 ( -1.957 -1.957 -1.957) 3.390 1.834 ( -0.104 -0.104 -0.104) 0.181 1.895 ( -3.689 -3.689 -3.689) 6.389 1.947 ( -0.257 -0.257 -0.257) 0.445 1.992 ( 2.261 2.261 2.261) 3.915 2.107 ( 4.435 4.435 4.435) 7.681 2.416 ( 4.434 4.434 4.434) 7.680 2.459 ( 1.445 1.445 1.445) 2.502 2.548 ( 5.747 5.747 5.747) 9.954 2.689 ( -1.161 -1.161 -1.161) 2.011 2.899 ( 8.204 8.204 8.204) 14.210 3.066 ( 3.524 3.524 3.524) 6.104 3.276 ( 1.551 1.551 1.551) 2.686 3.397 ( 0.436 0.436 0.436) 0.754 3.397 ( -4.255 -4.255 -4.255) 7.369 4.966 ( 1.574 1.574 1.574) 2.726 5.085 ( -1.958 -1.958 -1.958) 3.391 5.088 ( 1.878 1.878 1.878) 3.252 5.269 ( 1.257 1.257 1.257) 2.178 5.315 ( 0.171 0.171 0.171) 0.296 5.389 ( 0.822 0.822 0.822) 1.424 5.443 ( -1.052 -1.052 -1.052) 1.823 5.499 ( 0.196 0.196 0.196) 0.340 10.151 ( -0.839 -0.839 -0.839) 1.453 10.260 ( 0.105 0.105 0.105) 0.182 10.262 ( -0.011 -0.011 -0.011) 0.019 10.272 ( 0.129 0.129 0.129) 0.223 10.818 ( -4.692 -4.692 -4.692) 8.127 10.948 ( -0.732 -0.732 -0.732) 1.267 10.992 ( -0.474 -0.474 -0.474) 0.821 11.138 ( -1.908 -1.908 -1.908) 3.304 16.735 ( 0.259 0.259 0.259) 0.448 16.755 ( 0.335 0.335 0.335) 0.581 16.757 ( 0.500 0.500 0.500) 0.866 16.811 ( 1.109 1.109 1.109) 1.921 21.579 ( -0.495 -0.495 -0.495) 0.857 21.811 ( 0.274 0.274 0.274) 0.475 22.021 ( -1.734 -1.734 -1.734) 3.003 22.031 ( -0.376 -0.376 -0.376) 0.652 22.105 ( -0.878 -0.878 -0.878) 1.521 22.152 ( -0.175 -0.175 -0.175) 0.303 22.364 ( 0.391 0.391 0.391) 0.677 22.413 ( 1.237 1.237 1.237) 2.143 36.885 ( -0.858 -0.858 -0.858) 1.485 36.911 ( -1.094 -1.094 -1.094) 1.896 36.936 ( -0.275 -0.275 -0.275) 0.476 37.148 ( -0.477 -0.477 -0.477) 0.826 46.624 ( 0.181 0.181 0.181) 0.314 46.650 ( 0.205 0.205 0.205) 0.355 46.704 ( 1.770 1.770 1.770) 3.066 47.210 ( -3.837 -3.837 -3.837) 6.646 47.500 ( -0.157 -0.157 -0.157) 0.272 47.655 ( 0.995 0.995 0.995) 1.724 47.815 ( -1.184 -1.184 -1.184) 2.051 47.838 ( -0.613 -0.613 -0.613) 1.062 95.621 ( 0.344 0.344 0.344) 0.596 95.692 ( 0.120 0.120 0.120) 0.208 95.748 ( -0.130 -0.130 -0.130) 0.225 95.758 ( 1.151 1.151 1.151) 1.993 98.054 ( -0.495 -0.495 -0.495) 0.857 98.059 ( -0.383 -0.383 -0.383) 0.664 98.092 ( 0.061 0.061 0.061) 0.105 98.123 ( 0.343 0.343 0.343) 0.594 98.362 ( 1.092 1.092 1.092) 1.892 98.443 ( 0.087 0.087 0.087) 0.151 98.590 ( 0.089 0.089 0.089) 0.154 98.778 ( -1.153 -1.153 -1.153) 1.997 ======================= Grid point 103 (17/45) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 8.569 7.672 7.793) 13.894 1.111 ( 4.317 9.230 9.048) 13.627 1.505 ( 2.150 -3.110 -2.998) 4.826 1.561 ( -0.437 -0.456 0.253) 0.680 1.643 ( 3.514 4.998 4.377) 7.516 1.696 ( -1.032 0.673 0.392) 1.293 1.753 ( 0.312 -4.308 -4.862) 6.503 1.885 ( -5.345 1.036 2.319) 5.918 1.930 ( -0.683 -0.245 -0.759) 1.051 2.056 ( 5.598 2.825 1.780) 6.518 2.252 ( 1.216 4.362 5.511) 7.133 2.519 ( 3.325 1.968 4.090) 5.627 2.581 ( 1.744 1.401 1.400) 2.639 2.624 ( 2.507 8.343 4.784) 9.938 2.726 ( -4.211 2.795 3.926) 6.400 3.055 ( 2.018 1.754 1.973) 3.323 3.132 ( -0.010 1.255 2.231) 2.560 3.232 ( 6.723 -3.842 -1.856) 7.963 3.347 ( -0.666 3.369 -4.204) 5.428 3.444 ( -5.679 0.061 4.601) 7.310 5.010 ( 1.558 0.524 0.702) 1.787 5.051 ( 1.336 0.852 0.433) 1.643 5.143 ( 0.240 1.834 2.058) 2.767 5.288 ( 1.511 0.305 -0.163) 1.550 5.313 ( 0.260 -0.740 0.058) 0.786 5.399 ( -0.235 -0.647 -0.537) 0.873 5.424 ( -1.126 0.567 -0.288) 1.294 5.501 ( -1.605 -0.231 0.178) 1.631 10.133 ( 0.074 -0.465 -0.495) 0.683 10.256 ( -0.146 -0.280 -0.187) 0.367 10.264 ( -0.358 -0.006 -0.016) 0.359 10.274 ( -0.273 0.027 -0.003) 0.274 10.718 ( -0.905 -2.360 -2.489) 3.548 10.895 ( 2.794 -3.193 -2.866) 5.120 10.993 ( -2.596 0.582 0.237) 2.671 11.084 ( -2.536 -1.767 -1.642) 3.500 16.740 ( 0.599 0.129 0.127) 0.626 16.760 ( 0.723 0.148 0.157) 0.754 16.782 ( -0.827 1.145 1.140) 1.815 16.833 ( 0.451 0.486 0.484) 0.821 21.577 ( 0.396 0.398 0.318) 0.646 21.795 ( -1.129 -1.424 -1.355) 2.267 21.982 ( 0.940 -0.795 -1.473) 1.920 22.016 ( -0.304 -0.845 0.086) 0.902 22.094 ( -0.948 0.027 -0.069) 0.951 22.152 ( -0.839 0.158 0.021) 0.854 22.372 ( 0.778 0.216 0.237) 0.841 22.441 ( 0.207 0.716 0.687) 1.014 36.863 ( -0.467 -0.650 -0.668) 1.042 36.881 ( -0.662 -1.031 -1.020) 1.594 36.930 ( 1.245 -0.141 -0.141) 1.260 37.133 ( -0.966 -0.568 -0.561) 1.254 46.630 ( 0.243 0.323 0.299) 0.502 46.653 ( 0.198 0.003 0.032) 0.200 46.761 ( 1.628 2.372 2.367) 3.725 47.105 ( -2.712 -3.747 -3.744) 5.950 47.494 ( 0.830 -0.209 -0.223) 0.884 47.674 ( -0.734 0.292 0.325) 0.854 47.788 ( -0.494 -0.626 -0.680) 1.048 47.820 ( -0.111 -0.724 -0.691) 1.007 95.635 ( 0.391 0.654 0.656) 1.006 95.696 ( 0.733 0.118 0.125) 0.753 95.740 ( -0.432 -0.428 -0.428) 0.744 95.787 ( -0.307 0.927 0.917) 1.340 98.040 ( -0.613 -0.429 -0.485) 0.892 98.050 ( -0.802 -0.297 -0.251) 0.891 98.095 ( 0.418 0.114 0.106) 0.446 98.131 ( 0.151 0.228 0.236) 0.361 98.394 ( 1.517 1.224 0.982) 2.182 98.453 ( 1.514 0.462 1.081) 1.917 98.581 ( 0.077 -0.459 -1.030) 1.130 98.747 ( -2.221 -1.120 -0.918) 2.651 ======================= Grid point 104 (18/45) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 5.399 6.601 6.737) 10.868 1.320 ( 2.838 5.319 4.406) 7.467 1.394 ( 5.169 -3.890 -2.631) 6.983 1.503 ( -1.109 -4.204 -4.497) 6.255 1.661 ( 0.499 -0.836 -1.620) 1.890 1.666 ( 0.006 -0.641 0.060) 0.644 1.782 ( -0.277 2.694 2.347) 3.584 1.891 ( -0.046 -0.658 -0.822) 1.054 1.944 ( -2.694 0.580 1.006) 2.934 2.109 ( 4.922 1.670 0.780) 5.256 2.368 ( 2.593 3.082 4.893) 6.338 2.474 ( 1.523 -2.803 -4.198) 5.273 2.674 ( 0.177 0.750 3.894) 3.969 2.756 ( -5.856 3.101 1.866) 6.884 2.875 ( 2.930 7.918 4.525) 9.579 3.021 ( 4.774 -4.891 -2.950) 7.444 3.172 ( 0.063 0.138 -0.018) 0.153 3.200 ( -2.451 1.097 4.985) 5.662 3.311 ( -1.862 -0.286 -5.931) 6.223 3.494 ( -6.482 0.069 1.989) 6.781 5.001 ( 2.351 -0.347 -0.307) 2.396 5.102 ( 3.142 1.685 1.636) 3.923 5.191 ( -1.563 1.485 1.271) 2.503 5.268 ( 2.836 -1.098 -1.145) 3.249 5.299 ( 0.157 -0.821 -0.467) 0.958 5.395 ( -1.703 -0.051 1.260) 2.119 5.419 ( -0.447 0.197 -1.628) 1.700 5.503 ( -3.090 -0.090 0.324) 3.108 10.126 ( 1.473 -0.017 -0.056) 1.474 10.251 ( -1.219 -0.155 -0.059) 1.230 10.262 ( -0.308 -0.108 -0.080) 0.336 10.274 ( -0.511 0.003 -0.051) 0.514 10.686 ( 3.688 -0.043 -0.253) 3.697 10.813 ( 2.145 -2.380 -2.085) 3.823 11.006 ( -2.904 0.557 0.209) 2.965 11.051 ( -3.188 -0.812 -0.579) 3.340 16.743 ( 0.676 0.041 0.040) 0.679 16.763 ( 0.688 0.057 0.061) 0.693 16.811 ( -0.858 0.852 0.851) 1.479 16.836 ( -0.349 -0.202 -0.205) 0.452 21.593 ( 1.144 0.610 0.502) 1.390 21.754 ( -2.121 -1.211 -1.075) 2.668 21.959 ( 1.832 -0.248 -0.749) 1.994 22.014 ( 0.162 -0.295 0.403) 0.525 22.096 ( -0.716 0.152 -0.004) 0.732 22.154 ( -1.231 0.091 0.045) 1.235 22.376 ( 1.234 0.111 0.099) 1.243 22.452 ( -0.659 0.175 0.166) 0.701 36.852 ( -0.283 -0.122 -0.159) 0.347 36.860 ( -0.368 -0.528 -0.496) 0.812 36.928 ( 2.542 -0.033 -0.034) 2.542 37.121 ( -1.537 -0.261 -0.255) 1.579 46.639 ( 0.237 0.276 0.233) 0.432 46.652 ( 0.183 -0.145 -0.099) 0.253 46.822 ( 1.535 1.697 1.693) 2.846 47.019 ( -1.941 -2.172 -2.169) 3.632 47.490 ( 1.471 -0.072 -0.086) 1.476 47.674 ( -2.313 -0.134 -0.095) 2.318 47.783 ( 0.324 0.239 0.136) 0.425 47.801 ( 0.326 -0.603 -0.528) 0.865 95.652 ( 0.476 0.413 0.418) 0.756 95.699 ( 1.122 0.099 0.095) 1.130 95.728 ( -0.769 -0.366 -0.361) 0.925 95.805 ( -1.177 0.347 0.341) 1.274 98.031 ( -0.699 -0.162 -0.195) 0.743 98.045 ( -0.963 -0.123 -0.097) 0.976 98.097 ( 0.848 0.038 0.031) 0.849 98.135 ( -0.095 0.090 0.096) 0.162 98.415 ( 2.268 0.528 0.211) 2.338 98.484 ( 2.021 0.608 1.818) 2.786 98.553 ( 0.061 -0.562 -1.672) 1.765 98.727 ( -3.118 -0.517 -0.291) 3.174 ======================= Grid point 109 (19/45) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 19.426 -0.000 -0.000) 19.426 0.612 ( 20.741 -0.000 -0.000) 20.741 0.878 ( 29.866 -0.000 -0.000) 29.866 1.501 ( 3.290 -0.000 -0.000) 3.290 1.515 ( 4.715 -0.000 -0.000) 4.715 1.823 ( -2.503 0.000 0.000) 2.503 1.883 ( 2.325 -0.000 -0.000) 2.325 1.969 ( 5.731 -0.000 -0.000) 5.731 1.981 ( 7.001 -0.000 -0.000) 7.001 2.003 ( 2.613 -0.000 -0.000) 2.613 2.035 ( 7.431 -0.000 -0.000) 7.431 2.039 ( 8.635 -0.000 -0.000) 8.635 2.330 ( -8.825 0.000 0.000) 8.825 2.454 ( -4.502 0.000 0.000) 4.502 2.727 ( 6.645 -0.000 -0.000) 6.645 2.751 ( 7.198 -0.000 -0.000) 7.198 2.871 ( 8.147 -0.000 -0.000) 8.147 3.108 ( -6.450 0.000 0.000) 6.450 3.302 ( 0.712 -0.000 -0.000) 0.712 3.690 ( 1.596 -0.000 -0.000) 1.596 4.939 ( 0.990 -0.000 -0.000) 0.990 5.026 ( 2.938 -0.000 -0.000) 2.938 5.131 ( -3.168 0.000 0.000) 3.168 5.221 ( 0.352 -0.000 -0.000) 0.352 5.324 ( 2.461 -0.000 -0.000) 2.461 5.340 ( -0.440 0.000 0.000) 0.440 5.458 ( -0.710 0.000 0.000) 0.710 5.512 ( 2.272 -0.000 -0.000) 2.272 10.184 ( -0.918 0.000 0.000) 0.918 10.247 ( -0.559 0.000 0.000) 0.559 10.258 ( 0.253 -0.000 -0.000) 0.253 10.271 ( 0.605 -0.000 -0.000) 0.605 10.933 ( -3.970 0.000 0.000) 3.970 10.971 ( -2.208 0.000 0.000) 2.208 11.072 ( -3.281 0.000 0.000) 3.281 11.182 ( -3.495 0.000 0.000) 3.495 16.735 ( 0.700 -0.000 -0.000) 0.700 16.744 ( 1.044 -0.000 -0.000) 1.044 16.747 ( 1.049 -0.000 -0.000) 1.049 16.758 ( 1.011 -0.000 -0.000) 1.011 21.611 ( -2.709 0.000 0.000) 2.709 21.780 ( 2.642 -0.000 -0.000) 2.642 22.020 ( -1.991 0.000 0.000) 1.991 22.111 ( -3.217 0.000 0.000) 3.217 22.113 ( -1.487 0.000 0.000) 1.487 22.193 ( 1.432 -0.000 -0.000) 1.432 22.329 ( 0.267 -0.000 -0.000) 0.267 22.377 ( 2.221 -0.000 -0.000) 2.221 36.915 ( -1.352 0.000 0.000) 1.352 36.932 ( -2.686 0.000 0.000) 2.686 36.963 ( -0.396 0.000 0.000) 0.396 37.157 ( -0.572 0.000 0.000) 0.572 46.618 ( -0.290 0.000 0.000) 0.290 46.642 ( 0.519 -0.000 -0.000) 0.519 46.657 ( 1.880 -0.000 -0.000) 1.880 47.351 ( -5.733 0.000 0.000) 5.733 47.492 ( -1.724 0.000 0.000) 1.724 47.612 ( 3.427 -0.000 -0.000) 3.427 47.850 ( -1.665 0.000 0.000) 1.665 47.862 ( -0.857 0.000 0.000) 0.857 95.619 ( -0.232 0.000 0.000) 0.232 95.689 ( -0.417 0.000 0.000) 0.417 95.715 ( 3.087 -0.000 -0.000) 3.087 95.747 ( 0.344 -0.000 -0.000) 0.344 98.083 ( 0.179 -0.000 -0.000) 0.179 98.084 ( -0.154 0.000 0.000) 0.154 98.086 ( 0.337 -0.000 -0.000) 0.337 98.100 ( 0.238 -0.000 -0.000) 0.238 98.332 ( 1.194 -0.000 -0.000) 1.194 98.436 ( -3.730 0.000 0.000) 3.730 98.571 ( 1.464 -0.000 -0.000) 1.464 98.821 ( -0.314 0.000 0.000) 0.314 ======================= Grid point 112 (20/45) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 5.086 5.156 6.718) 9.878 1.295 ( 5.894 5.650 6.539) 10.460 1.457 ( -3.089 -2.553 -2.696) 4.830 1.550 ( -0.601 -0.940 -1.099) 1.566 1.627 ( 1.549 1.408 -7.694) 7.974 1.750 ( 0.214 2.502 