----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:59:34]------------------------- 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 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1md (109) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.364898989999999 3.364898989999999 2.967059065000000 b 3.364898989999999 -3.364898989999999 2.967059065000000 c 3.364898989999999 3.364898989999999 -2.967059065000000 Atomic positions (fractional): *1 Nb 0.26838238946157 0.76838238946157 0.50000000000000 92.906 2 Nb 0.51838238946157 0.51838238946157 0.00000000000000 92.906 *3 Rh 0.74681050940764 0.24681050940764 0.50000000000000 102.906 4 Rh 0.99681050940764 0.99681050940764 0.00000000000000 102.906 *5 O 0.25194275757847 0.05732455239835 0.80538179481988 15.999 *6 O 0.74046080298691 0.53118192579707 0.79072112281015 15.999 7 O 0.19656096275859 0.50194275757847 0.69461820518012 15.999 8 O 0.69973968017676 0.99046080298691 0.70927887718985 15.999 9 O 0.28118192579706 0.99046080298691 0.29072112281015 15.999 10 O 0.80732455239835 0.50194275757847 0.30538179481988 15.999 11 O 0.25194275757847 0.44656096275859 0.19461820518012 15.999 12 O 0.74046080298691 0.94973968017676 0.20927887718985 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.729797979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.729797979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.934118130000000 Atomic positions (fractional): *1 Nb 0.00000000000000 0.50000000000000 0.76838238946157 92.906 > 1 2 Nb 0.00000000000000 0.00000000000000 0.51838238946157 92.906 > 2 3 Nb 0.50000000000000 0.00000000000000 0.26838238946157 92.906 > 1 4 Nb 0.50000000000000 0.50000000000000 0.01838238946157 92.906 > 2 *5 Rh 0.50000000000000 0.00000000000000 0.74681050940764 102.906 > 3 6 Rh 0.00000000000000 0.00000000000000 0.99681050940764 102.906 > 4 7 Rh 0.00000000000000 0.50000000000000 0.24681050940764 102.906 > 3 8 Rh 0.50000000000000 0.50000000000000 0.49681050940764 102.906 > 4 *9 O 0.30538179481988 0.50000000000000 0.75194275757847 15.999 > 5 *10 O 0.29072112281015 0.50000000000000 0.24046080298691 15.999 > 6 11 O 0.50000000000000 0.19461820518012 0.00194275757847 15.999 > 7 12 O 0.00000000000000 0.70927887718985 0.99046080298691 15.999 > 8 13 O 0.00000000000000 0.29072112281015 0.99046080298691 15.999 > 9 14 O 0.00000000000000 0.30538179481988 0.50194275757847 15.999 > 10 15 O 0.19461820518012 0.00000000000000 0.25194275757847 15.999 > 11 16 O 0.20927887718985 0.00000000000000 0.74046080298691 15.999 > 12 17 O 0.80538179481988 0.00000000000000 0.25194275757847 15.999 > 5 18 O 0.79072112281015 0.00000000000000 0.74046080298691 15.999 > 6 19 O 0.00000000000000 0.69461820518012 0.50194275757847 15.999 > 7 20 O 0.50000000000000 0.20927887718985 0.49046080298691 15.999 > 8 21 O 0.50000000000000 0.79072112281015 0.49046080298691 15.999 > 9 22 O 0.50000000000000 0.80538179481988 0.00194275757847 15.999 > 10 23 O 0.69461820518012 0.50000000000000 0.75194275757847 15.999 > 11 24 O 0.70927887718985 0.50000000000000 0.24046080298691 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.729797979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.729797979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.868236260000000 Atomic positions (fractional): *1 Nb 0.00000000000000 0.50000000000000 0.38419119473079 92.906 > 1 2 Nb 0.00000000000000 0.50000000000000 0.88419119473079 92.906 > 1 3 Nb 0.00000000000000 0.00000000000000 0.25919119473079 92.906 > 2 4 Nb 0.00000000000000 0.00000000000000 0.75919119473079 92.906 > 2 5 Nb 0.50000000000000 0.00000000000000 0.13419119473079 92.906 > 1 6 Nb 0.50000000000000 0.00000000000000 0.63419119473079 92.906 > 1 7 Nb 0.50000000000000 0.50000000000000 0.00919119473079 92.906 > 2 8 Nb 0.50000000000000 0.50000000000000 0.50919119473079 92.906 > 2 *9 Rh 0.50000000000000 0.00000000000000 0.37340525470382 102.906 > 3 10 Rh 0.50000000000000 0.00000000000000 0.87340525470382 102.906 > 3 11 Rh 0.00000000000000 0.00000000000000 0.49840525470382 102.906 > 4 12 Rh 0.00000000000000 0.00000000000000 0.99840525470382 102.906 > 4 13 Rh 0.00000000000000 0.50000000000000 0.12340525470382 102.906 > 3 14 Rh 0.00000000000000 0.50000000000000 0.62340525470382 102.906 > 3 15 Rh 0.50000000000000 0.50000000000000 0.24840525470382 102.906 > 4 16 Rh 0.50000000000000 0.50000000000000 0.74840525470382 102.906 > 4 *17 O 0.30538179481988 0.50000000000000 0.37597137878924 15.999 > 5 18 O 0.30538179481988 0.50000000000000 0.87597137878924 15.999 > 5 *19 O 0.29072112281015 0.50000000000000 0.12023040149346 15.999 > 6 20 O 0.29072112281015 0.50000000000000 0.62023040149346 15.999 > 6 21 O 0.50000000000000 0.19461820518012 0.00097137878924 15.999 > 7 22 O 0.50000000000000 0.19461820518012 0.50097137878924 15.999 > 7 23 O 0.00000000000000 0.70927887718985 0.49523040149346 15.999 > 8 24 O 0.00000000000000 0.70927887718985 0.99523040149346 15.999 > 8 25 O 0.00000000000000 0.29072112281015 0.49523040149346 15.999 > 9 26 O 0.00000000000000 0.29072112281015 0.99523040149346 15.999 > 9 27 O 0.00000000000000 0.30538179481988 0.25097137878924 15.999 > 10 28 O 0.00000000000000 0.30538179481988 0.75097137878924 15.999 > 10 29 O 0.19461820518012 0.00000000000000 0.12597137878924 15.999 > 11 30 O 0.19461820518012 0.00000000000000 0.62597137878924 15.999 > 11 31 O 0.20927887718985 0.00000000000000 0.37023040149346 15.999 > 12 32 O 0.20927887718985 0.00000000000000 0.87023040149346 15.999 > 12 33 O 0.80538179481988 0.00000000000000 0.12597137878924 15.999 > 5 34 O 0.80538179481988 0.00000000000000 0.62597137878924 15.999 > 5 35 O 0.79072112281015 0.00000000000000 0.37023040149346 15.999 > 6 36 O 0.79072112281015 0.00000000000000 0.87023040149346 15.999 > 6 37 O 0.00000000000000 0.69461820518012 0.25097137878924 15.999 > 7 38 O 0.00000000000000 0.69461820518012 0.75097137878924 15.999 > 7 39 O 0.50000000000000 0.20927887718985 0.24523040149346 15.999 > 8 40 O 0.50000000000000 0.20927887718985 0.74523040149346 15.999 > 8 41 O 0.50000000000000 0.79072112281015 0.24523040149346 15.999 > 9 42 O 0.50000000000000 0.79072112281015 0.74523040149346 15.999 > 9 43 O 0.50000000000000 0.80538179481988 0.00097137878924 15.999 > 10 44 O 0.50000000000000 0.80538179481988 0.50097137878924 15.999 > 10 45 O 0.69461820518012 0.50000000000000 0.37597137878924 15.999 > 11 46 O 0.69461820518012 0.50000000000000 0.87597137878924 15.999 > 11 47 O 0.70927887718985 0.50000000000000 0.12023040149346 15.999 > 12 48 O 0.70927887718985 0.50000000000000 0.62023040149346 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.3470566 0.0000000 0.0000000 0.0000000 11.3470566 0.0000000 0.0000000 0.0000000 10.5824420 -------------------------- Born effective charges -------------------------- 1 Nb 8.1386221 0.0000000 0.0000000 0.0000000 6.2203629 0.0000000 0.0000000 0.0000000 7.5947751 2 Nb 6.2203629 0.0000000 0.0000000 0.0000000 8.1386221 0.0000000 0.0000000 0.0000000 7.5947751 3 Rh 1.2667275 0.0000000 0.0000000 0.0000000 0.8898306 0.0000000 0.0000000 0.0000000 1.0011553 4 Rh 0.8898306 0.0000000 0.0000000 0.0000000 1.2667275 0.0000000 0.0000000 0.0000000 1.0011553 5 O -4.6891260 0.0000000 -0.6232094 0.0000000 -0.6991392 0.0000000 -0.2241893 0.0000000 -2.9831447 6 O -2.1667986 0.0000000 0.7578656 0.0000000 -0.7027077 0.0000000 -0.0028537 0.0000000 -1.3148205 7 O -0.6991392 0.0000000 0.0000000 0.0000000 -4.6891260 0.6232094 0.0000000 0.2241893 -2.9831447 8 O -0.7027077 0.0000000 0.0000000 0.0000000 -2.1667986 -0.7578656 0.0000000 0.0028537 -1.3148205 9 O -0.7027077 0.0000000 0.0000000 0.0000000 -2.1667986 0.7578656 0.0000000 -0.0028537 -1.3148205 10 O -0.6991392 0.0000000 0.0000000 0.0000000 -4.6891260 -0.6232094 0.0000000 -0.2241893 -2.9831447 11 O -4.6891260 0.0000000 0.6232094 0.0000000 -0.6991392 0.0000000 0.2241893 0.0000000 -2.9831447 12 O -2.1667986 0.0000000 -0.7578656 0.0000000 -0.7027077 0.0000000 0.0028537 0.0000000 -1.3148205 ---------------------------------------------------------------------------- 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: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 378 Number of blocks in projector: 378 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 78 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 8 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 8 Use standard eigh solver. Tree of FC basis block matrices: - (378, 362), data: False |-- (8, 8), data: True |-- (8, 8), data: True |-- (78, 74), data: True |-- (128, 124), data: True |-- (156, 148), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.163 Solver_block: 200 / 240 - Time: 0.119 Solver_block: 240 / 240 - Time: 0.055 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.342 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 378 Number of blocks in projector: 378 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 78 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 8 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 8 Use standard eigh solver. Tree of FC basis block matrices: - (378, 362), data: False |-- (8, 8), data: True |-- (8, 8), data: True |-- (78, 74), data: True |-- (128, 124), data: True |-- (156, 148), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yz) 0.00000000 (yz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:59:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:59:39]------------------------- 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 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1md (109) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.364898989999999 3.364898989999999 2.967059065000000 b 3.364898989999999 -3.364898989999999 2.967059065000000 c 3.364898989999999 3.364898989999999 -2.967059065000000 Atomic positions (fractional): 1 Nb 0.26838238946157 0.76838238946157 0.50000000000000 92.906 2 Nb 0.51838238946157 0.51838238946157 0.00000000000000 92.906 3 Rh 0.74681050940764 0.24681050940764 0.50000000000000 102.906 4 Rh 0.99681050940764 0.99681050940764 0.00000000000000 102.906 5 O 0.25194275757847 0.05732455239835 0.80538179481988 15.999 6 O 0.74046080298691 0.53118192579707 0.79072112281015 15.999 7 O 0.19656096275859 0.50194275757847 0.69461820518012 15.999 8 O 0.69973968017676 0.99046080298691 0.70927887718985 15.999 9 O 0.28118192579706 0.99046080298691 0.29072112281015 15.999 10 O 0.80732455239835 0.50194275757847 0.30538179481988 15.999 11 O 0.25194275757847 0.44656096275859 0.19461820518012 15.999 12 O 0.74046080298691 0.94973968017676 0.20927887718985 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.729797979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.729797979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.868236260000000 Atomic positions (fractional): 1 Nb 0.00000000000000 0.50000000000000 0.38419119473079 92.906 > 1 2 Nb 0.00000000000000 0.50000000000000 0.88419119473079 92.906 > 1 3 Nb 0.00000000000000 0.00000000000000 0.25919119473079 92.906 > 3 4 Nb 0.00000000000000 0.00000000000000 0.75919119473079 92.906 > 3 5 Nb 0.50000000000000 0.00000000000000 0.13419119473079 92.906 > 1 6 Nb 0.50000000000000 0.00000000000000 0.63419119473079 92.906 > 1 7 Nb 0.50000000000000 0.50000000000000 0.00919119473079 92.906 > 3 8 Nb 0.50000000000000 0.50000000000000 0.50919119473079 92.906 > 3 9 Rh 0.50000000000000 0.00000000000000 0.37340525470382 102.906 > 9 10 Rh 0.50000000000000 0.00000000000000 0.87340525470382 102.906 > 9 11 Rh 0.00000000000000 0.00000000000000 0.49840525470382 102.906 > 11 12 Rh 0.00000000000000 0.00000000000000 0.99840525470382 102.906 > 11 13 Rh 0.00000000000000 0.50000000000000 0.12340525470382 102.906 > 9 14 Rh 0.00000000000000 0.50000000000000 0.62340525470382 102.906 > 9 15 Rh 0.50000000000000 0.50000000000000 0.24840525470382 102.906 > 11 16 Rh 0.50000000000000 0.50000000000000 0.74840525470382 102.906 > 11 17 O 0.30538179481988 0.50000000000000 0.37597137878924 15.999 > 17 18 O 0.30538179481988 0.50000000000000 0.87597137878924 15.999 > 17 19 O 0.29072112281015 0.50000000000000 0.12023040149346 15.999 > 19 20 O 0.29072112281015 0.50000000000000 0.62023040149346 15.999 > 19 21 O 0.50000000000000 0.19461820518012 0.00097137878924 15.999 > 21 22 O 0.50000000000000 0.19461820518012 0.50097137878924 15.999 > 21 23 O 0.00000000000000 0.70927887718985 0.49523040149346 15.999 > 23 24 O 0.00000000000000 0.70927887718985 0.99523040149346 15.999 > 23 25 O 0.00000000000000 0.29072112281015 0.49523040149346 15.999 > 25 26 O 0.00000000000000 0.29072112281015 0.99523040149346 15.999 > 25 27 O 0.00000000000000 0.30538179481988 0.25097137878924 15.999 > 27 28 O 0.00000000000000 0.30538179481988 0.75097137878924 15.999 > 27 29 O 0.19461820518012 0.00000000000000 0.12597137878924 15.999 > 29 30 O 0.19461820518012 0.00000000000000 0.62597137878924 15.999 > 29 31 O 0.20927887718985 0.00000000000000 0.37023040149346 15.999 > 31 32 O 0.20927887718985 0.00000000000000 0.87023040149346 15.999 > 31 33 O 0.80538179481988 0.00000000000000 0.12597137878924 15.999 > 17 34 O 0.80538179481988 0.00000000000000 0.62597137878924 15.999 > 17 35 O 0.79072112281015 0.00000000000000 0.37023040149346 15.999 > 19 36 O 0.79072112281015 0.00000000000000 0.87023040149346 15.999 > 19 37 O 0.00000000000000 0.69461820518012 0.25097137878924 15.999 > 21 38 O 0.00000000000000 0.69461820518012 0.75097137878924 15.999 > 21 39 O 0.50000000000000 0.20927887718985 0.24523040149346 15.999 > 23 40 O 0.50000000000000 0.20927887718985 0.74523040149346 15.999 > 23 41 O 0.50000000000000 0.79072112281015 0.24523040149346 15.999 > 25 42 O 0.50000000000000 0.79072112281015 0.74523040149346 15.999 > 25 43 O 0.50000000000000 0.80538179481988 0.00097137878924 15.999 > 27 44 O 0.50000000000000 0.80538179481988 0.50097137878924 15.999 > 27 45 O 0.69461820518012 0.50000000000000 0.37597137878924 15.999 > 29 46 O 0.69461820518012 0.50000000000000 0.87597137878924 15.999 > 29 47 O 0.70927887718985 0.50000000000000 0.12023040149346 15.999 > 31 48 O 0.70927887718985 0.50000000000000 0.62023040149346 15.999 > 31 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.3470566 0.0000000 0.0000000 0.0000000 11.3470566 0.0000000 0.0000000 0.0000000 10.5824420 -------------------------- Born effective charges -------------------------- 1 Nb 8.1386221 0.0000000 0.0000000 0.0000000 6.2203629 0.0000000 0.0000000 0.0000000 7.5947751 2 Nb 6.2203629 0.0000000 0.0000000 0.0000000 8.1386221 0.0000000 0.0000000 0.0000000 7.5947751 3 Rh 1.2667275 0.0000000 0.0000000 0.0000000 0.8898306 0.0000000 0.0000000 0.0000000 1.0011553 4 Rh 0.8898306 0.0000000 0.0000000 0.0000000 1.2667275 0.0000000 0.0000000 0.0000000 1.0011553 5 O -4.6891260 0.0000000 -0.6232094 0.0000000 -0.6991392 0.0000000 -0.2241893 0.0000000 -2.9831447 6 O -2.1667986 0.0000000 0.7578656 0.0000000 -0.7027077 0.0000000 -0.0028537 0.0000000 -1.3148205 7 O -0.6991392 0.0000000 0.0000000 0.0000000 -4.6891260 0.6232094 0.0000000 0.2241893 -2.9831447 8 O -0.7027077 0.0000000 0.0000000 0.0000000 -2.1667986 -0.7578656 0.0000000 0.0028537 -1.3148205 9 O -0.7027077 0.0000000 0.0000000 0.0000000 -2.1667986 0.7578656 0.0000000 -0.0028537 -1.3148205 10 O -0.6991392 0.0000000 0.0000000 0.0000000 -4.6891260 -0.6232094 0.0000000 -0.2241893 -2.9831447 11 O -4.6891260 0.0000000 0.6232094 0.0000000 -0.6991392 0.0000000 0.2241893 0.0000000 -2.9831447 12 O -2.1667986 0.0000000 -0.7578656 0.0000000 -0.7027077 0.0000000 0.0028537 0.0000000 -1.3148205 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000010 (yzy) -0.00000010 (yzy) -0.00000010 (yyz) 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 2026-01-08 23:59:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:59:43]------------------------- 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 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1md (109) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.364898989999999 3.364898989999999 2.967059065000000 b 3.364898989999999 -3.364898989999999 2.967059065000000 c 3.364898989999999 3.364898989999999 -2.967059065000000 Atomic positions (fractional): 1 Nb 0.26838238946157 0.76838238946157 0.50000000000000 92.906 2 Nb 0.51838238946157 0.51838238946157 0.00000000000000 92.906 3 Rh 0.74681050940764 0.24681050940764 0.50000000000000 102.906 4 Rh 0.99681050940764 0.99681050940764 0.00000000000000 102.906 5 O 0.25194275757847 0.05732455239835 0.80538179481988 15.999 6 O 0.74046080298691 0.53118192579707 0.79072112281015 15.999 7 O 0.19656096275859 0.50194275757847 0.69461820518012 15.999 8 O 0.69973968017676 0.99046080298691 0.70927887718985 15.999 9 O 0.28118192579706 0.99046080298691 0.29072112281015 15.999 10 O 0.80732455239835 0.50194275757847 0.30538179481988 15.999 11 O 0.25194275757847 0.44656096275859 0.19461820518012 15.999 12 O 0.74046080298691 0.94973968017676 0.20927887718985 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.729797979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.729797979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.868236260000000 Atomic positions (fractional): 1 Nb 0.00000000000000 0.50000000000000 0.38419119473079 92.906 > 1 2 Nb 0.00000000000000 0.50000000000000 0.88419119473079 92.906 > 1 3 Nb 0.00000000000000 0.00000000000000 0.25919119473079 92.906 > 3 4 Nb 0.00000000000000 0.00000000000000 0.75919119473079 92.906 > 3 5 Nb 0.50000000000000 0.00000000000000 0.13419119473079 92.906 > 1 6 Nb 0.50000000000000 0.00000000000000 0.63419119473079 92.906 > 1 7 Nb 0.50000000000000 0.50000000000000 0.00919119473079 92.906 > 3 8 Nb 0.50000000000000 0.50000000000000 0.50919119473079 92.906 > 3 9 Rh 0.50000000000000 0.00000000000000 0.37340525470382 102.906 > 9 10 Rh 0.50000000000000 0.00000000000000 0.87340525470382 102.906 > 9 11 Rh 0.00000000000000 0.00000000000000 0.49840525470382 102.906 > 11 12 Rh 0.00000000000000 0.00000000000000 0.99840525470382 102.906 > 11 13 Rh 0.00000000000000 0.50000000000000 0.12340525470382 102.906 > 9 14 Rh 0.00000000000000 0.50000000000000 0.62340525470382 102.906 > 9 15 Rh 0.50000000000000 0.50000000000000 0.24840525470382 102.906 > 11 16 Rh 0.50000000000000 0.50000000000000 0.74840525470382 102.906 > 11 17 O 0.30538179481988 0.50000000000000 0.37597137878924 15.999 > 17 18 O 0.30538179481988 0.50000000000000 0.87597137878924 15.999 > 17 19 O 0.29072112281015 0.50000000000000 0.12023040149346 15.999 > 19 20 O 0.29072112281015 0.50000000000000 0.62023040149346 15.999 > 19 21 O 0.50000000000000 0.19461820518012 0.00097137878924 15.999 > 21 22 O 0.50000000000000 0.19461820518012 0.50097137878924 15.999 > 21 23 O 0.00000000000000 0.70927887718985 0.49523040149346 15.999 > 23 24 O 0.00000000000000 0.70927887718985 0.99523040149346 15.999 > 23 25 O 0.00000000000000 0.29072112281015 0.49523040149346 15.999 > 25 26 O 0.00000000000000 0.29072112281015 0.99523040149346 15.999 > 25 27 O 0.00000000000000 0.30538179481988 0.25097137878924 15.999 > 27 28 O 0.00000000000000 0.30538179481988 0.75097137878924 15.999 > 27 29 O 0.19461820518012 0.00000000000000 0.12597137878924 15.999 > 29 30 O 0.19461820518012 0.00000000000000 0.62597137878924 15.999 > 29 31 O 0.20927887718985 0.00000000000000 0.37023040149346 15.999 > 31 32 O 0.20927887718985 0.00000000000000 0.87023040149346 15.999 > 31 33 O 0.80538179481988 0.00000000000000 0.12597137878924 15.999 > 17 34 O 0.80538179481988 0.00000000000000 0.62597137878924 15.999 > 17 35 O 0.79072112281015 0.00000000000000 0.37023040149346 15.999 > 19 36 O 0.79072112281015 0.00000000000000 0.87023040149346 15.999 > 19 37 O 0.00000000000000 0.69461820518012 0.25097137878924 15.999 > 21 38 O 0.00000000000000 0.69461820518012 0.75097137878924 15.999 > 21 39 O 0.50000000000000 0.20927887718985 0.24523040149346 15.999 > 23 40 O 0.50000000000000 0.20927887718985 0.74523040149346 15.999 > 23 41 O 0.50000000000000 0.79072112281015 0.24523040149346 15.999 > 25 42 O 0.50000000000000 0.79072112281015 0.74523040149346 15.999 > 25 43 O 0.50000000000000 0.80538179481988 0.00097137878924 15.999 > 27 44 O 0.50000000000000 0.80538179481988 0.50097137878924 15.999 > 27 45 O 0.69461820518012 0.50000000000000 0.37597137878924 15.999 > 29 46 O 0.69461820518012 0.50000000000000 0.87597137878924 15.999 > 29 47 O 0.70927887718985 0.50000000000000 0.12023040149346 15.999 > 31 48 O 0.70927887718985 0.50000000000000 0.62023040149346 15.999 > 31 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.3470566 0.0000000 0.0000000 0.0000000 11.3470566 0.0000000 0.0000000 0.0000000 10.5824420 -------------------------- Born effective charges -------------------------- 1 Nb 8.1386221 0.0000000 0.0000000 0.0000000 6.2203629 0.0000000 0.0000000 0.0000000 7.5947751 2 Nb 6.2203629 0.0000000 0.0000000 0.0000000 8.1386221 0.0000000 0.0000000 0.0000000 7.5947751 3 Rh 1.2667275 0.0000000 0.0000000 0.0000000 0.8898306 0.0000000 0.0000000 0.0000000 1.0011553 4 Rh 0.8898306 0.0000000 0.0000000 0.0000000 1.2667275 0.0000000 0.0000000 0.0000000 1.0011553 5 O -4.6891260 0.0000000 -0.6232094 0.0000000 -0.6991392 0.0000000 -0.2241893 0.0000000 -2.9831447 6 O -2.1667986 0.0000000 0.7578656 0.0000000 -0.7027077 0.0000000 -0.0028537 0.0000000 -1.3148205 7 O -0.6991392 0.0000000 0.0000000 0.0000000 -4.6891260 0.6232094 0.0000000 0.2241893 -2.9831447 8 O -0.7027077 0.0000000 0.0000000 0.0000000 -2.1667986 -0.7578656 0.0000000 0.0028537 -1.3148205 9 O -0.7027077 0.0000000 0.0000000 0.0000000 -2.1667986 0.7578656 0.0000000 -0.0028537 -1.3148205 10 O -0.6991392 0.0000000 0.0000000 0.0000000 -4.6891260 -0.6232094 0.0000000 -0.2241893 -2.9831447 11 O -4.6891260 0.0000000 0.6232094 0.0000000 -0.6991392 0.0000000 0.2241893 0.0000000 -2.9831447 12 O -2.1667986 0.0000000 -0.7578656 0.0000000 -0.7027077 0.0000000 0.0028537 0.0000000 -1.3148205 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000010 (yzy) -0.00000010 (yzy) -0.00000010 (yyz) Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) --------------------------- 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 ... [ 11 11 11 ] 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: 0.81, Number of G-points: 297, Lambda: 0.28 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.421 ( -0.000 0.000 0.000) 0.000 4.028 ( -0.000 0.000 0.000) 0.000 4.028 ( -0.000 0.000 -0.000) 0.000 5.506 ( -0.000 0.000 -0.000) 0.000 5.570 ( 0.000 0.000 -0.000) 0.000 5.570 ( -0.000 0.000 0.000) 0.000 7.532 ( -0.000 0.000 0.000) 0.000 7.630 ( -0.000 0.000 0.000) 0.000 7.630 ( -0.000 0.000 0.000) 0.000 8.301 ( -0.000 0.000 0.000) 0.000 8.406 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 -0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 -0.000) 0.000 10.521 ( 0.000 0.000 -0.000) 0.000 10.521 ( 0.000 0.000 -0.000) 0.000 10.993 ( -0.000 0.000 0.000) 0.000 12.824 ( -0.000 0.000 0.000) 0.000 13.398 ( -0.000 0.000 0.000) 0.000 13.398 ( 0.000 0.000 0.000) 0.000 14.724 ( -0.000 0.000 0.000) 0.000 14.724 ( 0.000 0.000 0.000) 0.000 14.970 ( -0.000 0.000 -0.000) 0.000 16.049 ( 0.000 0.000 0.000) 0.000 16.315 ( -0.000 0.000 -0.000) 0.000 16.315 ( 0.000 0.000 0.000) 0.000 16.701 ( 0.000 0.000 0.000) 0.000 18.158 ( -0.000 0.000 0.000) 0.000 20.691 ( -0.000 0.000 0.000) 0.000 22.389 ( -0.000 0.000 0.000) 0.000 22.389 ( -0.000 0.000 0.000) 0.000 24.343 ( -0.000 0.000 0.000) 0.000 24.362 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -0.000 11.734 30.143) 32.347 0.901 ( -0.000 31.460 30.289) 43.671 1.533 ( -0.000 50.013 54.056) 73.644 3.535 ( -0.000 2.255 10.444) 10.685 4.052 ( -0.000 10.526 -4.306) 11.373 4.442 ( -0.000 27.740 -20.497) 34.491 5.543 ( -0.000 -4.006 8.094) 9.032 5.642 ( -0.000 1.993 7.333) 7.600 6.054 ( -0.000 33.849 -39.260) 51.837 7.527 ( -0.000 7.892 -5.963) 9.892 7.664 ( -0.000 0.078 3.420) 3.421 7.783 ( -0.000 12.247 -3.447) 12.723 8.316 ( -0.000 2.245 0.557) 2.313 8.658 ( 0.000 0.757 -3.569) 3.649 8.915 ( 0.000 -10.313 5.037) 11.477 9.129 ( 0.000 -7.734 -5.033) 9.228 9.165 ( 0.000 -0.903 -4.686) 4.772 10.472 ( 0.000 -7.589 0.909) 7.643 10.600 ( -0.000 7.397 -6.217) 9.663 11.008 ( -0.000 3.403 -1.570) 3.748 13.255 ( 0.000 -19.522 11.188) 22.500 13.384 ( 0.000 0.060 -1.748) 1.749 13.717 ( 0.000 -31.836 20.537) 37.885 14.653 ( 0.000 -1.080 -8.083) 8.155 15.005 ( -0.000 1.704 2.927) 3.387 15.179 ( -0.000 23.686 -15.387) 28.245 16.163 ( 0.000 -12.376 8.408) 14.962 16.337 ( -0.000 -0.096 2.835) 2.836 16.706 ( 0.000 -2.242 2.249) 3.175 17.261 ( -0.000 23.787 -17.004) 29.240 18.636 ( 0.000 -27.819 26.084) 38.135 20.632 ( 0.000 -2.399 -5.422) 5.929 22.407 ( -0.000 0.085 2.246) 2.248 22.742 ( -0.000 23.726 -20.991) 31.678 24.362 ( 0.000 -0.136 0.086) 0.161 24.418 ( 0.000 -2.393 2.481) 3.447 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -0.000 10.789 29.571) 31.477 1.767 ( -0.000 30.425 27.990) 41.342 2.972 ( -0.000 44.157 49.254) 66.150 3.668 ( -0.000 -0.131 2.220) 2.224 4.282 ( -0.000 20.835 8.160) 22.376 4.563 ( -0.000 26.284 -10.052) 28.140 5.602 ( 0.000 -8.328 6.310) 10.449 5.834 ( -0.000 3.754 11.866) 12.445 5.895 ( 0.000 -2.256 -4.737) 5.247 7.563 ( -0.000 9.170 -5.968) 10.941 7.693 ( 0.000 -3.166 1.933) 3.710 7.889 ( -0.000 7.885 -0.731) 7.919 8.397 ( -0.000 5.460 2.564) 6.032 8.600 ( 0.000 2.497 -5.455) 6.000 8.800 ( 0.000 -10.043 -6.607) 12.022 8.902 ( 0.000 -4.545 -8.110) 9.297 9.048 ( 0.000 -1.227 -8.383) 8.472 10.366 ( 0.000 -11.619 2.651) 11.917 10.609 ( -0.000 3.435 -2.140) 4.047 11.019 ( -0.000 3.606 -3.608) 5.101 13.122 ( 0.000 -14.840 2.041) 14.980 13.350 ( 0.000 0.135 -2.753) 2.757 13.552 ( 0.000 -15.788 0.307) 15.791 14.463 ( 0.000 -1.850 -13.483) 13.609 15.099 ( -0.000 3.193 4.869) 5.822 15.307 ( -0.000 15.928 -3.175) 16.241 16.124 ( 0.000 -8.206 5.138) 9.681 16.392 ( -0.000 -0.157 4.286) 4.289 16.689 ( 0.000 -4.620 1.005) 4.728 17.351 ( -0.000 19.442 -9.282) 21.544 18.673 ( 0.000 -14.608 16.044) 21.698 20.464 ( 0.000 -4.880 -9.830) 10.975 22.456 ( -0.000 0.139 3.741) 3.744 22.739 ( -0.000 7.420 -6.853) 10.101 24.361 ( 0.000 -0.355 0.254) 0.436 24.426 ( -0.000 0.684 0.040) 0.685 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -0.000 8.388 26.835) 28.116 2.572 ( -0.000 29.053 24.344) 37.904 3.638 ( 0.000 2.107 -5.926) 6.289 4.139 ( -0.000 30.103 32.149) 44.043 4.792 ( -0.000 20.927 18.699) 28.064 4.917 ( -0.000 34.254 6.337) 34.835 5.425 ( 0.000 -14.143 -4.809) 14.939 5.944 ( 0.000 -9.827 17.575) 20.136 6.074 ( -0.000 4.281 11.104) 11.900 7.538 ( 0.000 0.260 -6.176) 6.182 7.635 ( 0.000 -6.232 -0.315) 6.239 7.976 ( -0.000 11.261 -5.372) 12.477 8.385 ( 0.000 -1.340 -8.358) 8.465 8.436 ( 0.000 -21.115 -8.831) 22.887 8.701 ( -0.000 11.607 5.075) 12.668 8.803 ( -0.000 6.023 -9.226) 11.018 8.895 ( 0.000 0.075 -9.390) 9.390 10.249 ( 0.000 -13.228 4.200) 13.879 10.626 ( -0.000 1.722 -0.214) 1.736 10.990 ( 0.000 2.287 -5.245) 5.722 12.928 ( 0.000 -13.352 -2.136) 13.522 13.309 ( 0.000 0.214 -2.579) 2.588 13.321 ( 0.000 -9.843 -6.920) 12.032 14.213 ( 0.000 -2.079 -14.932) 15.076 15.236 ( -0.000 3.756 6.545) 7.546 15.488 ( -0.000 10.834 2.212) 11.057 16.108 ( 0.000 -4.551 4.209) 6.199 16.456 ( -0.000 -0.159 4.204) 4.207 16.607 ( 0.000 -5.505 -2.453) 6.027 17.505 ( -0.000 19.042 -4.695) 19.612 18.726 ( 0.000 -10.116 12.374) 15.983 20.211 ( 0.000 -7.085 -12.161) 14.075 22.519 ( -0.000 0.146 4.021) 4.024 22.732 ( -0.000 1.699 -2.078) 2.684 24.361 ( 0.000 -0.391 0.338) 0.517 24.437 ( -0.000 1.607 -0.752) 1.775 ======================= Grid point 4 (5/126) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.000 4.627 19.971) 20.500 3.287 ( -0.000 26.619 19.386) 32.930 3.576 ( 0.000 3.484 -6.503) 7.378 4.728 ( -0.000 12.588 10.170) 16.183 5.084 ( 0.000 -5.134 -10.166) 11.388 5.360 ( -0.000 17.048 20.548) 26.699 5.740 ( -0.000 27.451 27.639) 38.955 6.064 ( 0.000 -11.438 16.980) 20.473 6.238 ( -0.000 1.973 2.943) 3.543 7.411 ( 0.000 -3.545 -6.152) 7.100 7.555 ( 0.000 -6.074 1.803) 6.336 7.948 ( 0.000 -5.528 -9.792) 11.245 8.065 ( 0.000 -4.658 -9.623) 10.691 8.203 ( 0.000 -2.503 -10.172) 10.476 8.732 ( 0.000 0.353 -8.183) 8.191 8.766 ( -0.000 5.219 -5.486) 7.572 8.991 ( -0.000 12.594 5.699) 13.823 10.139 ( 0.000 -12.299 4.065) 12.953 10.649 ( -0.000 0.699 0.963) 1.190 10.929 ( 0.000 0.925 -5.051) 5.135 12.710 ( 0.000 -10.699 -4.363) 11.555 13.107 ( 0.000 -5.530 -6.462) 8.505 13.281 ( 0.000 0.247 -1.397) 1.419 13.975 ( 0.000 -1.664 -12.013) 12.127 15.391 ( -0.000 3.404 7.075) 7.851 15.632 ( -0.000 4.381 2.117) 4.865 16.134 ( -0.000 -0.393 3.347) 3.370 16.485 ( 0.000 -4.448 -3.990) 5.975 16.511 ( -0.000 -0.112 2.990) 2.992 17.709 ( -0.000 16.653 -0.978) 16.682 18.769 ( 0.000 -7.311 8.352) 11.100 19.926 ( 0.000 -7.533 -11.047) 13.371 22.577 ( -0.000 0.108 3.038) 3.040 22.722 ( 0.000 -0.244 -0.372) 0.445 24.361 ( 0.000 -0.248 0.265) 0.363 24.445 ( -0.000 1.369 -0.737) 1.555 ======================= Grid point 5 (6/126) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -0.000 1.187 7.645) 7.737 3.541 ( -0.000 1.900 -2.793) 3.378 3.842 ( -0.000 17.346 10.569) 20.313 4.650 ( 0.000 -14.553 -3.927) 15.074 5.167 ( -0.000 14.705 -0.058) 14.705 5.842 ( -0.000 10.450 16.302) 19.364 5.967 ( 0.000 -10.246 3.907) 10.965 6.186 ( 0.000 -3.329 -8.060) 8.721 6.569 ( -0.000 16.286 25.676) 30.406 7.207 ( 0.000 -4.522 -16.308) 16.924 7.533 ( 0.000 -2.680 2.336) 3.555 7.752 ( 0.000 -13.996 10.739) 17.641 7.907 ( 0.000 7.449 -17.264) 18.802 8.055 ( 0.000 -0.955 -4.728) 4.823 8.638 ( 0.000 0.180 -3.722) 3.727 8.767 ( -0.000 2.058 -1.356) 2.465 9.194 ( -0.000 6.106 2.410) 6.564 10.055 ( 0.000 -5.863 1.706) 6.106 10.670 ( -0.000 0.217 0.718) 0.750 10.877 ( 0.000 0.179 -2.157) 2.165 12.544 ( 0.000 -4.409 -2.487) 5.062 12.990 ( 0.000 -1.728 -2.331) 2.901 13.272 ( 0.000 0.128 -0.259) 0.289 13.825 ( 0.000 -0.654 -4.770) 4.815 15.526 ( -0.000 2.040 4.552) 4.988 15.665 ( 0.000 0.008 -0.790) 0.790 16.181 ( -0.000 0.794 1.509) 1.705 16.390 ( 0.000 -1.828 -1.986) 2.699 16.541 ( -0.000 -0.039 1.077) 1.078 17.882 ( -0.000 7.593 0.376) 7.602 18.783 ( 0.000 -3.237 3.001) 4.414 19.716 ( 0.000 -3.605 -4.803) 6.006 22.610 ( -0.000 0.040 1.126) 1.126 22.716 ( 0.000 -0.283 0.004) 0.283 24.362 ( 0.000 -0.077 0.097) 0.124 24.450 ( -0.000 0.517 -0.290) 0.593 ======================= Grid point 12 (7/126) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 11.334 11.334 29.433) 33.515 1.534 ( 28.431 28.431 23.629) 46.637 2.625 ( 17.613 17.613 64.500) 69.143 3.842 ( 6.588 6.588 16.481) 18.932 3.901 ( 3.275 3.275 -8.433) 9.621 4.393 ( 23.507 23.507 -11.655) 35.229 5.632 ( -5.753 -5.753 8.854) 12.025 5.793 ( -1.712 -1.712 16.336) 16.515 5.945 ( 8.856 8.856 -5.918) 13.852 7.448 ( -0.951 -0.951 -0.236) 1.365 7.758 ( 1.621 1.621 0.282) 2.310 7.836 ( 5.145 5.145 3.506) 8.077 8.354 ( 3.699 3.699 1.852) 5.550 8.584 ( 0.689 0.689 -6.524) 6.596 8.834 ( -0.081 -0.081 -9.528) 9.529 8.990 ( -5.209 -5.209 -8.547) 11.284 9.034 ( -2.239 -2.239 -9.600) 10.109 10.455 ( -6.250 -6.250 2.352) 9.146 10.577 ( 1.818 1.818 -0.809) 2.696 10.990 ( 2.392 2.392 -3.253) 4.693 13.253 ( -7.844 -7.844 0.556) 11.107 13.325 ( -1.599 -1.599 -2.830) 3.622 13.734 ( -17.758 -17.758 3.565) 25.365 14.430 ( -4.171 -4.171 -14.146) 15.327 15.107 ( 1.958 1.958 6.719) 7.267 15.150 ( 18.433 18.433 -8.202) 27.328 16.213 ( -7.841 -7.841 6.104) 12.658 16.346 ( -2.997 -2.997 3.988) 5.820 16.810 ( 4.366 4.366 2.793) 6.777 17.138 ( 12.523 12.523 -12.805) 21.855 18.808 ( -13.766 -13.766 16.126) 25.280 20.494 ( -2.951 -2.951 -9.682) 10.543 22.450 ( -0.300 -0.300 3.840) 3.863 22.667 ( 9.755 9.755 -6.151) 15.105 24.364 ( 0.198 0.198 0.001) 0.280 24.424 ( -0.820 -0.820 0.292) 1.196 ======================= Grid point 13 (8/126) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 12.954 8.557 27.976) 31.995 2.297 ( 18.547 29.396 23.230) 41.807 3.704 ( 8.524 3.930 12.484) 15.619 3.822 ( 8.301 14.693 25.025) 30.184 4.350 ( -2.457 30.270 14.295) 33.566 4.678 ( 15.276 21.714 9.602) 28.232 5.611 ( -2.986 -13.134 2.593) 13.717 5.990 ( -3.475 -0.067 6.444) 7.321 6.046 ( -2.021 -3.916 20.055) 20.534 7.465 ( -1.424 2.813 -1.358) 3.433 7.736 ( -0.398 -0.758 -2.788) 2.916 7.914 ( 4.155 -0.119 0.345) 4.171 8.412 ( 3.174 0.468 -5.581) 6.437 8.531 ( -2.085 8.296 -3.217) 9.138 8.682 ( 2.813 -8.891 -8.948) 12.924 8.752 ( 3.583 3.842 -9.950) 11.252 8.858 ( -4.841 0.698 -11.835) 12.806 10.384 ( -4.687 -10.636 3.633) 12.177 10.602 ( -0.736 0.853 1.436) 1.825 10.963 ( 1.142 2.433 -4.685) 5.401 13.101 ( -3.896 -13.539 -0.525) 14.098 13.271 ( -4.404 -0.548 -2.715) 5.202 13.490 ( -3.025 -14.300 -5.028) 15.457 14.151 ( -10.060 -2.297 -15.948) 18.995 15.235 ( 6.925 3.366 6.280) 9.936 15.349 ( 7.976 16.735 0.388) 18.542 16.180 ( -3.060 -7.797 4.476) 9.497 16.381 ( -6.803 -1.148 3.342) 7.666 16.827 ( 16.396 -4.242 -0.494) 16.943 17.208 ( -0.833 21.819 -8.586) 23.462 18.852 ( -6.679 -12.897 13.596) 19.895 20.266 ( -3.797 -5.427 -12.231) 13.910 22.512 ( -0.554 0.075 4.215) 4.252 22.708 ( 3.848 5.083 -2.389) 6.808 24.367 ( 0.451 0.082 0.142) 0.480 24.419 ( -0.224 0.511 -0.474) 0.732 ======================= Grid point 14 (9/126) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 14.177 5.909 23.029) 27.681 3.014 ( 12.783 26.012 21.036) 35.813 3.637 ( 12.534 -0.535 -4.542) 13.343 4.403 ( -4.198 26.046 4.474) 26.758 5.095 ( -1.893 18.507 24.352) 30.645 5.198 ( 5.897 2.897 13.989) 15.455 5.499 ( 4.028 5.294 17.221) 18.461 6.110 ( -8.793 -1.722 8.889) 12.621 6.256 ( -1.589 -7.537 15.452) 17.266 7.423 ( -0.839 -3.149 -4.194) 5.311 7.681 ( 1.341 -1.199 -3.049) 3.540 7.850 ( 0.124 2.487 -8.707) 9.056 8.246 ( 2.620 -3.344 -10.497) 11.324 8.327 ( 4.499 -14.983 -9.501) 18.303 8.607 ( -4.796 9.603 -6.212) 12.402 8.710 ( -2.856 3.537 -9.628) 10.647 8.867 ( 8.201 13.307 3.063) 15.928 10.281 ( -4.229 -12.294 3.066) 13.358 10.639 ( -1.494 -0.706 3.231) 3.629 10.914 ( 0.112 1.171 -4.570) 4.719 12.889 ( -1.939 -15.681 -0.954) 15.829 13.189 ( -2.879 -6.699 -4.923) 8.798 13.276 ( -0.567 -2.757 -3.238) 4.290 13.899 ( -12.597 -1.340 -13.038) 18.179 15.387 ( 5.984 3.529 6.957) 9.832 15.564 ( 5.640 10.894 1.948) 12.421 16.158 ( -1.223 -3.905 3.253) 5.228 16.398 ( -7.554 -1.695 1.024) 7.809 16.736 ( 17.732 -3.976 -2.465) 18.339 17.423 ( -1.907 22.803 -3.814) 23.198 18.875 ( -4.140 -11.179 10.417) 15.831 19.990 ( -4.728 -7.054 -12.148) 14.821 22.573 ( -0.243 0.174 3.275) 3.289 22.726 ( 1.913 1.651 -1.152) 2.777 24.369 ( 0.679 -0.166 0.192) 0.725 24.424 ( -0.092 1.467 -0.657) 1.610 ======================= Grid point 15 (10/126) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 18.417 2.097 11.273) 21.695 3.555 ( 6.299 7.530 2.435) 10.114 3.667 ( 11.326 12.365 15.025) 22.515 4.786 ( -4.161 23.858 -0.154) 24.219 4.960 ( 2.941 -15.670 -6.470) 17.206 5.635 ( -9.562 7.418 20.767) 24.036 6.021 ( -7.100 0.046 5.342) 8.885 6.264 ( -2.958 -11.697 2.611) 12.345 6.395 ( 7.634 16.548 29.196) 34.417 7.251 ( 0.017 -3.951 -13.057) 13.642 7.611 ( 2.530 -1.711 -2.582) 3.999 7.743 ( -1.917 5.290 -13.421) 14.552 8.004 ( 4.218 -13.164 -1.228) 13.877 8.113 ( 4.768 -0.750 -4.973) 6.930 8.583 ( -3.971 3.565 -5.598) 7.734 8.714 ( 0.030 6.122 -1.282) 6.255 9.094 ( 5.178 12.247 2.259) 13.487 10.147 ( -3.960 -10.668 -0.095) 11.380 10.676 ( -1.269 -2.176 3.768) 4.533 10.868 ( -1.048 -0.022 -1.863) 2.138 12.673 ( 0.081 -13.520 -0.102) 13.520 13.034 ( -0.170 -4.886 -2.634) 5.553 13.248 ( -3.244 -0.021 -0.206) 3.251 13.736 ( -13.117 -0.436 -5.936) 14.404 15.527 ( 4.715 2.896 5.004) 7.461 15.670 ( 4.335 3.795 -1.180) 5.881 16.175 ( -0.105 -0.243 2.188) 2.204 16.369 ( -5.415 -2.168 -0.769) 5.883 16.672 ( 15.432 -1.743 -0.835) 15.553 17.680 ( -0.737 20.284 -1.857) 20.383 18.861 ( -3.158 -10.120 6.320) 12.342 19.738 ( -5.700 -5.601 -8.069) 11.357 22.612 ( 0.263 0.145 1.347) 1.380 22.722 ( 1.038 0.432 -1.004) 1.507 24.369 ( 0.810 -0.139 0.054) 0.824 24.437 ( -0.061 1.357 -0.305) 1.392 ======================= Grid point 16 (11/126) ======================= q-point: (-0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 21.767 -1.655 -4.472) 22.283 3.614 ( 5.359 -2.084 6.370) 8.581 4.018 ( 6.226 -0.510 5.792) 8.519 4.625 ( 6.795 -5.809 -4.360) 9.946 5.122 ( -5.796 15.707 -0.542) 16.751 5.761 ( -17.707 -6.546 -4.530) 19.414 6.025 ( -0.260 -8.854 -6.432) 10.947 6.138 ( -4.360 -1.048 9.603) 10.598 6.806 ( 7.972 -9.912 -14.941) 19.622 7.106 ( -0.171 9.874 15.042) 17.994 7.542 ( -0.070 7.615 -14.733) 16.585 7.592 ( 7.113 4.421 -6.588) 10.656 7.969 ( -2.512 -6.078 11.534) 13.277 8.121 ( 6.510 -0.714 6.503) 9.229 8.593 ( -3.067 2.851 1.483) 4.442 8.770 ( 0.164 1.940 1.066) 2.220 9.226 ( 3.498 4.945 -1.471) 6.233 10.012 ( -3.512 -3.233 -4.008) 6.233 10.686 ( -1.109 -3.288 2.223) 4.121 10.871 ( -1.595 -0.383 2.712) 3.170 12.565 ( 0.966 -6.317 4.369) 7.741 12.987 ( -0.101 -1.472 2.120) 2.583 13.250 ( -3.425 -0.144 0.524) 3.467 13.721 ( -13.034 0.733 3.688) 13.565 15.573 ( 3.782 -0.170 -3.268) 5.002 15.676 ( 3.719 2.128 -1.062) 4.415 16.190 ( 0.106 -0.434 -0.388) 0.592 16.343 ( -4.221 -0.697 0.428) 4.299 16.653 ( 14.566 -0.338 -0.008) 14.570 17.862 ( 0.196 10.473 -3.176) 10.946 18.797 ( -2.897 -7.984 1.728) 8.667 19.641 ( -6.276 0.889 0.788) 6.388 22.615 ( 0.544 -0.057 -1.064) 1.196 22.713 ( 0.661 0.820 -1.049) 1.486 24.367 ( 0.867 -0.025 -0.126) 0.876 24.450 ( -0.072 0.557 0.243) 0.612 ======================= Grid point 17 (12/126) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 