2.755) 3.728 1.772 ( 1.621 -0.894 4.173) 4.565 1.854 ( -1.899 -1.756 2.607) 3.672 1.916 ( -0.792 -0.552 0.073) 0.968 2.138 ( 1.989 1.354 1.074) 2.635 2.365 ( 1.437 2.442 6.112) 6.736 2.544 ( 3.051 1.848 -2.995) 4.657 2.634 ( -1.939 1.578 3.988) 4.707 2.671 ( -1.189 -3.346 2.669) 4.442 2.848 ( 8.318 7.060 7.922) 13.483 3.086 ( 0.554 0.048 1.243) 1.362 3.121 ( -2.876 -0.839 0.880) 3.122 3.238 ( -0.485 2.775 -6.315) 6.915 3.308 ( 2.536 -3.916 -2.834) 5.459 3.425 ( -6.590 -4.230 4.491) 9.028 5.024 ( 1.248 1.246 -0.630) 1.873 5.115 ( 3.219 3.228 2.816) 5.358 5.166 ( -0.569 -0.577 1.624) 1.814 5.300 ( 1.028 0.004 -1.293) 1.652 5.309 ( 0.423 1.240 -1.317) 1.858 5.373 ( -1.791 -0.762 0.549) 2.022 5.426 ( 0.231 -1.205 0.372) 1.282 5.471 ( -2.405 -1.798 -0.316) 3.019 10.139 ( 0.812 0.793 0.399) 1.202 10.241 ( -0.615 -0.575 -0.894) 1.227 10.260 ( -0.170 -0.158 -0.101) 0.253 10.270 ( -0.402 -0.424 0.148) 0.603 10.712 ( 1.732 1.648 0.817) 2.527 10.880 ( 0.559 0.867 -3.932) 4.065 10.944 ( -0.745 -1.054 -3.058) 3.319 11.038 ( -3.150 -3.076 1.270) 4.582 16.747 ( 0.596 0.595 -0.317) 0.900 16.776 ( 0.017 0.023 0.925) 0.926 16.790 ( 0.151 0.147 1.059) 1.079 16.835 ( -0.316 -0.317 -0.247) 0.512 21.598 ( 1.066 1.021 1.086) 1.833 21.746 ( -1.711 -1.658 -2.379) 3.367 21.976 ( 1.156 0.860 -1.950) 2.425 22.016 ( -0.695 -0.293 1.248) 1.458 22.091 ( -0.165 -0.248 0.454) 0.543 22.144 ( -0.810 -0.832 0.374) 1.221 22.386 ( 0.687 0.681 0.372) 1.037 22.444 ( -0.045 -0.048 -0.321) 0.327 36.851 ( -0.174 -0.184 -0.456) 0.522 36.860 ( -0.425 -0.418 -0.814) 1.009 36.950 ( 1.596 1.595 -0.133) 2.261 37.110 ( -1.205 -1.202 -0.503) 1.775 46.639 ( 0.336 0.322 0.279) 0.543 46.654 ( 0.019 0.034 -0.187) 0.191 46.820 ( 2.050 2.049 2.344) 3.728 47.022 ( -2.672 -2.671 -2.857) 4.737 47.502 ( 1.304 1.298 -0.780) 1.998 47.657 ( -1.704 -1.690 0.086) 2.401 47.784 ( 0.310 0.282 0.106) 0.432 47.808 ( -0.198 -0.179 -0.694) 0.743 95.652 ( 0.594 0.596 0.739) 1.120 95.707 ( 0.743 0.740 -0.044) 1.049 95.726 ( -0.636 -0.632 -0.559) 1.056 95.793 ( -0.693 -0.697 0.871) 1.313 98.028 ( -0.551 -0.570 -0.038) 0.794 98.038 ( -0.603 -0.587 -0.114) 0.850 98.104 ( 0.457 0.453 0.143) 0.660 98.133 ( 0.003 0.005 0.027) 0.028 98.431 ( 2.125 1.915 0.481) 2.901 98.482 ( 1.902 2.436 -0.533) 3.136 98.572 ( -0.818 -1.280 0.608) 1.636 98.702 ( -2.355 -2.213 -0.819) 3.334 ======================= Grid point 113 (21/45) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 1.670 -1.385 1.208) 2.483 1.376 ( -1.569 -0.113 1.340) 2.066 1.445 ( 5.016 -1.073 -2.107) 5.546 1.483 ( 3.840 1.380 0.980) 4.196 1.584 ( -2.594 4.916 -5.133) 7.567 1.768 ( 4.846 -5.516 5.003) 8.885 1.809 ( 2.434 1.465 -0.996) 3.010 1.875 ( -2.896 -0.091 0.516) 2.943 1.920 ( -1.004 -0.312 -0.122) 1.058 2.145 ( -2.681 -1.514 1.794) 3.563 2.420 ( 2.095 0.418 -1.046) 2.379 2.531 ( 6.281 -2.533 3.292) 7.531 2.656 ( -3.414 0.118 -1.304) 3.656 2.703 ( -4.132 -0.409 0.896) 4.247 2.996 ( 6.810 1.497 0.203) 6.976 3.076 ( 4.606 0.189 2.228) 5.120 3.137 ( -2.670 -2.992 -4.866) 6.306 3.194 ( -3.091 -0.166 0.199) 3.101 3.238 ( -2.572 2.286 2.582) 4.302 3.418 ( -7.506 -3.366 2.534) 8.607 5.029 ( 2.517 1.047 -1.038) 2.917 5.165 ( -0.036 -0.339 0.175) 0.383 5.183 ( 2.526 -1.123 1.244) 3.032 5.268 ( -0.804 2.123 -1.903) 2.962 5.310 ( 2.427 0.749 -0.748) 2.647 5.386 ( -0.760 -2.024 0.293) 2.181 5.411 ( -0.813 -0.114 2.181) 2.330 5.454 ( -3.980 -0.537 0.018) 4.016 10.152 ( 1.844 0.148 -0.136) 1.854 10.227 ( -1.321 0.230 -0.251) 1.364 10.258 ( -0.194 -0.010 0.006) 0.194 10.268 ( -0.520 -0.293 0.301) 0.669 10.759 ( 5.709 0.299 -0.170) 5.720 10.819 ( 2.249 0.515 -0.716) 2.416 10.922 ( -4.248 3.698 -3.595) 6.682 11.028 ( -3.289 -2.924 2.899) 5.269 16.749 ( 0.695 0.497 -0.497) 0.988 16.781 ( 0.725 -0.889 0.888) 1.451 16.808 ( -0.742 0.002 -0.001) 0.742 16.825 ( -0.795 -0.100 0.100) 0.807 21.620 ( 1.701 -0.098 0.127) 1.709 21.710 ( -2.101 0.474 -0.507) 2.213 21.968 ( 1.441 1.360 -1.281) 2.360 22.023 ( -0.228 -1.062 0.943) 1.438 22.093 ( -0.072 -0.122 0.157) 0.211 22.141 ( -1.358 -0.663 0.668) 1.652 22.395 ( 1.245 0.045 -0.040) 1.246 22.438 ( -0.746 0.356 -0.357) 0.900 36.847 ( 0.033 0.292 -0.284) 0.408 36.851 ( -0.267 0.047 -0.054) 0.276 36.962 ( 2.814 1.019 -1.018) 3.161 37.096 ( -1.924 -0.480 0.479) 2.040 46.644 ( 0.310 0.031 -0.019) 0.312 46.651 ( 0.035 0.129 -0.141) 0.194 46.860 ( 2.051 0.144 -0.144) 2.061 46.975 ( -2.345 -0.270 0.269) 2.376 47.506 ( 2.154 1.360 -1.357) 2.886 47.644 ( -2.673 -1.163 1.158) 3.137 47.791 ( 0.521 0.096 -0.069) 0.535 47.799 ( 0.089 0.244 -0.268) 0.374 95.664 ( 0.728 0.006 -0.007) 0.728 95.712 ( -0.402 0.017 0.010) 0.403 95.715 ( 0.675 0.313 -0.340) 0.819 95.794 ( -1.499 -0.858 0.860) 1.929 98.024 ( -0.470 -0.325 0.332) 0.661 98.033 ( -0.813 -0.214 0.208) 0.866 98.108 ( 0.736 0.155 -0.153) 0.767 98.133 ( -0.226 -0.009 0.007) 0.226 98.451 ( 3.379 0.914 -0.758) 3.581 98.492 ( 1.084 2.605 -2.957) 4.087 98.571 ( 0.377 -2.347 2.629) 3.544 98.677 ( -3.728 -0.560 0.473) 3.799 ======================= Grid point 118 (22/45) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 18.439 3.298 -0.000) 18.731 0.892 ( 17.533 -2.741 -0.000) 17.746 1.310 ( 19.915 -7.475 -0.000) 21.272 1.554 ( 2.975 -1.006 -0.000) 3.140 1.577 ( 5.124 1.948 -0.000) 5.482 1.782 ( -0.516 1.546 0.000) 1.630 1.892 ( 0.380 -0.187 -0.000) 0.423 1.953 ( 1.435 8.086 0.000) 8.212 1.992 ( 3.358 4.285 0.000) 5.444 2.035 ( 7.630 5.179 -0.000) 9.222 2.182 ( -0.028 -3.683 -0.000) 3.683 2.277 ( 4.284 -2.636 -0.000) 5.030 2.330 ( 9.598 -12.992 -0.000) 16.153 2.479 ( 2.963 -9.278 -0.000) 9.740 2.769 ( 8.873 3.252 -0.000) 9.450 2.884 ( -0.849 -0.872 0.000) 1.217 2.945 ( 7.694 -0.839 -0.000) 7.740 3.118 ( 1.331 -6.666 -0.000) 6.798 3.330 ( -2.119 -3.869 -0.000) 4.411 3.653 ( 2.565 7.836 0.000) 8.245 4.966 ( 2.329 -0.561 -0.000) 2.396 5.061 ( 1.686 0.173 -0.000) 1.695 5.094 ( -2.681 -0.801 0.000) 2.798 5.237 ( 2.110 0.009 -0.000) 2.110 5.325 ( -0.154 0.665 0.000) 0.682 5.371 ( 1.177 -1.804 -0.000) 2.154 5.455 ( -0.595 -0.827 -0.000) 1.019 5.528 ( 1.820 1.508 -0.000) 2.364 10.165 ( -0.941 0.832 0.000) 1.257 10.241 ( -0.810 -0.498 0.000) 0.950 10.264 ( 0.178 -0.243 -0.000) 0.301 10.279 ( 0.591 0.069 -0.000) 0.595 10.861 ( -5.214 1.899 0.000) 5.549 10.915 ( -4.698 2.287 0.000) 5.225 11.021 ( -2.171 -0.298 0.000) 2.192 11.125 ( -4.272 -0.002 0.000) 4.272 16.740 ( 0.903 0.656 -0.000) 1.116 16.754 ( 1.044 0.504 -0.000) 1.160 16.773 ( 1.386 -1.063 -0.000) 1.747 16.784 ( 1.449 -1.138 -0.000) 1.842 21.579 ( -1.619 -0.015 0.000) 1.619 21.807 ( 0.740 -0.005 -0.000) 0.740 21.989 ( -2.361 -0.521 0.000) 2.418 22.049 ( -3.413 2.003 0.000) 3.958 22.111 ( 0.411 -0.342 -0.000) 0.535 22.204 ( 1.428 1.339 -0.000) 1.958 22.338 ( 0.255 -0.763 -0.000) 0.804 22.405 ( 0.981 -0.860 -0.000) 1.304 36.888 ( -2.945 0.101 0.000) 2.946 36.894 ( -2.026 0.050 0.000) 2.026 36.949 ( -0.453 1.098 0.000) 1.188 37.147 ( -1.022 -0.188 0.000) 1.039 46.617 ( -0.192 -0.343 -0.000) 0.394 46.647 ( 0.316 0.025 -0.000) 0.317 46.694 ( 2.688 -0.863 -0.000) 2.824 47.253 ( -5.371 2.788 0.000) 6.051 47.469 ( -2.518 -0.889 0.000) 2.670 47.657 ( 2.506 -0.503 -0.000) 2.556 47.822 ( -1.897 0.309 0.000) 1.922 47.843 ( -1.151 0.704 0.000) 1.349 95.622 ( 0.584 -0.135 -0.000) 0.600 95.683 ( -0.262 0.060 0.000) 0.269 95.751 ( 0.118 0.065 -0.000) 0.135 95.764 ( 3.133 -0.641 -0.000) 3.198 98.075 ( 0.362 1.100 0.000) 1.158 98.078 ( 0.023 0.654 0.000) 0.655 98.092 ( 0.126 -0.056 -0.000) 0.138 98.110 ( 0.149 -0.751 -0.000) 0.765 98.357 ( 1.759 -0.515 -0.000) 1.833 98.388 ( -3.913 -0.899 0.000) 4.015 98.594 ( 1.062 -0.486 -0.000) 1.168 98.806 ( -0.595 1.128 0.000) 1.276 ======================= Grid point 119 (23/45) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 18.666 -0.000 -2.964) 18.900 0.874 ( 17.346 -0.000 2.149) 17.478 1.313 ( 20.183 -0.000 7.840) 21.652 1.542 ( 2.526 -0.000 -0.862) 2.669 1.590 ( 5.564 -0.000 0.047) 5.564 1.786 ( -1.406 0.000 -1.371) 1.964 1.868 ( -0.614 -0.000 -3.004) 3.066 1.947 ( 4.029 -0.000 -7.453) 8.473 1.996 ( 2.602 -0.000 -2.883) 3.883 2.059 ( 6.275 -0.000 -5.487) 8.335 2.185 ( 0.253 0.000 3.606) 3.615 2.269 ( 11.714 -0.000 9.250) 14.926 2.342 ( 2.304 0.000 7.228) 7.586 2.474 ( 4.033 0.000 10.437) 11.190 2.737 ( 4.855 -0.000 -6.148) 7.834 2.913 ( 8.710 -0.000 4.659) 9.878 2.994 ( 6.793 -0.000 1.989) 7.078 3.078 ( -4.630 0.000 5.205) 6.966 3.304 ( -1.115 0.000 -0.001) 1.115 3.671 ( 2.504 -0.000 -5.303) 5.864 4.959 ( 2.291 -0.000 0.064) 2.292 5.052 ( 0.672 -0.000 -0.887) 1.113 5.115 ( -1.866 0.000 2.431) 3.064 5.231 ( 2.180 -0.000 -0.451) 2.226 5.345 ( 0.238 0.000 0.652) 0.694 5.349 ( 0.896 -0.000 0.136) 0.906 5.449 ( -0.507 0.000 0.112) 0.519 5.535 ( 1.782 -0.000 -0.549) 1.864 10.164 ( -0.997 0.000 -0.909) 1.349 10.243 ( -0.793 0.000 0.710) 1.065 10.263 ( 0.279 -0.000 0.103) 0.298 10.279 ( 0.558 -0.000 -0.025) 0.559 10.855 ( -5.868 0.000 -2.602) 6.419 10.925 ( -3.593 0.000 -1.174) 3.780 11.013 ( -2.875 0.000 -0.411) 2.905 11.128 ( -4.049 0.000 0.260) 4.057 16.740 ( 0.887 -0.000 -0.645) 1.097 16.755 ( 1.073 -0.000 -0.550) 1.205 16.772 ( 1.378 -0.000 1.119) 1.775 16.784 ( 1.444 -0.000 1.117) 1.825 21.577 ( -1.712 0.000 -0.222) 1.726 21.807 ( 0.925 -0.000 -0.054) 0.927 21.990 ( -3.696 0.000 0.420) 3.719 22.057 ( -1.322 0.000 -1.180) 1.772 22.111 ( -0.565 0.000 0.679) 0.883 22.195 ( 1.544 -0.000 -2.235) 2.717 22.345 ( 0.241 0.000 1.271) 1.294 22.401 ( 1.006 -0.000 0.486) 1.117 36.886 ( -2.878 0.000 -0.239) 2.887 36.895 ( -2.089 0.000 0.054) 2.090 36.949 ( -0.464 -0.000 -1.088) 1.183 37.148 ( -1.016 0.000 0.210) 1.037 46.617 ( -0.204 0.000 0.284) 0.350 46.648 ( 0.324 -0.000 0.065) 0.330 46.693 ( 2.692 -0.000 0.833) 2.818 47.254 ( -5.368 0.000 -2.772) 6.042 47.469 ( -2.525 0.000 0.842) 2.662 47.657 ( 2.536 -0.000 0.566) 2.598 47.821 ( -1.954 0.000 -0.444) 2.003 47.844 ( -1.119 0.000 -0.602) 1.271 95.621 ( 0.591 -0.000 0.128) 0.605 95.684 ( -0.283 0.000 -0.007) 0.283 95.751 ( 0.115 -0.000 -0.066) 0.133 95.764 ( 3.150 -0.000 0.598) 3.206 98.071 ( 0.302 -0.000 -1.211) 1.249 98.081 ( 0.043 -0.000 -0.640) 0.642 98.091 ( 0.083 -0.000 0.078) 0.114 98.111 ( 0.212 0.000 0.797) 0.824 98.350 ( 0.703 -0.000 -0.005) 0.703 98.400 ( -2.780 0.000 2.076) 3.470 98.585 ( 0.876 -0.000 -0.562) 1.041 98.810 ( -0.467 -0.000 -0.711) 0.851 ======================= Grid point 128 (24/45) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 16.756 1.110 -0.000) 16.792 1.149 ( 13.744 -3.602 -0.000) 14.208 1.500 ( 3.033 5.093 0.000) 5.928 1.592 ( 2.987 2.848 -0.000) 4.127 1.633 ( 5.303 -2.534 -0.000) 5.877 1.793 ( 1.426 -0.963 -0.000) 1.721 1.826 ( 0.774 8.884 0.000) 8.918 1.905 ( -0.053 -0.296 -0.000) 0.300 1.994 ( 5.398 4.100 -0.000) 6.778 2.061 ( 7.622 6.491 -0.000) 10.011 2.216 ( -0.211 -3.720 -0.000) 3.726 2.366 ( 1.155 -7.026 -0.000) 7.120 2.568 ( 6.537 -3.094 -0.000) 7.232 2.723 ( 6.345 -6.817 -0.000) 9.313 2.790 ( -2.647 -4.366 -0.000) 5.106 2.955 ( 10.177 -1.340 -0.000) 10.265 3.082 ( 6.398 -4.225 -0.000) 7.667 3.225 ( 4.042 1.068 -0.000) 4.181 3.319 ( -4.850 -3.727 0.000) 6.116 3.606 ( 5.273 5.290 -0.000) 7.469 4.992 ( 0.536 1.298 0.000) 1.404 5.057 ( 0.865 -0.398 -0.000) 0.952 5.116 ( 1.150 -2.150 -0.000) 2.438 5.271 ( 2.356 -0.099 -0.000) 2.358 5.304 ( -1.254 1.146 0.000) 1.699 5.401 ( -0.226 -1.392 -0.000) 1.410 5.459 ( 0.516 0.435 -0.000) 0.675 5.530 ( 0.952 0.475 -0.000) 1.064 10.137 ( -0.781 1.406 0.000) 1.609 10.239 ( -0.963 -1.046 -0.000) 1.421 10.268 ( -0.026 -0.222 -0.000) 0.223 10.285 ( 0.387 0.043 -0.000) 0.390 10.741 ( -4.832 4.733 0.000) 6.764 10.819 ( -4.305 1.464 0.000) 4.547 11.017 ( -1.441 -1.973 -0.000) 2.443 11.075 ( -4.286 -1.352 0.000) 4.494 16.743 ( 0.925 0.736 -0.000) 1.182 16.761 ( 1.012 0.606 -0.000) 1.179 16.806 ( 1.170 -0.962 -0.000) 1.515 16.819 ( 1.292 -0.996 -0.000) 1.631 21.571 ( -0.209 -0.551 -0.000) 0.589 21.791 ( -2.529 0.273 0.000) 2.543 21.971 ( -3.430 0.461 0.000) 3.460 21.992 ( 1.025 0.700 -0.000) 1.241 22.124 ( 1.079 0.137 -0.000) 1.088 22.198 ( 1.072 1.764 0.000) 2.064 22.350 ( -0.001 -0.466 -0.000) 0.466 22.427 ( -0.297 -1.728 -0.000) 1.753 36.846 ( -3.610 -0.864 0.000) 3.711 36.871 ( -0.992 0.312 0.000) 1.039 36.925 ( -0.280 1.524 0.000) 1.550 37.136 ( -1.241 -0.507 0.000) 1.341 46.622 ( -0.091 -0.661 -0.000) 0.667 46.649 ( -0.033 0.067 0.000) 0.075 46.751 ( 3.170 -1.518 -0.000) 3.514 47.140 ( -4.456 3.664 0.000) 5.769 47.449 ( -2.833 -1.522 0.000) 3.216 47.692 ( 1.709 -0.472 -0.000) 1.773 47.795 ( -1.429 0.203 0.000) 1.443 47.814 ( -1.234 1.070 0.000) 1.633 95.637 ( 1.056 -0.297 -0.000) 1.097 95.681 ( -0.089 -0.004 0.000) 0.089 95.747 ( -0.207 0.302 0.000) 0.366 95.811 ( 2.622 -0.297 -0.000) 2.638 98.066 ( 0.534 1.106 0.000) 1.228 98.070 ( 0.071 0.584 0.000) 0.588 98.089 ( -0.170 0.399 0.000) 0.434 98.123 ( 0.135 -0.772 -0.000) 0.784 98.357 ( -3.818 -2.342 0.000) 4.479 98.392 ( 2.071 -0.648 -0.000) 2.170 98.607 ( 1.016 0.725 -0.000) 1.248 98.780 ( -0.835 0.982 0.000) 1.289 ======================= Grid point 129 (25/45) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 15.980 1.283 0.071) 16.031 1.112 ( 14.933 -1.663 0.123) 15.026 1.540 ( 6.480 0.210 1.413) 6.636 1.593 ( 6.191 -1.645 -0.513) 6.426 1.645 ( 4.415 2.808 -0.247) 5.238 1.763 ( -0.610 0.163 -2.873) 2.942 1.866 ( 0.356 -1.130 -2.595) 2.853 1.950 ( 0.933 5.274 -1.408) 5.538 1.999 ( 6.051 6.600 -6.467) 11.045 2.093 ( 2.359 0.451 -2.272) 3.307 2.295 ( 2.554 -4.824 -0.200) 5.462 2.361 ( 10.018 7.382 13.376) 18.270 2.429 ( 6.733 -10.568 -1.908) 12.675 2.655 ( 9.961 -5.810 5.873) 12.941 2.746 ( -4.356 -0.206 -1.643) 4.660 3.007 ( 7.354 0.619 5.890) 9.442 3.057 ( 5.543 -0.933 1.533) 5.826 3.173 ( 5.427 -7.036 -0.556) 8.903 3.290 ( -1.037 1.134 -1.414) 2.088 3.664 ( 2.467 4.395 -2.567) 5.656 5.001 ( 2.841 -0.122 0.042) 2.844 5.044 ( -1.202 0.109 -1.382) 1.835 5.115 ( 1.339 -0.842 2.454) 2.920 5.267 ( 1.827 -0.856 -0.149) 2.023 5.323 ( -0.938 1.240 0.817) 1.757 5.381 ( 0.934 -0.850 -0.684) 1.436 5.450 ( 0.276 -0.611 -0.186) 0.696 5.543 ( 0.788 1.275 -0.375) 1.545 10.148 ( -0.721 0.643 -0.832) 1.275 10.232 ( -1.099 -0.409 0.702) 1.367 10.266 ( 0.035 -0.066 0.062) 0.098 10.285 ( 0.346 0.050 -0.043) 0.352 10.763 ( -5.409 1.651 -2.976) 6.390 10.861 ( -4.059 1.782 0.600) 4.474 10.976 ( -3.598 -1.322 -0.477) 3.863 11.073 ( -4.154 -0.686 1.319) 4.412 16.748 ( 0.987 0.616 -0.629) 1.322 16.776 ( 1.309 0.110 0.036) 1.314 16.786 ( 1.482 -0.104 -0.021) 1.486 16.814 ( 1.316 -0.946 0.936) 1.871 21.564 ( -0.658 -0.603 0.203) 0.916 21.797 ( -2.061 0.756 -0.256) 2.211 21.951 ( -2.814 -0.985 -0.920) 3.121 22.030 ( -0.218 1.603 1.428) 2.158 22.119 ( 1.120 -0.177 -0.478) 1.230 22.207 ( 1.333 1.203 -1.935) 2.640 22.351 ( 0.059 -0.515 1.080) 1.198 22.410 ( -0.552 -0.945 0.543) 1.222 36.839 ( -3.996 -0.551 0.475) 4.062 36.874 ( -1.117 0.192 -0.146) 1.142 36.938 ( -0.455 0.724 -0.727) 1.123 37.131 ( -1.497 -0.232 0.262) 1.538 46.617 ( -0.162 -0.411 0.335) 0.555 46.650 ( -0.051 0.023 0.082) 0.099 46.740 ( 3.323 -0.778 0.750) 3.494 47.168 ( -4.692 2.219 -2.197) 5.636 47.436 ( -3.343 -1.157 1.100) 3.705 47.689 ( 1.936 -0.117 0.251) 1.956 47.794 ( -1.725 0.159 -0.414) 1.781 47.824 ( -1.276 0.492 -0.335) 1.408 95.634 ( 1.134 -0.146 0.154) 1.154 95.682 ( -0.125 -0.071 0.100) 0.175 95.749 ( -0.151 0.190 -0.190) 0.309 95.808 ( 3.055 -0.068 0.034) 3.056 98.071 ( 0.315 0.614 -0.927) 1.156 98.076 ( 0.251 0.816 -0.630) 1.061 98.093 ( 0.034 0.025 -0.100) 0.108 98.117 ( 0.071 -0.494 0.630) 0.803 98.336 ( -3.519 -1.333 0.929) 3.876 98.397 ( 1.580 -0.334 1.503) 2.206 98.602 ( 0.923 -0.549 -0.779) 1.327 98.792 ( -0.817 1.235 -0.612) 1.602 ======================= Grid point 130 (26/45) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 17.092 -0.000 -1.751) 17.182 1.129 ( 13.673 -0.000 4.120) 14.281 1.511 ( 1.247 -0.000 -6.146) 6.271 1.596 ( 8.407 -0.000 1.576) 8.553 1.659 ( 5.535 -0.000 0.357) 5.546 1.723 ( -4.011 0.000 -3.075) 5.054 1.810 ( 0.652 -0.000 -4.362) 4.411 1.918 ( 3.477 -0.000 -2.719) 4.414 1.997 ( 2.966 -0.000 -3.290) 4.429 2.063 ( 4.751 -0.000 -4.365) 6.452 2.251 ( 4.612 -0.000 2.941) 5.470 2.378 ( -3.125 0.000 4.604) 5.564 2.583 ( 12.746 -0.000 5.746) 13.981 2.719 ( 1.501 0.000 4.477) 4.722 2.749 ( 4.714 0.000 6.890) 8.349 3.050 ( 4.611 -0.000 -2.455) 5.224 3.094 ( -1.371 0.000 3.161) 3.446 3.127 ( 6.448 -0.000 5.510) 8.482 3.286 ( 1.869 -0.000 -0.642) 1.976 3.646 ( 3.366 -0.000 -3.777) 5.060 5.004 ( 2.666 -0.000 -0.084) 2.667 5.023 ( -0.896 0.000 -0.639) 1.100 5.138 ( 0.599 0.000 1.417) 1.539 5.263 ( 1.369 -0.000 0.953) 1.668 5.341 ( 0.370 -0.000 -1.873) 1.910 5.362 ( -0.303 0.000 1.150) 1.190 5.450 ( 0.323 -0.000 0.137) 0.351 5.546 ( 0.832 -0.000 -0.376) 0.913 10.134 ( -0.900 -0.000 -1.393) 1.658 10.244 ( -0.845 0.000 1.064) 1.358 10.268 ( 0.103 0.000 0.288) 0.306 10.285 ( 0.371 -0.000 -0.082) 0.380 10.721 ( -5.437 0.000 -4.269) 6.913 10.847 ( -3.548 0.000 -2.432) 4.301 10.995 ( -2.383 0.000 2.448) 3.416 11.087 ( -3.610 0.000 1.322) 3.845 16.743 ( 0.915 -0.000 -0.720) 1.164 16.761 ( 1.024 -0.000 -0.644) 1.210 16.806 ( 1.176 -0.000 1.001) 1.545 16.819 ( 1.283 -0.000 0.980) 1.615 21.564 ( -0.418 0.000 0.441) 0.607 21.801 ( -1.643 0.000 -0.076) 1.645 21.932 ( -3.395 0.000 -0.706) 3.467 22.047 ( 0.739 -0.000 -0.677) 1.003 22.116 ( 0.398 -0.000 0.106) 0.411 22.186 ( 1.393 -0.000 -1.701) 2.199 22.355 ( -0.122 0.000 0.094) 0.154 22.423 ( -0.239 0.000 1.930) 1.945 36.844 ( -3.496 0.000 0.779) 3.582 36.872 ( -1.097 0.000 -0.231) 1.121 36.925 ( -0.292 -0.000 -1.523) 1.551 37.137 ( -1.238 0.000 0.509) 1.339 46.621 ( -0.111 0.000 0.597) 0.607 46.651 ( -0.020 0.000 -0.003) 0.020 46.750 ( 3.174 -0.000 1.517) 3.518 47.141 ( -4.453 0.000 -3.667) 5.768 47.448 ( -2.834 0.000 1.511) 3.212 47.695 ( 1.852 -0.000 0.566) 1.937 47.789 ( -1.699 0.000 -0.527) 1.779 47.818 ( -1.107 0.000 -0.826) 1.381 95.637 ( 1.086 -0.000 0.304) 1.128 95.681 ( -0.138 0.000 -0.002) 0.138 95.747 ( -0.202 -0.000 -0.301) 0.362 95.811 ( 2.636 -0.000 0.295) 2.653 98.061 ( 0.509 -0.000 -1.020) 1.140 98.073 ( 0.046 -0.000 -0.640) 0.641 98.089 ( -0.143 -0.000 -0.361) 0.388 98.124 ( 0.122 0.000 0.702) 0.713 98.346 ( -2.277 0.000 1.668) 2.822 98.419 ( 0.540 0.000 1.851) 1.928 98.581 ( 0.851 -0.000 -1.438) 1.671 98.792 ( -0.643 -0.000 -0.796) 1.023 ======================= Grid point 138 (27/45) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 14.363 -0.354 -0.000) 14.368 1.339 ( 5.462 0.821 -0.000) 5.523 1.414 ( 5.536 8.276 0.000) 9.956 1.548 ( -2.656 4.471 0.000) 5.200 1.673 ( 1.826 3.625 0.000) 4.059 1.726 ( 1.739 2.307 0.000) 2.889 1.858 ( -1.105 -0.259 0.000) 1.134 1.918 ( 4.978 0.884 -0.000) 5.056 2.001 ( 3.446 4.540 0.000) 5.700 2.069 ( 5.985 5.736 -0.000) 8.290 2.273 ( 1.053 -3.406 -0.000) 3.565 2.517 ( 3.015 -8.764 -0.000) 9.269 2.562 ( -3.431 2.890 0.000) 4.486 2.801 ( 1.391 -5.407 -0.000) 5.583 2.896 ( 2.938 0.443 -0.000) 2.971 3.040 ( 3.589 4.829 0.000) 6.017 3.143 ( -1.681 2.915 0.000) 3.365 3.226 ( 1.820 -4.373 -0.000) 4.737 3.374 ( 3.523 -0.599 -0.000) 3.574 3.634 ( 4.616 2.167 -0.000) 5.100 4.969 ( 0.244 1.302 0.000) 1.324 5.086 ( 1.288 -0.066 -0.000) 1.290 5.160 ( 0.588 -1.628 -0.000) 1.731 5.266 ( -0.420 1.130 0.000) 1.205 5.302 ( 1.560 0.120 -0.000) 1.565 5.398 ( -1.597 -0.213 0.000) 1.611 5.458 ( 1.314 1.335 -0.000) 1.873 5.541 ( 0.165 -0.719 -0.000) 0.738 10.112 ( -0.139 1.118 0.000) 1.127 10.243 ( -1.043 -1.420 -0.000) 1.762 10.270 ( -0.063 -0.233 -0.000) 0.242 10.287 ( 0.052 0.036 -0.000) 0.063 10.636 ( -2.006 2.844 0.000) 3.481 10.770 ( -1.679 -0.319 0.000) 1.709 11.020 ( -2.533 -1.887 0.000) 3.159 11.051 ( -3.061 -2.831 0.000) 4.169 16.745 ( 0.876 0.802 -0.000) 1.187 16.765 ( 0.911 0.745 -0.000) 1.176 16.827 ( 0.499 -0.343 -0.000) 0.606 16.841 ( 0.605 -0.266 -0.000) 0.661 21.580 ( 0.260 -0.200 -0.000) 0.328 21.755 ( -2.848 -1.406 0.000) 3.176 21.920 ( -1.988 0.784 0.000) 2.137 22.016 ( 2.199 0.028 -0.000) 2.199 22.130 ( 0.946 1.037 0.000) 1.404 22.191 ( 0.932 1.248 0.000) 1.557 22.351 ( -0.386 -0.273 0.000) 0.473 22.442 ( -1.219 -1.795 -0.000) 2.169 36.819 ( -3.042 -1.935 0.000) 3.606 36.860 ( -0.283 0.089 0.000) 0.297 36.906 ( 0.263 1.114 0.000) 1.145 37.129 ( -1.145 -0.871 0.000) 1.438 46.630 ( -0.224 -0.591 -0.000) 0.632 46.646 ( -0.208 -0.056 0.000) 0.215 46.810 ( 2.292 -0.937 -0.000) 2.476 47.048 ( -2.131 2.360 0.000) 3.180 47.436 ( -2.684 -2.138 0.000) 3.431 47.716 ( 1.077 -0.185 -0.000) 1.093 47.779 ( -1.152 0.050 0.000) 1.153 47.787 ( -0.339 0.511 0.000) 0.614 95.653 ( 0.887 0.047 -0.000) 0.888 95.680 ( -0.038 -0.014 0.000) 0.041 95.740 ( -0.202 0.249 0.000) 0.321 95.839 ( 1.674 0.594 -0.000) 1.776 98.059 ( 0.599 0.935 0.000) 1.110 98.066 ( 0.263 0.402 0.000) 0.481 98.082 ( -0.044 0.288 0.000) 0.291 98.132 ( -0.117 -0.471 -0.000) 0.486 98.344 ( -3.471 -3.016 0.000) 4.599 98.427 ( 1.383 -0.777 -0.000) 1.587 98.599 ( 1.086 2.532 0.000) 2.755 98.765 ( -0.422 -0.215 0.000) 0.473 ======================= Grid point 139 (28/45) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 13.928 0.484 0.750) 13.957 1.312 ( 10.982 -1.792 -0.614) 11.145 1.531 ( 0.782 5.378 -0.448) 5.453 1.599 ( -0.332 5.230 -0.715) 5.289 1.685 ( 1.460 -0.531 -0.585) 1.660 1.769 ( 1.194 1.434 -3.219) 3.721 1.859 ( 2.188 5.296 -1.849) 6.021 1.922 ( 2.959 0.253 0.245) 2.980 2.010 ( 6.582 5.969 -6.679) 11.116 2.140 ( 2.971 -1.358 -0.378) 3.288 2.349 ( 6.083 3.984 6.935) 10.048 2.432 ( 4.803 -3.921 6.494) 8.978 2.605 ( -2.184 0.918 0.288) 2.387 2.710 ( 0.977 -7.063 -0.871) 7.183 2.846 ( 7.302 -3.955 -1.478) 8.435 3.082 ( 4.739 1.365 1.159) 5.066 3.160 ( 1.729 -2.924 -0.995) 3.540 3.223 ( 0.722 5.289 0.168) 5.341 3.334 ( 6.304 -3.196 -1.098) 7.153 3.653 ( 3.629 3.230 -2.187) 5.328 4.993 ( -0.448 1.524 -0.013) 1.589 5.075 ( 2.887 -1.059 -0.094) 3.076 5.156 ( 1.675 -1.634 2.254) 3.249 5.283 ( -1.419 1.955 0.020) 2.416 5.297 ( 0.465 -0.967 -0.539) 1.201 5.392 ( 0.424 0.166 -0.264) 0.526 5.468 ( 0.950 -0.030 -0.494) 1.071 5.531 ( -0.022 0.714 -0.738) 1.027 10.130 ( -0.149 0.986 0.001) 0.998 10.225 ( -1.319 -0.983 0.203) 1.658 10.265 ( -0.224 -0.132 -0.159) 0.305 10.287 ( 0.020 0.060 -0.110) 0.127 10.681 ( -2.803 2.014 -0.186) 3.457 10.783 ( -3.487 1.070 1.740) 4.041 10.950 ( -4.040 -2.486 -3.339) 5.801 11.043 ( -3.192 -2.171 2.477) 4.586 16.752 ( 0.952 0.770 -0.589) 1.359 16.784 ( 1.304 0.996 0.832) 1.840 16.814 ( 1.148 -0.734 -0.779) 1.569 16.838 ( 0.747 -0.372 0.260) 0.874 21.576 ( 0.460 -1.106 0.588) 1.334 21.742 ( -3.943 0.320 -0.474) 3.984 21.926 ( -2.053 -0.013 -0.502) 2.113 22.028 ( 2.098 0.645 1.293) 2.547 22.135 ( 1.329 0.528 -0.851) 1.664 22.203 ( 1.084 1.548 -1.232) 2.256 22.355 ( -0.372 -0.305 1.093) 1.194 22.414 ( -1.651 -1.959 0.168) 2.567 36.800 ( -3.720 -1.580 0.822) 4.125 36.861 ( -0.447 0.156 -0.116) 0.488 36.921 ( -0.222 0.883 -0.104) 0.916 37.117 ( -1.590 -0.763 0.084) 1.766 46.623 ( -0.126 -0.703 0.342) 0.792 46.646 ( -0.457 -0.019 0.102) 0.469 46.800 ( 3.295 -1.045 0.586) 3.506 47.077 ( -3.222 2.811 -1.454) 4.517 47.411 ( -3.566 -2.239 1.117) 4.356 47.712 ( 1.349 0.099 -0.225) 1.372 47.775 ( -1.017 -0.174 -0.296) 1.074 47.799 ( -1.118 0.603 0.107) 1.275 95.653 ( 1.256 -0.082 0.103) 1.263 95.682 ( -0.014 -0.081 0.216) 0.231 95.742 ( -0.332 0.365 -0.288) 0.571 95.843 ( 2.402 0.523 -0.445) 2.499 98.065 ( 0.258 0.765 -0.723) 1.084 98.070 ( 0.535 0.900 -0.729) 1.275 98.091 ( -0.000 0.252 0.359) 0.439 98.125 ( -0.059 -0.604 0.224) 0.647 98.313 ( -3.956 -2.879 1.568) 5.137 98.427 ( 1.974 -0.125 0.699) 2.097 98.619 ( 1.091 0.375 -0.317) 1.196 98.762 ( -0.871 1.012 -0.871) 1.594 ======================= Grid point 140 (29/45) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 13.800 -0.028 -0.386) 13.805 1.304 ( 11.441 0.062 1.747) 11.573 1.522 ( 0.017 -0.124 -5.568) 5.569 1.638 ( -2.930 2.269 -4.990) 6.216 1.674 ( 2.862 1.373 -0.911) 3.302 1.739 ( 4.743 1.617 -0.278) 5.019 1.834 ( 1.337 -1.258 -4.659) 5.007 1.954 ( 1.417 0.479 -0.007) 1.496 1.999 ( 6.666 6.931 -6.454) 11.582 2.133 ( 5.079 0.525 -0.565) 5.137 2.349 ( 2.696 -3.970 1.965) 5.185 2.445 ( 4.168 -8.911 -2.509) 10.152 2.660 ( -5.545 1.060 2.780) 6.293 2.701 ( 8.454 4.049 7.759) 12.168 2.825 ( 6.267 0.149 2.193) 6.641 3.094 ( 1.044 -1.308 -2.802) 3.264 3.118 ( 0.686 -2.494 1.338) 2.913 3.216 ( 4.476 -0.883 -0.900) 4.651 3.342 ( 7.686 2.943 0.542) 8.248 3.664 ( 2.405 2.629 -2.369) 4.278 4.999 ( -0.812 0.670 -1.421) 1.769 5.064 ( 3.748 -1.198 0.802) 4.016 5.161 ( 1.082 -1.657 1.390) 2.418 5.273 ( -0.282 -0.170 -0.565) 0.654 5.317 ( -1.500 1.501 0.690) 2.232 5.386 ( 1.701 -0.670 -1.034) 2.100 5.456 ( 0.875 0.138 -0.247) 0.919 5.541 ( -0.241 1.228 -0.309) 1.289 10.127 ( -0.165 -0.186 -1.029) 1.058 10.229 ( -1.294 0.083 1.089) 1.693 10.266 ( -0.246 0.207 0.172) 0.365 10.286 ( 0.023 0.109 -0.083) 0.139 10.667 ( -2.802 -0.888 -2.225) 3.686 10.804 ( -3.519 -0.360 -1.083) 3.700 10.936 ( -3.863 2.149 2.548) 5.102 11.048 ( -3.328 -1.741 2.252) 4.379 16.752 ( 0.952 0.580 -0.768) 1.353 16.784 ( 1.298 -0.811 -1.009) 1.833 16.813 ( 1.152 0.780 0.754) 1.582 16.838 ( 0.750 -0.275 0.364) 0.878 21.570 ( 0.470 -0.979 0.847) 1.378 21.751 ( -3.993 1.205 0.050) 4.171 21.909 ( -1.330 -0.937 -0.487) 1.698 22.053 ( 1.117 0.632 0.127) 1.290 22.127 ( 1.442 0.357 -0.803) 1.689 22.199 ( 1.275 0.851 -1.578) 2.200 22.357 ( -0.449 -0.881 0.172) 1.003 22.413 ( -1.580 -0.331 2.013) 2.581 36.800 ( -3.685 -0.854 1.552) 4.089 36.861 ( -0.471 0.132 -0.137) 0.508 36.921 ( -0.223 0.099 -0.885) 0.917 37.117 ( -1.600 -0.064 0.773) 1.778 46.622 ( -0.108 -0.408 0.631) 0.759 46.648 ( -0.485 -0.020 0.098) 0.495 46.800 ( 3.303 -0.602 1.036) 3.513 47.077 ( -3.225 1.470 -2.806) 4.521 47.411 ( -3.546 -1.154 2.219) 4.339 47.714 ( 1.408 0.456 0.047) 1.481 47.769 ( -1.098 -0.158 -0.170) 1.122 47.802 ( -1.111 0.137 -0.388) 1.185 95.654 ( 1.282 -0.069 0.099) 1.288 95.682 ( -0.058 -0.236 0.069) 0.253 95.742 ( -0.328 0.291 -0.361) 0.568 95.843 ( 2.415 0.430 -0.532) 2.510 98.063 ( 0.449 0.669 -0.920) 1.223 98.071 ( 0.380 0.686 -0.761) 1.093 98.090 ( -0.001 -0.365 -0.247) 0.441 98.126 ( -0.087 -0.187 0.599) 0.634 98.312 ( -3.743 -1.552 2.741) 4.892 98.436 ( 1.440 -0.157 0.717) 1.616 98.603 ( 1.561 -0.660 -1.174) 2.062 98.770 ( -1.026 1.352 -0.652) 1.818 ======================= Grid point 141 (30/45) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 14.132 -0.000 -0.341) 14.136 1.347 ( 8.898 -0.000 2.665) 9.288 1.392 ( 1.501 -0.000 -10.898) 11.001 1.577 ( -3.765 -0.000 -6.743) 7.723 1.651 ( 3.202 -0.000 -2.050) 3.802 1.741 ( 2.493 -0.000 -3.007) 3.906 1.805 ( 1.961 0.000 2.901) 3.502 1.955 ( 1.791 -0.000 0.613) 1.893 1.980 ( 4.852 -0.000 -6.179) 7.856 2.068 ( 4.826 -0.000 -4.548) 6.631 2.317 ( -0.013 -0.000 -0.591) 0.591 2.434 ( 1.860 0.000 6.605) 6.862 2.673 ( -5.652 0.000 -0.307) 5.661 2.799 ( 7.090 -0.000 1.366) 7.220 2.881 ( 1.160 0.000 2.952) 3.172 3.012 ( 1.289 -0.000 -4.232) 4.424 3.120 ( 0.699 0.000 0.940) 1.172 3.239 ( 0.899 0.000 3.244) 3.366 3.365 ( 6.273 -0.000 -0.424) 6.288 3.649 ( 2.868 -0.000 -2.744) 3.969 4.976 ( -0.124 -0.000 -1.878) 1.883 5.071 ( 2.277 -0.000 1.298) 2.621 5.160 ( 0.301 0.000 0.909) 0.957 5.275 ( -0.848 0.000 -0.303) 0.900 5.317 ( 0.779 -0.000 -2.081) 2.222 5.376 ( 0.092 0.000 1.361) 1.364 5.456 ( 0.914 -0.000 -0.579) 1.082 5.549 ( -0.187 0.000 0.045) 0.192 10.110 ( -0.080 -0.000 -0.934) 0.938 10.246 ( -1.128 0.000 1.109) 1.582 10.272 ( -0.152 0.000 0.208) 0.258 10.287 ( 0.085 -0.000 -0.040) 0.094 10.625 ( -1.639 -0.000 -1.853) 2.474 10.782 ( -2.088 0.000 -0.989) 2.310 11.005 ( -2.212 0.000 3.347) 4.012 11.062 ( -3.255 0.000 1.846) 3.742 16.745 ( 0.874 -0.000 -0.794) 1.181 16.765 ( 0.906 -0.000 -0.768) 1.187 16.827 ( 0.491 -0.000 0.342) 0.598 16.841 ( 0.620 -0.000 0.283) 0.681 21.574 ( 0.453 0.000 0.670) 0.809 21.766 ( -3.209 0.000 0.597) 3.264 21.901 ( -0.847 0.000 0.600) 1.038 22.041 ( 0.766 -0.000 -1.987) 2.130 22.124 ( 1.139 -0.000 -0.462) 1.229 22.187 ( 1.173 -0.000 -0.910) 1.484 22.351 ( -0.426 0.000 0.160) 0.455 22.441 ( -1.153 0.000 1.906) 2.228 36.818 ( -2.958 0.000 1.956) 3.547 36.860 ( -0.352 0.000 -0.091) 0.364 36.906 ( 0.266 -0.000 -1.110) 1.141 37.129 ( -1.160 0.000 0.850) 1.438 46.628 ( -0.140 0.000 0.654) 0.669 46.648 ( -0.305 0.000 -0.023) 0.305 46.810 ( 2.304 -0.000 0.955) 2.494 47.048 ( -2.138 -0.000 -2.376) 3.196 47.435 ( -2.649 0.000 2.176) 3.428 47.720 ( 1.032 -0.000 -0.070) 1.035 47.768 ( -0.717 0.000 0.299) 0.776 47.795 ( -0.757 0.000 -0.629) 0.984 95.654 ( 0.895 -0.000 -0.086) 0.899 95.680 ( -0.066 0.000 0.040) 0.078 95.740 ( -0.201 -0.000 -0.254) 0.324 95.839 ( 1.691 -0.000 -0.578) 1.787 98.057 ( 0.714 -0.000 -0.757) 1.041 98.067 ( 0.188 -0.000 -0.474) 0.510 98.082 ( -0.038 -0.000 -0.302) 0.304 98.132 ( -0.138 0.000 0.442) 0.463 98.342 ( -2.935 0.000 2.921) 4.141 98.442 ( -0.005 0.000 0.367) 0.367 98.580 ( 2.267 -0.000 -1.482) 2.708 98.773 ( -0.775 0.000 -0.390) 0.868 ======================= Grid point 147 (31/45) ======================= q-point: (-0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 5.376 4.817 -0.706) 7.253 1.420 ( 6.909 5.145 1.672) 8.775 1.474 ( 0.618 5.883 -0.160) 5.917 1.522 ( 3.571 -0.196 -2.557) 4.396 1.691 ( 1.285 1.999 -2.128) 3.190 1.768 ( 1.587 0.747 -0.435) 1.807 1.824 ( 1.569 3.990 -1.353) 4.496 1.956 ( 1.790 0.288 -0.414) 1.860 2.007 ( 6.197 6.964 -6.670) 11.463 2.173 ( 2.154 2.542 1.435) 3.628 2.373 ( 5.001 3.815 6.730) 9.212 2.504 ( -4.243 3.014 3.456) 6.247 2.566 ( 1.581 -7.609 1.676) 7.950 2.813 ( -0.314 -2.933 -2.206) 3.684 2.908 ( 0.651 3.475 -1.587) 3.876 3.069 ( 2.031 4.755 1.015) 5.269 3.144 ( -0.614 0.175 1.557) 1.683 3.241 ( 2.941 1.969 -1.568) 3.871 3.409 ( 3.221 2.933 -2.451) 4.999 3.660 ( 2.919 2.446 -3.602) 5.242 4.980 ( 0.662 0.388 0.093) 0.773 5.107 ( 1.225 1.597 1.126) 2.306 5.180 ( -0.475 -0.001 2.441) 2.487 5.255 ( 0.484 -0.058 -1.179) 1.276 5.308 ( -0.740 -1.157 -1.264) 1.867 5.394 ( 1.093 1.292 0.867) 1.902 5.466 ( 0.380 1.214 -0.710) 1.457 5.532 ( -0.015 -0.652 -1.239) 1.400 10.120 ( 0.517 0.690 0.743) 1.138 10.225 ( -1.202 -1.504 -0.272) 1.944 10.265 ( -0.257 -0.290 -0.385) 0.547 10.286 ( -0.050 -0.030 -0.095) 0.112 10.639 ( -0.252 0.654 2.476) 2.573 10.759 ( -0.522 -1.737 0.392) 1.856 10.934 ( -4.033 -3.291 -3.743) 6.411 11.039 ( -2.592 -2.881 2.471) 4.596 16.753 ( 0.869 0.872 -0.576) 1.359 16.786 ( 1.186 1.172 0.838) 1.866 16.828 ( 0.145 0.145 -0.434) 0.480 16.845 ( 0.217 0.230 -0.329) 0.456 21.588 ( -0.162 0.349 1.124) 1.188 21.712 ( -2.147 -2.888 -1.130) 3.772 21.904 ( -0.813 0.067 0.468) 0.940 22.051 ( 2.020 0.653 0.366) 2.154 22.136 ( 0.877 1.405 -0.909) 1.890 22.199 ( 1.139 1.291 -0.825) 1.909 22.353 ( -0.476 -0.490 1.290) 1.460 22.417 ( -2.123 -2.071 -0.141) 2.969 36.785 ( -2.781 -2.755 0.968) 4.032 36.857 ( 0.010 -0.004 -0.158) 0.159 36.913 ( 0.352 0.357 0.238) 0.555 37.111 ( -1.287 -1.302 -0.034) 1.831 46.628 ( -0.452 -0.339 0.408) 0.697 46.643 ( -0.346 -0.470 0.035) 0.585 46.837 ( 0.986 1.000 0.450) 1.475 47.028 ( 0.235 0.222 -1.064) 1.112 47.402 ( -3.131 -3.103 1.104) 4.544 47.723 ( 0.859 0.560 -0.846) 1.329 47.766 ( -0.855 -0.209 0.310) 0.933 47.787 ( -0.054 -0.420 0.161) 0.453 95.665 ( 0.675 0.616 0.037) 0.915 95.682 ( -0.082 -0.025 0.312) 0.324 95.736 ( 0.017 0.007 -0.342) 0.343 95.856 ( 1.453 1.463 -0.629) 2.156 98.060 ( 0.562 0.656 -0.721) 1.125 98.067 ( 0.666 0.609 -0.714) 1.150 98.088 ( 0.143 0.167 0.600) 0.639 98.129 ( -0.340 -0.354 0.098) 0.500 98.306 ( -3.639 -3.629 1.630) 5.391 98.447 ( 0.941 0.390 0.286) 1.058 98.615 ( 0.994 2.047 0.431) 2.317 98.752 ( -0.028 -0.585 -1.316) 1.441 ======================= Grid point 149 (32/45) ======================= q-point: (-0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 8.210 0.759 -0.412) 8.256 1.450 ( 10.317 -0.194 -0.323) 10.324 1.498 ( -0.160 3.180 -3.179) 4.499 1.582 ( -0.841 3.450 -2.510) 4.349 1.636 ( -1.538 3.123 -3.720) 5.095 1.759 ( 2.281 1.765 -2.066) 3.548 1.859 ( 2.663 2.104 -2.463) 4.194 1.958 ( 2.024 1.178 -0.556) 2.407 2.009 ( 6.247 5.931 -6.289) 10.666 2.186 ( 1.945 -0.842 0.931) 2.315 2.447 ( 3.479 -3.329 1.423) 5.021 2.522 ( -3.480 0.534 1.054) 3.675 2.626 ( 0.912 -1.268 2.583) 3.019 2.748 ( 3.005 -0.618 1.185) 3.289 2.899 ( 3.154 0.079 -1.085) 3.337 3.115 ( -0.051 -0.341 -0.901) 0.965 3.140 ( 1.184 0.777 -0.385) 1.467 3.269 ( 4.974 2.632 -2.554) 6.180 3.400 ( 6.167 2.632 -2.422) 7.129 3.645 ( 1.948 3.984 -3.844) 5.869 4.984 ( -0.111 0.429 -0.369) 0.577 5.130 ( 2.995 -0.876 0.894) 3.246 5.202 ( 0.922 -1.903 1.570) 2.634 5.262 ( -1.718 0.567 -0.756) 1.961 5.267 ( -1.203 1.315 -0.844) 1.972 5.419 ( 2.350 -0.029 0.401) 2.384 5.461 ( -0.095 0.562 -1.325) 1.442 5.518 ( -0.099 1.053 -0.692) 1.263 10.134 ( 0.476 -0.154 0.065) 0.504 10.210 ( -1.414 -0.385 0.524) 1.556 10.259 ( -0.344 0.008 -0.008) 0.345 10.285 ( -0.053 0.055 -0.060) 0.097 10.670 ( -0.280 -2.001 1.433) 2.477 10.754 ( -3.367 0.154 0.712) 3.445 10.868 ( -2.891 0.019 -0.425) 2.923 11.038 ( -2.812 -2.588 2.650) 4.651 16.755 ( 0.871 0.764 -0.765) 1.388 16.808 ( 0.995 0.067 -0.053) 0.999 16.820 ( 0.929 0.288 -0.298) 1.017 16.843 ( 0.198 0.346 -0.349) 0.530 21.601 ( 1.193 -1.453 1.197) 2.229 21.681 ( -3.937 0.310 0.011) 3.950 21.905 ( -0.580 -0.281 0.016) 0.645 22.065 ( 1.505 0.450 0.040) 1.571 22.136 ( 1.272 1.136 -1.370) 2.188 22.201 ( 1.212 1.180 -1.224) 2.088 22.366 ( -0.348 -1.088 1.095) 1.582 22.393 ( -2.431 -1.185 1.165) 2.945 36.772 ( -3.080 -2.014 2.007) 4.192 36.856 ( 0.011 0.175 -0.171) 0.245 36.918 ( -0.086 0.060 -0.062) 0.122 37.100 ( -1.379 -0.682 0.687) 1.685 46.628 ( -0.069 -0.664 0.614) 0.907 46.639 ( -0.801 -0.129 0.182) 0.831 46.847 ( 2.169 -0.233 0.228) 2.193 47.023 ( -1.072 1.545 -1.541) 2.431 47.387 ( -3.446 -2.468 2.459) 4.901 47.721 ( 1.053 0.923 -0.833) 1.629 47.764 ( -0.585 -0.617 0.429) 0.952 47.788 ( -0.709 -0.005 0.109) 0.717 95.670 ( 0.959 0.187 -0.159) 0.989 95.684 ( -0.089 -0.228 0.200) 0.316 95.733 ( -0.167 0.340 -0.336) 0.506 95.862 ( 1.836 1.115 -1.118) 2.422 98.060 ( 0.454 0.634 -0.669) 1.028 98.066 ( 0.705 0.944 -0.916) 1.492 98.095 ( 0.012 -0.176 0.161) 0.239 98.127 ( -0.221 -0.301 0.307) 0.483 98.292 ( -3.749 -3.010 3.015) 5.675 98.454 ( 1.133 0.269 -0.107) 1.170 98.632 ( 1.359 -0.076 -0.313) 1.397 98.738 ( -0.549 1.166 -0.927) 1.588 ======================= Grid point 202 (33/45) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 2.536 2.536 2.536) 4.393 1.356 ( -2.010 -2.010 -2.010) 3.482 1.459 ( 3.045 3.045 3.045) 5.274 1.521 ( -1.188 -1.188 -1.188) 2.058 1.695 ( 0.688 0.688 0.688) 1.191 1.766 ( -0.443 -0.443 -0.443) 0.768 1.821 ( 4.054 4.054 4.054) 7.021 1.842 ( 1.119 1.119 1.119) 1.938 1.909 ( 0.654 0.654 0.654) 1.132 2.085 ( -4.880 -4.880 -4.880) 8.453 2.463 ( 4.205 4.205 4.205) 7.283 2.588 ( -1.422 -1.422 -1.422) 2.462 2.607 ( 0.630 0.630 0.630) 1.092 2.647 ( 0.164 0.164 0.164) 0.285 3.066 ( 7.566 7.566 7.566) 13.104 3.067 ( -0.625 -0.625 -0.625) 1.082 3.098 ( -0.313 -0.313 -0.313) 0.543 3.238 ( -3.019 -3.019 -3.019) 5.229 3.256 ( -2.108 -2.108 -2.108) 3.650 3.279 ( -3.177 -3.177 -3.177) 5.503 5.065 ( 1.542 1.542 1.542) 2.671 5.134 ( -1.381 -1.381 -1.381) 2.392 5.209 ( 3.270 3.270 3.270) 5.664 5.297 ( -1.750 -1.750 -1.750) 3.032 5.334 ( 1.182 1.182 1.182) 2.047 5.360 ( 1.115 1.115 1.115) 1.931 5.404 ( -2.363 -2.363 -2.363) 4.093 5.409 ( -0.966 -0.966 -0.966) 1.674 10.170 ( 1.228 1.228 1.228) 2.128 10.216 ( -1.067 -1.067 -1.067) 1.847 10.257 ( -0.048 -0.048 -0.048) 0.083 10.261 ( -0.206 -0.206 -0.206) 0.356 10.793 ( 3.986 3.986 3.986) 6.905 10.896 ( -0.469 -0.469 -0.469) 0.812 10.914 ( -1.466 -1.466 -1.466) 2.539 10.940 ( -2.706 -2.706 -2.706) 4.688 16.764 ( 0.432 0.432 0.432) 0.748 16.777 ( 0.040 0.040 0.040) 0.070 16.798 ( 0.452 0.452 0.452) 0.783 16.819 ( -0.741 -0.741 -0.741) 1.283 21.634 ( 1.470 1.470 1.470) 2.546 21.696 ( -1.801 -1.801 -1.801) 3.120 21.996 ( 0.119 0.119 0.119) 0.207 22.007 ( 0.098 0.098 0.098) 0.170 22.096 ( 0.464 0.464 0.464) 0.804 22.123 ( -0.696 -0.696 -0.696) 1.205 22.406 ( 0.726 0.726 0.726) 1.258 22.433 ( -0.595 -0.595 -0.595) 1.031 36.847 ( -0.037 -0.037 -0.037) 0.064 36.851 ( -0.245 -0.245 -0.245) 0.425 36.999 ( 1.734 1.734 1.734) 3.004 37.070 ( -1.532 -1.532 -1.532) 2.653 46.646 ( 0.236 0.236 0.236) 0.409 46.653 ( -0.118 -0.118 -0.118) 0.205 46.878 ( 2.015 2.015 2.015) 3.490 46.955 ( -2.164 -2.164 -2.164) 3.748 47.540 ( 1.371 1.371 1.371) 2.374 47.607 ( -1.683 -1.683 -1.683) 2.914 47.794 ( 0.346 0.346 0.346) 0.600 47.803 ( -0.221 -0.221 -0.221) 0.382 95.672 ( 0.732 0.732 0.732) 1.268 95.702 ( -0.755 -0.755 -0.755) 1.307 95.733 ( 0.806 0.806 0.806) 1.396 95.771 ( -0.795 -0.795 -0.795) 1.378 98.019 ( -0.091 -0.091 -0.091) 0.157 98.025 ( -0.331 -0.331 -0.331) 0.573 98.116 ( 0.406 0.406 0.406) 0.703 98.130 ( -0.225 -0.225 -0.225) 0.390 98.483 ( 1.676 1.676 1.676) 2.903 98.538 ( -1.146 -1.146 -1.146) 1.985 98.546 ( 2.084 2.084 2.084) 3.610 98.637 ( -2.295 -2.295 -2.295) 3.974 ======================= Grid point 207 (34/45) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 14.746 -0.000 -0.000) 14.746 1.109 ( 15.407 -0.000 -0.000) 15.407 1.521 ( 13.729 -0.000 -0.000) 13.729 1.589 ( 4.241 -0.000 -0.000) 4.241 1.672 ( 5.184 -0.000 -0.000) 5.184 1.780 ( -0.353 0.000 0.000) 0.353 1.871 ( -0.908 0.000 0.000) 0.908 2.009 ( -0.688 0.000 0.000) 0.688 2.115 ( 0.761 -0.000 -0.000) 0.761 2.203 ( 10.746 -0.000 -0.000) 10.746 2.227 ( -0.362 0.000 0.000) 0.362 2.309 ( 12.054 -0.000 -0.000) 12.054 2.409 ( 14.412 -0.000 -0.000) 14.412 2.446 ( 8.503 -0.000 -0.000) 8.503 2.762 ( -8.478 0.000 0.000) 8.478 2.980 ( 10.181 -0.000 -0.000) 10.181 3.078 ( 8.498 -0.000 -0.000) 8.498 3.083 ( 5.480 -0.000 -0.000) 5.480 3.306 ( 0.971 -0.000 -0.000) 0.971 3.718 ( 0.007 -0.000 -0.000) 0.007 5.003 ( 3.613 -0.000 -0.000) 3.613 5.058 ( -1.754 0.000 0.000) 1.754 5.085 ( 1.623 -0.000 -0.000) 1.623 5.269 ( 2.048 -0.000 -0.000) 2.048 5.318 ( -1.252 0.000 0.000) 1.252 5.385 ( 2.227 -0.000 -0.000) 2.227 5.442 ( -0.221 0.000 0.000) 0.221 5.556 ( 0.626 -0.000 -0.000) 0.626 10.161 ( -0.619 0.000 0.000) 0.619 10.222 ( -1.247 0.000 0.000) 1.247 10.264 ( 0.043 -0.000 -0.000) 0.043 10.285 ( 0.328 -0.000 -0.000) 0.328 10.796 ( -5.614 0.000 0.000) 5.614 10.892 ( -3.259 0.000 0.000) 3.259 10.948 ( -5.502 0.000 0.000) 5.502 11.059 ( -5.234 0.000 0.000) 5.234 16.762 ( 1.123 -0.000 -0.000) 1.123 16.781 ( 1.572 -0.000 -0.000) 1.572 16.782 ( 1.529 -0.000 -0.000) 1.529 16.795 ( 1.581 -0.000 -0.000) 1.581 21.557 ( -1.154 0.000 0.000) 1.154 21.806 ( -1.798 0.000 0.000) 1.798 21.950 ( -2.093 0.000 0.000) 2.093 22.030 ( -1.321 0.000 0.000) 1.321 22.120 ( 1.383 -0.000 -0.000) 1.383 22.235 ( 1.432 -0.000 -0.000) 1.432 22.334 ( 0.072 -0.000 -0.000) 0.072 22.400 ( -0.830 0.000 0.000) 0.830 36.832 ( -4.436 0.000 0.000) 4.436 36.876 ( -1.214 0.000 0.000) 1.214 36.950 ( -0.531 0.000 0.000) 0.531 37.126 ( -1.803 0.000 0.000) 1.803 46.611 ( -0.248 0.000 0.000) 0.248 46.650 ( -0.050 0.000 0.000) 0.050 46.730 ( 3.441 -0.000 -0.000) 3.441 47.202 ( -4.940 0.000 0.000) 4.940 47.417 ( -3.789 0.000 0.000) 3.789 47.686 ( 2.083 -0.000 -0.000) 2.083 47.797 ( -1.895 0.000 0.000) 1.895 47.831 ( -1.391 0.000 0.000) 1.391 95.632 ( 1.142 -0.000 -0.000) 1.142 95.681 ( -0.082 0.000 0.000) 0.082 95.752 ( -0.067 0.000 0.000) 0.067 95.807 ( 3.453 -0.000 -0.000) 3.453 98.085 ( 0.180 -0.000 -0.000) 0.180 98.090 ( 0.269 -0.000 -0.000) 0.269 98.095 ( 0.268 -0.000 -0.000) 0.268 98.103 ( -0.033 0.000 0.000) 0.033 98.320 ( -4.624 0.000 0.000) 4.624 98.384 ( 2.643 -0.000 -0.000) 2.643 98.603 ( 0.932 -0.000 -0.000) 0.932 98.805 ( -0.970 0.000 0.000) 0.970 ======================= Grid point 217 (35/45) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 13.224 0.319 -0.000) 13.228 1.300 ( 11.822 -0.781 -0.000) 11.848 1.580 ( 1.101 1.419 0.000) 1.796 1.665 ( -1.023 1.146 0.000) 1.536 1.688 ( 4.704 3.711 -0.000) 5.992 1.803 ( 2.893 -0.903 -0.000) 3.030 1.896 ( 1.758 -1.347 -0.000) 2.215 1.963 ( 1.436 5.674 0.000) 5.853 2.126 ( 1.029 0.099 -0.000) 1.034 2.249 ( 11.446 10.566 -0.000) 15.577 2.280 ( 1.482 -7.543 -0.000) 7.688 2.381 ( 12.849 11.811 -0.000) 17.453 2.597 ( 5.047 -4.365 -0.000) 6.672 2.641 ( -6.103 -3.011 0.000) 6.805 2.747 ( 10.477 -10.156 -0.000) 14.592 3.085 ( 6.909 1.014 -0.000) 6.983 3.133 ( 3.888 -0.905 -0.000) 3.992 3.258 ( 6.426 -3.380 -0.000) 7.261 3.326 ( 6.330 3.245 -0.000) 7.113 3.699 ( 0.909 1.742 0.000) 1.964 5.022 ( 0.035 2.182 0.000) 2.182 5.068 ( 3.224 -0.985 -0.000) 3.371 5.117 ( 1.928 -1.175 -0.000) 2.258 5.290 ( 0.251 -0.215 -0.000) 0.330 5.298 ( -1.158 0.046 0.000) 1.159 5.402 ( 1.330 1.126 -0.000) 1.743 5.460 ( 0.951 -1.522 -0.000) 1.794 5.548 ( -0.449 1.007 0.000) 1.103 10.148 ( -0.222 1.036 0.000) 1.059 10.209 ( -1.471 -0.776 0.000) 1.664 10.263 ( -0.359 -0.194 0.000) 0.408 10.287 ( -0.081 -0.004 0.000) 0.081 10.717 ( -4.798 1.145 0.000) 4.932 10.796 ( -3.714 3.632 0.000) 5.195 10.931 ( -4.034 -4.845 -0.000) 6.304 10.991 ( -5.309 -0.822 0.000) 5.373 16.770 ( 1.134 0.821 -0.000) 1.400 16.791 ( 1.549 1.064 -0.000) 1.879 16.811 ( 1.349 -0.645 -0.000) 1.496 16.825 ( 1.404 -0.865 -0.000) 1.649 21.555 ( -0.155 -1.073 -0.000) 1.084 21.753 ( -4.395 0.806 0.000) 4.468 21.934 ( -1.228 -0.144 0.000) 1.237 22.024 ( 1.639 0.678 -0.000) 1.773 22.143 ( 1.773 -0.036 -0.000) 1.774 22.238 ( 0.998 1.728 0.000) 1.996 22.340 ( -0.364 -0.641 -0.000) 0.737 22.387 ( -2.284 -1.511 0.000) 2.738 36.776 ( -4.462 -0.966 0.000) 4.565 36.863 ( -0.553 0.094 0.000) 0.561 36.937 ( -0.434 0.877 0.000) 0.978 37.103 ( -2.263 -0.790 0.000) 2.397 46.611 ( -0.214 -0.507 -0.000) 0.551 46.646 ( -0.566 0.001 0.000) 0.566 46.785 ( 3.918 -0.573 -0.000) 3.960 47.125 ( -3.768 2.277 0.000) 4.403 47.373 ( -4.469 -1.859 0.000) 4.840 47.711 ( 1.507 -0.094 -0.000) 1.509 47.775 ( -1.382 -0.127 0.000) 1.387 47.808 ( -1.389 0.514 0.000) 1.481 95.651 ( 1.468 -0.087 -0.000) 1.470 95.681 ( 0.146 0.061 -0.000) 0.158 95.748 ( -0.345 0.220 0.000) 0.409 95.851 ( 3.028 0.222 -0.000) 3.036 98.081 ( 0.234 0.780 0.000) 0.814 98.087 ( 0.329 0.675 0.000) 0.751 98.094 ( 0.013 0.450 0.000) 0.450 98.112 ( 0.015 -0.912 -0.000) 0.912 98.269 ( -4.469 -1.736 0.000) 4.794 98.424 ( 3.029 0.153 -0.000) 3.033 98.619 ( 0.831 -0.510 -0.000) 0.975 98.781 ( -1.320 0.932 0.000) 1.616 ======================= Grid point 218 (36/45) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 12.943 -0.000 0.639) 12.959 1.293 ( 12.272 -0.000 -0.066) 12.273 1.575 ( 0.503 -0.000 -2.062) 2.123 1.665 ( -0.289 0.000 -0.125) 0.314 1.734 ( 5.349 -0.000 -0.434) 5.367 1.757 ( 2.592 -0.000 -3.235) 4.145 1.877 ( 2.171 -0.000 -2.103) 3.023 1.972 ( -0.422 -0.000 -2.722) 2.755 2.130 ( 4.914 -0.000 -2.378) 5.459 2.251 ( 4.416 -0.000 -0.681) 4.468 2.256 ( 6.981 -0.000 -3.752) 7.926 2.411 ( 9.285 -0.000 -7.153) 11.720 2.633 ( -3.931 0.000 3.183) 5.058 2.654 ( 6.658 0.000 7.418) 9.968 2.712 ( 9.431 -0.000 8.534) 12.719 3.092 ( 4.417 -0.000 -0.099) 4.418 3.124 ( 1.799 -0.000 -1.753) 2.512 3.213 ( 9.818 -0.000 -0.865) 9.856 3.358 ( 7.481 -0.000 0.513) 7.498 3.703 ( 0.164 -0.000 -1.174) 1.186 5.030 ( -0.375 -0.000 -1.474) 1.521 5.055 ( 4.037 -0.000 -0.422) 4.059 5.125 ( 1.436 0.000 1.971) 2.439 5.275 ( 0.312 -0.000 -0.761) 0.822 5.313 ( -1.581 0.000 1.250) 2.016 5.406 ( 2.327 -0.000 -1.485) 2.761 5.449 ( 0.544 0.000 0.715) 0.899 5.554 ( -0.536 0.000 -0.290) 0.610 10.145 ( -0.300 -0.000 -1.273) 1.307 10.213 ( -1.367 0.000 1.135) 1.776 10.264 ( -0.367 0.000 0.231) 0.433 10.287 ( -0.089 0.000 0.003) 0.089 10.701 ( -4.705 0.000 -2.714) 5.431 10.827 ( -3.659 0.000 -1.964) 4.153 10.905 ( -4.361 0.000 3.425) 5.545 11.001 ( -5.142 0.000 1.984) 5.511 16.770 ( 1.143 -0.000 -0.834) 1.415 16.792 ( 1.526 -0.000 -1.068) 1.863 16.811 ( 1.365 -0.000 0.686) 1.528 16.825 ( 1.401 -0.000 0.840) 1.634 21.552 ( -0.141 0.000 0.629) 0.645 21.760 ( -4.466 0.000 -0.001) 4.466 21.918 ( -0.669 -0.000 -1.516) 1.658 22.045 ( 0.918 0.000 1.639) 1.879 22.138 ( 1.901 -0.000 -0.603) 1.994 22.233 ( 1.093 -0.000 -2.166) 2.426 22.345 ( -0.329 0.000 0.945) 1.001 22.383 ( -2.324 0.000 1.267) 2.647 36.776 ( -4.446 0.000 0.932) 4.542 36.863 ( -0.562 0.000 -0.078) 0.567 36.937 ( -0.435 -0.000 -0.884) 0.985 37.103 ( -2.269 0.000 0.813) 2.410 46.611 ( -0.206 0.000 0.438) 0.484 46.646 ( -0.581 0.000 0.086) 0.588 46.785 ( 3.924 -0.000 0.554) 3.963 47.125 ( -3.771 0.000 -2.258) 4.395 47.373 ( -4.457 0.000 1.817) 4.813 47.712 ( 1.558 -0.000 0.315) 1.590 47.772 ( -1.453 0.000 -0.275) 1.479 47.809 ( -1.378 0.000 -0.309) 1.412 95.652 ( 1.488 -0.000 0.123) 1.494 95.681 ( 0.112 -0.000 -0.084) 0.140 95.748 ( -0.341 0.000 -0.215) 0.403 95.851 ( 3.037 -0.000 -0.238) 3.046 98.083 ( 0.206 -0.000 -1.030) 1.051 98.084 ( 0.411 -0.000 -0.565) 0.699 98.093 ( 0.042 -0.000 -0.388) 0.390 98.113 ( -0.073 0.000 0.912) 0.915 98.270 ( -4.402 0.000 1.766) 4.743 98.428 ( 2.860 -0.000 0.431) 2.892 98.610 ( 1.006 -0.000 -0.612) 1.177 98.786 ( -1.386 0.000 -0.350) 1.429 ======================= Grid point 226 (37/45) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 10.773 0.235 -0.000) 10.775 1.441 ( 7.156 0.253 -0.000) 7.160 1.547 ( 0.290 4.348 0.000) 4.358 1.583 ( -1.779 4.798 0.000) 5.117 1.709 ( 0.954 -0.906 -0.000) 1.316 1.822 ( 3.581 4.457 0.000) 5.717 1.886 ( 0.690 4.134 0.000) 4.191 1.957 ( 2.106 0.165 -0.000) 2.112 2.159 ( 1.744 -1.015 -0.000) 2.018 2.254 ( 11.633 11.356 -0.000) 16.256 2.367 ( 7.529 6.326 -0.000) 9.834 2.443 ( 3.209 -4.349 -0.000) 5.404 2.510 ( -5.858 0.197 0.000) 5.861 2.773 ( 3.672 -4.410 -0.000) 5.739 2.931 ( 4.332 -2.145 -0.000) 4.834 3.130 ( -3.518 1.756 0.000) 3.932 3.145 ( 3.738 2.049 -0.000) 4.263 3.297 ( 7.159 5.741 -0.000) 9.177 3.436 ( 6.872 -0.484 -0.000) 6.889 3.711 ( 2.389 1.061 -0.000) 2.614 4.997 ( 0.802 1.798 0.000) 1.969 5.117 ( 2.883 0.519 -0.000) 2.929 5.158 ( 1.250 -0.584 -0.000) 1.380 5.265 ( -1.153 0.468 0.000) 1.245 5.302 ( -1.051 -1.098 0.000) 1.520 5.406 ( 1.637 1.201 -0.000) 2.030 5.484 ( 0.716 0.320 -0.000) 0.784 5.530 ( -0.862 -0.352 0.000) 0.931 10.130 ( 0.326 1.362 0.000) 1.400 10.205 ( -1.382 -1.520 -0.000) 2.055 10.262 ( -0.493 -0.509 0.000) 0.709 10.284 ( -0.446 -0.149 0.000) 0.470 10.643 ( -2.120 1.913 0.000) 2.855 10.739 ( -1.464 -0.553 0.000) 1.565 10.939 ( -4.801 -2.024 0.000) 5.210 10.947 ( -3.822 -4.987 -0.000) 6.283 16.773 ( 1.086 1.000 -0.000) 1.476 16.795 ( 1.445 1.247 -0.000) 1.908 16.831 ( 0.675 -0.118 -0.000) 0.686 16.847 ( 0.705 -0.196 -0.000) 0.732 21.576 ( 0.265 -1.049 -0.000) 1.082 21.690 ( -3.949 -1.029 0.000) 4.081 21.914 ( -0.224 1.263 0.000) 1.283 22.052 ( 2.436 0.065 -0.000) 2.437 22.161 ( 1.434 1.023 -0.000) 1.761 22.226 ( 0.956 1.702 0.000) 1.952 22.334 ( -1.349 -0.702 0.000) 1.521 22.385 ( -2.406 -2.597 -0.000) 3.540 36.742 ( -3.654 -2.313 0.000) 4.325 36.859 ( 0.088 0.126 0.000) 0.153 36.920 ( -0.022 0.804 0.000) 0.804 37.089 ( -2.175 -1.653 0.000) 2.732 46.617 ( -0.264 -0.677 -0.000) 0.726 46.637 ( -0.795 -0.278 0.000) 0.842 46.841 ( 3.159 0.124 -0.000) 3.162 47.053 ( -1.652 2.036 0.000) 2.622 47.349 ( -4.277 -3.341 0.000) 5.427 47.729 ( 0.996 -0.059 -0.000) 0.997 47.764 ( -0.917 -0.210 0.000) 0.941 47.785 ( -0.787 0.241 0.000) 0.823 95.670 ( 1.219 0.230 -0.000) 1.241 95.683 ( 0.214 0.230 0.000) 0.314 95.739 ( -0.343 0.161 0.000) 0.379 95.878 ( 2.120 1.062 -0.000) 2.371 98.074 ( 0.270 0.615 0.000) 0.671 98.083 ( 0.386 0.599 0.000) 0.712 98.088 ( 0.334 0.589 0.000) 0.677 98.121 ( -0.252 -0.619 -0.000) 0.668 98.246 ( -3.948 -3.243 0.000) 5.109 98.455 ( 2.482 0.914 -0.000) 2.645 98.632 ( 0.651 0.563 -0.000) 0.860 98.755 ( -0.966 -0.001 0.000) 0.966 ======================= Grid point 227 (38/45) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 10.555 0.256 0.458) 10.568 1.438 ( 8.865 -0.489 0.131) 8.880 1.570 ( -0.302 1.191 -2.124) 2.454 1.626 ( -3.199 0.321 -0.725) 3.296 1.714 ( 0.459 4.727 -1.596) 5.010 1.837 ( 4.694 0.984 -2.678) 5.493 1.900 ( 1.243 0.002 -2.122) 2.459 1.975 ( 1.105 0.918 -0.549) 1.538 2.154 ( 2.022 0.182 1.410) 2.471 2.287 ( 10.512 10.462 -10.281) 18.046 2.349 ( 5.123 -3.355 0.811) 6.177 2.517 ( -6.412 -1.047 2.350) 6.909 2.587 ( 5.111 -0.011 -0.120) 5.113 2.709 ( 6.411 0.417 3.297) 7.221 2.896 ( 7.565 -2.677 1.906) 8.248 3.119 ( -0.708 -1.036 -2.185) 2.520 3.160 ( 3.492 0.772 -0.432) 3.602 3.344 ( 8.526 1.510 -3.849) 9.475 3.445 ( 8.297 2.877 0.689) 8.809 3.707 ( 1.191 0.310 -0.715) 1.423 5.015 ( 0.463 1.770 -1.435) 2.325 5.116 ( 4.011 -0.393 0.075) 4.031 5.159 ( 1.745 -1.395 1.310) 2.590 5.271 ( -1.445 0.011 -0.139) 1.452 5.287 ( -1.526 0.334 -0.225) 1.578 5.424 ( 2.057 1.070 -0.169) 2.325 5.471 ( 0.796 -1.046 -0.339) 1.358 5.533 ( -1.326 0.700 -0.113) 1.504 10.142 ( 0.377 0.465 -0.813) 1.010 10.195 ( -1.581 -0.380 0.869) 1.844 10.257 ( -0.727 -0.232 0.221) 0.795 10.283 ( -0.558 -0.103 0.090) 0.574 10.653 ( -2.538 -0.407 -0.861) 2.710 10.758 ( -3.097 1.961 0.438) 3.692 10.866 ( -3.641 -1.679 -0.189) 4.014 10.951 ( -4.784 -2.787 3.409) 6.502 16.778 ( 1.067 0.778 -0.787) 1.537 16.812 ( 1.276 0.331 -0.273) 1.347 16.825 ( 1.295 0.107 -0.152) 1.308 16.845 ( 0.856 -0.249 0.244) 0.924 21.564 ( 0.566 -1.332 0.961) 1.737 21.688 ( -4.888 0.501 0.044) 4.914 21.919 ( 0.691 0.551 -1.367) 1.628 22.062 ( 1.797 0.172 1.098) 2.113 22.164 ( 1.926 0.433 -0.842) 2.146 22.236 ( 0.798 1.204 -1.556) 2.123 22.339 ( -1.771 -0.510 1.094) 2.144 22.357 ( -2.407 -1.656 1.207) 3.162 36.726 ( -3.955 -1.271 1.259) 4.341 36.860 ( 0.167 0.112 -0.107) 0.228 36.927 ( -0.273 0.536 -0.543) 0.810 37.076 ( -2.509 -0.967 0.980) 2.862 46.612 ( -0.171 -0.516 0.467) 0.716 46.635 ( -0.994 -0.082 0.137) 1.007 46.842 ( 3.984 -0.139 0.129) 3.988 47.070 ( -2.346 1.711 -1.697) 3.363 47.323 ( -4.746 -2.109 2.087) 5.597 47.730 ( 1.091 0.102 0.204) 1.115 47.758 ( -0.860 -0.274 -0.204) 0.925 47.789 ( -1.199 0.231 -0.049) 1.222 95.672 ( 1.436 0.063 0.022) 1.437 95.684 ( 0.298 0.060 -0.148) 0.338 95.740 ( -0.486 0.198 -0.189) 0.558 95.885 ( 2.425 0.570 -0.576) 2.557 98.078 ( 0.211 0.676 -0.697) 0.993 98.087 ( 0.316 0.544 -0.486) 0.795 98.094 ( 0.161 0.069 -0.171) 0.245 98.116 ( -0.139 -0.519 0.515) 0.744 98.224 ( -4.026 -1.835 1.908) 4.819 98.465 ( 2.950 0.666 -0.365) 3.046 98.629 ( 0.984 -0.596 -0.110) 1.156 98.758 ( -1.648 0.667 -0.267) 1.798 ======================= Grid point 228 (39/45) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 10.500 -0.000 -0.621) 10.519 1.441 ( 7.867 -0.000 1.092) 7.942 1.520 ( 0.057 -0.000 -5.789) 5.790 1.599 ( -3.110 -0.000 -3.244) 4.494 1.735 ( 0.919 -0.000 -2.034) 2.232 1.816 ( 3.323 -0.000 -1.684) 3.725 1.843 ( 4.137 -0.000 -3.972) 5.735 1.967 ( 0.863 -0.000 -0.416) 0.958 2.166 ( 3.179 -0.000 -1.333) 3.447 2.257 ( 11.578 -0.000 -11.636) 16.415 2.348 ( 3.450 -0.000 1.820) 3.901 2.432 ( 5.282 -0.000 -3.667) 6.430 2.550 ( -7.348 0.000 2.193) 7.668 2.818 ( -0.335 0.000 3.423) 3.439 2.917 ( 8.309 -0.000 2.080) 8.566 3.069 ( 0.488 -0.000 -2.050) 2.107 3.152 ( 3.154 -0.000 -1.649) 3.559 3.291 ( 6.606 -0.000 -3.635) 7.540 3.464 ( 5.785 -0.000 -1.824) 6.066 3.708 ( 1.948 -0.000 -0.606) 2.041 5.002 ( 0.348 -0.000 -1.950) 1.981 5.110 ( 4.011 -0.000 -0.439) 4.035 5.157 ( 0.566 -0.000 0.502) 0.756 5.268 ( -0.665 0.000 -0.243) 0.708 5.302 ( -1.878 0.000 1.307) 2.289 5.410 ( 1.974 -0.000 -2.070) 2.861 5.471 ( 1.155 -0.000 0.546) 1.278 5.538 ( -1.276 0.000 0.059) 1.278 10.127 ( 0.472 -0.000 -1.161) 1.254 10.210 ( -1.625 0.000 1.256) 2.054 10.262 ( -0.552 0.000 0.542) 0.773 10.284 ( -0.442 0.000 0.151) 0.467 10.629 ( -1.135 -0.000 -1.203) 1.654 10.760 ( -2.782 0.000 -0.822) 2.901 10.910 ( -3.162 0.000 4.538) 5.531 10.968 ( -4.977 0.000 3.166) 5.899 16.773 ( 1.096 -0.000 -0.992) 1.478 16.796 ( 1.419 -0.000 -1.272) 1.906 16.831 ( 0.677 -0.000 0.137) 0.691 16.847 ( 0.719 -0.000 0.195) 0.745 21.570 ( 0.616 0.000 1.116) 1.275 21.699 ( -4.614 0.000 0.934) 4.708 21.903 ( 0.946 -0.000 -0.967) 1.353 22.069 ( 0.823 -0.000 -0.549) 0.989 22.154 ( 1.934 -0.000 -0.908) 2.137 22.222 ( 1.196 -0.000 -1.455) 1.883 22.337 ( -1.440 0.000 0.387) 1.491 22.383 ( -2.299 0.000 2.766) 3.597 36.742 ( -3.628 0.000 2.313) 4.303 36.859 ( 0.076 -0.000 -0.125) 0.146 36.920 ( -0.016 -0.000 -0.801) 0.801 37.089 ( -2.192 0.000 1.649) 2.743 46.616 ( -0.201 0.000 0.669) 0.698 46.638 ( -0.871 0.000 0.285) 0.916 46.841 ( 3.173 -0.000 -0.122) 3.175 47.053 ( -1.665 -0.000 -2.042) 2.635 47.348 ( -4.245 0.000 3.347) 5.405 47.734 ( 0.902 -0.000 0.003) 0.902 47.755 ( -0.621 0.000 0.217) 0.657 47.788 ( -1.010 0.000 -0.192) 1.028 95.671 ( 1.260 -0.000 -0.268) 1.289 95.681 ( 0.163 -0.000 -0.189) 0.250 95.739 ( -0.347 0.000 -0.165) 0.384 95.878 ( 2.132 -0.000 -1.061) 2.382 98.074 ( 0.252 -0.000 -0.623) 0.672 98.082 ( 0.601 -0.000 -0.682) 0.909 98.088 ( 0.230 -0.000 -0.472) 0.526 98.121 ( -0.291 0.000 0.632) 0.696 98.247 ( -3.979 0.000 3.189) 5.099 98.460 ( 2.004 -0.000 -0.950) 2.217 98.621 ( 1.593 -0.000 -0.415) 1.646 98.762 ( -1.451 0.000 -0.094) 1.454 ======================= Grid point 236 (40/45) ======================= q-point: (-0.44 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 4.213 3.586 -1.540) 5.743 1.531 ( 1.153 1.944 -0.247) 2.273 1.549 ( 4.078 3.036 2.468) 5.652 1.569 ( 0.383 1.990 -0.686) 2.140 1.681 ( -0.384 -1.752 -4.960) 5.274 1.852 ( 4.148 4.564 -3.042) 6.877 1.903 ( 1.519 2.406 -0.010) 2.845 1.977 ( 0.609 0.313 0.185) 0.709 2.185 ( 0.695 0.229 1.123) 1.340 2.288 ( 11.727 11.535 -12.093) 20.416 2.375 ( -5.451 -4.455 1.403) 7.178 2.535 ( 2.178 1.986 3.203) 4.353 2.574 ( 3.601 3.216 4.626) 6.686 2.779 ( -0.387 -1.369 -1.493) 2.062 2.968 ( 2.972 2.584 -2.273) 4.547 3.103 ( -0.421 1.261 0.814) 1.559 3.181 ( 1.848 1.730 -0.724) 2.633 3.380 ( 6.295 6.895 -1.998) 9.548 3.507 ( 4.673 3.476 -1.659) 6.056 3.712 ( 0.987 1.268 -2.438) 2.920 5.005 ( 1.512 1.415 -1.244) 2.416 5.159 ( 2.308 1.845 0.429) 2.986 5.179 ( -0.419 0.428 1.821) 1.917 5.254 ( 0.034 -0.665 -0.503) 0.834 5.270 ( -1.579 -1.138 -1.095) 2.233 5.438 ( 1.874 1.404 0.831) 2.485 5.477 ( -0.394 0.400 -1.336) 1.449 5.519 ( -0.480 -0.843 0.022) 0.970 10.140 ( 0.787 0.948 0.193) 1.247 10.187 ( -1.240 -1.468 0.085) 1.924 10.253 ( -0.599 -0.584 0.028) 0.838 10.279 ( -0.502 -0.494 0.301) 0.766 10.636 ( -0.843 -0.326 1.618) 1.853 10.727 ( -0.530 -1.373 -0.406) 1.526 10.847 ( -2.733 -2.194 -1.610) 3.857 10.940 ( -4.144 -4.313 3.942) 7.164 16.780 ( 0.967 0.969 -0.778) 1.575 16.817 ( 1.031 1.019 0.248) 1.471 16.836 ( 0.466 0.474 -0.357) 0.755 16.852 ( 0.274 0.276 -0.307) 0.496 21.587 ( -0.305 -0.008 1.732) 1.759 21.641 ( -2.367 -2.714 -0.672) 3.663 21.917 ( 1.270 1.507 -0.866) 2.153 22.081 ( 0.999 0.560 0.257) 1.174 22.172 ( 1.317 1.500 -1.015) 2.239 22.231 ( 1.040 1.156 -0.907) 1.800 22.325 ( -2.048 -2.156 1.956) 3.560 22.355 ( -1.854 -1.793 0.322) 2.599 36.707 ( -2.754 -2.751 1.391) 4.134 36.861 ( 0.379 0.378 -0.220) 0.579 36.920 ( 0.221 0.224 -0.201) 0.373 37.065 ( -2.012 -2.016 0.939) 2.999 46.617 ( -0.397 -0.357 0.578) 0.788 46.627 ( -0.690 -0.732 0.051) 1.007 46.877 ( 1.927 1.931 -0.294) 2.743 47.035 ( 0.292 0.287 -1.076) 1.152 47.305 ( -3.901 -3.894 2.054) 5.882 47.739 ( 0.633 0.333 -0.169) 0.735 47.752 ( -0.620 -0.207 0.089) 0.660 47.778 ( -0.393 -0.509 0.122) 0.655 95.683 ( 0.587 0.362 -0.042) 0.691 95.686 ( 0.401 0.630 -0.173) 0.766 95.734 ( -0.145 -0.151 -0.147) 0.256 95.898 ( 1.493 1.495 -0.723) 2.233 98.074 ( 0.454 0.470 -0.528) 0.840 98.085 ( 0.440 0.404 -0.452) 0.749 98.094 ( 0.264 0.300 0.048) 0.403 98.119 ( -0.378 -0.367 0.288) 0.600 98.210 ( -3.213 -3.241 1.838) 4.920 98.483 ( 1.954 1.845 -0.776) 2.797 98.641 ( 0.284 0.580 0.415) 0.767 98.740 ( -0.603 -0.788 -0.435) 1.083 ======================= Grid point 316 (41/45) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 10.663 -0.000 -0.000) 10.663 1.436 ( 9.149 -0.000 -0.000) 9.149 1.588 ( -0.506 0.000 0.000) 0.506 1.633 ( -3.424 0.000 0.000) 3.424 1.788 ( 0.023 -0.000 -0.000) 0.023 1.827 ( 5.762 -0.000 -0.000) 5.762 1.918 ( 1.672 -0.000 -0.000) 1.672 1.992 ( 0.008 -0.000 -0.000) 0.008 2.161 ( -1.641 0.000 0.000) 1.641 2.270 ( 9.722 -0.000 -0.000) 9.722 2.483 ( -9.862 0.000 0.000) 9.862 2.518 ( 10.607 -0.000 -0.000) 10.607 2.606 ( 7.870 -0.000 -0.000) 7.870 2.674 ( 4.272 -0.000 -0.000) 4.272 2.817 ( 13.814 -0.000 -0.000) 13.814 3.141 ( 0.061 -0.000 -0.000) 0.061 3.162 ( 3.787 -0.000 -0.000) 3.787 3.387 ( 11.811 -0.000 -0.000) 11.811 3.464 ( 8.938 -0.000 -0.000) 8.938 3.702 ( -0.396 0.000 0.000) 0.396 5.046 ( 0.894 -0.000 -0.000) 0.894 5.109 ( 2.740 -0.000 -0.000) 2.740 5.140 ( 3.438 -0.000 -0.000) 3.438 5.272 ( -2.132 0.000 0.000) 2.132 5.287 ( -0.571 0.000 0.000) 0.571 5.446 ( 1.928 -0.000 -0.000) 1.928 5.450 ( 0.752 -0.000 -0.000) 0.752 5.540 ( -1.652 0.000 0.000) 1.652 10.157 ( 0.447 -0.000 -0.000) 0.447 10.182 ( -1.622 0.000 0.000) 1.622 10.252 ( -1.057 0.000 0.000) 1.057 10.282 ( -0.741 0.000 0.000) 0.741 10.661 ( -3.773 0.000 0.000) 3.773 10.805 ( -4.333 0.000 0.000) 4.333 10.810 ( -2.593 0.000 0.000) 2.593 10.913 ( -5.248 0.000 0.000) 5.248 16.789 ( 0.814 -0.000 -0.000) 0.814 16.824 ( 1.462 -0.000 -0.000) 1.462 16.825 ( 1.503 -0.000 -0.000) 1.503 16.836 ( 1.304 -0.000 -0.000) 1.304 21.548 ( 0.287 -0.000 -0.000) 0.287 21.691 ( -5.213 0.000 0.000) 5.213 21.938 ( 1.394 -0.000 -0.000) 1.394 22.051 ( 1.797 -0.000 -0.000) 1.797 22.172 ( 2.253 -0.000 -0.000) 2.253 22.263 ( 0.620 -0.000 -0.000) 0.620 22.323 ( -2.407 0.000 0.000) 2.407 22.334 ( -2.482 0.000 0.000) 2.482 36.708 ( -4.259 0.000 0.000) 4.259 36.861 ( 0.276 -0.000 -0.000) 0.276 36.937 ( -0.378 0.000 0.000) 0.378 37.060 ( -3.005 0.000 0.000) 3.005 46.605 ( -0.206 0.000 0.000) 0.206 46.634 ( -1.068 0.000 0.000) 1.068 46.840 ( 4.601 -0.000 -0.000) 4.601 47.098 ( -2.578 0.000 0.000) 2.578 47.289 ( -5.459 0.000 0.000) 5.459 47.728 ( 1.107 -0.000 -0.000) 1.107 47.758 ( -0.951 0.000 0.000) 0.951 47.792 ( -1.392 0.000 0.000) 1.392 95.672 ( 1.601 -0.000 -0.000) 1.601 95.686 ( 0.403 -0.000 -0.000) 0.403 95.743 ( -0.570 0.000 0.000) 0.570 95.893 ( 2.696 -0.000 -0.000) 2.696 98.091 ( 0.252 -0.000 -0.000) 0.252 98.096 ( 0.156 -0.000 -0.000) 0.156 98.099 ( 0.056 -0.000 -0.000) 0.056 98.100 ( -0.173 0.000 0.000) 0.173 98.197 ( -4.113 0.000 0.000) 4.113 98.474 ( 3.876 -0.000 -0.000) 3.876 98.625 ( 0.683 -0.000 -0.000) 0.683 98.764 ( -2.074 0.000 0.000) 2.074 ======================= Grid point 325 (42/45) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 6.108 -0.478 -0.000) 6.127 1.543 ( 5.983 1.493 -0.000) 6.166 1.575 ( -0.635 1.540 0.000) 1.666 1.596 ( -0.163 -0.166 0.000) 0.233 1.732 ( -0.505 4.077 0.000) 4.108 1.911 ( 3.271 0.604 -0.000) 3.326 1.924 ( 0.938 -0.028 -0.000) 0.939 1.985 ( -0.492 1.161 0.000) 1.261 2.163 ( 2.253 -0.778 -0.000) 2.384 2.335 ( -6.139 -0.361 0.000) 6.150 2.455 ( 5.060 -4.076 -0.000) 6.498 2.556 ( 7.914 8.744 0.000) 11.793 2.632 ( 5.035 8.271 0.000) 9.683 2.751 ( 1.107 -4.269 -0.000) 4.410 2.988 ( 7.763 -0.650 -0.000) 7.790 3.132 ( -0.289 2.062 0.000) 2.082 3.196 ( 1.513 0.051 -0.000) 1.514 3.500 ( 8.370 6.353 -0.000) 10.508 3.543 ( 7.112 2.083 -0.000) 7.410 3.725 ( 0.874 -1.623 -0.000) 1.843 5.045 ( 2.025 2.424 0.000) 3.158 5.148 ( 1.522 -1.277 -0.000) 1.986 5.188 ( 2.901 1.032 -0.000) 3.079 5.245 ( -1.654 -0.820 0.000) 1.846 5.273 ( -1.462 0.211 0.000) 1.477 5.447 ( 1.615 1.063 -0.000) 1.934 5.485 ( 0.527 -1.317 -0.000) 1.418 5.510 ( -1.943 0.365 0.000) 1.977 10.156 ( 0.500 1.184 0.000) 1.285 10.169 ( -0.931 -0.919 0.000) 1.309 10.242 ( -1.053 -0.834 0.000) 1.343 10.269 ( -1.228 -0.394 0.000) 1.289 10.624 ( -1.940 -0.270 0.000) 1.959 10.729 ( -0.974 1.505 0.000) 1.793 10.830 ( -2.934 -4.809 -0.000) 5.633 10.852 ( -4.638 -1.015 0.000) 4.748 16.795 ( 0.651 0.473 -0.000) 0.805 16.832 ( 1.348 1.095 -0.000) 1.737 16.843 ( 0.874 0.193 -0.000) 0.895 16.854 ( 0.675 -0.208 -0.000) 0.706 21.564 ( 0.497 -1.239 -0.000) 1.335 21.626 ( -3.985 -0.305 0.000) 3.997 21.954 ( 2.539 2.037 -0.000) 3.255 22.078 ( 1.652 -0.300 -0.000) 1.679 22.196 ( 1.666 0.814 -0.000) 1.854 22.257 ( 0.467 1.336 0.000) 1.416 22.279 ( -4.108 -1.941 0.000) 4.543 22.329 ( -1.326 -1.510 -0.000) 2.009 36.667 ( -3.167 -1.561 0.000) 3.531 36.869 ( 0.975 0.375 -0.000) 1.044 36.928 ( -0.158 0.546 0.000) 0.568 37.030 ( -2.924 -1.743 0.000) 3.404 46.606 ( -0.172 -0.493 -0.000) 0.522 46.620 ( -1.080 -0.230 0.000) 1.105 46.900 ( 4.304 0.929 -0.000) 4.403 47.058 ( -1.195 1.487 0.000) 1.908 47.237 ( -5.211 -3.243 0.000) 6.137 47.740 ( 0.599 0.050 -0.000) 0.601 47.751 ( -0.372 -0.277 0.000) 0.463 47.773 ( -1.008 -0.005 0.000) 1.008 95.688 ( 0.788 0.349 -0.000) 0.862 95.693 ( 0.942 0.185 -0.000) 0.960 95.734 ( -0.601 -0.000 0.000) 0.601 95.919 ( 1.836 0.803 -0.000) 2.004 98.086 ( 0.099 0.765 0.000) 0.772 98.091 ( 0.227 0.298 0.000) 0.375 98.098 ( 0.168 0.068 -0.000) 0.181 98.110 ( -0.177 -0.619 -0.000) 0.644 98.161 ( -3.205 -1.917 0.000) 3.735 98.516 ( 3.558 1.719 -0.000) 3.951 98.638 ( 0.484 -0.459 -0.000) 0.667 98.733 ( -2.144 -0.316 0.000) 2.167 ======================= Grid point 326 (43/45) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 5.858 -0.000 1.003) 5.943 1.547 ( 6.353 -0.000 -1.655) 6.565 1.569 ( 1.520 -0.000 -1.812) 2.365 1.587 ( -2.118 0.000 -0.472) 2.170 1.748 ( -1.946 -0.000 -3.237) 3.777 1.890 ( 3.664 -0.000 -0.409) 3.687 1.934 ( 2.187 -0.000 -0.957) 2.387 1.982 ( -0.294 -0.000 -0.956) 1.000 2.172 ( 1.122 0.000 1.339) 1.747 2.328 ( -4.580 0.000 -0.261) 4.588 2.451 ( 4.411 -0.000 3.341) 5.534 2.590 ( 10.176 -0.000 -8.143) 13.033 2.598 ( 2.906 -0.000 -7.139) 7.708 2.762 ( -0.308 0.000 4.019) 4.030 2.998 ( 7.851 -0.000 1.468) 7.987 3.114 ( 0.829 -0.000 -3.423) 3.522 3.199 ( 1.324 -0.000 -0.057) 1.326 3.483 ( 9.529 -0.000 -5.969) 11.244 3.568 ( 5.406 -0.000 -2.247) 5.854 3.720 ( 1.197 0.000 1.555) 1.962 5.046 ( 1.880 -0.000 -2.367) 3.023 5.149 ( 1.498 0.000 1.585) 2.181 5.183 ( 2.913 -0.000 -1.524) 3.288 5.252 ( -1.519 0.000 1.625) 2.225 5.268 ( -1.376 0.000 -0.921) 1.656 5.455 ( 1.097 -0.000 -1.207) 1.631 5.474 ( 0.981 0.000 1.056) 1.441 5.514 ( -1.954 0.000 0.076) 1.956 10.151 ( 0.571 -0.000 -0.981) 1.135 10.174 ( -1.066 0.000 0.754) 1.306 10.242 ( -1.044 0.000 0.828) 1.332 10.269 ( -1.216 0.000 0.388) 1.277 10.620 ( -1.455 0.000 -0.009) 1.455 10.739 ( -2.048 0.000 -1.326) 2.440 10.815 ( -2.058 0.000 3.765) 4.291 10.860 ( -4.883 0.000 2.134) 5.329 16.795 ( 0.655 -0.000 -0.475) 0.809 16.832 ( 1.327 -0.000 -1.101) 1.724 16.842 ( 0.891 -0.000 -0.181) 0.910 16.854 ( 0.675 -0.000 0.204) 0.705 21.562 ( 0.610 0.000 1.089) 1.248 21.628 ( -4.145 0.000 0.481) 4.173 21.951 ( 2.817 -0.000 -2.166) 3.553 22.082 ( 1.211 -0.000 0.551) 1.331 22.195 ( 1.785 -0.000 -0.914) 2.006 22.252 ( 0.163 -0.000 -1.003) 1.016 22.284 ( -3.862 0.000 1.575) 4.171 22.328 ( -1.176 0.000 1.494) 1.902 36.667 ( -3.164 0.000 1.559) 3.527 36.869 ( 0.973 -0.000 -0.374) 1.043 36.928 ( -0.155 -0.000 -0.547) 0.569 37.030 ( -2.929 0.000 1.745) 3.409 46.606 ( -0.158 0.000 0.476) 0.501 46.620 ( -1.096 0.000 0.248) 1.124 46.899 ( 4.307 -0.000 -0.932) 4.407 47.058 ( -1.201 -0.000 -1.483) 1.908 47.237 ( -5.203 0.000 3.239) 6.129 47.743 ( 0.698 -0.000 0.293) 0.757 47.747 ( -0.415 0.000 -0.144) 0.439 47.774 ( -1.067 0.000 0.085) 1.071 95.689 ( 0.609 -0.000 -0.307) 0.682 95.692 ( 1.123 -0.000 -0.230) 1.146 95.734 ( -0.604 0.000 0.005) 0.604 95.919 ( 1.837 -0.000 -0.804) 2.005 98.085 ( 0.145 -0.000 -0.671) 0.686 98.093 ( 0.117 -0.000 -0.422) 0.438 98.098 ( 0.265 -0.000 -0.134) 0.297 98.109 ( -0.186 0.000 0.702) 0.726 98.161 ( -3.231 0.000 1.930) 3.764 98.517 ( 3.456 -0.000 -1.659) 3.834 98.636 ( 0.720 -0.000 0.293) 0.777 98.734 ( -2.276 0.000 0.421) 2.314 ======================= Grid point 335 (44/45) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 1.323 1.323 -1.323) 2.291 1.552 ( 