21.623 -6.173 -14.866) 26.957 3.672 ( 5.984 -11.130 -1.251) 12.698 3.721 ( 9.015 -18.360 -4.838) 21.019 4.722 ( 4.640 9.754 -0.015) 10.801 5.125 ( -5.524 -9.027 -0.080) 10.583 5.523 ( -9.812 -11.999 -12.182) 19.714 5.828 ( -3.106 6.267 -11.380) 13.357 6.149 ( -2.797 -16.203 -15.968) 22.920 6.289 ( 3.106 -11.001 -9.262) 14.712 7.331 ( 0.897 6.160 -0.041) 6.225 7.483 ( -0.395 10.306 -4.743) 11.352 7.784 ( 9.771 14.136 10.282) 20.025 8.097 ( -4.644 -3.862 11.424) 12.923 8.245 ( 5.654 -2.337 10.912) 12.511 8.689 ( -3.616 1.690 6.129) 7.314 8.803 ( -0.891 -0.958 3.032) 3.303 9.159 ( 4.379 -6.012 -5.831) 9.451 9.970 ( -3.417 8.230 -5.657) 10.555 10.665 ( -1.326 -3.382 1.523) 3.939 10.933 ( -1.113 -0.567 5.708) 5.843 12.632 ( 0.863 1.307 7.696) 7.854 13.055 ( -0.243 1.904 6.106) 6.401 13.264 ( -3.001 -0.184 1.754) 3.481 13.857 ( -12.737 1.773 11.284) 17.109 15.462 ( 3.814 -2.222 -7.386) 8.605 15.675 ( 3.064 1.217 -3.057) 4.496 16.147 ( 0.192 -1.729 -2.895) 3.377 16.355 ( -6.320 0.950 0.106) 6.392 16.663 ( 16.596 1.148 0.814) 16.655 17.847 ( -0.168 -3.092 -4.428) 5.404 18.715 ( -2.620 -3.040 -2.559) 4.760 19.783 ( -5.907 7.418 9.158) 13.182 22.579 ( 0.198 -0.268 -3.118) 3.136 22.716 ( 0.863 1.745 -0.779) 2.097 24.365 ( 0.876 0.101 -0.309) 0.934 24.458 ( -0.128 -0.508 0.744) 0.910 ======================= Grid point 18 (13/126) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 22.190 -11.332 -19.239) 31.479 3.049 ( 13.089 -26.922 -22.812) 37.636 3.752 ( 8.328 -4.510 6.788) 11.653 4.496 ( -2.905 -22.976 -16.195) 28.260 5.023 ( -4.798 -16.098 -13.912) 21.811 5.268 ( 3.951 1.180 5.703) 7.038 5.435 ( 4.666 -26.952 -17.129) 32.274 5.762 ( -5.155 11.280 -15.752) 20.049 6.119 ( -3.674 -6.055 -7.074) 10.010 7.429 ( -2.468 5.316 2.534) 6.386 7.639 ( 6.589 11.393 3.250) 13.556 8.100 ( -3.809 -6.736 10.271) 12.860 8.189 ( 3.742 12.623 5.866) 14.414 8.394 ( 4.028 0.713 9.719) 10.544 8.779 ( -4.005 -3.793 3.208) 6.381 8.859 ( -3.550 -0.470 6.141) 7.109 8.954 ( 6.496 -7.122 -4.348) 10.575 10.041 ( -3.583 13.572 -5.155) 14.953 10.651 ( -0.960 -3.198 2.508) 4.176 11.013 ( -0.555 -1.348 5.922) 6.099 12.794 ( 0.083 5.592 6.165) 8.324 13.205 ( -2.050 4.112 6.597) 8.039 13.307 ( -0.849 0.975 3.703) 3.922 14.091 ( -12.128 2.447 14.700) 19.214 15.312 ( 3.626 -2.842 -7.319) 8.648 15.609 ( 3.642 -2.160 -4.460) 6.150 16.078 ( -0.041 -0.359 -3.544) 3.562 16.351 ( -7.897 1.072 -2.621) 8.389 16.709 ( 17.440 3.333 0.819) 17.775 17.695 ( -1.215 -9.777 -2.384) 10.137 18.633 ( -2.143 0.060 -5.632) 6.026 20.068 ( -5.035 9.017 11.892) 15.750 22.518 ( -0.391 -0.325 -4.131) 4.162 22.739 ( 1.245 2.167 0.475) 2.543 24.361 ( 0.845 0.284 -0.434) 0.992 24.457 ( -0.236 -1.528 0.953) 1.816 ======================= Grid point 19 (14/126) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 25.124 -16.072 -18.423) 35.056 2.304 ( 22.321 -25.124 -27.713) 43.560 3.615 ( -0.797 -42.605 -24.072) 48.941 3.807 ( 12.688 -9.066 -3.621) 16.009 4.503 ( -8.533 -24.561 -9.859) 27.807 4.947 ( 10.120 -17.297 -3.409) 20.328 5.448 ( -3.287 8.948 -4.966) 10.748 5.709 ( -8.770 4.919 -7.361) 12.462 6.001 ( 8.289 0.841 4.494) 9.466 7.508 ( -7.311 -0.300 2.056) 7.600 7.810 ( 11.272 3.235 4.712) 12.638 8.030 ( -2.421 -13.844 6.458) 15.467 8.475 ( 2.571 -0.953 0.499) 2.787 8.567 ( 1.665 18.174 5.680) 19.113 8.664 ( 1.126 -5.296 1.085) 5.522 8.901 ( -0.804 -1.858 2.156) 2.958 8.993 ( -4.107 1.958 6.564) 7.987 10.163 ( -3.957 13.975 -3.472) 14.933 10.656 ( -0.014 -3.487 4.066) 5.357 11.066 ( 0.142 -2.610 4.232) 4.975 12.945 ( -1.146 7.812 0.956) 7.954 13.307 ( -4.689 0.847 2.970) 5.615 13.422 ( 1.255 6.088 3.189) 6.987 14.350 ( -10.546 2.781 13.783) 17.576 15.170 ( 3.237 -2.997 -5.824) 7.306 15.499 ( 4.915 -5.889 -1.889) 7.900 16.042 ( -0.693 2.671 -3.069) 4.126 16.311 ( -7.555 0.851 -3.904) 8.546 16.759 ( 15.501 4.178 -1.442) 16.118 17.542 ( -1.743 -9.780 0.329) 9.939 18.542 ( -1.602 0.853 -7.071) 7.300 20.354 ( -4.165 7.435 10.022) 13.155 22.451 ( -0.869 -0.271 -3.843) 3.950 22.795 ( 1.660 1.523 3.849) 4.460 24.360 ( 0.796 0.483 -0.444) 1.032 24.444 ( -0.410 -2.176 0.569) 2.287 ======================= Grid point 20 (15/126) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 25.639 -22.120 -11.780) 35.853 1.566 ( 44.614 -18.826 -26.965) 55.425 2.408 ( 4.609 -66.093 -26.693) 71.429 3.691 ( 13.533 -4.529 -6.797) 15.807 4.153 ( -10.052 -16.931 1.559) 19.751 4.759 ( 9.655 -10.800 2.118) 14.641 5.434 ( -4.192 7.009 -7.350) 10.988 5.599 ( -7.429 -1.430 -6.371) 9.890 6.343 ( 13.675 8.988 25.918) 30.652 7.478 ( -11.859 -5.612 0.319) 13.124 7.861 ( 11.314 -3.027 1.656) 11.829 7.994 ( 3.643 -13.930 15.747) 21.337 8.377 ( 2.703 -4.543 -1.603) 5.524 8.678 ( 0.592 -1.384 3.596) 3.898 8.804 ( -0.747 4.431 -8.618) 9.719 8.953 ( -2.366 12.953 2.306) 13.367 9.107 ( -5.756 2.421 3.937) 7.382 10.302 ( -4.994 11.722 -1.437) 12.822 10.689 ( 1.365 -3.386 6.725) 7.652 11.071 ( 1.286 -3.482 1.950) 4.193 12.993 ( -3.175 8.066 -10.835) 13.876 13.350 ( -3.707 0.527 1.658) 4.095 13.511 ( -0.380 5.761 -2.476) 6.282 14.565 ( -7.687 2.883 8.524) 11.835 15.059 ( 2.703 -2.714 -3.400) 5.122 15.417 ( 5.431 -6.371 2.674) 8.788 16.046 ( -1.400 3.567 -2.642) 4.655 16.268 ( -6.364 1.083 -2.875) 7.067 16.774 ( 11.747 2.359 -2.166) 12.175 17.459 ( -1.598 -5.510 3.146) 6.544 18.426 ( -0.552 -0.201 -9.558) 9.576 20.559 ( -3.445 4.994 5.553) 8.225 22.400 ( -0.977 -0.087 -2.306) 2.505 22.912 ( 1.741 0.702 10.182) 10.354 24.361 ( 0.822 0.586 -0.385) 1.080 24.414 ( -0.607 -2.261 -0.784) 2.469 ======================= Grid point 21 (16/126) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 24.828 -24.828 0.000) 35.111 1.118 ( 40.891 -40.891 0.000) 57.828 1.190 ( 43.617 -43.617 0.000) 61.683 3.535 ( 7.990 -7.990 0.000) 11.300 4.052 ( 1.546 -1.546 0.000) 2.186 4.683 ( 5.654 -5.654 0.000) 7.996 5.451 ( -3.989 3.989 -0.000) 5.641 5.543 ( -1.757 1.757 -0.000) 2.485 6.821 ( -6.327 6.327 -0.000) 8.947 7.429 ( -3.558 3.558 -0.000) 5.032 7.791 ( 7.573 -7.573 0.000) 10.710 8.214 ( -1.164 1.164 -0.000) 1.646 8.381 ( 3.500 -3.500 0.000) 4.950 8.488 ( 5.483 -5.483 0.000) 7.755 8.691 ( 0.765 -0.765 0.000) 1.083 9.125 ( -5.968 5.968 -0.000) 8.439 9.178 ( -3.735 3.735 -0.000) 5.282 10.421 ( -6.763 6.763 -0.000) 9.564 10.759 ( 0.142 -0.142 0.000) 0.201 11.040 ( 2.782 -2.782 0.000) 3.934 12.839 ( 1.172 -1.172 0.000) 1.657 13.376 ( -1.508 1.508 -0.000) 2.133 13.525 ( -1.245 1.245 -0.000) 1.760 14.675 ( -3.572 3.572 -0.000) 5.051 14.999 ( 2.024 -2.024 0.000) 2.862 15.406 ( 2.485 -2.485 0.000) 3.514 16.040 ( -0.667 0.667 -0.000) 0.943 16.269 ( -2.940 2.940 -0.000) 4.158 16.755 ( 3.604 -3.604 0.000) 5.097 17.512 ( -3.669 3.669 -0.000) 5.189 18.244 ( 5.825 -5.825 0.000) 8.238 20.654 ( -2.732 2.732 -0.000) 3.864 22.384 ( -0.385 0.385 -0.000) 0.544 23.090 ( -3.512 3.512 -0.000) 4.966 24.364 ( 1.436 -1.436 0.000) 2.031 24.364 ( 0.142 -0.142 0.000) 0.200 ======================= Grid point 24 (17/126) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 10.290 10.290 25.515) 29.373 2.928 ( 24.515 24.515 19.529) 39.791 3.848 ( 8.374 8.374 -3.910) 12.472 4.069 ( 10.815 10.815 -0.274) 15.297 4.925 ( 10.438 10.438 32.485) 35.682 5.192 ( 14.935 14.935 32.391) 38.669 5.560 ( -9.012 -9.012 -1.154) 12.797 6.025 ( -3.234 -3.234 8.549) 9.695 6.304 ( -7.319 -7.319 19.129) 21.750 7.476 ( 2.161 2.161 -0.143) 3.059 7.605 ( -2.338 -2.338 -9.392) 9.957 7.906 ( -2.285 -2.285 -5.470) 6.353 8.316 ( 2.587 2.587 -12.831) 13.343 8.450 ( 2.716 2.716 -2.057) 4.357 8.556 ( -2.568 -2.568 -15.262) 15.689 8.580 ( -1.445 -1.445 -6.967) 7.260 8.838 ( 11.981 11.981 1.337) 16.996 10.339 ( -9.149 -9.149 2.491) 13.177 10.632 ( -1.444 -1.444 4.343) 4.800 10.906 ( 0.824 0.824 -4.401) 4.553 13.005 ( -10.282 -10.282 0.622) 14.555 13.182 ( -3.011 -3.011 -1.732) 4.597 13.340 ( -6.117 -6.117 -5.830) 10.432 13.781 ( -7.923 -7.923 -14.347) 18.204 15.421 ( 2.568 2.568 8.136) 8.909 15.514 ( 13.971 13.971 0.739) 19.772 16.183 ( -4.187 -4.187 3.008) 6.642 16.353 ( -3.238 -3.238 1.623) 4.859 17.067 ( 7.884 7.884 2.625) 11.455 17.070 ( 10.927 10.927 -10.487) 18.676 18.928 ( -9.081 -9.081 10.610) 16.659 20.002 ( -6.665 -6.665 -12.454) 15.619 22.569 ( 0.022 0.022 3.469) 3.469 22.728 ( 2.695 2.695 -1.418) 4.066 24.378 ( 0.569 0.569 0.240) 0.839 24.411 ( 0.461 0.461 -0.687) 0.947 ======================= Grid point 25 (18/126) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 16.318 5.864 19.718) 26.257 3.506 ( 20.190 21.539 11.919) 31.837 3.841 ( 18.622 -2.386 3.557) 19.108 4.312 ( -5.113 28.901 -4.897) 29.755 5.272 ( 2.417 -17.736 -1.474) 17.961 5.439 ( -8.859 1.525 18.225) 20.321 5.846 ( -4.766 8.954 15.866) 18.831 6.314 ( 8.129 10.103 26.843) 29.810 6.364 ( -10.085 -13.417 7.775) 18.498 7.340 ( 4.425 -4.176 -13.918) 15.189 7.523 ( -3.731 7.152 -9.728) 12.638 7.770 ( 1.481 -3.123 -3.289) 4.771 8.171 ( 4.079 0.871 -7.184) 8.308 8.238 ( 5.464 -8.815 -10.625) 14.847 8.460 ( -4.619 4.643 -4.107) 7.730 8.615 ( 0.303 6.841 1.782) 7.075 9.030 ( 10.322 12.637 0.862) 16.339 10.214 ( -7.854 -10.583 -1.244) 13.238 10.688 ( -2.169 -2.776 6.267) 7.189 10.855 ( -1.263 -0.597 -2.139) 2.555 12.858 ( -4.519 -14.881 2.886) 15.818 13.106 ( -1.579 -6.094 -1.821) 6.553 13.203 ( -4.155 -2.073 -1.935) 5.031 13.541 ( -14.993 -2.588 -7.164) 16.817 15.554 ( 3.628 2.205 4.939) 6.513 15.675 ( 8.304 8.184 -1.056) 11.707 16.182 ( -0.945 -1.557 2.321) 2.951 16.331 ( -3.835 -2.025 0.017) 4.337 16.964 ( 22.513 -1.960 -3.139) 22.815 17.351 ( -2.189 23.667 -1.427) 23.811 18.938 ( -6.452 -9.872 7.495) 13.974 19.727 ( -8.405 -7.576 -9.925) 15.051 22.612 ( 0.336 0.358 1.621) 1.694 22.730 ( 1.578 1.160 -1.727) 2.612 24.385 ( 1.260 -0.016 0.179) 1.272 24.416 ( 0.042 1.529 -0.436) 1.591 ======================= Grid point 26 (19/126) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 29.304 -0.919 4.559) 29.671 3.715 ( 10.633 1.600 3.735) 11.383 4.090 ( 13.234 7.242 14.935) 21.228 4.648 ( -7.615 28.438 -4.961) 29.855 4.944 ( 7.125 -14.099 -6.181) 16.964 5.591 ( -19.722 -5.891 1.892) 20.670 6.084 ( -2.377 -0.021 12.387) 12.613 6.121 ( -15.737 -18.445 -5.274) 24.813 6.947 ( 2.891 13.542 10.858) 17.597 7.038 ( 12.063 -2.562 -8.692) 15.087 7.416 ( -0.157 7.859 -14.412) 16.416 7.714 ( 7.575 -3.054 -0.652) 8.194 8.043 ( 2.088 -2.900 -0.844) 3.672 8.178 ( 3.781 1.366 4.390) 5.952 8.505 ( -2.573 4.254 2.292) 5.475 8.724 ( -0.939 3.155 2.558) 4.169 9.184 ( 7.282 10.694 -1.882) 13.074 10.029 ( -6.388 -8.197 -5.612) 11.811 10.727 ( -1.480 -5.105 4.862) 7.204 10.844 ( -3.434 -0.775 2.742) 4.462 12.721 ( 0.294 -13.999 6.193) 15.311 13.023 ( -0.516 -4.258 1.733) 4.626 13.190 ( -5.605 -0.159 0.619) 5.642 13.494 ( -17.594 0.141 2.964) 17.842 15.614 ( 3.049 1.102 -1.192) 3.454 15.702 ( 5.269 3.502 -4.151) 7.567 16.197 ( 0.131 -0.446 0.517) 0.696 16.304 ( -3.516 -1.210 -0.473) 3.748 16.922 ( 22.773 -1.058 -0.039) 22.798 17.634 ( -0.657 21.335 -2.930) 21.545 18.889 ( -4.337 -11.380 4.814) 13.095 19.539 ( -10.502 -3.446 -3.113) 11.483 22.624 ( 0.838 0.272 -0.829) 1.210 22.712 ( 0.916 0.934 -2.178) 2.540 24.385 ( 1.526 -0.112 -0.041) 1.531 24.434 ( -0.114 1.429 0.126) 1.439 ======================= Grid point 27 (20/126) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 34.593 -8.642 -7.861) 36.513 3.817 ( 6.257 -1.440 7.647) 9.985 4.131 ( 9.636 -16.462 -5.990) 19.993 4.729 ( 12.747 6.981 -1.159) 14.580 5.012 ( -7.849 13.528 0.130) 15.641 5.420 ( -16.676 -8.148 -7.101) 19.872 5.775 ( -14.639 -11.264 -10.551) 21.273 6.194 ( -5.655 -7.270 5.031) 10.495 6.585 ( 7.229 -11.575 -22.411) 26.239 7.176 ( 1.872 16.481 -14.730) 22.183 7.446 ( 5.521 -0.916 5.924) 8.150 7.799 ( 11.408 8.027 11.016) 17.774 8.089 ( -1.150 -1.551 7.981) 8.211 8.315 ( 2.569 2.119 8.783) 9.393 8.624 ( -1.315 1.978 6.575) 6.991 8.772 ( -3.700 0.339 1.334) 3.948 9.239 ( 5.744 4.414 -5.155) 8.891 9.854 ( -5.303 -0.385 -8.120) 9.706 10.709 ( -1.608 -5.956 3.571) 7.128 10.911 ( -3.202 -0.469 6.269) 7.055 12.698 ( 1.876 -7.916 10.075) 12.949 13.047 ( -0.615 -1.318 5.879) 6.057 13.210 ( -5.049 -0.064 2.398) 5.589 13.619 ( -17.736 1.693 10.982) 20.929 15.538 ( 3.672 -1.381 -7.019) 8.041 15.681 ( 2.629 3.412 -4.941) 6.555 16.172 ( 0.288 -1.265 -2.296) 2.637 16.284 ( -4.005 -0.225 -1.135) 4.169 16.923 ( 22.543 0.022 0.840) 22.558 17.784 ( 0.062 11.496 -7.450) 13.699 18.787 ( -2.726 -12.190 3.412) 12.948 19.578 ( -11.165 5.201 6.581) 13.965 22.591 ( 0.914 -0.347 -3.232) 3.376 22.698 ( 0.552 2.182 -2.133) 3.101 24.382 ( 1.626 -0.088 -0.202) 1.641 24.455 ( -0.230 0.630 0.601) 0.900 ======================= Grid point 28 (21/126) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 32.954 -15.444 -10.695) 37.932 3.601 ( 18.198 -20.914 -18.937) 33.573 3.931 ( 8.622 -3.613 5.039) 10.620 4.677 ( -2.901 -11.428 -9.216) 14.965 5.087 ( -0.641 -1.608 0.218) 1.745 5.268 ( -7.132 1.770 -6.234) 9.637 5.551 ( -10.144 0.255 -8.067) 12.963 5.896 ( 6.074 -25.006 -18.479) 31.681 6.169 ( -2.672 -9.842 -5.429) 11.553 7.270 ( 0.210 22.225 -7.636) 23.501 7.545 ( 5.899 4.593 6.543) 9.935 8.100 ( 7.061 6.239 11.480) 14.852 8.176 ( -2.645 -3.483 7.138) 8.371 8.465 ( 3.510 -0.989 9.243) 9.936 8.727 ( -4.286 0.380 5.004) 6.599 8.811 ( -4.280 0.232 3.118) 5.300 9.131 ( 6.937 -3.886 -8.207) 11.427 9.806 ( -6.034 10.474 -7.154) 14.046 10.694 ( -0.846 -5.146 4.530) 6.908 11.006 ( -2.438 -0.436 6.393) 6.855 12.789 ( 1.734 -2.903 10.133) 10.682 13.147 ( -1.929 0.712 6.583) 6.896 13.268 ( -2.590 0.925 4.755) 5.493 13.853 ( -16.702 2.888 14.891) 22.563 15.397 ( 3.498 -2.478 -7.413) 8.563 15.637 ( 1.774 2.745 -6.007) 6.839 16.102 ( 0.645 -1.772 -3.600) 4.064 16.255 ( -4.935 0.438 -2.918) 5.750 16.938 ( 20.802 1.634 -0.646) 20.876 17.731 ( -0.920 1.906 -9.795) 10.022 18.685 ( -0.831 -10.673 3.787) 11.355 19.836 ( -9.823 10.127 11.580) 18.252 22.523 ( 0.323 -0.668 -4.419) 4.481 22.708 ( 0.353 3.705 -1.610) 4.055 24.377 ( 1.679 -0.009 -0.343) 1.714 24.467 ( -0.393 -0.501 0.892) 1.096 ======================= Grid point 29 (22/126) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 28.599 -21.862 -9.860) 37.324 3.001 ( 35.506 -18.261 -22.180) 45.673 3.925 ( 6.459 -6.800 0.382) 9.386 4.226 ( -3.637 -28.772 -11.018) 31.024 4.777 ( 0.231 -24.590 -14.067) 28.330 5.252 ( -2.222 3.163 -12.146) 12.746 5.325 ( 4.509 -11.717 -7.926) 14.848 5.552 ( -4.284 1.886 1.129) 4.815 6.058 ( 1.122 -1.224 3.557) 3.926 7.427 ( -2.212 6.243 -0.021) 6.623 7.779 ( 4.284 15.436 3.761) 16.455 8.154 ( -3.894 -10.680 8.185) 14.008 8.371 ( 7.464 11.981 5.042) 14.989 8.569 ( 3.151 -1.346 5.615) 6.578 8.767 ( -0.272 -5.954 0.211) 5.964 8.835 ( -9.371 -0.064 3.017) 9.845 8.986 ( 4.582 -1.149 -3.142) 5.674 9.891 ( -7.199 14.713 -4.840) 17.080 10.708 ( 0.405 -4.039 5.232) 6.622 11.083 ( -1.438 -1.028 4.697) 5.019 12.899 ( 1.135 -0.780 6.715) 6.855 13.236 ( -3.845 0.544 3.853) 5.471 13.372 ( -0.233 3.026 4.070) 5.077 14.132 ( -14.188 4.178 14.480) 20.699 15.256 ( 3.263 -3.157 -5.702) 7.289 15.580 ( 2.253 0.770 -4.327) 4.938 16.032 ( 0.416 -0.720 -2.863) 2.981 16.209 ( -5.455 0.933 -4.042) 6.853 16.939 ( 17.118 2.548 -3.033) 17.571 17.581 ( -2.400 -1.228 -9.300) 9.683 18.613 ( 2.045 -9.986 4.743) 11.242 20.152 ( -8.096 10.065 10.521) 16.659 22.447 ( -0.390 -0.594 -4.142) 4.203 22.754 ( -0.340 5.048 0.024) 5.060 24.372 ( 1.684 0.168 -0.358) 1.730 24.466 ( -0.522 -1.713 0.798) 1.960 ======================= Grid point 30 (23/126) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 22.360 -26.780 -7.897) 35.770 2.494 ( 58.006 -12.401 -15.046) 61.195 3.326 ( 2.852 -58.529 -13.193) 60.066 3.954 ( 15.559 -2.145 -3.585) 16.110 4.267 ( -8.716 -21.721 -5.286) 23.994 5.035 ( 9.586 -10.224 -2.660) 14.265 5.248 ( -7.252 8.964 -8.446) 14.292 5.538 ( -3.515 -2.313 -1.672) 4.528 6.293 ( 3.589 12.062 13.608) 18.536 7.426 ( -5.213 -3.345 -1.207) 6.310 7.965 ( 4.693 5.656 0.596) 7.373 8.175 ( 1.058 -8.221 10.953) 13.736 8.506 ( 5.213 -4.376 -0.421) 6.819 8.644 ( 1.392 12.291 1.774) 12.496 8.731 ( 1.818 0.080 2.730) 3.281 8.851 ( -4.765 -1.962 -2.090) 5.561 8.971 ( -6.214 2.190 0.029) 6.588 10.035 ( -8.594 13.991 -2.215) 16.568 10.742 ( 1.257 -2.516 4.856) 5.612 11.117 ( 0.022 -1.758 2.284) 2.883 12.946 ( 1.177 -1.398 0.405) 1.871 13.289 ( -3.306 0.987 1.947) 3.962 13.446 ( -0.912 3.316 0.010) 3.439 14.384 ( -10.484 5.397 9.166) 14.934 15.142 ( 3.282 -3.486 -3.143) 5.727 15.529 ( 3.151 -1.841 -1.432) 3.921 16.005 ( -0.571 1.031 -0.941) 1.508 16.169 ( -5.148 1.757 -3.065) 6.244 16.916 ( 11.972 0.939 -2.912) 12.357 17.442 ( -3.580 0.169 -6.923) 7.796 18.547 ( 5.448 -9.943 3.586) 11.891 20.404 ( -6.662 7.966 5.940) 11.963 22.389 ( -0.753 -0.205 -2.482) 2.602 22.849 ( -2.208 6.156 2.346) 6.948 24.371 ( 1.568 0.303 -0.195) 1.609 24.444 ( -0.259 -2.618 0.215) 2.640 ======================= Grid point 31 (24/126) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 24.997 -24.997 0.000) 35.351 2.194 ( 38.389 -38.389 0.000) 54.291 2.340 ( 41.064 -41.064 0.000) 58.073 3.819 ( 12.478 -12.478 0.000) 17.646 4.090 ( 0.767 -0.767 0.000) 1.085 4.888 ( 9.060 -9.060 0.000) 12.812 5.294 ( -7.503 7.503 -0.000) 10.611 5.502 ( -0.622 0.622 -0.000) 0.880 6.605 ( -8.955 8.955 -0.000) 12.664 7.374 ( -0.620 0.620 -0.000) 0.876 7.970 ( 4.617 -4.617 0.000) 6.530 8.217 ( 1.368 -1.368 0.000) 1.934 8.484 ( 4.048 -4.048 0.000) 5.725 8.653 ( 5.887 -5.887 0.000) 8.325 8.717 ( 0.823 -0.823 0.000) 1.164 8.914 ( -8.434 8.434 -0.000) 11.928 9.031 ( -6.800 6.800 -0.000) 9.616 10.186 ( -10.340 10.340 -0.000) 14.623 10.769 ( 0.724 -0.724 0.000) 1.024 11.109 ( 1.922 -1.922 0.000) 2.718 12.893 ( 2.913 -2.913 0.000) 4.119 13.325 ( -2.078 2.078 -0.000) 2.938 13.478 ( -2.067 2.067 -0.000) 2.923 14.537 ( -6.495 6.495 -0.000) 9.186 15.071 ( 3.196 -3.196 0.000) 4.519 15.486 ( 3.055 -3.055 0.000) 4.320 16.016 ( -1.070 1.070 -0.000) 1.513 16.178 ( -3.530 3.530 -0.000) 4.992 16.872 ( 4.761 -4.761 0.000) 6.733 17.409 ( -3.518 3.518 -0.000) 4.975 18.444 ( 8.617 -8.617 0.000) 12.187 20.541 ( -5.642 5.642 -0.000) 7.979 22.371 ( -0.461 0.461 -0.000) 0.653 22.964 ( -5.579 5.579 -0.000) 7.890 24.371 ( 0.416 -0.416 0.000) 0.589 24.410 ( 1.786 -1.786 0.000) 2.526 ======================= Grid point 36 (25/126) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( 10.245 10.245 16.235) 21.760 3.883 ( 19.406 19.406 -0.181) 27.445 4.183 ( 8.941 8.941 -7.278) 14.589 4.206 ( 7.837 7.837 14.162) 17.983 5.160 ( -2.859 -2.859 -11.071) 11.786 5.452 ( -13.230 -13.230 6.706) 19.875 6.053 ( -0.993 -0.993 15.668) 15.731 6.142 ( -20.808 -20.808 -5.752) 29.984 6.863 ( 8.423 8.423 7.309) 13.976 7.171 ( 8.650 8.650 -3.011) 12.597 7.337 ( 2.304 2.304 -14.688) 15.045 7.815 ( 0.060 0.060 5.854) 5.855 8.040 ( 3.306 3.306 -11.702) 12.602 8.236 ( 1.431 1.431 2.615) 3.306 8.430 ( 1.221 1.221 3.072) 3.525 8.693 ( 0.942 0.942 4.736) 4.920 9.158 ( 10.276 10.276 -2.458) 14.739 10.043 ( -8.300 -8.300 -6.117) 13.236 10.764 ( -3.220 -3.220 7.886) 9.107 10.814 ( -2.940 -2.940 0.711) 4.218 12.857 ( -8.852 -8.852 8.447) 15.102 13.071 ( -4.116 -4.116 0.653) 5.857 13.125 ( -2.899 -2.899 0.359) 4.116 13.339 ( -8.100 -8.100 2.401) 11.704 15.626 ( 2.104 2.104 -0.379) 2.999 15.714 ( 4.500 4.500 -5.409) 8.353 16.203 ( -0.315 -0.315 0.943) 1.043 16.286 ( -2.105 -2.105 -0.825) 3.089 17.212 ( 13.958 13.958 -1.986) 19.840 17.357 ( 9.930 9.930 -0.573) 14.055 18.945 ( -7.517 -7.517 6.258) 12.336 19.483 ( -9.170 -9.170 -5.217) 13.979 22.628 ( 0.723 0.723 -0.620) 1.196 22.712 ( 0.912 0.912 -2.760) 3.046 24.407 ( 0.698 0.698 0.446) 1.083 24.413 ( 0.932 0.932 -0.362) 1.366 ======================= Grid point 37 (26/126) ======================= q-point: (-0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( 27.362 -3.138 2.641) 27.668 3.936 ( 14.346 -2.500 2.424) 14.763 4.327 ( -1.320 7.212 -2.549) 7.762 4.505 ( -2.999 19.638 0.576) 19.874 4.989 ( 12.767 0.236 -3.647) 13.279 5.332 ( -14.680 -9.092 -2.596) 17.462 5.717 ( -22.216 -19.031 -10.450) 31.064 6.210 ( -5.772 -5.877 9.124) 12.292 6.688 ( 5.347 6.386 -24.514) 25.891 7.100 ( 3.274 1.411 -17.173) 17.539 7.529 ( 7.784 4.443 15.046) 17.513 7.878 ( 8.512 -0.415 6.848) 10.933 8.052 ( -1.057 7.101 2.720) 7.677 8.328 ( 5.281 0.246 7.632) 9.284 8.550 ( -2.113 6.121 5.079) 8.230 8.744 ( -2.937 -3.277 3.498) 5.621 9.227 ( 7.273 8.668 -5.349) 12.516 9.825 ( -5.894 -5.419 -9.566) 12.475 10.777 ( -1.346 -6.495 4.418) 7.970 10.861 ( -5.262 -0.894 6.816) 8.657 12.865 ( 0.030 -12.266 11.628) 16.902 13.056 ( -3.898 -2.793 5.014) 6.938 13.144 ( -3.946 -0.584 3.989) 5.641 13.382 ( -13.751 -1.149 10.176) 17.146 15.595 ( 2.890 -0.189 -5.693) 6.387 15.661 ( 1.559 3.374 -7.047) 7.966 16.189 ( -0.039 -0.948 -1.751) 1.992 16.246 ( -2.491 -0.788 -1.934) 3.251 17.245 ( 23.954 0.180 -1.472) 24.000 17.565 ( -0.301 19.527 -5.550) 20.302 18.928 ( -2.122 -10.980 7.387) 13.402 19.376 ( -12.864 -1.812 3.130) 13.363 22.609 ( 1.355 0.297 -2.895) 3.210 22.677 ( 0.249 1.441 -3.453) 3.750 24.408 ( 1.904 -0.225 0.044) 1.917 24.436 ( -0.272 1.544 0.342) 1.604 ======================= Grid point 38 (27/126) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( 32.396 -16.797 -6.893) 37.137 3.966 ( 6.500 -3.803 0.496) 7.547 4.129 ( 10.217 -8.247 -11.113) 17.202 4.723 ( -1.734 8.882 -6.733) 11.279 4.949 ( -8.712 -0.075 -8.537) 12.198 5.204 ( -2.183 -2.369 1.570) 3.583 5.458 ( -9.625 -4.928 0.366) 10.819 6.155 ( -3.114 -11.194 -1.798) 11.758 6.352 ( 5.506 -8.950 -18.272) 21.078 6.951 ( -0.386 18.322 -14.917) 23.629 7.661 ( 8.817 -3.530 6.929) 11.756 8.089 ( 2.284 5.270 11.446) 12.806 8.191 ( -0.260 -0.447 7.656) 7.673 8.466 ( 2.285 2.971 6.919) 7.869 8.711 ( -6.286 3.267 2.916) 7.661 8.735 ( 1.004 -2.500 5.134) 5.798 9.217 ( 5.557 3.779 -7.910) 10.380 9.634 ( -5.805 1.949 -10.634) 12.271 10.767 ( -0.066 -6.285 5.721) 8.499 10.959 ( -4.653 0.030 6.581) 8.060 12.904 ( 2.462 -8.866 12.080) 15.185 13.122 ( -3.577 -1.616 6.438) 7.540 13.227 ( -1.475 0.086 7.143) 7.295 13.587 ( -16.086 2.534 14.479) 21.790 15.473 ( 3.215 -2.080 -7.119) 8.083 15.602 ( -0.238 3.462 -6.584) 7.442 16.130 ( 0.371 -1.187 -3.798) 3.996 16.200 ( -3.071 -0.090 -3.483) 4.644 17.206 ( 20.097 0.409 -4.024) 20.500 17.636 ( -0.469 10.227 -11.209) 15.181 18.878 ( 2.984 -14.589 9.524) 17.676 19.544 ( -13.646 8.699 10.861) 19.490 22.546 ( 1.498 -0.848 -4.493) 4.812 22.656 ( -0.675 3.374 -3.367) 4.814 24.405 ( 2.037 -0.282 -0.097) 2.059 24.460 ( -0.484 0.761 0.621) 1.095 ======================= Grid point 39 (28/126) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 24.888 -24.027 -9.667) 35.919 3.687 ( 31.871 -12.308 -11.929) 36.188 4.031 ( 1.992 -0.114 -2.367) 3.096 4.448 ( -6.633 -19.275 -9.566) 22.517 4.889 ( -6.077 11.329 -13.449) 18.605 5.185 ( -0.102 -7.710 -0.093) 7.711 5.503 ( 1.266 -3.526 4.517) 5.868 5.735 ( 7.192 -23.287 -12.474) 27.380 6.104 ( -0.442 -5.252 -0.401) 5.286 7.138 ( -5.157 27.561 -5.417) 28.557 7.720 ( 5.591 0.891 3.363) 6.585 8.237 ( -1.126 -6.163 8.326) 10.420 8.330 ( 0.272 5.391 7.497) 9.238 8.587 ( -1.751 0.925 4.479) 4.897 8.734 ( -0.808 -0.820 3.590) 3.770 8.822 ( -0.630 -1.069 2.504) 2.795 9.086 ( 5.251 -2.016 -8.391) 10.102 9.593 ( -8.678 12.292 -7.603) 16.859 10.781 ( 1.390 -4.947 5.751) 7.712 11.053 ( -3.457 0.421 4.977) 6.074 12.980 ( 2.860 -6.156 10.431) 12.445 13.192 ( -3.158 -0.900 4.741) 5.767 13.338 ( -0.049 0.997 5.250) 5.344 13.868 ( -15.026 5.180 14.510) 21.521 15.342 ( 3.185 -3.043 -5.108) 6.745 15.561 ( -0.559 2.889 -4.055) 5.010 16.052 ( 0.504 -0.867 -4.123) 4.244 16.139 ( -3.564 0.434 -4.483) 5.743 17.137 ( 15.052 0.800 -5.753) 16.134 17.536 ( -1.474 3.569 -12.509) 13.091 18.840 ( 6.496 -14.270 10.746) 19.008 19.868 ( -11.605 11.864 11.235) 20.041 22.461 ( 0.858 -1.165 -4.427) 4.657 22.667 ( -1.790 5.115 -2.535) 5.983 24.399 ( 2.093 -0.222 -0.188) 2.113 24.473 ( -0.629 -0.373 0.667) 0.990 ======================= Grid point 40 (29/126) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 21.398 -26.349 -8.368) 34.960 3.391 ( 49.031 -10.162 -6.410) 50.481 3.922 ( -2.025 -23.951 -2.237) 24.141 4.080 ( -0.631 -5.537 -6.170) 8.314 4.649 ( 12.458 -26.454 -10.361) 31.022 5.011 ( -8.367 2.985 -6.852) 11.219 5.280 ( 4.324 -9.168 -4.179) 10.964 5.592 ( 3.271 -5.773 1.923) 6.908 6.178 ( -0.291 6.785 7.201) 9.898 7.359 ( -5.892 8.139 -1.276) 10.128 7.821 ( -1.470 11.994 -0.370) 12.089 8.284 ( 2.049 -5.497 7.816) 9.772 8.509 ( 1.391 9.564 3.198) 10.180 8.623 ( 0.105 -1.057 0.114) 1.068 8.737 ( -5.395 -5.124 0.432) 7.453 8.807 ( 1.107 -2.542 2.980) 4.070 8.973 ( 2.937 -1.393 -4.283) 5.377 9.701 ( -11.231 15.187 -3.551) 19.219 10.802 ( 2.027 -3.271 3.996) 5.547 11.116 ( -1.851 0.171 2.521) 3.132 13.034 ( 3.848 -5.751 6.219) 9.304 13.242 ( -2.257 0.229 2.430) 3.324 13.397 ( -0.887 1.756 0.240) 1.982 14.143 ( -12.205 7.392 9.312) 17.039 15.238 ( 3.600 -3.737 -2.421) 5.726 15.555 ( 0.178 1.127 -0.870) 1.435 15.994 ( -0.120 0.214 -2.404) 2.416 16.087 ( -3.736 1.396 -3.442) 5.268 17.063 ( 10.119 -0.290 -4.127) 10.932 17.392 ( -2.246 1.055 -8.941) 9.279 18.803 ( 9.087 -12.843 7.531) 17.442 20.165 ( -9.794 10.823 6.572) 16.008 22.391 ( 0.202 -0.799 -2.720) 2.843 22.719 ( -3.671 6.384 -0.836) 7.411 24.394 ( 1.867 -0.169 -0.125) 1.879 24.469 ( -0.332 -1.397 0.391) 1.488 ======================= Grid point 41 (30/126) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 24.532 -24.532 0.000) 34.694 3.167 ( 32.879 -32.879 0.000) 46.497 3.350 ( 31.384 -31.384 0.000) 44.384 4.072 ( -2.184 2.184 -0.000) 3.088 4.211 ( 17.952 -17.952 0.000) 25.388 5.060 ( -9.375 9.375 -0.000) 13.258 5.137 ( 8.572 -8.572 0.000) 12.123 5.536 ( 3.297 -3.297 0.000) 4.663 6.371 ( -7.884 7.884 -0.000) 11.149 7.373 ( -0.313 0.313 -0.000) 0.442 7.963 ( -6.172 6.172 -0.000) 8.729 8.285 ( 3.572 -3.572 0.000) 5.052 8.590 ( 3.234 -3.234 0.000) 4.574 8.682 ( -2.176 2.176 -0.000) 3.078 8.698 ( -5.556 5.556 -0.000) 7.857 8.808 ( 0.959 -0.959 0.000) 1.356 8.905 ( 0.856 -0.856 0.000) 1.211 9.869 ( -12.999 12.999 -0.000) 18.384 10.802 ( 1.800 -1.800 0.000) 2.546 11.135 ( 0.014 -0.014 0.000) 0.020 13.001 ( 5.178 -5.178 0.000) 7.323 13.273 ( -1.580 1.580 -0.000) 2.235 13.420 ( -2.106 2.106 -0.000) 2.979 14.328 ( -8.909 8.909 -0.000) 12.599 15.167 ( 3.834 -3.834 0.000) 5.422 15.548 ( 1.233 -1.233 0.000) 1.744 15.987 ( -0.983 0.983 -0.000) 1.390 16.088 ( -3.055 3.055 -0.000) 4.320 17.002 ( 4.678 -4.678 0.000) 6.616 17.334 ( -1.951 1.951 -0.000) 2.759 18.704 ( 10.633 -10.633 0.000) 15.038 20.348 ( -8.679 8.679 -0.000) 12.274 22.364 ( 0.016 -0.016 0.000) 0.023 22.803 ( -6.062 6.062 -0.000) 8.574 24.388 ( 0.791 -0.791 0.000) 1.119 24.452 ( 1.188 -1.188 0.000) 1.679 ======================= Grid point 48 (31/126) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.788 ( 6.819 6.819 -3.521) 10.266 4.085 ( -0.381 -0.381 -9.807) 9.822 4.148 ( 0.761 0.761 -2.754) 2.957 4.529 ( 8.166 8.166 -0.841) 11.579 5.003 ( -5.813 -5.813 -11.559) 14.184 5.156 ( -6.447 -6.447 -1.502) 9.240 5.442 ( -0.392 -0.392 5.263) 5.293 6.199 ( -7.564 -7.564 1.836) 10.854 6.431 ( 8.601 8.601 -20.629) 23.949 6.841 ( -0.694 -0.694 -17.469) 17.497 7.783 ( 1.744 1.744 8.788) 9.128 8.036 ( -1.711 -1.711 7.405) 7.790 8.183 ( 5.747 5.747 9.549) 12.539 8.548 ( 4.823 4.823 9.222) 11.470 8.549 ( -1.806 -1.806 0.617) 2.628 8.773 ( -2.151 -2.151 4.971) 5.828 9.217 ( 6.190 6.190 -7.790) 11.718 9.589 ( -3.834 -3.834 -12.346) 13.484 10.833 ( -2.584 -2.584 5.992) 7.019 10.904 ( -3.253 -3.253 6.694) 8.122 13.035 ( -4.433 -4.433 11.782) 13.346 13.073 ( -3.243 -3.243 6.355) 7.838 13.235 ( -1.116 -1.116 10.859) 10.973 13.424 ( -5.891 -5.891 12.484) 15.008 15.531 ( 0.781 0.781 -6.296) 6.392 15.554 ( 1.083 1.083 -7.422) 7.579 16.143 ( -0.545 -0.545 -3.698) 3.777 16.176 ( -1.212 -1.212 -3.841) 4.206 17.447 ( 8.682 8.682 -7.387) 14.329 17.458 ( 7.201 7.201 -9.127) 13.675 19.072 ( -2.371 -2.371 13.077) 13.500 19.319 ( -6.323 -6.323 8.639) 12.433 22.574 ( 1.074 1.074 -4.032) 4.308 22.616 ( 0.468 0.468 -4.501) 4.549 24.435 ( 0.744 0.744 0.136) 1.061 24.437 ( 0.510 0.510 0.372) 0.812 ======================= Grid point 50 (32/126) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.530 ( 19.074 -19.488 -12.621) 30.048 3.946 ( -9.025 5.506 -10.239) 14.718 4.091 ( 8.489 -3.597 -3.392) 9.823 4.527 ( -14.898 -6.415 -10.921) 19.554 4.780 ( 15.156 0.556 -1.503) 15.240 5.155 ( -7.790 3.353 2.626) 8.879 5.620 ( 11.369 2.360 8.455) 14.363 6.076 ( -1.183 -10.735 -3.844) 11.464 6.207 ( 8.431 -7.755 -11.988) 16.581 6.689 ( -8.723 19.769 -12.273) 24.850 7.844 ( 4.771 -6.451 4.401) 9.151 8.131 ( -11.956 2.234 4.172) 12.859 8.377 ( 5.763 -2.036 10.410) 12.072 8.553 ( -1.477 0.830 4.809) 5.099 8.741 ( 2.236 3.600 5.297) 6.783 8.827 ( 1.095 -0.094 3.935) 4.085 9.151 ( 4.469 2.436 -9.186) 10.502 9.375 ( -6.194 2.901 -12.317) 14.089 10.873 ( 1.920 -4.841 5.837) 7.823 10.984 ( -4.879 0.968 5.118) 7.137 13.103 ( 1.442 -5.904 9.387) 11.183 13.164 ( -3.535 -0.990 6.154) 7.165 13.374 ( 2.990 -4.043 9.618) 10.853 13.608 ( -12.811 3.813 12.661) 18.411 15.424 ( 3.179 -2.640 -4.379) 6.021 15.501 ( -1.981 3.156 -3.964) 5.441 16.067 ( 0.124 -0.757 -4.717) 4.779 16.099 ( -2.069 -0.187 -4.873) 5.297 17.314 ( 11.294 -0.242 -8.892) 14.377 17.447 ( -0.760 7.354 -11.524) 13.692 19.153 ( 10.308 -13.891 12.887) 21.571 19.533 ( -14.056 10.944 11.583) 21.249 22.503 ( 2.387 -1.562 -4.370) 5.219 22.578 ( -2.170 3.671 -3.998) 5.846 24.431 ( 1.849 -0.534 0.063) 1.926 24.459 ( -0.673 0.961 0.376) 1.232 ======================= Grid point 51 (33/126) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 19.638 -23.369 -9.625) 32.006 3.882 ( -7.290 2.125 -4.476) 8.814 3.990 ( 15.330 -2.389 -3.596) 15.926 4.242 ( -3.815 -11.805 -6.962) 14.226 4.796 ( 12.586 4.714 -2.522) 13.674 5.229 ( -0.338 -5.480 5.164) 7.537 5.535 ( 14.880 -24.742 -10.348) 30.670 5.768 ( 6.793 -10.327 1.219) 12.421 6.109 ( -1.838 2.307 1.636) 3.372 6.943 ( -14.674 28.815 -3.446) 32.519 7.789 ( 3.015 -4.299 -0.234) 5.256 8.228 ( -13.647 5.530 2.160) 14.882 8.470 ( 5.152 -5.215 9.248) 11.801 8.658 ( 2.662 0.763 4.053) 4.909 8.783 ( 2.873 -2.163 -1.227) 3.799 8.868 ( 1.543 -2.200 2.708) 3.815 9.025 ( 2.297 -0.619 -5.757) 6.229 9.345 ( -11.346 13.435 -6.688) 18.814 10.885 ( 2.826 -4.058 3.546) 6.085 11.066 ( -3.411 1.753 2.753) 4.721 13.167 ( 2.845 -4.879 7.804) 9.633 13.223 ( -1.487 -0.944 3.261) 3.706 13.406 ( 2.871 -3.318 1.561) 4.657 13.865 ( -12.745 8.353 8.589) 17.492 15.338 ( 3.727 -3.613 -1.440) 5.387 15.513 ( -1.979 2.829 -0.207) 3.459 15.993 ( -0.020 -0.140 -3.655) 3.658 16.031 ( -2.427 0.635 -3.843) 4.589 17.191 ( 7.442 -0.950 -5.588) 9.355 17.348 ( -1.202 2.387 -8.456) 8.868 19.129 ( 11.972 -14.003 8.427) 20.259 19.853 ( -12.436 12.817 7.319) 19.300 22.420 ( 1.690 -1.788 -2.880) 3.789 22.590 ( -3.686 5.123 -2.237) 6.696 24.424 ( 1.760 -0.582 -0.031) 1.854 24.471 ( -0.599 0.039 0.286) 0.665 ======================= Grid point 52 (34/126) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 22.880 -22.880 0.000) 32.358 3.852 ( 8.645 -8.645 0.000) 12.226 3.906 ( 10.789 -10.789 0.000) 15.257 4.018 ( 4.868 -4.868 0.000) 6.884 4.849 ( -3.857 3.857 -0.000) 5.455 4.895 ( 31.535 -31.535 0.000) 44.598 5.298 ( 2.411 -2.411 0.000) 3.409 5.676 ( 6.755 -6.755 0.000) 9.554 6.198 ( -4.945 4.945 -0.000) 6.994 7.224 ( -14.394 14.394 -0.000) 20.356 7.773 ( -2.807 2.807 -0.000) 3.970 8.338 ( -5.815 5.815 -0.000) 8.224 8.496 ( 0.737 -0.737 0.000) 1.042 8.690 ( 1.712 -1.712 0.000) 2.421 8.699 ( 3.218 -3.218 0.000) 4.551 8.860 ( 2.398 -2.398 0.000) 3.392 8.969 ( 1.967 -1.967 0.000) 2.782 9.493 ( -14.518 14.518 -0.000) 20.531 10.867 ( 2.931 -2.931 0.000) 4.144 11.111 ( -1.777 1.777 -0.000) 2.514 13.163 ( 6.136 -6.136 0.000) 8.678 13.244 ( -0.571 0.571 -0.000) 0.808 13.381 ( -0.065 0.065 -0.000) 0.091 14.063 ( -10.529 10.529 -0.000) 14.890 15.275 ( 4.081 -4.081 0.000) 5.771 15.545 ( -1.395 1.395 -0.000) 1.973 15.966 ( -0.533 0.533 -0.000) 0.754 16.017 ( -2.121 2.121 -0.000) 3.000 17.119 ( 3.905 -3.905 0.000) 5.523 17.297 ( -1.048 1.048 -0.000) 1.482 19.017 ( 12.509 -12.509 0.000) 17.690 20.075 ( -11.429 11.429 -0.000) 16.164 22.377 ( 1.088 -1.088 0.000) 1.539 22.646 ( -5.416 5.416 -0.000) 7.660 24.413 ( 1.074 -1.074 0.000) 1.518 24.471 ( 0.239 -0.239 0.000) 0.338 ======================= Grid point 61 (35/126) ======================= q-point: (-0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.552 ( -0.293 -0.293 -8.919) 8.928 3.586 ( -2.730 -2.730 -11.024) 11.681 4.129 ( 0.278 0.278 -0.367) 0.537 4.228 ( -6.993 -6.993 -6.703) 11.947 5.030 ( 6.532 6.532 5.039) 10.523 5.110 ( 0.461 0.461 0.865) 1.083 5.869 ( 5.764 5.764 5.965) 10.100 6.001 ( -3.510 -3.510 -1.681) 5.241 6.247 ( 4.914 4.914 -5.396) 8.798 6.345 ( -2.056 -2.056 -10.082) 10.493 7.935 ( -1.587 -1.587 2.606) 3.439 7.993 ( -5.553 -5.553 -0.817) 7.896 8.610 ( 1.574 1.574 9.772) 10.023 8.628 ( 0.156 0.156 7.354) 7.358 8.851 ( 2.140 2.140 3.364) 4.525 8.881 ( 0.032 0.032 2.258) 2.259 9.065 ( 2.500 2.500 -8.680) 9.372 9.117 ( -1.491 -1.491 -11.780) 11.967 10.974 ( -0.161 -0.161 3.597) 3.604 10.989 ( -1.266 -1.266 2.634) 3.184 13.214 ( -0.736 -0.736 4.599) 4.715 13.218 ( -1.074 -1.074 4.570) 4.815 13.568 ( -0.115 -0.115 7.558) 7.560 13.608 ( -2.967 -2.967 5.378) 6.821 15.430 ( 0.437 0.437 -0.404) 0.738 15.437 ( 0.000 0.000 -0.680) 0.680 15.998 ( -0.192 -0.192 -3.823) 3.833 16.006 ( -0.759 -0.759 -4.194) 4.329 17.284 ( 2.020 2.020 -6.987) 7.549 17.290 ( 1.626 1.626 -7.271) 7.626 19.475 ( 1.004 1.004 9.211) 9.320 19.512 ( -1.583 -1.583 6.960) 7.311 22.482 ( 0.566 0.566 -2.558) 2.681 22.491 ( -0.037 -0.037 -3.033) 3.034 24.453 ( 0.233 0.233 0.126) 0.352 24.454 ( 0.185 0.185 0.108) 0.282 ======================= Grid point 63 (36/126) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 19.394 -19.394 0.000) 27.427 3.676 ( -12.792 12.792 -0.000) 18.090 4.081 ( 3.975 -3.975 0.000) 5.622 4.160 ( -1.103 1.103 -0.000) 1.560 4.976 ( 10.910 -10.910 0.000) 15.429 5.234 ( -6.455 6.455 -0.000) 9.128 5.778 ( 30.521 -30.521 0.000) 43.163 5.876 ( 7.422 -7.422 0.000) 10.496 6.081 ( -3.343 3.343 -0.000) 4.728 6.625 ( -27.370 27.370 -0.000) 38.707 7.843 ( 6.236 -6.236 0.000) 8.819 8.069 ( -10.170 10.170 -0.000) 14.382 8.655 ( 6.023 -6.023 0.000) 8.518 8.721 ( 0.047 -0.047 0.000) 0.066 8.802 ( 5.797 -5.797 0.000) 8.198 8.921 ( 1.461 -1.461 0.000) 2.065 8.989 ( -0.259 0.259 -0.000) 0.366 9.112 ( -12.654 12.654 -0.000) 17.895 10.955 ( 3.443 -3.443 0.000) 4.869 11.044 ( -3.017 3.017 -0.000) 4.266 13.241 ( 0.300 -0.300 0.000) 0.424 13.250 ( 0.209 -0.209 0.000) 0.296 13.497 ( 8.621 -8.621 0.000) 12.192 13.771 ( -10.866 10.866 -0.000) 15.367 15.384 ( 3.920 -3.920 0.000) 5.544 15.481 ( -3.150 3.150 -0.000) 4.455 15.960 ( 0.105 -0.105 0.000) 0.148 15.974 ( -1.037 1.037 -0.000) 1.466 17.209 ( 2.709 -2.709 0.000) 3.831 17.265 ( -1.506 1.506 -0.000) 2.130 19.373 ( 13.600 -13.600 0.000) 19.233 19.739 ( -13.243 13.243 -0.000) 18.728 22.426 ( 2.558 -2.558 0.000) 3.617 22.516 ( -4.115 4.115 -0.000) 5.820 24.443 ( 1.045 -1.045 0.000) 1.477 24.466 ( -0.589 0.589 -0.000) 0.833 ======================= Grid point 137 (37/126) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 19.847 19.847 18.885) 33.830 2.396 ( 33.262 33.262 12.946) 48.788 3.202 ( 22.931 22.931 44.733) 55.252 4.011 ( 4.380 4.380 -4.873) 7.881 4.111 ( 13.072 13.072 18.118) 25.885 4.894 ( 14.452 14.452 -1.133) 20.470 5.479 ( -5.221 -5.221 6.133) 9.598 5.680 ( -6.206 -6.206 15.554) 17.860 6.089 ( 1.081 1.081 -17.022) 17.091 7.440 ( 0.286 0.286 2.911) 2.939 7.867 ( 5.753 5.753 -10.693) 13.437 7.967 ( 3.414 3.414 -0.261) 4.835 8.477 ( 5.071 5.071 3.248) 7.872 8.611 ( 1.158 1.158 -6.180) 6.393 8.809 ( -7.195 -7.195 -6.324) 11.981 8.817 ( -2.720 -2.720 -3.465) 5.177 8.966 ( -1.190 -1.190 -5.513) 5.764 10.237 ( -9.622 -9.622 3.044) 13.944 10.628 ( 1.850 1.850 -4.140) 4.897 11.047 ( 1.555 1.555 -3.808) 4.397 13.008 ( -7.222 -7.222 1.450) 10.316 13.269 ( -2.366 -2.366 -3.141) 4.589 13.486 ( -4.422 -4.422 -1.898) 6.535 14.274 ( -7.154 -7.154 -15.055) 18.139 15.175 ( 2.872 2.872 6.489) 7.655 15.493 ( 7.848 7.848 0.611) 11.116 16.062 ( -3.213 -3.213 3.585) 5.788 16.258 ( -3.264 -3.264 3.987) 6.100 16.951 ( 5.768 5.768 4.251) 9.198 17.408 ( 7.030 7.030 -7.308) 12.339 18.546 ( -4.627 -4.627 10.675) 12.521 20.372 ( -6.108 -6.108 -10.170) 13.343 22.441 ( -0.274 -0.274 4.039) 4.057 22.818 ( 1.488 1.488 -5.243) 5.649 24.373 ( 0.480 0.480 0.098) 0.685 24.421 ( 0.581 0.581 0.157) 0.836 ======================= Grid point 138 (38/126) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 20.568 16.510 19.120) 32.576 3.005 ( 28.986 25.139 16.598) 41.805 3.893 ( 14.589 0.142 2.496) 14.802 4.127 ( -1.487 21.139 18.125) 27.885 4.749 ( 6.670 23.266 24.686) 34.572 5.150 ( 10.442 19.764 5.987) 23.141 5.439 ( 0.279 -7.561 0.497) 7.583 5.836 ( -7.142 -12.070 18.012) 22.828 5.979 ( -5.703 3.747 2.040) 7.122 7.471 ( 2.111 -1.954 0.355) 2.898 7.784 ( 0.631 3.987 -9.539) 10.358 7.948 ( 0.626 -0.054 -3.745) 3.798 8.453 ( 4.903 -5.248 -7.833) 10.627 8.496 ( 2.434 -10.458 -6.862) 12.743 8.647 ( -1.428 6.382 -4.200) 7.773 8.752 ( -9.117 1.924 -6.602) 11.419 8.963 ( 8.158 7.578 1.083) 11.187 10.142 ( -7.916 -12.189 4.087) 15.097 10.607 ( -0.575 1.451 -1.682) 2.295 10.993 ( -0.126 0.735 -5.300) 5.353 12.882 ( -3.362 -8.619 -2.945) 9.709 13.192 ( -4.199 -1.772 -3.593) 5.803 13.349 ( -1.300 -5.434 -5.969) 8.176 13.945 ( -12.956 -4.510 -16.594) 21.530 15.326 ( 3.388 2.597 8.139) 9.190 15.626 ( 6.537 5.754 3.657) 9.445 16.081 ( -1.222 -1.731 3.630) 4.203 16.284 ( -4.528 -1.706 3.214) 5.809 17.017 ( 18.590 -3.169 1.723) 18.937 17.472 ( -0.589 18.197 -5.878) 19.132 18.634 ( -5.185 -6.090 10.178) 12.945 20.095 ( -7.812 -8.385 -12.673) 17.086 22.509 ( -0.167 0.306 4.482) 4.496 22.775 ( 1.334 -0.280 -1.760) 2.227 24.379 ( 1.165 0.027 0.242) 1.190 24.432 ( -0.040 1.472 -0.533) 1.566 ======================= Grid point 139 (39/126) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 23.179 12.024 16.690) 30.990 3.577 ( 20.401 21.580 15.868) 33.671 3.831 ( 16.508 -1.395 -5.084) 17.329 4.635 ( -7.551 20.195 9.597) 23.599 5.117 ( 3.415 -10.295 -4.800) 11.861 5.263 ( -3.562 8.687 10.762) 14.282 5.793 ( -3.304 11.057 14.044) 18.177 5.969 ( -5.921 -3.508 19.684) 20.852 6.166 ( 0.354 9.769 13.523) 16.686 7.411 ( 5.172 -2.309 -3.366) 6.589 7.649 ( 0.219 -7.966 -1.998) 8.216 7.893 ( -1.761 5.772 -10.753) 12.331 8.169 ( 6.572 -13.889 -6.215) 16.574 8.308 ( 5.650 -0.615 -9.828) 11.353 8.620 ( -5.392 2.577 -7.617) 9.682 8.721 ( -4.340 5.294 -3.113) 7.520 9.146 ( 9.242 9.440 4.690) 14.019 10.040 ( -6.916 -11.463 3.772) 13.909 10.614 ( -1.987 0.826 0.519) 2.214 10.911 ( -1.625 -0.238 -5.468) 5.709 12.708 ( -0.238 -7.892 -4.404) 9.041 13.088 ( -1.708 -3.970 -4.939) 6.563 13.220 ( -3.531 -1.379 -3.411) 5.099 13.669 ( -16.863 -2.181 -12.888) 21.336 15.484 ( 3.732 2.353 7.751) 8.919 15.730 ( 4.690 1.332 3.094) 5.774 16.131 ( 0.202 0.949 3.224) 3.367 16.299 ( -4.301 -1.305 1.298) 4.679 16.963 ( 22.808 -3.053 -1.633) 23.069 17.683 ( -1.513 18.463 -0.768) 18.541 18.689 ( -5.081 -5.967 7.536) 10.873 19.783 ( -9.843 -8.832 -11.666) 17.635 22.578 ( 0.373 0.523 3.523) 3.581 22.750 ( 1.097 -1.073 -0.457) 1.601 24.382 ( 1.404 -0.068 0.231) 1.424 24.443 ( -0.129 1.311 -0.604) 1.449 ======================= Grid point 140 (40/126) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 28.220 5.014 8.233) 29.821 3.728 ( 12.898 -0.974 -4.191) 13.597 4.029 ( 13.039 12.605 8.987) 20.240 4.814 ( 11.914 -9.513 -2.288) 15.416 5.019 ( -9.591 13.741 -0.611) 16.768 5.480 ( -17.974 -0.547 6.229) 19.031 5.891 ( -12.977 -5.913 8.281) 16.491 6.057 ( -6.458 0.764 -3.756) 7.510 6.768 ( 11.184 15.836 26.549) 32.874 7.249 ( 7.296 -4.373 -15.303) 17.508 7.615 ( -0.810 -4.775 9.293) 10.480 7.743 ( 1.036 -0.083 -10.637) 10.687 7.949 ( 8.149 -5.211 -4.761) 10.781 8.196 ( 5.344 1.072 -4.797) 7.261 8.550 ( -5.033 0.928 -3.514) 6.208 8.751 ( -2.990 1.983 -0.346) 3.604 9.300 ( 7.340 4.544 1.763) 8.811 9.963 ( -6.010 -5.296 1.627) 8.174 10.638 ( -2.096 0.360 1.067) 2.379 10.837 ( -3.143 -0.356 -2.793) 4.219 12.568 ( 1.633 -3.576 -2.392) 4.602 12.986 ( -0.465 -1.670 -2.234) 2.828 13.187 ( -5.422 -0.026 -0.552) 5.450 13.508 ( -18.348 -0.697 -5.110) 19.059 15.608 ( 3.300 1.438 4.072) 5.435 15.756 ( 4.518 -0.614 0.306) 4.570 16.184 ( 0.281 0.824 1.408) 1.655 16.293 ( -3.305 -0.625 0.038) 3.364 16.914 ( 23.122 -0.882 -0.880) 23.155 17.885 ( 0.260 8.841 0.695) 8.872 18.703 ( -5.089 -3.237 2.804) 6.651 19.550 ( -11.739 -4.284 -5.184) 13.529 22.623 ( 0.954 0.323 1.408) 1.731 22.733 ( 0.821 -0.615 -0.151) 1.037 24.384 ( 1.475 -0.026 0.087) 1.477 24.449 ( -0.110 0.502 -0.246) 0.570 ======================= Grid point 146 (41/126) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 23.419 0.000 0.000) 23.419 0.952 ( 35.827 0.000 0.000) 35.827 2.194 ( 78.190 0.000 0.000) 78.190 3.541 ( 8.838 0.000 0.000) 8.838 4.266 ( 16.471 0.000 0.000) 16.471 4.704 ( 6.638 0.000 0.000) 6.638 5.401 ( -7.384 -0.000 -0.000) 7.384 5.623 ( 3.821 0.000 0.000) 3.821 6.451 ( -23.479 -0.000 -0.000) 23.479 7.657 ( 2.157 0.000 0.000) 2.157 7.743 ( 4.956 0.000 0.000) 4.956 8.333 ( 6.183 0.000 0.000) 6.183 8.342 ( 2.861 0.000 0.000) 2.861 8.540 ( 7.446 0.000 0.000) 7.446 8.701 ( 1.477 0.000 0.000) 1.477 8.984 ( -17.080 -0.000 -0.000) 17.080 9.181 ( -2.076 -0.000 -0.000) 2.076 10.325 ( -12.641 -0.000 -0.000) 12.641 10.758 ( 0.433 0.000 0.000) 0.433 11.077 ( 4.470 0.000 0.000) 4.470 12.856 ( 2.647 0.000 0.000) 2.647 13.399 ( 0.115 0.000 0.000) 0.115 13.473 ( -4.381 -0.000 -0.000) 4.381 14.694 ( -2.175 -0.000 -0.000) 2.175 15.011 ( 2.823 0.000 0.000) 2.823 15.412 ( 2.715 0.000 0.000) 2.715 16.031 ( -1.246 -0.000 -0.000) 1.246 16.312 ( -0.182 -0.000 -0.000) 0.182 16.640 ( -3.836 -0.000 -0.000) 3.836 17.511 ( -3.570 -0.000 -0.000) 3.570 18.325 ( 10.935 0.000 0.000) 10.935 20.627 ( -4.787 -0.000 -0.000) 4.787 22.392 ( 0.182 0.000 0.000) 0.182 23.017 ( -8.098 -0.000 -0.000) 8.098 24.347 ( -0.365 -0.000 -0.000) 0.365 24.412 ( 3.588 0.000 0.000) 3.588 ======================= Grid point 149 (42/126) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 17.323 17.323 18.188) 30.511 3.592 ( 23.438 23.438 14.191) 36.057 4.082 ( 8.366 8.366 -2.100) 12.016 4.305 ( 6.507 6.507 6.682) 11.373 5.091 ( 0.981 0.981 10.073) 10.169 5.388 ( -3.245 -3.245 -4.012) 6.095 5.585 ( 12.274 12.274 19.830) 26.354 5.982 ( -15.762 -15.762 15.996) 27.436 6.085 ( 9.284 9.284 18.591) 22.760 7.510 ( -0.380 -0.380 1.097) 1.222 7.628 ( 3.617 3.617 -12.432) 13.443 7.870 ( -0.427 -0.427 -5.765) 5.797 8.323 ( -2.928 -2.928 -9.428) 10.297 8.433 ( -2.696 -2.696 -4.169) 5.649 8.510 ( 0.143 0.143 -13.057) 13.059 8.615 ( 2.694 2.694 -0.375) 3.828 9.146 ( 10.485 10.485 3.774) 15.301 10.074 ( -10.198 -10.198 3.065) 14.745 10.594 ( -1.141 -1.141 1.574) 2.254 10.901 ( -1.234 -1.234 -5.429) 5.702 12.776 ( -5.837 -5.837 -2.308) 8.571 13.096 ( -3.230 -3.230 -2.491) 5.203 13.220 ( -3.470 -3.470 -5.912) 7.684 13.545 ( -9.248 -9.248 -14.352) 19.417 15.494 ( 2.762 2.762 7.872) 8.787 15.754 ( 3.752 3.752 2.989) 6.091 16.126 ( 0.121 0.121 3.389) 3.394 16.278 ( -2.316 -2.316 1.673) 3.678 17.290 ( 8.427 8.427 4.605) 12.776 17.394 ( 12.859 12.859 -9.127) 20.348 18.702 ( -7.226 -7.226 9.404) 13.888 19.773 ( -10.300 -10.300 -12.614) 19.269 22.577 ( 0.576 0.576 3.697) 3.786 22.766 ( 0.167 0.167 -0.982) 1.010 24.396 ( 0.784 0.784 0.244) 1.135 24.428 ( 0.732 0.732 -0.559) 1.176 ======================= Grid point 150 (43/126) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 20.209 13.153 14.572) 28.173 4.010 ( 23.239 -0.431 -3.270) 23.472 4.080 ( 16.828 8.291 12.106) 22.327 4.566 ( -10.742 24.112 -1.498) 26.439 5.121 ( 3.192 -11.395 -0.048) 11.834 5.295 ( -8.055 -0.899 1.874) 8.319 5.854 ( -12.924 -13.864 6.432) 20.016 5.931 ( -10.074 -0.005 4.400) 10.993 6.701 ( 13.772 17.331 28.499) 36.086 7.411 ( 10.183 -1.548 -12.118) 15.904 7.570 ( -3.706 5.834 -5.331) 8.729 7.778 ( 3.571 -1.442 -4.213) 5.708 8.165 ( 2.251 -5.332 -3.484) 6.755 8.253 ( 6.676 -3.322 -6.892) 10.154 8.438 ( -6.733 3.982 -3.070) 8.403 8.669 ( -2.515 2.318 1.171) 3.615 9.318 ( 9.804 9.322 0.516) 13.538 9.969 ( -7.955 -8.678 0.398) 11.779 10.620 ( -2.451 -2.060 4.282) 5.347 10.805 ( -3.522 -1.941 -3.589) 5.390 12.666 ( -0.987 -7.563 0.277) 7.632 13.012 ( -2.302 -4.275 -1.791) 5.175 13.120 ( -4.790 -1.107 -1.937) 5.284 13.297 ( -14.148 -3.414 -6.346) 15.877 15.625 ( 2.854 2.177 4.326) 5.621 15.803 ( 2.472 0.773 -0.517) 2.641 16.179 ( 0.511 0.690 2.108) 2.276 16.268 ( -2.321 -1.290 0.261) 2.668 17.278 ( 26.850 -1.778 -1.267) 26.939 17.648 ( -1.247 23.221 -1.099) 23.281 18.722 ( -6.304 -8.562 7.000) 12.730 19.465 ( -13.332 -9.304 -8.669) 18.425 22.629 ( 1.045 0.809 1.737) 2.183 22.748 ( 0.373 -0.299 -1.144) 1.240 24.405 ( 1.513 0.082 0.174) 1.525 24.435 ( 0.048 1.183 -0.312) 1.224 ======================= Grid point 151 (44/126) ======================= q-point: (-0.64 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 29.199 -0.898 1.662) 29.261 3.888 ( 14.472 -1.587 -0.016) 14.559 4.298 ( 12.252 -1.617 1.925) 12.508 4.850 ( -11.764 17.224 -1.576) 20.917 4.984 ( 14.259 -2.439 -0.128) 14.467 5.266 ( -15.343 -5.892 -2.017) 16.559 5.631 ( -23.113 -9.654 -4.566) 25.461 6.036 ( -3.696 -1.796 5.074) 6.529 7.062 ( 9.324 -3.993 -20.392) 22.775 7.293 ( 13.039 8.681 13.526) 20.696 7.504 ( -1.523 5.327 -11.977) 13.197 7.782 ( 3.918 0.296 6.730) 7.793 8.063 ( 8.070 -2.483 0.151) 8.444 8.242 ( 2.167 1.452 4.492) 5.194 8.488 ( -4.448 0.319 5.310) 6.935 8.694 ( -6.210 -0.175 0.393) 6.225 9.399 ( 8.301 5.053 -2.984) 10.166 9.865 ( -6.032 -2.785 -3.320) 7.427 10.639 ( -1.871 -3.904 2.566) 5.032 10.777 ( -5.271 -0.092 2.871) 6.003 12.611 ( 2.277 -4.994 4.609) 7.167 12.969 ( -2.287 -1.359 1.950) 3.298 13.109 ( -5.815 0.026 0.715) 5.858 13.260 ( -15.816 -0.066 4.353) 16.404 15.660 ( 2.964 -0.023 -2.488) 3.870 15.781 ( 1.754 1.474 -3.325) 4.038 16.196 ( 0.265 -0.334 -0.355) 0.554 16.255 ( -2.268 -0.351 -0.415) 2.333 17.255 ( 26.938 -0.159 -0.210) 26.939 17.871 ( 0.415 12.086 -3.418) 12.567 18.682 ( -4.199 -9.208 3.895) 10.843 19.326 ( -16.232 -0.441 1.300) 16.290 22.643 ( 1.491 0.078 -1.083) 1.844 22.730 ( 0.148 0.688 -1.275) 1.456 24.406 ( 1.703 -0.067 0.007) 1.705 24.447 ( -0.132 0.554 0.138) 0.586 ======================= Grid point 152 (45/126) ======================= q-point: (-0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 28.390 -17.018 -10.255) 34.652 3.971 ( 13.743 3.782 -0.235) 14.256 4.112 ( 17.228 -12.339 -6.470) 22.157 4.765 ( -8.415 -15.749 -9.300) 20.133 5.063 ( -1.490 4.413 3.681) 5.936 5.234 ( -1.026 5.730 -0.619) 5.854 5.525 ( -16.314 8.711 -9.773) 20.917 6.002 ( -5.535 -10.661 0.275) 12.015 6.513 ( 12.418 -17.737 -26.750) 34.415 7.402 ( -1.578 10.491 -10.575) 14.980 7.565 ( 10.138 6.430 6.739) 13.767 7.937 ( -0.726 -2.610 11.004) 11.332 8.121 ( 5.204 5.294 4.587) 8.726 8.366 ( 2.344 0.242 8.967) 9.271 8.581 ( -3.553 -2.446 7.927) 9.025 8.701 ( -5.287 -0.533 1.917) 5.649 9.348 ( 8.067 -2.363 -6.394) 10.561 9.815 ( -7.080 6.359 -5.728) 11.107 10.621 ( -1.176 -3.756 2.862) 4.866 10.864 ( -3.979 1.022 6.374) 7.583 12.675 ( 2.238 -0.615 7.807) 8.144 13.027 ( -2.618 1.113 4.945) 5.705 13.151 ( -3.788 1.143 4.352) 5.882 13.409 ( -16.042 2.453 12.445) 20.451 15.560 ( 3.196 -2.087 -7.427) 8.351 15.745 ( 0.545 2.700 -5.448) 6.105 16.161 ( 0.763 -1.408 -2.512) 2.979 16.241 ( -2.586 0.496 -1.675) 3.121 17.257 ( 24.262 1.352 -1.101) 24.325 17.842 ( -0.002 -4.492 -5.504) 7.105 18.620 ( -2.754 -5.487 1.444) 6.307 19.493 ( -14.672 8.993 10.927) 20.385 22.599 ( 1.298 -0.862 -3.633) 3.953 22.732 ( -0.232 2.218 -1.191) 2.529 24.404 ( 1.738 -0.108 -0.131) 1.746 24.453 ( -0.192 -0.401 0.508) 0.675 ======================= Grid point 153 (46/126) ======================= q-point: (-0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 24.782 -22.146 -12.982) 35.681 3.690 ( 27.418 -16.897 -11.394) 34.162 4.071 ( 12.588 1.630 -2.650) 12.967 4.339 ( -7.083 -19.511 -12.159) 24.056 5.041 ( 2.233 -7.306 -7.709) 10.853 5.331 ( 2.341 7.489 -2.051) 8.110 5.496 ( -3.781 5.544 -11.547) 13.355 5.651 ( 2.182 -18.679 -14.381) 23.674 6.028 ( 2.003 -8.581 -4.791) 10.029 7.429 ( -2.676 7.084 -3.002) 8.146 7.779 ( 7.182 11.088 5.357) 14.256 7.979 ( -3.727 -9.509 7.826) 12.867 8.333 ( 0.457 10.725 7.140) 12.892 8.498 ( -0.134 0.320 7.399) 7.407 8.659 ( -0.920 -0.749 4.889) 5.031 8.727 ( -2.869 -4.868 4.900) 7.479 9.166 ( 7.562 -5.931 -8.026) 12.521 9.857 ( -9.443 11.781 -5.528) 16.079 10.635 ( 0.586 -3.015 4.820) 5.716 10.976 ( -2.175 0.932 6.061) 6.507 12.800 ( 0.611 0.926 7.466) 7.548 13.120 ( -3.325 1.303 4.634) 5.850 13.273 ( -1.575 3.102 6.749) 7.593 13.693 ( -13.489 5.775 16.864) 22.354 15.406 ( 3.062 -2.737 -7.925) 8.926 15.683 ( 0.105 1.787 -6.489) 6.732 16.092 ( 1.192 -1.624 -3.313) 3.877 16.214 ( -2.870 1.301 -3.491) 4.703 17.233 ( 16.935 0.815 -4.966) 17.667 17.663 ( 0.280 -9.185 -3.394) 9.796 18.578 ( 0.147 -4.054 1.525) 4.333 19.830 ( -11.685 11.105 13.404) 20.965 22.520 ( 0.727 -0.875 -4.764) 4.898 22.751 ( -1.098 2.911 -0.788) 3.209 24.399 ( 1.583 -0.228 -0.199) 1.612 24.451 ( -0.044 -1.129 0.634) 1.295 ======================= Grid point 154 (47/126) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 23.709 -23.709 -13.317) 36.078 3.260 ( 29.630 -29.630 -6.744) 42.442 3.752 ( 16.112 -16.112 -22.134) 31.766 4.112 ( 2.896 -2.896 -0.857) 4.184 4.553 ( 19.504 -19.504 -21.377) 34.896 5.219 ( 9.916 -9.916 -4.559) 14.746 5.311 ( -9.064 9.064 -13.294) 18.468 5.543 ( -1.350 1.350 -2.748) 3.345 6.064 ( -1.404 1.404 12.757) 12.911 7.440 ( -1.207 1.207 -3.254) 3.675 7.956 ( -4.796 4.796 0.782) 6.827 8.025 ( 5.622 -5.622 13.678) 15.821 8.565 ( -2.972 2.972 4.236) 5.968 8.603 ( -1.877 1.877 4.950) 5.617 8.696 ( -1.151 1.151 -1.270) 2.064 8.712 ( 1.213 -1.213 4.820) 5.116 9.009 ( 3.367 -3.367 -3.300) 5.793 9.945 ( -11.763 11.763 -4.230) 17.165 10.681 ( 2.265 -2.265 5.742) 6.575 11.065 ( -0.291 0.291 4.364) 4.384 12.909 ( -0.442 0.442 4.889) 4.929 13.207 ( -2.082 2.082 3.807) 4.813 13.398 ( -2.506 2.506 3.646) 5.084 14.053 ( -9.062 9.062 15.771) 20.321 15.257 ( 3.143 -3.143 -6.015) 7.479 15.603 ( 0.830 -0.830 -4.563) 4.711 16.030 ( 0.357 -0.357 -2.598) 2.646 16.177 ( -2.643 2.643 -4.355) 5.739 17.110 ( 5.912 -5.912 -6.033) 10.311 17.525 ( 1.993 -1.993 -5.058) 5.790 18.558 ( 5.011 -5.011 3.730) 8.009 20.163 ( -9.386 9.386 11.020) 17.252 22.440 ( 0.262 -0.262 -4.351) 4.367 22.789 ( -2.895 2.895 0.686) 4.152 24.390 ( 0.801 -0.801 -0.154) 1.143 24.444 ( 0.913 -0.913 0.433) 1.361 ======================= Grid point 156 (48/126) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 18.309 -49.418 -0.000) 52.700 1.531 ( 31.065 -22.588 0.000) 38.408 3.213 ( 70.408 -0.304 0.000) 70.409 3.752 ( 10.498 -9.243 0.000) 13.988 4.406 ( 19.343 13.467 0.000) 23.569 4.886 ( 9.006 -9.333 0.000) 12.970 5.260 ( -8.838 4.017 -0.000) 9.708 5.599 ( 4.262 8.256 0.000) 9.291 6.277 ( -20.886 -13.998 -0.000) 25.143 7.556 ( 4.137 12.197 0.000) 12.879 7.869 ( -3.506 -9.300 -0.000) 9.939 8.303 ( 5.514 5.690 0.000) 7.923 8.512 ( 4.935 -4.185 0.000) 6.470 8.571 ( -11.740 -3.696 -0.000) 12.308 8.732 ( 2.401 -0.991 0.000) 2.598 8.800 ( -2.666 -0.843 -0.000) 2.796 9.100 ( -3.192 6.622 0.000) 7.351 10.104 ( -15.416 4.152 -0.000) 15.966 10.774 ( 1.473 -0.493 0.000) 1.553 11.135 ( 3.466 -0.004 0.000) 3.466 12.916 ( 4.957 -1.442 0.000) 5.162 13.352 ( -1.037 4.009 0.000) 4.141 13.441 ( -3.229 -1.334 -0.000) 3.494 14.590 ( -3.384 8.794 0.000) 9.422 15.076 ( 3.601 -2.690 0.000) 4.495 15.475 ( 2.324 -3.174 0.000) 3.934 16.009 ( -1.465 0.505 -0.000) 1.550 16.232 ( -0.729 7.694 0.000) 7.729 16.712 ( -3.536 -14.003 -0.000) 14.443 17.433 ( -3.039 3.558 -0.000) 4.679 18.513 ( 12.839 -3.367 0.000) 13.273 20.519 ( -7.437 3.671 -0.000) 8.294 22.385 ( 0.311 1.210 0.000) 1.249 22.895 ( -9.264 0.604 -0.000) 9.284 24.349 ( -0.473 -1.122 -0.000) 1.217 24.455 ( 3.391 0.752 0.000) 3.473 ======================= Grid point 157 (49/126) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 19.509 0.000 16.174) 25.342 1.688 ( 31.261 0.000 28.289) 42.161 3.310 ( 67.092 0.000 13.306) 68.399 3.701 ( 10.183 0.000 1.302) 10.266 4.525 ( 22.643 0.000 0.679) 22.653 4.817 ( 9.600 0.000 2.102) 9.828 5.347 ( -9.534 -0.000 7.570) 12.173 5.746 ( 5.587 0.000 7.482) 9.337 6.018 ( -15.804 -0.000 -14.532) 21.470 7.684 ( 1.813 0.000 -1.563) 2.394 7.721 ( -3.309 -0.000 -4.122) 5.286 8.205 ( 16.530 0.000 -15.220) 22.470 8.415 ( 4.461 0.000 3.380) 5.597 8.616 ( -22.086 -0.000 -0.915) 22.105 8.699 ( 2.302 0.000 -3.094) 3.856 8.873 ( -0.010 0.000 6.392) 6.392 9.113 ( -3.079 -0.000 -4.031) 5.072 10.147 ( -15.269 -0.000 1.970) 15.396 10.726 ( 3.149 0.000 -4.769) 5.716 11.116 ( 3.817 0.000 -2.376) 4.496 12.937 ( -1.464 -0.000 2.580) 2.966 13.387 ( 0.188 -0.000 -1.725) 1.735 13.420 ( -5.475 -0.000 0.512) 5.499 14.597 ( -2.971 -0.000 -7.799) 8.346 15.078 ( 3.514 0.000 2.936) 4.579 15.450 ( 3.889 0.000 0.221) 3.895 16.015 ( -1.891 -0.000 0.831) 2.066 16.332 ( -0.231 0.000 2.857) 2.866 16.604 ( -4.166 -0.000 1.722) 4.508 17.513 ( -0.773 0.000 5.265) 5.321 18.487 ( 8.987 0.000 0.781) 9.020 20.502 ( -7.330 -0.000 -5.480) 9.152 22.412 ( 0.255 0.000 2.207) 2.222 22.854 ( -5.833 -0.000 -4.725) 7.507 24.346 ( -0.586 -0.000 0.510) 0.777 24.457 ( 2.942 0.000 -0.474) 2.980 ======================= Grid point 161 (50/126) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( 15.469 15.469 10.195) 24.136 4.236 ( 6.665 6.665 -2.242) 9.689 4.358 ( 3.683 3.683 -8.371) 9.858 4.442 ( 8.747 8.747 8.286) 14.889 5.123 ( -10.846 -10.846 3.868) 15.819 5.210 ( 4.059 4.059 -5.393) 7.876 5.552 ( -19.340 -19.340 -6.118) 28.027 6.008 ( -2.820 -2.820 8.045) 8.980 7.115 ( 10.498 10.498 -9.548) 17.652 7.400 ( 2.024 2.024 -15.190) 15.457 7.415 ( 8.211 8.211 8.106) 14.162 7.823 ( 0.057 0.057 4.832) 4.833 8.117 ( 2.622 2.622 -4.413) 5.764 8.288 ( 2.449 2.449 3.470) 4.903 8.423 ( -1.668 -1.668 7.628) 7.985 8.645 ( -4.636 -4.636 1.470) 6.719 9.415 ( 8.530 8.530 -4.151) 12.757 9.850 ( -5.641 -5.641 -3.790) 8.833 10.674 ( -3.172 -3.172 7.074) 8.377 10.721 ( -3.676 -3.676 0.007) 5.199 12.693 ( -3.211 -3.211 6.640) 8.044 12.946 ( -5.378 -5.378 0.801) 7.648 13.060 ( -1.833 -1.833 1.266) 2.885 13.146 ( -5.541 -5.541 3.442) 8.558 15.683 ( 2.031 2.031 -1.404) 3.197 15.779 ( 0.758 0.758 -4.972) 5.087 16.200 ( 0.027 0.027 0.079) 0.088 16.241 ( -1.267 -1.267 -0.615) 1.895 17.602 ( 14.019 14.019 -3.827) 20.192 17.624 ( 9.620 9.620 -0.744) 13.626 18.748 ( -6.510 -6.510 8.113) 12.271 19.194 ( -12.002 -12.002 -2.263) 17.124 22.654 ( 1.179 1.179 -0.613) 1.777 22.724 ( 0.031 0.031 -2.228) 2.229 24.425 ( 0.649 0.649 0.321) 0.972 24.435 ( 0.608 0.608 -0.168) 0.876 ======================= Grid point 162 (51/126) ======================= q-point: (-0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.830 ( 26.365 -7.856 -4.452) 27.868 4.073 ( 12.430 -0.603 -1.279) 12.511 4.357 ( 0.835 1.218 -8.147) 8.280 4.697 ( -6.359 15.868 0.704) 17.109 4.953 ( -11.962 -17.119 -6.738) 21.944 5.097 ( -15.925 -3.325 -0.627) 16.280 5.434 ( 11.195 5.634 1.591) 12.633 6.038 ( -7.165 -7.361 4.288) 11.131 6.855 ( 14.014 -3.996 -25.274) 29.175 7.194 ( -2.571 11.128 -18.831) 22.024 7.662 ( 7.917 1.312 8.729) 11.857 7.921 ( -3.062 0.651 7.928) 8.524 8.150 ( 5.356 2.612 2.792) 6.581 8.404 ( 4.799 -1.698 7.993) 9.477 8.543 ( -7.215 2.032 6.556) 9.958 8.632 ( -3.682 -2.478 5.965) 7.435 9.422 ( 7.021 5.477 -7.495) 11.639 9.705 ( -5.065 -1.873 -7.955) 9.615 10.682 ( 0.292 -5.751 5.201) 7.760 10.782 ( -5.812 0.893 6.973) 9.121 12.764 ( 2.889 -5.737 10.346) 12.178 12.960 ( -7.057 -0.191 5.778) 9.123 13.103 ( -1.339 0.124 5.768) 5.923 13.212 ( -9.038 -0.454 10.058) 13.530 15.626 ( 3.026 -1.167 -6.710) 7.453 15.702 ( -1.054 2.511 -7.037) 7.546 16.181 ( 0.326 -0.552 -2.127) 2.222 16.212 ( -1.573 -0.269 -1.973) 2.537 17.555 ( 20.329 -0.018 -5.259) 20.999 17.782 ( -0.369 11.768 -8.384) 14.454 18.766 ( 2.989 -12.622 10.046) 16.407 19.173 ( -17.540 3.649 9.004) 