0.206 0.206 -0.206) 0.357 1.564 ( -0.305 -0.305 0.305) 0.529 1.673 ( 2.580 2.580 -2.580) 4.469 1.678 ( 2.585 2.585 -2.585) 4.478 1.931 ( 0.460 0.460 -0.460) 0.796 1.942 ( 1.512 1.512 -1.512) 2.618 1.970 ( -0.829 -0.829 0.829) 1.436 2.206 ( 0.528 0.528 -0.528) 0.914 2.255 ( -2.649 -2.649 2.649) 4.589 2.544 ( 0.090 0.090 -0.090) 0.156 2.547 ( 5.993 5.993 -5.993) 10.381 2.694 ( 4.469 4.469 -4.469) 7.740 2.749 ( -1.582 -1.582 1.582) 2.741 3.055 ( 2.958 2.958 -2.958) 5.123 3.124 ( 1.048 1.048 -1.048) 1.816 3.205 ( -0.039 -0.039 0.039) 0.068 3.552 ( 5.721 5.721 -5.721) 9.909 3.609 ( 2.805 2.805 -2.805) 4.859 3.728 ( 0.087 0.087 -0.087) 0.151 5.058 ( 2.277 2.277 -2.277) 3.944 5.168 ( -0.652 -0.652 0.652) 1.129 5.202 ( 0.316 0.316 -0.316) 0.547 5.247 ( -0.195 -0.195 0.195) 0.338 5.248 ( 0.193 0.193 -0.193) 0.334 5.469 ( 0.214 0.214 -0.214) 0.371 5.476 ( 0.380 0.380 -0.380) 0.658 5.497 ( -0.804 -0.804 0.804) 1.393 10.156 ( -0.803 -0.803 0.803) 1.391 10.167 ( 0.974 0.974 -0.974) 1.688 10.234 ( -0.736 -0.736 0.736) 1.275 10.258 ( -0.919 -0.919 0.919) 1.591 10.612 ( -0.825 -0.825 0.825) 1.429 10.720 ( 0.426 0.426 -0.426) 0.738 10.800 ( -1.157 -1.157 1.157) 2.005 10.830 ( -3.521 -3.521 3.521) 6.099 16.799 ( 0.406 0.406 -0.406) 0.703 16.841 ( 0.773 0.773 -0.773) 1.339 16.850 ( 0.406 0.406 -0.406) 0.703 16.859 ( 0.194 0.194 -0.194) 0.336 21.581 ( -0.755 -0.755 0.755) 1.309 21.584 ( -0.991 -0.991 0.991) 1.717 21.974 ( 2.560 2.560 -2.560) 4.434 22.094 ( 0.183 0.183 -0.183) 0.317 22.201 ( 0.087 0.087 -0.087) 0.151 22.253 ( -1.965 -1.965 1.965) 3.403 22.256 ( 0.732 0.732 -0.732) 1.268 22.320 ( -1.138 -1.138 1.138) 1.972 36.645 ( -1.675 -1.675 1.675) 2.902 36.879 ( 0.837 0.837 -0.837) 1.449 36.925 ( 0.182 0.182 -0.182) 0.316 37.008 ( -2.041 -2.041 2.041) 3.534 46.608 ( -0.369 -0.369 0.369) 0.638 46.609 ( -0.396 -0.396 0.396) 0.687 46.937 ( 2.313 2.313 -2.313) 4.006 47.044 ( 0.425 0.425 -0.425) 0.735 47.199 ( -3.689 -3.689 3.689) 6.389 47.745 ( -0.062 -0.062 0.062) 0.107 47.749 ( 0.125 0.125 -0.125) 0.217 47.765 ( -0.409 -0.409 0.409) 0.708 95.693 ( 0.409 0.409 -0.409) 0.708 95.702 ( 0.460 0.460 -0.460) 0.797 95.728 ( -0.265 -0.265 0.265) 0.458 95.932 ( 0.916 0.916 -0.916) 1.586 98.086 ( 0.401 0.401 -0.401) 0.694 98.091 ( 0.160 0.160 -0.160) 0.276 98.101 ( 0.118 0.118 -0.118) 0.205 98.110 ( -0.320 -0.320 0.320) 0.555 98.139 ( -1.901 -1.901 1.901) 3.293 98.543 ( 2.334 2.334 -2.334) 4.043 98.644 ( -0.113 -0.113 0.113) 0.196 98.713 ( -1.201 -1.201 1.201) 2.079 ======================= Grid point 424 (45/45) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 2.510 -0.000 -0.000) 2.510 1.563 ( -0.927 0.000 0.000) 0.927 1.564 ( -1.150 0.000 0.000) 1.150 1.684 ( 8.098 -0.000 -0.000) 8.098 1.760 ( -1.280 0.000 0.000) 1.280 1.927 ( 1.750 -0.000 -0.000) 1.750 1.940 ( 0.240 -0.000 -0.000) 0.240 1.969 ( -2.751 0.000 0.000) 2.751 2.189 ( 2.609 -0.000 -0.000) 2.609 2.248 ( -5.486 0.000 0.000) 5.486 2.538 ( 8.805 -0.000 -0.000) 8.805 2.658 ( -2.142 0.000 0.000) 2.142 2.694 ( -1.703 0.000 0.000) 1.703 2.766 ( 5.147 -0.000 -0.000) 5.147 3.093 ( 6.404 -0.000 -0.000) 6.404 3.156 ( 0.466 -0.000 -0.000) 0.466 3.191 ( -1.352 0.000 0.000) 1.352 3.638 ( 6.102 -0.000 -0.000) 6.102 3.666 ( 4.462 -0.000 -0.000) 4.462 3.712 ( 0.082 -0.000 -0.000) 0.082 5.105 ( 3.245 -0.000 -0.000) 3.245 5.147 ( 0.686 -0.000 -0.000) 0.686 5.199 ( -3.259 0.000 0.000) 3.259 5.239 ( 2.469 -0.000 -0.000) 2.469 5.262 ( -0.778 0.000 0.000) 0.778 5.472 ( 0.574 -0.000 -0.000) 0.574 5.475 ( 0.303 -0.000 -0.000) 0.303 5.489 ( -1.458 0.000 0.000) 1.458 10.144 ( -0.910 0.000 0.000) 0.910 10.187 ( 1.724 -0.000 -0.000) 1.724 10.219 ( -0.871 0.000 0.000) 0.871 10.242 ( -2.041 0.000 0.000) 2.041 10.601 ( -0.875 0.000 0.000) 0.875 10.741 ( -0.157 0.000 0.000) 0.157 10.760 ( -0.975 0.000 0.000) 0.975 10.790 ( -3.473 0.000 0.000) 3.473 16.804 ( 0.275 -0.000 -0.000) 0.275 16.854 ( 0.716 -0.000 -0.000) 0.716 16.856 ( 0.641 -0.000 -0.000) 0.641 16.859 ( 0.372 -0.000 -0.000) 0.372 21.561 ( 0.406 -0.000 -0.000) 0.406 21.580 ( -2.362 0.000 0.000) 2.362 22.025 ( 4.801 -0.000 -0.000) 4.801 22.091 ( 0.871 -0.000 -0.000) 0.871 22.175 ( -5.467 0.000 0.000) 5.467 22.244 ( 1.843 -0.000 -0.000) 1.843 22.272 ( 0.091 -0.000 -0.000) 0.091 22.297 ( -1.654 0.000 0.000) 1.654 36.622 ( -1.785 0.000 0.000) 1.785 36.895 ( 2.162 -0.000 -0.000) 2.162 36.930 ( -0.123 0.000 0.000) 0.123 36.972 ( -3.262 0.000 0.000) 3.262 46.601 ( -0.085 0.000 0.000) 0.085 46.605 ( -0.726 0.000 0.000) 0.726 46.977 ( 5.454 -0.000 -0.000) 5.454 47.057 ( -0.620 0.000 0.000) 0.620 47.132 ( -5.904 0.000 0.000) 5.904 47.746 ( 0.073 -0.000 -0.000) 0.073 47.748 ( 0.353 -0.000 -0.000) 0.353 47.760 ( -0.888 0.000 0.000) 0.888 95.702 ( 0.736 -0.000 -0.000) 0.736 95.707 ( 0.761 -0.000 -0.000) 0.761 95.723 ( -0.811 0.000 0.000) 0.811 95.945 ( 1.013 -0.000 -0.000) 1.013 98.095 ( 0.057 -0.000 -0.000) 0.057 98.098 ( 0.042 -0.000 -0.000) 0.042 98.098 ( 0.046 -0.000 -0.000) 0.046 98.099 ( -0.035 0.000 0.000) 0.035 98.114 ( -1.798 0.000 0.000) 1.798 98.586 ( 4.166 -0.000 -0.000) 4.166 98.639 ( 0.306 -0.000 -0.000) 0.306 98.690 ( -3.363 0.000 0.000) 3.363 =================== 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 3/52488 10.0 14.228 14.228 14.228 0.000 -0.000 -0.000 3/52488 20.0 4.353 4.353 4.353 0.000 -0.000 -0.000 3/52488 30.0 2.522 2.522 2.522 0.000 -0.000 -0.000 3/52488 40.0 1.819 1.819 1.819 0.000 -0.000 -0.000 3/52488 50.0 1.428 1.428 1.428 0.000 -0.000 -0.000 3/52488 60.0 1.174 1.174 1.174 0.000 -0.000 -0.000 3/52488 70.0 0.996 0.996 0.996 0.000 -0.000 -0.000 3/52488 80.0 0.866 0.866 0.866 0.000 -0.000 -0.000 3/52488 90.0 0.766 0.766 0.766 0.000 -0.000 -0.000 3/52488 100.0 0.687 0.687 0.687 0.000 -0.000 -0.000 3/52488 110.0 0.623 0.623 0.623 0.000 -0.000 -0.000 3/52488 120.0 0.571 0.571 0.571 0.000 -0.000 -0.000 3/52488 130.0 0.527 0.527 0.527 0.000 -0.000 -0.000 3/52488 140.0 0.489 0.489 0.489 0.000 -0.000 -0.000 3/52488 150.0 0.457 0.457 0.457 0.000 -0.000 -0.000 3/52488 160.0 0.429 0.429 0.429 0.000 -0.000 -0.000 3/52488 170.0 0.404 0.404 0.404 0.000 -0.000 -0.000 3/52488 180.0 0.382 0.382 0.382 0.000 -0.000 -0.000 3/52488 190.0 0.363 0.363 0.363 0.000 -0.000 -0.000 3/52488 200.0 0.346 0.346 0.346 0.000 -0.000 -0.000 3/52488 210.0 0.330 0.330 0.330 0.000 -0.000 -0.000 3/52488 220.0 0.316 0.316 0.316 0.000 -0.000 -0.000 3/52488 230.0 0.303 0.303 0.303 0.000 -0.000 -0.000 3/52488 240.0 0.291 0.291 0.291 0.000 -0.000 -0.000 3/52488 250.0 0.280 0.280 0.280 0.000 -0.000 -0.000 3/52488 260.0 0.270 0.270 0.270 0.000 -0.000 -0.000 3/52488 270.0 0.261 0.261 0.261 0.000 -0.000 -0.000 3/52488 280.0 0.252 0.252 0.252 0.000 -0.000 -0.000 3/52488 290.0 0.244 0.244 0.244 0.000 -0.000 -0.000 3/52488 300.0 0.237 0.237 0.237 0.000 -0.000 -0.000 3/52488 310.0 0.230 0.230 0.230 0.000 -0.000 -0.000 3/52488 320.0 0.223 0.223 0.223 0.000 -0.000 -0.000 3/52488 330.0 0.217 0.217 0.217 0.000 -0.000 -0.000 3/52488 340.0 0.211 0.211 0.211 0.000 -0.000 -0.000 3/52488 350.0 0.206 0.206 0.206 0.000 -0.000 -0.000 3/52488 360.0 0.201 0.201 0.201 0.000 -0.000 -0.000 3/52488 370.0 0.196 0.196 0.196 0.000 -0.000 -0.000 3/52488 380.0 0.191 0.191 0.191 0.000 -0.000 -0.000 3/52488 390.0 0.187 0.187 0.187 0.000 -0.000 -0.000 3/52488 400.0 0.183 0.183 0.183 0.000 -0.000 -0.000 3/52488 410.0 0.179 0.179 0.179 0.000 -0.000 -0.000 3/52488 420.0 0.175 0.175 0.175 0.000 -0.000 -0.000 3/52488 430.0 0.172 0.172 0.172 0.000 -0.000 -0.000 3/52488 440.0 0.168 0.168 0.168 0.000 -0.000 -0.000 3/52488 450.0 0.165 0.165 0.165 0.000 -0.000 -0.000 3/52488 460.0 0.162 0.162 0.162 0.000 -0.000 -0.000 3/52488 470.0 0.159 0.159 0.159 0.000 -0.000 -0.000 3/52488 480.0 0.156 0.156 0.156 0.000 -0.000 -0.000 3/52488 490.0 0.153 0.153 0.153 0.000 -0.000 -0.000 3/52488 500.0 0.151 0.151 0.151 0.000 -0.000 -0.000 3/52488 510.0 0.148 0.148 0.148 0.000 -0.000 -0.000 3/52488 520.0 0.146 0.146 0.146 0.000 -0.000 -0.000 3/52488 530.0 0.143 0.143 0.143 0.000 -0.000 -0.000 3/52488 540.0 0.141 0.141 0.141 0.000 -0.000 -0.000 3/52488 550.0 0.139 0.139 0.139 0.000 -0.000 -0.000 3/52488 560.0 0.137 0.137 0.137 0.000 -0.000 -0.000 3/52488 570.0 0.135 0.135 0.135 0.000 -0.000 -0.000 3/52488 580.0 0.133 0.133 0.133 0.000 -0.000 -0.000 3/52488 590.0 0.131 0.131 0.131 0.000 -0.000 -0.000 3/52488 600.0 0.129 0.129 0.129 0.000 -0.000 -0.000 3/52488 610.0 0.127 0.127 0.127 0.000 -0.000 -0.000 3/52488 620.0 0.126 0.126 0.126 0.000 -0.000 -0.000 3/52488 630.0 0.124 0.124 0.124 0.000 -0.000 -0.000 3/52488 640.0 0.122 0.122 0.122 0.000 -0.000 -0.000 3/52488 650.0 0.121 0.121 0.121 0.000 -0.000 -0.000 3/52488 660.0 0.119 0.119 0.119 0.000 -0.000 -0.000 3/52488 670.0 0.118 0.118 0.118 0.000 -0.000 -0.000 3/52488 680.0 0.116 0.116 0.116 0.000 -0.000 -0.000 3/52488 690.0 0.115 0.115 0.115 0.000 -0.000 -0.000 3/52488 700.0 0.113 0.113 0.113 0.000 -0.000 -0.000 3/52488 710.0 0.112 0.112 0.112 0.000 -0.000 -0.000 3/52488 720.0 0.111 0.111 0.111 0.000 -0.000 -0.000 3/52488 730.0 0.109 0.109 0.109 0.000 -0.000 -0.000 3/52488 740.0 0.108 0.108 0.108 0.000 -0.000 -0.000 3/52488 750.0 0.107 0.107 0.107 0.000 -0.000 -0.000 3/52488 760.0 0.106 0.106 0.106 0.000 -0.000 -0.000 3/52488 770.0 0.105 0.105 0.105 0.000 -0.000 -0.000 3/52488 780.0 0.103 0.103 0.103 0.000 -0.000 -0.000 3/52488 790.0 0.102 0.102 0.102 0.000 -0.000 -0.000 3/52488 800.0 0.101 0.101 0.101 0.000 -0.000 -0.000 3/52488 810.0 0.100 0.100 0.100 0.000 -0.000 -0.000 3/52488 820.0 0.099 0.099 0.099 0.000 -0.000 -0.000 3/52488 830.0 0.098 0.098 0.098 0.000 -0.000 -0.000 3/52488 840.0 0.097 0.097 0.097 0.000 -0.000 -0.000 3/52488 850.0 0.096 0.096 0.096 0.000 -0.000 -0.000 3/52488 860.0 0.095 0.095 0.095 0.000 -0.000 -0.000 3/52488 870.0 0.094 0.094 0.094 0.000 -0.000 -0.000 3/52488 880.0 0.093 0.093 0.093 0.000 -0.000 -0.000 3/52488 890.0 0.093 0.093 0.093 0.000 -0.000 -0.000 3/52488 900.0 0.092 0.092 0.092 0.000 -0.000 -0.000 3/52488 910.0 0.091 0.091 0.091 0.000 -0.000 -0.000 3/52488 920.0 0.090 0.090 0.090 0.000 -0.000 -0.000 3/52488 930.0 0.089 0.089 0.089 0.000 -0.000 -0.000 3/52488 940.0 0.088 0.088 0.088 0.000 -0.000 -0.000 3/52488 950.0 0.088 0.088 0.088 0.000 -0.000 -0.000 3/52488 960.0 0.087 0.087 0.087 0.000 -0.000 -0.000 3/52488 970.0 0.086 0.086 0.086 0.000 -0.000 -0.000 3/52488 980.0 0.085 0.085 0.085 0.000 -0.000 -0.000 3/52488 990.0 0.085 0.085 0.085 0.000 -0.000 -0.000 3/52488 1000.0 0.084 0.084 0.084 0.000 -0.000 -0.000 3/52488 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:20:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|