20.051 22.633 ( 2.037 -0.465 -3.194) 3.817 22.693 ( -1.005 1.728 -2.853) 3.484 24.429 ( 1.476 -0.224 0.096) 1.496 24.448 ( -0.243 0.682 0.293) 0.781 ======================= Grid point 163 (52/126) ======================= q-point: (-0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( 25.056 -23.044 -12.044) 36.109 4.074 ( 9.871 0.447 -7.352) 12.316 4.212 ( 9.522 0.195 -7.870) 12.355 4.504 ( -7.229 -19.200 -8.083) 22.051 4.953 ( -7.363 15.614 -4.680) 17.886 5.097 ( -12.079 -0.037 1.081) 12.128 5.560 ( 16.629 3.135 4.673) 17.555 5.933 ( -3.500 -13.965 -0.928) 14.427 6.306 ( 13.913 -16.284 -22.736) 31.235 7.168 ( -8.529 18.171 -11.251) 23.011 7.773 ( 7.247 3.944 2.249) 8.552 8.039 ( -6.864 -3.454 9.601) 12.298 8.227 ( 1.962 0.661 4.711) 5.146 8.479 ( -2.390 -0.192 5.998) 6.459 8.680 ( 1.932 1.307 7.062) 7.437 8.733 ( -1.459 -0.918 6.984) 7.194 9.311 ( 5.823 -1.846 -10.396) 12.058 9.602 ( -8.074 6.923 -8.528) 13.632 10.707 ( 2.247 -4.595 6.780) 8.494 10.912 ( -4.125 2.112 6.779) 8.212 12.858 ( 3.423 -4.494 10.695) 12.095 13.064 ( -3.519 0.674 6.193) 7.155 13.228 ( -0.331 1.250 8.120) 8.223 13.443 ( -11.615 5.117 15.673) 20.167 15.483 ( 2.995 -2.622 -7.592) 8.573 15.631 ( -1.986 3.039 -7.009) 7.893 16.124 ( 0.789 -0.901 -3.800) 3.985 16.170 ( -1.781 0.590 -3.793) 4.232 17.441 ( 13.029 -1.273 -8.600) 15.664 17.706 ( -0.991 1.872 -11.411) 11.606 18.755 ( 7.733 -13.114 12.242) 19.535 19.488 ( -14.963 12.384 14.238) 24.082 22.554 ( 1.843 -1.528 -4.791) 5.355 22.684 ( -2.154 3.302 -2.978) 4.941 24.425 ( 1.481 -0.420 -0.027) 1.540 24.458 ( -0.252 -0.109 0.504) 0.574 ======================= Grid point 164 (53/126) ======================= q-point: (-0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 23.944 -23.944 -13.080) 36.301 3.892 ( 13.101 -13.101 -4.611) 19.093 4.053 ( 6.982 -6.982 -10.101) 14.126 4.201 ( 5.880 -5.880 -6.384) 10.484 5.013 ( -10.757 10.757 -11.342) 18.976 5.042 ( 11.344 -11.344 -3.933) 16.517 5.499 ( 14.581 -14.581 -14.913) 25.448 5.621 ( 6.073 -6.073 3.257) 9.186 6.062 ( 1.258 -1.258 4.046) 4.420 7.280 ( -12.521 12.521 -3.685) 18.087 7.814 ( -2.570 2.570 -2.106) 4.200 8.162 ( 3.170 -3.170 12.050) 12.857 8.350 ( -7.516 7.516 4.794) 11.660 8.582 ( -0.223 0.223 6.199) 6.207 8.760 ( 2.597 -2.597 0.810) 3.761 8.775 ( 2.420 -2.420 4.455) 5.618 9.110 ( 3.692 -3.692 -8.577) 10.042 9.620 ( -11.783 11.783 -6.588) 17.919 10.756 ( 3.288 -3.288 6.326) 7.851 11.032 ( -2.110 2.110 4.916) 5.750 12.960 ( 3.731 -3.731 9.521) 10.885 13.161 ( -1.291 1.291 4.812) 5.147 13.349 ( -0.927 0.927 4.901) 5.073 13.795 ( -9.801 9.801 15.553) 20.833 15.342 ( 3.173 -3.173 -5.274) 6.925 15.578 ( -2.078 2.078 -4.249) 5.167 16.050 ( 0.720 -0.720 -4.018) 4.145 16.117 ( -1.758 1.758 -4.793) 5.400 17.264 ( 5.360 -5.360 -8.144) 11.125 17.538 ( -0.777 0.777 -11.775) 11.826 18.783 ( 11.071 -11.071 12.110) 19.794 19.868 ( -12.286 12.286 12.168) 21.213 22.459 ( 1.245 -1.245 -4.621) 4.945 22.691 ( -3.932 3.932 -2.314) 6.023 24.415 ( 0.999 -0.999 -0.098) 1.416 24.462 ( 0.316 -0.316 0.522) 0.687 ======================= Grid point 166 (54/126) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 30.250 -16.083 0.000) 34.260 2.521 ( 13.042 -63.489 -0.000) 64.815 3.935 ( 22.075 -1.458 0.000) 22.123 4.057 ( 29.355 3.998 0.000) 29.626 4.525 ( 24.173 4.941 0.000) 24.673 5.043 ( -2.560 2.914 -0.000) 3.879 5.184 ( 9.823 -3.662 0.000) 10.484 5.595 ( 6.504 1.742 0.000) 6.733 6.191 ( -14.185 -7.791 -0.000) 16.183 7.440 ( -6.223 7.268 -0.000) 9.568 7.823 ( -12.559 -1.313 -0.000) 12.627 8.332 ( 5.242 0.894 0.000) 5.318 8.416 ( -10.968 -8.950 -0.000) 14.156 8.652 ( 5.478 -0.275 0.000) 5.485 8.778 ( 1.790 -1.469 0.000) 2.316 8.864 ( 3.976 -0.367 0.000) 3.993 8.939 ( -2.725 7.927 0.000) 8.382 9.803 ( -17.060 7.709 -0.000) 18.721 10.813 ( 2.818 -1.112 0.000) 3.030 11.159 ( 1.635 1.681 0.000) 2.345 13.034 ( 7.960 -3.146 0.000) 8.559 13.293 ( -0.529 2.821 0.000) 2.870 13.407 ( -2.169 0.776 -0.000) 2.304 14.385 ( -5.183 12.590 0.000) 13.615 15.171 ( 3.962 -3.508 0.000) 5.292 15.533 ( 0.218 -2.186 -0.000) 2.197 15.983 ( -1.106 0.622 -0.000) 1.269 16.126 ( -0.804 6.142 0.000) 6.194 16.868 ( -2.110 -14.042 -0.000) 14.199 17.353 ( -2.283 2.755 -0.000) 3.578 18.756 ( 13.559 -6.283 0.000) 14.945 20.328 ( -10.190 6.966 -0.000) 12.343 22.375 ( 0.615 0.892 0.000) 1.084 22.755 ( -8.460 2.034 -0.000) 8.701 24.365 ( -0.207 -1.957 -0.000) 1.968 24.481 ( 2.045 0.884 0.000) 2.228 ======================= Grid point 167 (55/126) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 18.577 -40.671 4.485) 44.937 2.217 ( 29.284 -15.977 25.428) 41.945 3.886 ( 12.742 -3.138 -1.816) 13.247 4.138 ( 50.564 2.011 4.917) 50.842 4.711 ( 21.118 11.897 5.840) 24.933 5.045 ( 8.992 -8.388 6.114) 13.733 5.219 ( -2.087 1.583 4.934) 5.586 5.664 ( 1.145 9.076 -0.179) 9.150 6.008 ( -7.688 -12.709 -2.270) 15.026 7.515 ( -11.626 6.213 -2.660) 13.447 7.766 ( -6.781 -4.730 -2.977) 8.788 8.285 ( -8.564 -2.586 -3.703) 9.682 8.371 ( 1.808 4.150 -2.286) 5.071 8.569 ( 6.039 -6.255 -2.800) 9.134 8.746 ( 3.494 -1.369 -1.212) 3.943 8.892 ( 1.391 -0.491 3.728) 4.009 9.023 ( -4.268 5.729 -3.224) 7.837 9.903 ( -16.942 3.616 2.954) 17.573 10.773 ( 3.535 -0.343 -3.589) 5.049 11.157 ( 2.722 0.961 -2.727) 3.971 12.968 ( 4.882 -1.135 -4.090) 6.469 13.327 ( -1.365 3.341 -1.191) 3.801 13.403 ( -1.786 -0.856 -1.067) 2.250 14.477 ( -3.706 9.990 -7.991) 13.319 15.149 ( 3.720 -2.716 2.798) 5.389 15.505 ( 0.839 -2.475 1.051) 2.816 15.998 ( -0.586 0.118 1.194) 1.335 16.247 ( -0.508 8.077 2.807) 8.565 16.685 ( -2.791 -14.722 1.697) 15.080 17.462 ( -3.612 1.939 8.910) 9.808 18.657 ( 13.191 -2.202 -4.263) 14.036 20.358 ( -9.880 4.016 -5.534) 12.015 22.408 ( 0.441 1.015 2.271) 2.526 22.762 ( -7.686 -0.145 -0.810) 7.730 24.347 ( -0.319 -1.077 0.368) 1.182 24.487 ( 2.049 0.639 -0.724) 2.265 ======================= Grid point 168 (56/126) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 14.434 0.000 19.709) 24.429 2.551 ( 29.528 0.000 29.312) 41.606 3.801 ( 9.344 0.000 -5.680) 10.935 4.281 ( 41.016 0.000 12.424) 42.856 4.917 ( 25.475 0.000 7.438) 26.538 5.086 ( 16.384 0.000 11.024) 19.747 5.335 ( -9.551 -0.000 6.752) 11.696 5.697 ( -6.401 -0.000 -4.171) 7.640 5.982 ( 7.097 0.000 11.087) 13.164 7.525 ( -16.793 -0.000 -3.281) 17.111 7.633 ( -0.778 -0.000 -5.800) 5.852 8.218 ( -12.563 -0.000 -3.345) 13.000 8.310 ( 8.846 0.000 -10.226) 13.521 8.477 ( 0.118 -0.000 -4.203) 4.205 8.752 ( 7.589 0.000 4.606) 8.877 8.911 ( -0.522 -0.000 -1.200) 1.308 8.989 ( -3.153 -0.000 -5.780) 6.585 9.988 ( -15.423 -0.000 4.692) 16.121 10.709 ( 4.212 0.000 -4.110) 5.885 11.103 ( 2.541 0.000 -5.013) 5.621 12.885 ( -1.067 -0.000 -5.729) 5.827 13.319 ( -4.617 -0.000 -4.796) 6.657 13.355 ( 0.288 -0.000 -2.721) 2.736 14.393 ( -3.245 -0.000 -12.706) 13.114 15.188 ( 3.477 0.000 5.127) 6.195 15.519 ( 1.706 0.000 3.484) 3.879 16.028 ( 0.044 0.000 2.743) 2.743 16.386 ( -0.215 0.000 4.353) 4.359 16.565 ( -3.539 -0.000 -0.321) 3.553 17.622 ( 0.083 0.000 8.465) 8.465 18.601 ( 8.334 0.000 -0.500) 8.349 20.269 ( -9.498 -0.000 -9.614) 13.515 22.462 ( 0.280 0.000 3.644) 3.654 22.741 ( -4.441 -0.000 -1.090) 4.572 24.347 ( -0.408 -0.000 0.568) 0.699 24.476 ( 1.807 0.000 -1.127) 2.130 ======================= Grid point 173 (57/126) ======================= q-point: (-0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.959 ( 4.913 4.913 -13.459) 15.146 4.038 ( -2.027 -2.027 -14.235) 14.520 4.223 ( 6.538 6.538 -4.724) 10.383 4.514 ( -11.857 -11.857 -11.179) 20.152 4.847 ( 2.764 2.764 6.373) 7.476 4.983 ( -6.028 -6.028 5.570) 10.183 5.687 ( 12.003 12.003 5.081) 17.719 5.977 ( -9.234 -9.234 2.723) 13.340 6.688 ( 8.186 8.186 -21.552) 24.464 6.818 ( -1.827 -1.827 -20.014) 20.181 7.830 ( 2.729 2.729 4.552) 5.968 7.945 ( -4.820 -4.820 4.250) 8.033 8.313 ( 4.272 4.272 7.440) 9.583 8.435 ( -5.018 -5.018 3.545) 7.933 8.667 ( 3.613 3.613 9.374) 10.676 8.734 ( -1.462 -1.462 8.124) 8.383 9.370 ( 5.070 5.070 -10.010) 12.312 9.490 ( -3.859 -3.859 -11.267) 12.519 10.796 ( -0.063 -0.063 7.072) 7.073 10.827 ( -2.218 -2.218 7.330) 7.973 12.967 ( -0.545 -0.545 10.966) 10.993 12.995 ( -2.293 -2.293 8.519) 9.115 13.235 ( 1.100 1.100 11.000) 11.109 13.297 ( -3.487 -3.487 12.004) 12.978 15.552 ( 0.715 0.715 -7.067) 7.139 15.565 ( -0.157 -0.157 -7.490) 7.494 16.138 ( 0.159 0.159 -3.940) 3.947 16.150 ( -0.714 -0.714 -3.933) 4.060 17.607 ( 3.355 3.355 -11.612) 12.544 17.613 ( 3.145 3.145 -11.493) 12.324 19.053 ( 1.403 1.403 15.782) 15.906 19.151 ( -5.483 -5.483 13.751) 15.787 22.603 ( 0.933 0.933 -4.199) 4.402 22.620 ( -0.267 -0.267 -4.367) 4.384 24.447 ( 0.231 0.231 0.282) 0.431 24.448 ( 0.216 0.216 0.193) 0.362 ======================= Grid point 175 (58/126) ======================= q-point: (-0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( 20.194 -20.194 -15.424) 32.458 3.922 ( -7.714 7.714 -13.138) 17.076 4.183 ( 3.615 -3.615 -6.616) 8.361 4.293 ( -3.503 3.503 -7.816) 9.254 4.922 ( 5.394 -5.394 2.950) 8.178 5.093 ( -4.371 4.371 7.395) 9.638 5.816 ( 7.150 -7.150 3.553) 10.718 5.910 ( 4.614 -4.614 -0.004) 6.525 6.213 ( 16.776 -16.776 -16.046) 28.641 6.795 ( -21.650 21.650 -11.083) 32.562 7.847 ( 4.294 -4.294 0.131) 6.074 8.023 ( -8.295 8.295 3.626) 12.279 8.402 ( 6.440 -6.440 9.180) 12.931 8.545 ( -3.267 3.267 7.882) 9.136 8.807 ( 0.986 -0.986 4.210) 4.435 8.816 ( 0.461 -0.461 5.446) 5.485 9.205 ( 3.661 -3.661 -11.288) 12.419 9.347 ( -7.669 7.669 -10.296) 14.954 10.855 ( 3.871 -3.871 6.112) 8.205 10.956 ( -3.419 3.419 5.523) 7.340 13.072 ( 3.597 -3.597 9.746) 10.994 13.131 ( -1.200 1.200 6.497) 6.715 13.373 ( 3.367 -3.367 8.361) 9.622 13.541 ( -8.499 8.499 13.495) 18.072 15.427 ( 3.100 -3.100 -4.487) 6.274 15.509 ( -2.872 2.872 -4.025) 5.718 16.065 ( 0.468 -0.468 -4.882) 4.926 16.082 ( -0.901 0.901 -5.044) 5.202 17.395 ( 4.255 -4.255 -10.440) 12.050 17.490 ( -2.696 2.696 -12.295) 12.873 19.127 ( 13.867 -13.867 14.006) 24.099 19.509 ( -14.045 14.045 13.381) 23.949 22.509 ( 2.426 -2.426 -4.577) 5.720 22.589 ( -3.476 3.476 -3.917) 6.285 24.441 ( 0.898 -0.898 0.081) 1.272 24.460 ( -0.423 0.423 0.329) 0.682 ======================= Grid point 177 (59/126) ======================= q-point: (-0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 27.019 -16.616 0.000) 31.719 3.484 ( 11.065 -51.328 -0.000) 52.507 4.006 ( 0.618 9.926 0.000) 9.945 4.236 ( 17.269 7.538 0.000) 18.842 4.661 ( -7.099 -0.528 -0.000) 7.119 5.244 ( 21.397 -3.954 0.000) 21.759 5.369 ( 19.569 0.320 0.000) 19.571 5.721 ( 10.144 -2.845 0.000) 10.536 6.118 ( -7.095 -3.095 -0.000) 7.740 7.062 ( -33.243 6.744 -0.000) 33.920 7.770 ( 5.112 -0.072 0.000) 5.113 8.379 ( -0.783 2.700 0.000) 2.811 8.474 ( 1.114 -7.510 -0.000) 7.592 8.640 ( 1.310 3.983 0.000) 4.193 8.786 ( 0.645 2.646 0.000) 2.723 8.858 ( 2.053 -2.326 0.000) 3.102 8.952 ( 0.396 -2.760 -0.000) 2.789 9.445 ( -17.351 10.364 -0.000) 20.211 10.881 ( 4.122 -1.929 0.000) 4.551 11.133 ( -0.194 3.495 0.000) 3.500 13.201 ( 8.251 -2.999 0.000) 8.779 13.268 ( 1.796 1.655 0.000) 2.442 13.380 ( 0.618 -0.424 0.000) 0.750 14.119 ( -6.756 14.513 0.000) 16.008 15.275 ( 3.890 -3.955 0.000) 5.547 15.532 ( -2.231 0.319 -0.000) 2.253 15.966 ( -0.158 0.434 0.000) 0.462 16.047 ( -0.367 4.437 0.000) 4.452 17.023 ( -0.820 -11.452 -0.000) 11.482 17.294 ( -2.836 1.133 -0.000) 3.054 19.049 ( 13.887 -9.502 0.000) 16.827 20.060 ( -12.401 9.958 -0.000) 15.904 22.383 ( 1.286 -0.425 0.000) 1.354 22.619 ( -6.636 2.857 -0.000) 7.225 24.395 ( 0.277 -2.317 -0.000) 2.334 24.485 ( 0.341 0.956 0.000) 1.015 ======================= Grid point 178 (60/126) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 22.801 -32.124 -0.499) 39.397 2.909 ( 19.512 -37.954 20.395) 47.299 4.052 ( 8.404 1.450 -3.220) 9.115 4.460 ( 17.285 13.212 4.611) 22.240 4.784 ( -1.457 6.920 10.977) 13.058 5.182 ( 15.185 -1.275 -1.880) 15.354 5.449 ( 24.723 -1.178 8.757) 26.255 5.657 ( 7.098 -0.421 -5.655) 9.085 6.059 ( -2.374 -5.629 2.341) 6.543 7.130 ( -35.886 1.736 1.724) 35.970 7.747 ( 3.462 0.247 -4.689) 5.834 8.287 ( -3.482 -8.979 -2.677) 9.996 8.395 ( 4.762 1.104 -3.646) 6.098 8.672 ( 2.195 0.759 -3.970) 4.599 8.820 ( 1.961 -1.269 1.019) 2.548 8.857 ( -2.398 7.545 -2.218) 8.222 8.935 ( -0.209 -3.558 2.809) 4.538 9.602 ( -16.868 6.700 4.785) 18.770 10.836 ( 4.612 -0.886 -3.188) 5.676 11.157 ( 1.201 3.018 -2.815) 4.298 13.089 ( 8.751 -2.354 -7.972) 12.070 13.285 ( 1.104 2.558 -1.737) 3.283 13.384 ( -0.760 0.379 -0.910) 1.245 14.251 ( -4.693 14.546 -8.255) 17.371 15.241 ( 3.594 -3.376 2.353) 5.463 15.524 ( -1.702 -1.122 0.449) 2.088 15.994 ( 0.200 0.071 2.655) 2.663 16.145 ( -0.199 6.204 2.985) 6.887 16.866 ( -1.448 -15.477 2.649) 15.769 17.383 ( -4.626 1.279 8.980) 10.182 18.892 ( 14.065 -5.311 -6.137) 16.239 20.131 ( -11.982 7.616 -5.812) 15.341 22.405 ( 0.855 0.477 2.464) 2.651 22.657 ( -6.911 0.941 1.246) 7.085 24.366 ( 0.093 -2.022 0.235) 2.038 24.494 ( 0.502 0.912 -0.596) 1.199 ======================= Grid point 179 (61/126) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 14.428 -32.784 11.005) 37.471 3.022 ( 27.966 -10.488 27.791) 40.797 3.964 ( 10.463 -2.037 -7.588) 13.084 4.624 ( 12.874 3.520 2.856) 13.649 5.112 ( 8.206 8.462 7.739) 14.101 5.202 ( 2.970 3.533 7.549) 8.849 5.488 ( 21.280 -8.952 7.199) 24.182 5.657 ( 10.955 4.123 3.724) 12.284 6.095 ( 6.855 -0.913 8.453) 10.921 7.173 ( -33.298 -0.837 3.602) 33.502 7.630 ( -0.115 -0.014 -9.225) 9.226 8.103 ( -7.385 -8.606 -5.951) 12.807 8.377 ( 5.026 7.302 -7.201) 11.421 8.551 ( 3.732 -4.153 -7.966) 9.728 8.824 ( 0.370 1.274 0.171) 1.338 8.904 ( -4.182 1.844 -2.870) 5.397 8.940 ( 2.906 -2.291 4.743) 6.015 9.760 ( -14.337 3.262 6.854) 16.223 10.771 ( 5.290 0.200 -4.301) 6.821 11.124 ( 1.803 1.469 -5.474) 5.948 12.926 ( 5.910 -1.034 -9.910) 11.585 13.267 ( -0.722 1.604 -5.194) 5.484 13.354 ( -0.291 0.758 -3.259) 3.359 14.265 ( -3.506 11.101 -12.678) 17.212 15.256 ( 3.138 -2.787 4.937) 6.480 15.534 ( -1.539 -1.708 3.668) 4.329 16.040 ( 1.213 -0.266 3.477) 3.692 16.293 ( -0.300 8.060 3.517) 8.799 16.677 ( -1.454 -15.971 0.785) 16.056 17.571 ( -5.726 0.833 12.274) 13.570 18.756 ( 13.205 -0.806 -5.372) 14.279 20.097 ( -11.214 4.645 -9.258) 15.266 22.462 ( 0.474 0.520 3.738) 3.804 22.678 ( -5.364 -0.513 1.343) 5.554 24.351 ( -0.079 -1.064 0.492) 1.175 24.489 ( 0.538 0.429 -1.126) 1.320 ======================= Grid point 180 (62/126) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 8.974 0.000 18.189) 20.283 3.357 ( 29.328 0.000 23.157) 37.368 3.797 ( 9.213 0.000 -10.500) 13.969 4.678 ( 0.703 0.000 2.230) 2.339 5.171 ( -0.307 -0.000 -1.113) 1.155 5.399 ( 23.479 0.000 10.850) 25.865 5.653 ( -3.822 0.000 15.371) 15.839 5.810 ( 25.312 0.000 16.486) 30.207 6.234 ( 7.493 0.000 7.032) 10.276 7.240 ( -24.143 -0.000 6.462) 24.992 7.512 ( -2.805 -0.000 -5.467) 6.145 7.894 ( -11.841 -0.000 -12.128) 16.950 8.327 ( -2.887 -0.000 -10.204) 10.604 8.349 ( 10.243 0.000 -10.056) 14.354 8.811 ( -3.933 -0.000 -5.279) 6.583 8.855 ( -1.377 -0.000 -3.075) 3.369 9.020 ( 7.127 0.000 7.710) 10.499 9.892 ( -11.251 -0.000 7.192) 13.354 10.713 ( 5.010 0.000 -3.435) 6.074 11.037 ( 1.449 -0.000 -6.677) 6.832 12.765 ( 2.094 -0.000 -9.973) 10.190 13.169 ( -2.026 -0.000 -7.888) 8.144 13.317 ( 0.369 -0.000 -2.603) 2.629 14.144 ( -2.909 -0.000 -13.556) 13.864 15.322 ( 2.735 0.000 6.646) 7.186 15.591 ( -1.191 0.000 4.931) 5.072 16.094 ( 1.819 0.000 3.676) 4.101 16.452 ( -0.140 0.000 4.299) 4.302 16.498 ( -1.844 -0.000 -3.294) 3.775 17.746 ( -2.934 0.000 9.140) 9.600 18.710 ( 9.173 0.000 -0.493) 9.186 19.976 ( -9.763 -0.000 -10.451) 14.302 22.525 ( 0.252 0.000 3.870) 3.878 22.693 ( -3.224 -0.000 1.238) 3.454 24.352 ( -0.166 0.000 0.511) 0.537 24.474 ( 0.536 0.000 -1.143) 1.263 ======================= Grid point 188 (63/126) ======================= q-point: (-0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 22.382 -15.298 0.000) 27.110 3.723 ( -11.027 14.969 -0.000) 18.592 4.104 ( 13.842 -8.499 0.000) 16.242 4.288 ( 5.091 11.863 0.000) 12.909 4.770 ( 2.022 -28.375 -0.000) 28.447 5.185 ( -15.894 6.156 -0.000) 17.044 5.795 ( 13.747 -10.849 0.000) 17.512 5.952 ( 10.503 -3.260 0.000) 10.998 6.079 ( 4.519 -1.481 0.000) 4.755 6.494 ( -27.545 12.723 -0.000) 30.342 7.920 ( 13.444 -2.612 0.000) 13.696 8.177 ( -4.017 16.450 0.000) 16.933 8.616 ( 1.830 -7.993 -0.000) 8.200 8.697 ( -0.572 -1.829 -0.000) 1.916 8.790 ( 3.748 -6.227 0.000) 7.268 8.923 ( 1.899 -2.006 0.000) 2.762 8.964 ( -2.365 -0.922 -0.000) 2.538 9.079 ( -14.725 10.085 -0.000) 17.848 10.972 ( 4.853 -2.253 0.000) 5.350 11.064 ( -1.621 4.650 0.000) 4.924 13.256 ( 1.802 0.464 0.000) 1.861 13.277 ( 1.015 2.309 0.000) 2.522 13.533 ( 12.398 -6.851 0.000) 14.165 13.821 ( -7.516 14.823 0.000) 16.620 15.379 ( 3.389 -4.093 0.000) 5.314 15.472 ( -3.659 2.294 -0.000) 4.319 15.969 ( 1.258 0.224 0.000) 1.277 15.995 ( -0.002 2.866 0.000) 2.866 17.149 ( -0.192 -8.049 -0.000) 8.051 17.235 ( -4.921 0.191 -0.000) 4.925 19.383 ( 13.594 -12.190 0.000) 18.259 19.733 ( -13.245 12.287 -0.000) 18.067 22.425 ( 2.151 -2.312 0.000) 3.158 22.504 ( -4.467 2.812 -0.000) 5.278 24.432 ( 0.713 -2.053 -0.000) 2.173 24.466 ( -1.129 0.938 -0.000) 1.468 ======================= Grid point 189 (64/126) ======================= q-point: (-0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 23.788 -18.343 5.396) 30.519 3.680 ( 8.383 -37.642 8.827) 39.562 4.040 ( 5.065 10.098 -0.894) 11.333 4.505 ( 7.821 0.130 8.754) 11.740 4.599 ( -3.706 9.802 5.481) 11.826 5.248 ( -8.887 2.990 -0.384) 9.385 5.667 ( 7.346 -0.564 -7.397) 10.441 5.928 ( 21.912 -2.336 3.301) 22.282 6.115 ( 3.704 -0.728 5.170) 6.402 6.632 ( -28.354 2.133 5.405) 28.943 7.861 ( 10.743 -2.306 -4.606) 11.914 8.324 ( -2.658 3.624 -3.465) 5.675 8.455 ( 2.401 -3.621 -6.822) 8.089 8.623 ( -1.645 1.191 -3.854) 4.357 8.767 ( -1.838 0.056 -0.317) 1.866 8.853 ( -1.494 -2.194 -3.129) 4.103 8.987 ( -0.628 -2.870 5.357) 6.110 9.296 ( -12.132 7.578 9.447) 17.142 10.921 ( 5.578 -1.410 -3.145) 6.557 11.109 ( -0.216 4.885 -2.689) 5.581 13.214 ( 4.738 -0.411 -6.467) 8.027 13.281 ( 2.547 3.043 -3.454) 5.260 13.430 ( 7.683 -3.556 -3.396) 9.122 13.972 ( -5.404 16.131 -7.813) 18.721 15.334 ( 3.186 -3.614 1.566) 5.066 15.492 ( -3.103 0.926 0.234) 3.247 16.002 ( 1.138 0.151 3.425) 3.612 16.074 ( 0.107 4.258 3.403) 5.452 17.047 ( -0.636 -12.992 4.287) 13.696 17.300 ( -6.481 0.223 7.821) 10.160 19.178 ( 13.670 -8.969 -7.035) 17.799 19.838 ( -12.720 10.610 -6.039) 17.631 22.423 ( 1.408 -1.054 2.597) 3.137 22.556 ( -5.050 1.774 2.312) 5.830 24.402 ( 0.539 -2.417 0.072) 2.478 24.477 ( -1.017 0.988 -0.367) 1.464 ======================= Grid point 190 (65/126) ======================= q-point: (-0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 15.157 -41.398 3.617) 44.234 3.554 ( 21.838 -17.399 24.357) 37.053 4.084 ( 6.846 2.970 -6.313) 9.774 4.627 ( -5.645 2.048 6.051) 8.525 4.956 ( -1.198 10.966 9.614) 14.632 5.255 ( 3.986 4.191 0.122) 5.784 5.608 ( 5.048 7.186 -3.142) 9.327 6.001 ( 22.970 -2.046 8.856) 24.703 6.202 ( 8.876 -0.154 7.492) 11.617 6.747 ( -26.786 -2.139 10.591) 28.883 7.694 ( 5.607 -4.459 -10.458) 12.676 8.169 ( -4.084 -9.417 -8.089) 13.068 8.339 ( 0.979 2.798 -8.186) 8.706 8.582 ( -4.122 1.735 -8.030) 9.191 8.773 ( -0.459 0.147 -1.554) 1.627 8.807 ( -4.715 3.331 -1.316) 5.921 9.034 ( 0.067 -4.375 6.998) 8.253 9.541 ( -8.202 5.140 10.998) 14.651 10.849 ( 6.406 -0.019 -4.610) 7.893 11.107 ( 0.888 3.731 -5.374) 6.603 13.057 ( 9.580 -1.582 -11.209) 14.830 13.257 ( 2.945 2.534 -5.489) 6.725 13.339 ( 0.855 0.483 -5.166) 5.258 14.027 ( -3.667 16.044 -12.861) 20.887 15.337 ( 2.635 -3.240 4.623) 6.230 15.520 ( -2.884 -0.629 3.425) 4.521 16.062 ( 1.408 -0.249 4.213) 4.449 16.199 ( 0.085 5.667 3.863) 6.859 16.898 ( -0.487 -17.746 2.760) 17.966 17.461 ( -9.088 0.355 11.855) 14.942 18.970 ( 13.962 -3.424 -7.852) 16.381 19.850 ( -11.459 8.658 -8.876) 16.883 22.467 ( 0.795 -0.249 3.970) 4.057 22.612 ( -4.640 0.201 3.012) 5.536 24.373 ( 0.299 -1.994 0.278) 2.035 24.479 ( -0.878 0.682 -0.833) 1.389 ======================= Grid point 191 (66/126) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 8.995 -28.713 11.726) 32.293 3.778 ( 25.650 -4.513 19.976) 32.823 3.953 ( 9.897 -2.389 -9.825) 14.149 4.629 ( -9.696 -4.792 -3.273) 11.300 5.073 ( -12.039 3.391 2.469) 12.749 5.509 ( 9.041 14.176 8.222) 18.716 5.741 ( 14.702 2.595 7.797) 16.843 6.144 ( 18.596 -1.569 15.317) 24.143 6.334 ( 10.099 1.333 6.245) 11.948 6.918 ( -21.211 -1.481 15.374) 26.238 7.487 ( 0.352 -1.625 -8.617) 8.776 7.860 ( -6.740 -9.896 -14.409) 18.734 8.256 ( -1.958 3.249 -9.004) 9.770 8.437 ( -1.191 -1.444 -10.064) 10.237 8.724 ( -5.644 1.021 -4.719) 7.427 8.833 ( -1.110 1.362 -1.791) 2.509 9.089 ( -0.971 -2.884 6.793) 7.443 9.764 ( -3.808 2.925 10.701) 11.729 10.787 ( 6.597 0.775 -4.196) 7.857 11.046 ( 1.255 1.605 -7.024) 7.313 12.854 ( 9.773 -1.021 -12.321) 15.760 13.163 ( 1.523 0.295 -8.057) 8.205 13.305 ( 0.281 2.519 -3.000) 3.928 14.018 ( -2.859 11.835 -13.191) 17.951 15.379 ( 1.870 -3.240 6.472) 7.475 15.574 ( -2.874 -1.457 5.071) 6.008 16.120 ( 1.728 -0.223 3.792) 4.173 16.337 ( 0.111 7.682 2.094) 7.963 16.668 ( -0.008 -17.046 -0.581) 17.056 17.644 ( -11.065 0.143 10.806) 15.467 18.862 ( 13.167 0.476 -3.899) 13.740 19.809 ( -9.228 5.289 -8.583) 13.668 22.528 ( 0.384 -0.048 3.949) 3.967 22.652 ( -3.338 -0.547 2.703) 4.330 24.358 ( 0.074 -1.042 0.420) 1.126 24.471 ( -0.730 0.255 -1.016) 1.276 ======================= Grid point 192 (67/126) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 3.997 0.000 12.957) 13.560 3.737 ( 7.870 0.000 -12.447) 14.727 3.985 ( 21.266 0.000 7.010) 22.392 4.537 ( -8.632 -0.000 -0.685) 8.659 5.144 ( -14.742 -0.000 2.043) 14.883 5.795 ( 4.225 0.000 10.861) 11.654 5.844 ( 18.497 0.000 9.095) 20.612 6.328 ( 4.734 0.000 -7.675) 9.017 6.449 ( 17.909 0.000 22.159) 28.492 7.174 ( -13.646 -0.000 16.755) 21.609 7.441 ( -2.518 -0.000 2.532) 3.571 7.506 ( -10.750 -0.000 -18.158) 21.102 8.145 ( -1.792 -0.000 -8.051) 8.248 8.245 ( 2.583 -0.000 -13.355) 13.603 8.662 ( -5.849 -0.000 -4.348) 7.288 8.797 ( -1.199 -0.000 -2.790) 3.037 9.158 ( -3.034 -0.000 4.483) 5.413 9.936 ( 0.202 0.000 8.649) 8.651 10.736 ( 5.573 0.000 -3.278) 6.465 10.952 ( 0.966 -0.000 -6.136) 6.212 12.671 ( 8.225 0.000 -10.004) 12.951 13.052 ( 1.274 -0.000 -6.052) 6.185 13.290 ( 0.353 -0.000 -1.586) 1.624 13.923 ( -2.029 -0.000 -10.050) 10.253 15.456 ( 1.136 0.000 6.729) 6.824 15.627 ( -2.720 -0.000 2.999) 4.049 16.168 ( 1.421 0.000 2.414) 2.801 16.429 ( 0.521 -0.000 -3.894) 3.929 16.509 ( -0.043 0.000 3.077) 3.077 17.783 ( -11.337 -0.000 7.089) 13.371 18.835 ( 11.012 0.000 -1.220) 11.079 19.735 ( -5.661 -0.000 -5.676) 8.016 22.581 ( 0.184 0.000 2.851) 2.857 22.684 ( -1.960 -0.000 2.018) 2.813 24.357 ( -0.012 0.000 0.353) 0.354 24.458 ( -0.620 -0.000 -0.756) 0.978 ======================= Grid point 199 (68/126) ======================= q-point: ( 0.55 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 0.786 0.786 4.995) 5.117 3.683 ( 4.041 4.041 11.711) 13.031 4.207 ( 5.780 5.780 -5.910) 10.088 4.461 ( 5.805 5.805 7.792) 11.318 4.739 ( -11.627 -11.627 -1.267) 16.492 4.964 ( -10.921 -10.921 9.849) 18.318 5.741 ( -2.853 -2.853 -11.231) 11.933 6.044 ( 0.883 0.883 7.769) 7.869 6.203 ( 3.047 3.047 -1.839) 4.685 6.412 ( 3.931 3.931 10.519) 11.898 8.036 ( 4.747 4.747 -7.236) 9.871 8.167 ( 5.877 5.877 0.345) 8.319 8.535 ( -4.138 -4.138 -10.315) 11.859 8.605 ( -1.548 -1.548 -3.285) 3.948 8.774 ( -3.546 -3.546 -7.003) 8.613 8.851 ( -1.912 -1.912 -1.076) 2.910 8.981 ( -3.481 -3.481 6.735) 8.343 9.152 ( 1.249 1.249 14.965) 15.069 11.003 ( 2.092 2.092 -4.003) 4.977 11.040 ( 2.479 2.479 -1.761) 3.924 13.250 ( 1.818 1.818 -3.995) 4.751 13.263 ( 2.045 2.045 -3.514) 4.551 13.621 ( 3.859 3.859 -10.133) 11.509 13.724 ( 5.495 5.495 -4.171) 8.819 15.417 ( -0.503 -0.503 0.550) 0.899 15.427 ( -0.734 -0.734 0.926) 1.391 16.017 ( 1.256 1.256 3.111) 3.583 16.037 ( 1.514 1.514 4.067) 4.596 17.188 ( -4.900 -4.900 5.932) 9.122 17.199 ( -4.906 -4.906 6.348) 9.404 19.458 ( -0.390 -0.390 -9.659) 9.674 19.552 ( 1.245 1.245 -3.797) 4.185 22.464 ( -0.699 -0.699 2.064) 2.289 22.485 ( -0.433 -0.433 3.233) 3.290 24.441 ( -0.681 -0.681 -0.210) 0.985 24.444 ( -0.522 -0.522 -0.056) 0.741 ======================= Grid point 201 (69/126) ======================= q-point: (-0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 13.199 -28.944 3.767) 32.034 3.980 ( 1.555 -1.190 15.654) 15.776 4.095 ( 9.397 -4.970 -3.086) 11.069 4.422 ( -19.472 -1.084 1.026) 19.529 4.891 ( 9.138 7.029 9.843) 15.159 5.117 ( -14.120 3.097 10.840) 18.069 5.572 ( 4.374 4.829 -5.806) 8.727 6.164 ( 3.839 2.226 5.683) 7.211 6.279 ( 6.637 4.658 4.705) 9.375 6.630 ( 3.269 0.492 12.277) 12.714 7.874 ( 7.506 -6.024 -10.897) 14.539 8.188 ( -2.979 0.307 -8.792) 9.288 8.304 ( -5.681 -0.646 -11.032) 12.425 8.520 ( -1.012 -5.192 -4.050) 6.662 8.667 ( -9.444 2.524 -4.094) 10.598 8.817 ( 2.274 -1.482 -0.251) 2.726 9.039 ( -5.679 -3.545 6.358) 9.232 9.430 ( 0.943 4.214 15.287) 15.885 10.938 ( 6.232 0.294 -5.200) 8.121 11.052 ( 0.615 5.252 -4.747) 7.106 13.178 ( 5.953 0.046 -7.113) 9.275 13.241 ( 1.584 4.564 -5.124) 7.043 13.428 ( 9.792 -1.845 -12.551) 16.025 13.762 ( -2.025 15.198 -11.768) 19.328 15.412 ( 1.984 -3.232 4.075) 5.567 15.476 ( -3.242 0.848 3.575) 4.900 16.086 ( 1.977 0.209 4.267) 4.707 16.140 ( 0.361 3.458 4.455) 5.651 17.124 ( -0.226 -15.948 5.932) 17.017 17.315 ( -12.522 -0.107 9.337) 15.620 19.213 ( 11.023 -6.045 -10.184) 16.179 19.577 ( -7.813 10.573 -7.539) 15.155 22.490 ( 0.642 -1.466 3.910) 4.225 22.553 ( -2.831 0.687 4.092) 5.023 24.410 ( 0.549 -2.346 -0.054) 2.410 24.450 ( -1.886 0.744 -0.435) 2.074 ======================= Grid point 202 (70/126) ======================= q-point: (-0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 9.288 -41.889 5.052) 43.203 3.995 ( 3.390 1.913 -9.169) 9.961 4.194 ( 14.571 -4.164 15.905) 21.969 4.475 ( -23.974 -1.267 2.142) 24.102 4.887 ( -6.976 -3.658 -5.777) 9.768 5.402 ( 1.747 11.827 12.634) 17.394 5.813 ( 16.883 16.497 10.946) 26.020 6.302 ( 6.652 1.371 8.834) 11.143 6.424 ( 5.272 5.041 5.028) 8.859 6.813 ( 1.811 -2.844 14.506) 14.893 7.593 ( 3.058 -8.757 -10.283) 13.848 7.907 ( -6.650 -10.215 -15.333) 19.588 8.189 ( -4.669 2.441 -8.218) 9.762 8.383 ( -4.702 -1.728 -6.896) 8.523 8.633 ( -9.312 -0.188 -3.930) 10.109 8.810 ( 1.876 1.300 -1.376) 2.665 9.071 ( -7.588 -4.224 4.811) 9.928 9.716 ( 3.622 4.631 13.834) 15.031 10.868 ( 7.043 1.089 -4.948) 8.676 11.025 ( 1.063 3.743 -6.750) 7.791 13.032 ( 12.683 -0.984 -10.986) 16.808 13.202 ( 5.665 1.779 -8.845) 10.654 13.266 ( 1.010 2.965 -5.293) 6.150 13.782 ( -2.240 16.499 -13.144) 21.213 15.448 ( 0.941 -3.852 6.334) 7.473 15.548 ( -3.373 -0.909 5.358) 6.396 16.147 ( 1.915 -0.124 3.532) 4.020 16.256 ( 0.331 4.956 3.033) 5.819 16.927 ( 0.278 -20.286 0.992) 20.312 17.457 ( -16.097 0.079 8.703) 18.299 19.039 ( 12.195 -0.698 -6.214) 13.705 19.603 ( -5.899 9.098 -6.123) 12.453 22.539 ( 0.343 -0.738 4.039) 4.120 22.617 ( -2.626 -0.267 3.806) 4.632 24.381 ( 0.269 -1.902 0.157) 1.927 24.449 ( -1.705 0.426 -0.692) 1.889 ======================= Grid point 203 (71/126) ======================= q-point: (-0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 4.245 -26.673 8.340) 28.267 3.832 ( 4.655 1.525 -14.283) 15.100 4.167 ( -2.302 -7.077 -12.140) 14.239 4.534 ( -4.429 -2.673 14.333) 15.238 4.849 ( -13.425 1.562 1.060) 13.557 5.767 ( 8.963 14.759 10.860) 20.399 6.108 ( 18.116 1.977 7.359) 19.653 6.364 ( 6.360 5.151 -11.202) 13.873 6.641 ( 6.130 -0.018 20.896) 21.776 7.017 ( -4.978 0.507 12.544) 13.505 7.370 ( -5.315 -2.131 -11.178) 12.560 7.540 ( -3.456 -12.884 -4.322) 14.022 8.110 ( -1.470 1.719 -5.847) 6.269 8.248 ( -3.517 -1.323 -8.712) 9.487 8.563 ( -7.947 -0.297 -3.391) 8.645 8.778 ( -1.860 -0.054 -3.905) 4.325 9.080 ( -10.185 -2.927 2.783) 10.957 9.966 ( 6.549 3.315 11.129) 13.332 10.812 ( 6.366 0.897 -4.482) 7.837 10.955 ( 1.106 1.631 -6.512) 6.804 12.845 ( 16.108 -0.630 -10.665) 19.328 13.088 ( 4.211 0.182 -6.121) 7.431 13.271 ( 0.298 3.309 -1.837) 3.796 13.807 ( -1.861 12.341 -9.446) 15.652 15.491 ( -0.727 -4.323 6.213) 7.604 15.599 ( -3.354 -1.767 3.393) 5.088 16.186 ( 1.360 -0.119 1.719) 2.196 16.360 ( 0.940 6.373 0.333) 6.450 16.664 ( 0.790 -16.436 -0.428) 16.460 17.572 ( -18.937 0.138 5.953) 19.852 18.985 ( 12.048 1.550 -2.859) 12.479 19.639 ( -2.489 5.382 -1.857) 6.213 22.586 ( 0.162 -0.367 2.838) 2.866 22.662 ( -1.903 -0.563 2.921) 3.532 24.365 ( 0.097 -0.987 0.282) 1.031 24.442 ( -1.539 0.138 -0.614) 1.663 ======================= Grid point 204 (72/126) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 0.780 0.000 3.519) 3.605 3.631 ( 4.422 -0.000 -11.653) 12.464 3.858 ( -14.281 -0.000 -18.084) 23.043 4.721 ( -7.800 -0.000 10.451) 13.041 4.887 ( -2.868 -0.000 1.942) 3.464 6.050 ( 0.887 -0.000 -17.964) 17.985 6.086 ( 11.277 0.000 8.624) 14.197 6.204 ( 8.363 0.000 -1.109) 8.436 6.800 ( -7.241 -0.000 -22.906) 24.024 7.017 ( 0.472 0.000 13.568) 13.576 7.449 ( -5.757 0.000 20.169) 20.974 7.529 ( 2.423 0.000 7.519) 7.899 8.056 ( 0.993 -0.000 -2.566) 2.751 8.083 ( 2.834 -0.000 -9.800) 10.201 8.549 ( -6.618 -0.000 1.625) 6.814 8.718 ( -4.559 -0.000 -2.608) 5.252 9.080 ( -12.261 -0.000 0.024) 12.261 10.126 ( 8.985 0.000 6.264) 10.953 10.748 ( 4.597 0.000 -4.512) 6.441 10.888 ( 0.571 -0.000 -3.254) 3.303 12.713 ( 16.118 0.000 -5.663) 17.084 13.028 ( 4.327 0.000 -1.839) 4.702 13.277 ( 0.176 -0.000 -0.726) 0.747 13.804 ( -0.803 -0.000 -2.355) 2.488 15.518 ( -3.336 -0.000 1.313) 3.585 15.619 ( -2.723 -0.000 1.664) 3.191 16.195 ( 0.640 0.000 -0.388) 0.748 16.415 ( 2.977 0.000 -0.591) 3.035 16.541 ( 0.038 0.000 1.145) 1.145 17.644 ( -20.308 -0.000 3.459) 20.601 18.955 ( 11.427 0.000 -3.415) 11.927 19.688 ( 1.626 0.000 3.348) 3.722 22.612 ( 0.097 0.000 0.929) 0.934 22.694 ( -1.261 -0.000 1.807) 2.204 24.362 ( 0.094 0.000 0.193) 0.214 24.436 ( -1.430 -0.000 -0.198) 1.444 ======================= Grid point 212 (73/126) ======================= q-point: ( 0.64 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( -11.855 -11.855 0.676) 16.779 3.859 ( -18.862 -18.862 -0.596) 26.682 4.157 ( 1.909 1.909 -6.482) 7.022 4.405 ( 1.618 1.618 12.253) 12.465 4.911 ( -6.380 -6.380 -3.411) 9.646 5.305 ( 4.354 4.354 18.319) 19.326 5.810 ( 19.606 19.606 12.011) 30.217 6.318 ( 2.622 2.622 10.084) 10.744 6.420 ( 7.670 7.670 -0.693) 10.869 6.876 ( 1.979 1.979 12.760) 13.064 7.698 ( -4.721 -4.721 -14.516) 15.977 7.985 ( -8.993 -8.993 -11.861) 17.391 8.053 ( -0.089 -0.089 -8.461) 8.462 8.428 ( -3.953 -3.953 -6.971) 8.935 8.507 ( -4.212 -4.212 -1.128) 6.062 8.827 ( 0.708 0.708 -2.300) 2.509 9.040 ( -6.794 -6.794 4.842) 10.759 9.713 ( 5.389 5.389 14.689) 16.549 10.924 ( 3.874 3.874 -5.530) 7.784 10.992 ( 3.072 3.072 -6.286) 7.642 13.163 ( 3.302 3.302 -4.952) 6.806 13.177 ( 4.828 4.828 -6.672) 9.547 13.317 ( 5.950 5.950 -15.142) 17.323 13.603 ( 7.027 7.027 -12.076) 15.640 15.501 ( -2.883 -2.883 6.531) 7.699 15.511 ( -0.685 -0.685 5.232) 5.321 16.168 ( 1.311 1.311 3.013) 3.537 16.218 ( 1.912 1.912 3.788) 4.654 17.175 ( -10.921 -10.921 2.641) 15.668 17.241 ( -8.545 -8.545 6.699) 13.817 19.156 ( 3.445 3.445 -8.690) 9.962 19.470 ( 4.659 4.659 -3.446) 7.436 22.550 ( -0.648 -0.648 3.838) 3.946 22.597 ( -0.894 -0.894 4.457) 4.633 24.409 ( -1.112 -1.112 -0.098) 1.576 24.421 ( -0.623 -0.623 -0.414) 0.974 ======================= Grid point 214 (74/126) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 4.359 -37.800 1.121) 38.067 3.729 ( -23.239 -0.204 -7.693) 24.480 4.102 ( -14.263 -1.857 -4.259) 15.000 4.367 ( -5.752 -2.289 -12.109) 13.599 4.944 ( 8.798 -2.700 15.653) 18.158 5.672 ( 9.830 15.810 9.030) 20.691 6.259 ( 20.792 14.751 10.357) 27.517 6.367 ( 5.717 6.138 -16.192) 18.236 6.606 ( -2.139 3.042 20.262) 20.601 7.064 ( 2.980 -3.714 11.480) 12.428 7.318 ( -11.098 -6.906 -21.629) 25.272 7.731 ( 1.803 -14.541 2.913) 14.939 7.998 ( -7.542 5.860 -4.581) 10.593 8.263 ( 0.348 -4.936 -5.719) 7.563 8.454 ( -9.171 -0.923 -2.256) 9.490 8.761 ( -1.660 -1.331 -5.237) 5.653 9.001 ( -10.262 -6.872 2.260) 12.555 10.001 ( 7.610 6.097 12.119) 15.554 10.879 ( 5.495 1.358 -4.961) 7.526 10.936 ( 1.212 3.483 -6.866) 7.794 13.079 ( 15.784 0.995 -7.835) 17.649 13.156 ( 7.873 2.740 -8.643) 12.008 13.214 ( 0.393 5.067 -2.632) 5.724 13.591 ( 0.413 14.694 -9.140) 17.310 15.538 ( -2.705 -5.640 5.964) 8.643 15.577 ( -3.325 -1.589 3.932) 5.389 16.208 ( 1.614 0.245 0.920) 1.873 16.303 ( 1.313 3.990 1.963) 4.637 16.930 ( -0.688 -21.025 -0.346) 21.039 17.291 ( -20.677 0.062 3.538) 20.977 19.098 ( 8.362 3.174 -4.361) 9.951 19.546 ( 2.813 7.397 1.482) 8.051 22.592 ( -0.200 -0.552 2.716) 2.779 22.649 ( -1.436 -0.882 3.600) 3.975 24.385 ( 0.064 -1.746 0.127) 1.752 24.416 ( -1.825 0.222 -0.419) 1.886 ======================= Grid point 215 (75/126) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 1.155 -23.556 -0.742) 23.596 3.562 ( -16.488 1.887 -14.936) 22.327 3.808 ( -3.860 -12.354 -15.892) 20.496 4.313 ( -29.690 3.315 1.706) 29.923 5.141 ( 20.907 -1.246 10.889) 23.606 5.920 ( 3.502 16.103 -15.557) 22.662 6.127 ( 1.358 4.712 -12.449) 13.380 6.438 ( 13.723 -4.500 2.594) 14.673 6.669 ( -13.109 -5.378 -29.781) 32.980 7.047 ( 3.045 3.257 21.590) 22.046 7.365 ( -1.154 4.038 15.108) 15.680 7.662 ( 5.826 -8.975 7.344) 12.978 8.051 ( -2.426 2.641 2.268) 4.243 8.124 ( 1.562 -4.155 -3.625) 5.731 8.441 ( -8.140 0.338 2.730) 8.592 8.656 ( -5.456 -1.115 -5.152) 7.586 8.931 ( -13.621 -5.165 -0.515) 14.577 10.228 ( 9.681 4.158 7.803) 13.111 10.805 ( 4.255 0.569 -6.102) 7.461 10.886 ( 0.501 1.413 -3.747) 4.036 12.972 ( 21.548 1.151 -6.898) 22.654 13.100 ( 6.340 0.167 -1.046) 6.428 13.255 ( 0.275 3.382 -0.797) 3.485 13.700 ( -0.639 12.623 -1.618) 12.742 15.502 ( -6.853 -7.668 0.769) 10.313 15.589 ( -3.415 -1.463 0.854) 3.812 16.211 ( 1.703 0.185 -0.507) 1.787 16.387 ( 2.051 5.754 0.784) 6.159 16.680 ( 1.182 -15.372 0.847) 15.440 17.341 ( -22.872 0.678 2.420) 23.010 19.085 ( 10.040 2.813 -3.685) 11.059 19.692 ( 3.971 4.630 6.326) 8.788 22.615 ( -0.028 -0.192 0.791) 0.814 22.681 ( -1.584 -0.976 2.246) 2.917 24.370 ( 0.138 -0.889 0.194) 0.920 24.413 ( -1.784 0.077 -0.092) 1.788 ======================= Grid point 216 (76/126) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -1.336 -0.000 -11.952) 12.027 3.280 ( -22.977 -0.000 -22.671) 32.278 3.536 ( 1.386 -0.000 -4.389) 4.603 4.400 ( -33.323 -0.000 5.065) 33.705 5.225 ( 22.253 0.000 1.346) 22.294 5.575 ( -8.888 -0.000 -30.017) 31.305 5.917 ( -19.480 -0.000 -34.497) 39.617 6.300 ( 4.621 0.000 -3.448) 5.765 6.402 ( 8.137 0.000 -7.728) 11.222 7.332 ( 6.661 0.000 10.497) 12.432 7.645 ( -7.411 -0.000 15.402) 17.092 7.673 ( 7.680 0.000 0.993) 7.744 8.106 ( 2.750 0.000 5.998) 6.598 8.127 ( 8.042 0.000 8.123) 11.430 8.554 ( -5.513 -0.000 9.640) 11.105 8.603 ( -8.675 -0.000 -0.066) 8.676 8.863 ( -15.424 -0.000 -2.993) 15.712 10.330 ( 11.667 0.000 1.342) 11.744 10.720 ( 2.694 0.000 -5.463) 6.091 10.868 ( -0.866 -0.000 0.788) 1.171 12.910 ( 20.017 0.000 -2.382) 20.158 13.125 ( 8.740 0.000 3.851) 9.551 13.270 ( -0.042 -0.000 -0.145) 0.151 13.838 ( 0.344 0.000 6.983) 6.992 15.408 ( -8.602 -0.000 -3.859) 9.428 15.569 ( -6.275 -0.000 -1.959) 6.574 16.200 ( 3.244 0.000 -1.364) 3.519 16.491 ( 4.610 0.000 3.388) 5.721 16.543 ( 0.087 -0.000 -1.016) 1.020 17.386 ( -23.271 -0.000 2.779) 23.436 19.032 ( 11.289 0.000 -6.431) 12.992 19.851 ( 5.551 0.000 9.991) 11.429 22.610 ( 0.015 -0.000 -1.305) 1.305 22.697 ( -1.904 -0.000 1.069) 2.183 24.366 ( 0.196 0.000 0.019) 0.197 24.416 ( -1.621 -0.000 0.410) 1.672 ======================= Grid point 225 (77/126) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -10.726 -10.726 -13.456) 20.277 3.295 ( -22.194 -22.194 -1.161) 31.409 3.937 ( -7.623 -7.623 -1.010) 10.828 4.011 ( -6.531 -6.531 -16.794) 19.166 5.327 ( 8.375 8.375 15.144) 19.226 5.806 ( 11.697 11.697 -16.956) 23.688 6.086 ( 2.003 2.003 -20.707) 20.900 6.583 ( 9.908 9.908 0.620) 14.025 6.619 ( -9.189 -9.189 -28.641) 31.451 7.025 ( -2.050 -2.050 24.003) 24.178 7.330 ( 3.565 3.565 13.751) 14.647 7.834 ( 1.553 1.553 -6.012) 6.400 7.943 ( -3.605 -3.605 16.965) 17.715 8.206 ( -0.792 -0.792 -1.068) 1.547 8.351 ( -4.642 -4.642 2.559) 7.046 8.623 ( -3.676 -3.676 -7.024) 8.738 8.873 ( -10.617 -10.617 -0.330) 15.018 10.267 ( 7.692 7.692 8.404) 13.746 10.837 ( 2.123 2.123 -7.810) 8.367 10.872 ( 1.372 1.372 -2.858) 3.454 13.143 ( 9.823 9.823 -8.807) 16.448 13.174 ( 3.502 3.502 -0.886) 5.031 13.225 ( 6.435 6.435 0.482) 9.114 13.553 ( 7.342 7.342 -1.125) 10.444 15.516 ( -10.247 -10.247 1.807) 14.604 15.571 ( -1.925 -1.925 -0.620) 2.792 16.225 ( 1.442 1.442 -0.459) 2.090 16.357 ( 3.206 3.206 1.076) 4.660 16.877 ( -10.565 -10.565 2.056) 15.083 17.096 ( -9.206 -9.206 0.782) 13.042 19.136 ( 6.403 6.403 -3.700) 9.783 19.685 ( 5.735 5.735 7.448) 11.012 22.616 ( -0.186 -0.186 0.676) 0.725 22.677 ( -1.556 -1.556 2.440) 3.286 24.388 ( -0.853 -0.853 0.648) 1.370 24.389 ( -0.571 -0.571 -0.506) 0.952 ======================= Grid point 226 (78/126) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -1.207 -15.325 -17.592) 23.362 2.984 ( -26.622 -7.209 -18.236) 33.065 3.651 ( 2.088 -12.650 -4.948) 13.743 3.965 ( -26.601 1.438 3.567) 26.878 5.422 ( -2.107 2.134 -33.166) 33.301 5.528 ( 10.735 -3.925 -13.393) 17.607 5.710 ( -9.677 1.901 -24.520) 26.429 6.263 ( 2.695 7.859 -10.308) 13.240 6.547 ( 4.225 -3.883 -8.037) 9.876 7.413 ( 7.418 2.276 13.515) 15.584 7.522 ( -2.177 5.795 7.280) 9.556 7.825 ( 8.151 -1.953 4.822) 9.670 8.111 ( -2.254 0.306 7.824) 8.148 8.259 ( 4.573 -6.675 13.950) 16.127 8.428 ( -7.537 3.212 6.326) 10.351 8.513 ( -5.844 -0.946 1.327) 6.067 8.719 ( -13.541 -8.454 -2.210) 16.115 10.444 ( 9.858 5.198 2.574) 11.438 10.744 ( 2.013 1.154 -6.870) 7.251 10.854 ( -1.392 -0.555 0.193) 1.511 13.127 ( 12.129 2.434 -3.354) 12.817 13.226 ( 3.080 5.087 0.054) 5.947 13.318 ( 15.223 1.684 3.858) 15.794 13.749 ( 0.874 11.475 7.723) 13.859 15.331 ( -15.655 -13.147 -2.873) 20.644 15.506 ( -3.774 -1.075 -4.968) 6.331 16.249 ( 5.067 1.992 0.101) 5.446 16.429 ( 2.168 6.476 0.266) 6.834 16.728 ( 1.174 -15.832 3.565) 16.271 17.075 ( -20.128 0.880 1.651) 20.214 19.145 ( 9.110 4.477 -5.417) 11.506 19.895 ( 5.163 3.805 10.849) 12.603 22.609 ( -0.039 0.127 -1.471) 1.477 22.678 ( -2.584 -1.879 0.822) 3.299 24.373 ( 0.002 -0.632 -0.159) 0.652 24.396 ( -1.151 -0.012 0.749) 1.373 ======================= Grid point 227 (79/126) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -3.307 -0.000 -26.162) 26.370 2.571 ( -26.335 -0.000 -25.916) 36.948 3.554 ( 1.307 0.000 3.963) 4.172 4.058 ( -27.855 -0.000 4.048) 28.147 4.804 ( -24.347 -0.000 -47.569) 53.437 4.952 ( -12.223 -0.000 -31.334) 33.634 5.660 ( 19.379 0.000 -1.865) 19.468 6.212 ( -0.206 -0.000 -10.964) 10.965 6.314 ( 3.299 -0.000 -15.343) 15.694 7.447 ( -0.955 -0.000 0.716) 1.193 7.772 ( 9.832 0.000 -3.077) 10.302 7.809 ( 1.431 0.000 10.482) 10.579 8.272 ( 2.345 0.000 9.121) 9.418 8.430 ( -2.729 0.000 16.516) 16.740 8.545 ( 0.055 0.000 8.415) 8.415 8.583 ( -14.080 -0.000 -1.830) 14.198 8.701 ( -3.362 0.000 12.302) 12.753 10.471 ( 11.129 0.000 -3.010) 11.529 10.662 ( 0.858 -0.000 -4.910) 4.984 10.883 ( -2.827 -0.000 4.137) 5.011 13.117 ( 13.018 0.000 -0.259) 13.021 13.277 ( -0.101 0.000 1.260) 1.264 13.411 ( 20.919 0.000 6.804) 21.998 14.010 ( 0.899 0.000 13.526) 13.556 15.181 ( -18.306 -0.000 -1.996) 18.415 15.402 ( -6.336 -0.000 -7.137) 9.544 16.252 ( 8.092 0.000 -2.106) 8.362 16.514 ( 0.099 -0.000 -2.927) 2.928 16.622 ( 4.492 0.000 4.947) 6.682 17.130 ( -22.058 -0.000 4.140) 22.444 19.071 ( 12.148 0.000 -8.980) 15.107 20.102 ( 5.090 0.000 12.415) 13.418 22.575 ( -0.038 -0.000 -3.179) 3.179 22.666 ( -4.375 -0.000 0.074) 4.376 24.366 ( -0.047 -0.000 -0.145) 0.152 24.410 ( -0.711 -0.000 0.891) 1.140 ======================= Grid point 237 (80/126) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -5.246 -5.246 -28.849) 29.788 2.344 ( -17.103 -17.103 -25.332) 35.025 3.659 ( -5.155 -5.155 4.563) 8.601 3.755 ( -10.911 -10.911 6.147) 16.610 4.619 ( -10.169 -10.169 -55.756) 57.581 4.874 ( -7.828 -7.828 -34.345) 36.085 5.842 ( 11.237 11.237 -1.787) 15.992 6.148 ( 4.344 4.344 -11.459) 13.001 6.356 ( -3.278 -3.278 -15.609) 16.283 7.437 ( -0.448 -0.448 -3.024) 3.090 7.760 ( 8.805 8.805 5.593) 13.651 7.970 ( 1.947 1.947 -2.181) 3.513 8.233 ( -3.234 -3.234 15.973) 16.614 8.360 ( -2.858 -2.858 5.637) 6.936 8.481 ( -11.319 -11.319 4.120) 16.529 8.632 ( 1.612 1.612 13.578) 13.768 8.638 ( 0.678 0.678 13.514) 13.547 10.557 ( 6.781 6.781 -3.011) 10.051 10.663 ( 0.811 0.811 -5.731) 5.845 10.858 ( -2.592 -2.592 4.235) 5.601 13.223 ( 4.447 4.447 0.363) 6.299 13.250 ( 1.848 1.848 1.337) 2.936 13.642 ( 16.750 16.750 6.064) 24.452 13.956 ( 4.716 4.716 14.159) 15.651 15.035 ( -20.336 -20.336 -1.487) 28.797 15.361 ( -1.700 -1.700 -8.438) 8.773 16.336 ( 6.858 6.858 -0.962) 9.747 16.449 ( 3.671 3.671 -2.031) 5.574 16.798 ( -9.412 -9.412 8.560) 15.825 16.873 ( -6.205 -6.205 -0.885) 8.820 19.161 ( 7.308 7.308 -7.357) 12.686 20.135 ( 3.192 3.192 12.438) 13.232 22.572 ( 0.149 0.149 -3.292) 3.299 22.633 ( -3.683 -3.683 -0.960) 5.296 24.366 ( -0.287 -0.287 -0.182) 0.445 24.405 ( -0.006 -0.006 1.125) 1.125 ======================= Grid point 238 (81/126) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -3.474 -0.000 -33.025) 33.208 1.792 ( -24.102 -0.000 -30.361) 38.765 3.525 ( -10.699 -0.000 -59.473) 60.427 3.674 ( 3.391 0.000 7.061) 7.833 3.939 ( -30.598 -0.000 6.119) 31.203 4.323 ( -11.732 -0.000 -28.305) 30.640 5.825 ( 13.103 0.000 -7.995) 15.349 6.000 ( -1.309 -0.000 -14.013) 14.074 6.062 ( -2.662 -0.000 -16.674) 16.885 7.430 ( -2.248 -0.000 2.213) 3.154 7.822 ( 6.177 0.000 -5.942) 8.572 7.871 ( -0.137 -0.000 -4.517) 4.519 8.343 ( -5.885 -0.000 -0.508) 5.907 8.468 ( -2.128 0.000 7.588) 7.881 8.580 ( -6.347 0.000 20.238) 21.210 8.841 ( 6.919 0.000 13.160) 14.868 8.889 ( -0.266 0.000 13.060) 13.062 10.542 ( 7.216 0.000 -3.818) 8.164 10.598 ( -0.534 -0.000 -3.522) 3.562 10.912 ( -2.935 -0.000 4.613) 5.467 13.263 ( 6.492 0.000 2.096) 6.822 13.306 ( -0.062 0.000 2.555) 2.556 13.868 ( 32.530 0.000 5.387) 32.973 14.251 ( 0.745 0.000 15.760) 15.777 14.865 ( -29.768 -0.000 3.580) 29.983 15.216 ( -2.581 -0.000 -8.602) 8.981 16.344 ( 11.723 0.000 -3.936) 12.366 16.460 ( 0.071 -0.000 -4.151) 4.152 16.738 ( 3.005 0.000 2.548) 3.940 16.923 ( -19.945 -0.000 6.495) 20.976 19.093 ( 12.150 0.000 -9.471) 15.406 20.347 ( 2.828 0.000 12.008) 12.336 22.517 ( -0.045 -0.000 -4.111) 4.111 22.575 ( -7.454 -0.000 -1.439) 7.592 24.362 ( -0.186 -0.000 -0.036) 0.190 24.423 ( 0.448 0.000 0.931) 1.034 ======================= Grid point 249 (82/126) ======================= q-point: (-0.09 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.000 -0.000 -35.221) 35.221 1.077 ( 0.000 -0.000 -35.221) 35.221 2.365 ( 0.000 -0.000 -74.205) 74.205 3.807 ( 0.000 -0.000 -23.851) 23.851 3.854 ( -0.000 0.000 9.576) 9.576 3.854 ( -0.000 0.000 9.576) 9.576 5.748 ( 0.000 -0.000 -13.953) 13.953 5.783 ( 0.000 -0.000 -12.342) 12.342 5.783 ( 0.000 -0.000 -12.342) 12.342 7.471 ( -0.000 0.000 3.622) 3.622 7.752 ( 0.000 -0.000 -6.993) 6.993 7.752 ( 0.000 -0.000 -6.993) 6.993 8.298 ( -0.000 0.000 0.237) 0.237 8.575 ( -0.000 0.000 6.524) 6.524 8.838 ( -0.000 0.000 16.034) 16.034 9.063 ( -0.000 0.000 9.330) 9.330 9.063 ( -0.000 0.000 9.330) 9.330 10.547 ( 0.000 -0.000 -2.101) 2.101 10.547 ( 0.000 -0.000 -2.101) 2.101 10.948 ( -0.000 0.000 3.011) 3.011 13.348 ( -0.000 0.000 2.759) 2.759 13.348 ( -0.000 0.000 2.759) 2.759 14.438 ( 0.000 -0.000 -2.377) 2.377 14.488 ( -0.000 0.000 13.774) 13.774 14.488 ( -0.000 0.000 13.774) 13.774 15.079 ( 0.000 -0.000 -6.818) 6.818 16.394 ( 0.000 -0.000 -4.263) 4.263 16.394 ( 0.000 -0.000 -4.263) 4.263 16.743 ( 0.000 -0.000 -1.999) 1.999 16.877 ( -0.000 0.000 7.924) 7.924 19.080 ( 0.000 -0.000 -6.604) 6.604 20.534 ( -0.000 0.000 9.528) 9.528 22.454 ( 0.000 -0.000 -3.778) 3.778 22.454 ( 0.000 -0.000 -3.778) 3.778 24.361 ( -0.000 0.000 0.045) 0.045 24.443 ( -0.000 0.000 0.873) 0.873 ======================= Grid point 274 (83/126) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 22.831 22.831 11.935) 34.423 4.128 ( 14.464 14.464 9.978) 22.758 4.283 ( 7.096 7.096 -0.192) 10.038 4.421 ( 2.188 2.188 8.522) 9.067 5.018 ( -5.002 -5.002 -1.371) 7.206 5.338 ( -8.233 -8.233 1.748) 11.773 5.558 ( -7.206 -7.206 2.654) 10.531 5.820 ( 5.148 5.148 4.582) 8.602 6.473 ( 17.047 17.047 28.235) 37.127 7.448 ( -4.149 -4.149 6.681) 8.891 7.760 ( 4.946 4.946 -13.086) 14.838 7.850 ( -1.555 -1.555 -1.027) 2.428 8.213 ( -3.323 -3.323 -3.942) 6.134 8.378 ( -0.954 -0.954 -5.727) 5.883 8.533 ( 0.798 0.798 -12.365) 12.416 8.649 ( -0.729 -0.729 -2.313) 2.532 9.387 ( 7.144 7.144 6.573) 12.054 9.814 ( -8.447 -8.447 5.027) 12.960 10.586 ( 0.843 0.843 -2.498) 2.768 10.842 ( -3.013 -3.013 -6.538) 7.805 12.698 ( -0.104 -0.104 -6.010) 6.012 13.009 ( -3.344 -3.344 -4.116) 6.269 13.143 ( -2.227 -2.227 -6.161) 6.919 13.302 ( -8.203 -8.203 -13.195) 17.570 15.568 ( 2.709 2.709 7.629) 8.538 15.767 ( -1.535 -1.535 5.426) 5.844 16.156 ( 1.272 1.272 2.551) 3.122 16.227 ( -1.436 -1.436 1.858) 2.753 17.516 ( 8.212 8.212 6.918) 13.518 17.724 ( 10.120 10.120 -1.872) 14.434 18.571 ( -1.336 -1.336 1.423) 2.365 19.450 ( -13.433 -13.433 -12.959) 22.997 22.602 ( 1.286 1.286 3.784) 4.198 22.746 ( -1.448 -1.448 0.776) 2.190 24.419 ( 0.830 0.830 0.139) 1.183 24.445 ( 0.435 0.435 -0.488) 0.785 ======================= Grid point 275 (84/126) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 25.499 17.326 7.927) 31.831 4.160 ( 18.346 -12.509 -2.620) 22.359 4.412 ( 11.792 5.955 5.453) 14.291 4.672 ( -15.165 16.973 -0.191) 22.762 4.960 ( -10.774 -3.661 2.972) 11.761 5.174 ( -16.145 -14.539 -0.816) 21.742 5.473 ( 6.488 -2.634 -1.655) 7.195 5.929 ( -5.680 3.033 1.271) 6.563 7.105 ( 14.229 13.034 23.287) 30.243 7.512 ( 2.497 -0.226 0.033) 2.508 7.570 ( 5.984 -5.675 -6.818) 10.701 7.800 ( -0.371 0.335 -4.917) 4.942 8.165 ( 3.929 -0.524 0.702) 4.025 8.282 ( 3.359 -1.449 -4.843) 6.070 8.402 ( -4.883 2.679 -5.655) 7.938 8.596 ( -7.769 -2.199 -1.105) 8.149 9.528 ( 8.181 3.088 2.018) 8.974 9.793 ( -5.637 -3.288 2.562) 7.011 10.585 ( -1.066 0.949 0.415) 1.486 10.716 ( -5.052 -2.171 -4.116) 6.868 12.626 ( 2.673 -0.430 -2.381) 3.605 12.906 ( -7.697 -2.444 -2.808) 8.550 13.052 ( -2.646 -0.943 -2.164) 3.546 13.107 ( -7.432 -1.569 -4.147) 8.654 15.690 ( 2.893 1.616 3.581) 4.879 15.803 ( -0.811 -1.313 1.806) 2.376 16.195 ( 0.485 0.475 0.897) 1.126 16.231 ( -1.450 -0.495 0.420) 1.588 17.611 ( 23.473 -0.396 1.664) 23.535 17.899 ( 1.027 10.462 0.869) 10.548 18.582 ( -1.911 -0.703 1.573) 2.573 19.130 ( -17.926 -8.047 -6.738) 20.773 22.660 ( 1.682 0.894 1.564) 2.464 22.736 ( -0.774 -0.939 0.172) 1.229 24.426 ( 1.291 0.147 0.061) 1.301 24.446 ( -0.055 0.336 -0.198) 0.394 ======================= Grid point 281 (85/126) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 21.503 0.000 0.000) 21.503 1.925 ( 35.613 0.000 0.000) 35.613 3.879 ( 15.522 0.000 0.000) 15.522 4.118 ( 60.546 0.000 0.000) 60.546 4.842 ( 24.888 0.000 0.000) 24.888 4.865 ( 0.686 0.000 0.000) 0.686 5.197 ( -1.240 -0.000 -0.000) 1.240 5.769 ( 6.796 0.000 0.000) 6.796 5.876 ( -17.480 -0.000 -0.000) 17.480 7.591 ( -22.212 -0.000 -0.000) 22.212 7.759 ( 5.569 0.000 0.000) 5.569 8.281 ( -18.956 -0.000 -0.000) 18.956 8.439 ( 3.987 0.000 0.000) 3.987 8.546 ( 8.183 0.000 0.000) 8.183 8.753 ( 2.153 0.000 0.000) 2.153 8.841 ( 4.633 0.000 0.000) 4.633 9.091 ( -4.747 -0.000 -0.000) 4.747 9.904 ( -17.860 -0.000 -0.000) 17.860 10.800 ( 2.822 0.000 0.000) 2.822 11.186 ( 3.436 0.000 0.000) 3.436 12.992 ( 7.941 0.000 0.000) 7.941 13.356 ( -3.450 -0.000 -0.000) 3.450 13.404 ( 0.234 0.000 0.000) 0.234 14.612 ( -3.785 -0.000 -0.000) 3.785 15.107 ( 3.932 0.000 0.000) 3.932 15.481 ( 1.744 0.000 0.000) 1.744 15.993 ( -1.326 -0.000 -0.000) 1.326 16.306 ( -0.264 -0.000 -0.000) 0.264 16.543 ( -2.545 -0.000 -0.000) 2.545 17.399 ( -4.774 -0.000 -0.000) 4.774 18.676 ( 14.003 0.000 0.000) 14.003 20.428 ( -9.947 -0.000 -0.000) 9.947 22.399 ( 0.353 0.000 0.000) 0.353 22.769 ( -9.183 -0.000 -0.000) 9.183 24.336 ( -0.315 -0.000 -0.000) 0.315 24.498 ( 2.084 0.000 0.000) 2.084 ======================= Grid point 286 (86/126) ======================= q-point: (-0.73 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.142 ( 19.675 19.675 2.629) 27.949 4.336 ( 1.765 1.765 -5.664) 6.190 4.401 ( 0.682 0.682 -6.882) 6.949 4.618 ( 1.538 1.538 6.838) 7.175 4.841 ( -17.833 -17.833 -5.984) 25.919 4.872 ( -7.775 -7.775 2.260) 11.226 5.606 ( 11.574 11.574 -0.231) 16.370 5.874 ( -7.484 -7.484 2.856) 10.962 7.370 ( 6.302 6.302 -16.585) 18.828 7.435 ( 0.239 0.239 -15.218) 15.222 7.610 ( 7.131 7.131 9.983) 14.191 7.779 ( -4.038 -4.038 5.516) 7.940 8.204 ( 4.151 4.151 -0.296) 5.878 8.336 ( -4.795 -4.795 5.666) 8.837 8.367 ( 3.431 3.431 5.556) 7.376 8.486 ( -5.685 -5.685 2.536) 8.430 9.609 ( 5.692 5.692 -3.991) 8.985 9.731 ( -3.784 -3.784 -2.931) 6.101 10.614 ( -0.891 -0.891 4.621) 4.790 10.634 ( -2.310 -2.310 1.462) 3.579 12.681 ( 2.118 2.118 4.609) 5.497 12.790 ( -5.512 -5.512 2.547) 8.201 13.031 ( -0.281 -0.281 2.074) 2.111 13.050 ( -1.868 -1.868 2.914) 3.933 15.734 ( 1.753 1.753 -2.420) 3.464 15.773 ( -0.995 -0.995 -3.581) 3.847 16.203 ( 0.244 0.244 -0.452) 0.569 16.215 ( -0.667 -0.667 -0.542) 1.088 17.853 ( 6.514 6.514 -2.306) 9.497 17.892 ( 5.327 5.327 -5.435) 9.289 18.657 ( 1.641 1.641 7.882) 8.216 18.862 ( -11.658 -11.658 2.139) 16.626 22.687 ( 1.198 1.198 -0.834) 1.888 22.714 ( -0.737 -0.737 -1.419) 1.761 24.440 ( 0.386 0.386 0.156) 0.568 24.444 ( 0.079 0.079 -0.009) 0.112 ======================= Grid point 288 (87/126) ======================= q-point: (-0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.938 ( 23.027 -23.027 -9.974) 34.058 4.297 ( -0.380 0.380 -9.714) 9.729 4.441 ( 0.076 -0.076 -7.073) 7.074 4.482 ( 2.241 -2.241 -1.810) 3.650 4.870 ( -5.379 5.379 5.089) 9.152 4.883 ( -13.581 13.581 -1.251) 19.248 5.687 ( 8.270 -8.270 4.252) 12.444 5.853 ( -2.844 2.844 1.386) 4.254 6.922 ( 15.329 -15.329 -25.857) 33.742 7.267 ( -9.752 9.752 -17.538) 22.311 7.808 ( -0.677 0.677 2.646) 2.813 7.820 ( -0.562 0.562 8.964) 8.999 8.235 ( 4.831 -4.831 1.988) 7.116 8.354 ( -2.172 2.172 4.851) 5.742 8.544 ( 0.248 -0.248 11.816) 11.821 8.582 ( -3.041 3.041 8.037) 9.116 9.532 ( 3.964 -3.964 -8.369) 10.073 9.638 ( -4.650 4.650 -7.668) 10.102 10.644 ( 3.252 -3.252 5.933) 7.507 10.745 ( -3.940 3.940 7.056) 8.991 12.758 ( 4.219 -4.219 8.604) 10.471 12.896 ( -5.199 5.199 7.800) 10.719 13.105 ( -0.382 0.382 6.679) 6.701 13.139 ( -3.391 3.391 9.150) 10.331 15.640 ( 2.630 -2.630 -7.300) 8.193 15.710 ( -2.466 2.466 -6.682) 7.538 16.181 ( 0.638 -0.638 -2.179) 2.358 16.198 ( -0.771 0.771 -2.020) 2.296 17.723 ( 6.775 -6.775 -9.193) 13.278 17.848 ( -1.279 1.279 -8.541) 8.731 18.699 ( 10.707 -10.707 10.528) 18.443 19.063 ( -14.766 14.766 13.168) 24.688 22.645 ( 1.840 -1.840 -3.438) 4.312 22.697 ( -1.989 1.989 -2.428) 3.716 24.439 ( 0.616 -0.616 0.067) 0.874 24.449 ( -0.137 0.137 0.307) 0.363 ======================= Grid point 292 (88/126) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 16.224 -47.941 -0.000) 50.612 2.440 ( 32.823 -6.886 0.000) 33.537 4.099 ( 15.557 0.542 0.000) 15.566 4.660 ( 18.201 15.622 0.000) 23.986 4.744 ( 0.840 2.775 0.000) 2.899 5.190 ( 19.722 -0.627 0.000) 19.732 5.368 ( 28.148 -0.093 0.000) 28.148 5.700 ( 2.130 -1.751 0.000) 2.757 5.920 ( -2.244 -7.538 -0.000) 7.865 7.131 ( -42.091 0.177 -0.000) 42.092 7.823 ( 6.504 2.839 0.000) 7.097 8.175 ( -5.368 -7.975 -0.000) 9.613 8.452 ( 5.038 3.917 0.000) 6.382 8.691 ( 5.080 -4.311 0.000) 6.663 8.783 ( 1.338 -0.322 0.000) 1.376 8.882 ( 0.443 -1.102 -0.000) 1.188 8.979 ( -5.780 5.299 -0.000) 7.841 9.631 ( -18.899 3.332 -0.000) 19.190 10.851 ( 4.318 -0.455 0.000) 4.342 11.215 ( 2.448 1.934 0.000) 3.120 13.133 ( 11.350 -1.460 0.000) 11.443 13.314 ( -0.752 1.189 -0.000) 1.407 13.401 ( -0.189 0.901 0.000) 0.920 14.485 ( -4.268 9.938 0.000) 10.816 15.180 ( 3.745 -2.714 0.000) 4.625 15.506 ( -0.280 -1.450 -0.000) 1.477 15.977 ( -0.457 0.277 -0.000) 0.535 16.221 ( -0.112 8.219 0.000) 8.220 16.643 ( -1.200 -14.034 -0.000) 14.085 17.323 ( -5.411 0.730 -0.000) 5.460 18.883 ( 13.706 -2.878 0.000) 14.005 20.252 ( -12.144 3.833 -0.000) 12.735 22.397 ( 0.566 0.899 0.000) 1.063 22.654 ( -7.803 0.039 -0.000) 7.803 24.342 ( 0.019 -1.199 -0.000) 1.200 24.510 ( 0.450 0.680 0.000) 0.815 ======================= Grid point 293 (89/126) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 17.602 0.000 8.903) 19.726 2.564 ( 32.147 0.000 20.525) 38.141 4.061 ( 15.800 0.000 -5.262) 16.653 4.666 ( 14.242 0.000 -3.809) 14.743 4.969 ( 0.844 0.000 15.286) 15.309 5.204 ( 26.515 0.000 2.303) 26.615 5.348 ( 24.749 0.000 -1.887) 24.820 5.673 ( -5.364 -0.000 0.086) 5.365 5.935 ( 8.349 0.000 7.919) 11.507 7.136 ( -41.442 -0.000 0.881) 41.451 7.778 ( 5.255 0.000 -7.959) 9.537 8.100 ( -6.889 -0.000 -2.233) 7.242 8.512 ( 1.864 0.000 0.827) 2.039 8.599 ( 8.608 0.000 -5.781) 10.369 8.781 ( 3.388 0.000 1.113) 3.566 8.886 ( -1.690 -0.000 0.905) 1.917 8.992 ( -5.897 -0.000 -2.813) 6.533 9.691 ( -17.554 -0.000 4.626) 18.153 10.826 ( 4.720 0.000 -2.671) 5.423 11.203 ( 2.667 0.000 -3.194) 4.161 13.056 ( 9.198 0.000 -7.557) 11.905 13.326 ( -0.926 -0.000 -0.715) 1.170 13.394 ( 0.309 -0.000 -1.666) 1.695 14.500 ( -4.063 -0.000 -7.327) 8.378 15.179 ( 3.661 0.000 2.522) 4.445 15.493 ( -0.269 -0.000 0.312) 0.412 15.995 ( 0.148 0.000 2.039) 2.044 16.326 ( -0.243 0.000 2.900) 2.910 16.529 ( -1.040 -0.000 0.784) 1.302 17.403 ( -6.320 -0.000 9.174) 11.140 18.826 ( 13.725 0.000 -4.389) 14.410 20.238 ( -11.945 -0.000 -5.066) 12.975 22.421 ( 0.398 0.000 2.141) 2.177 22.659 ( -7.054 -0.000 0.707) 7.089 24.336 ( -0.060 0.000 0.358) 0.363 24.509 ( 0.456 0.000 -0.820) 0.939 ======================= Grid point 303 (90/126) ======================= q-point: (-0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 15.640 -46.912 -0.000) 49.450 2.999 ( 24.115 -21.937 0.000) 32.600 4.219 ( 8.792 10.477 0.000) 13.677 4.485 ( -3.048 6.039 0.000) 6.765 4.722 ( 7.146 14.703 0.000) 16.348 5.274 ( -7.242 1.438 -0.000) 7.383 5.768 ( 19.644 3.873 0.000) 20.022 5.919 ( 19.495 1.695 0.000) 19.568 5.984 ( 6.192 -8.132 0.000) 10.221 6.578 ( -35.872 -3.287 -0.000) 36.022 7.903 ( 10.511 1.193 0.000) 10.578 8.272 ( -1.440 -10.718 -0.000) 10.814 8.494 ( 5.244 0.570 0.000) 5.275 8.714 ( -2.643 4.697 -0.000) 5.389 8.775 ( -5.730 1.064 -0.000) 5.828 8.857 ( 0.262 -0.221 0.000) 0.343 8.912 ( -0.488 -2.710 -0.000) 2.753 9.314 ( -18.062 6.139 -0.000) 19.077 10.929 ( 5.845 -0.908 0.000) 5.915 11.195 ( 1.085 4.465 0.000) 4.595 13.274 ( 3.319 0.612 0.000) 3.375 13.345 ( 5.919 1.564 0.000) 6.122 13.403 ( 6.830 -2.078 0.000) 7.139 14.249 ( -4.825 15.262 0.000) 16.007 15.272 ( 3.346 -3.690 0.000) 4.981 15.499 ( -2.456 -0.183 -0.000) 2.463 15.977 ( 1.081 0.290 0.000) 1.119 16.121 ( 0.180 6.522 0.000) 6.525 16.830 ( -0.655 -14.544 -0.000) 14.559 17.237 ( -6.618 0.028 -0.000) 6.618 19.125 ( 12.927 -6.430 0.000) 14.438 20.003 ( -13.314 7.202 -0.000) 15.137 22.398 ( 1.019 0.216 0.000) 1.042 22.556 ( -5.775 0.820 -0.000) 5.833 24.369 ( 0.472 -2.198 -0.000) 2.248 24.494 ( -1.093 0.996 -0.000) 1.479 ======================= Grid point 304 (91/126) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 13.965 -40.917 3.454) 43.372 3.024 ( 28.413 -6.546 19.437) 35.042 4.256 ( 14.749 4.111 -7.238) 16.935 4.600 ( -10.155 3.918 3.462) 11.422 4.952 ( 3.795 7.049 5.815) 9.894 5.336 ( 2.094 10.046 0.953) 10.306 5.691 ( 9.244 -6.611 -3.638) 11.933 5.908 ( 34.658 -0.225 1.980) 34.715 6.052 ( 8.505 0.195 8.805) 12.244 6.572 ( -38.318 -3.686 6.254) 38.999 7.844 ( 7.159 1.254 -9.883) 12.268 8.115 ( -1.816 -8.772 -2.944) 9.430 8.488 ( 0.829 3.418 -4.003) 5.328 8.689 ( 0.121 -1.940 -4.912) 5.283 8.793 ( -3.863 1.630 0.672) 4.246 8.869 ( -5.101 1.007 -1.858) 5.522 8.901 ( 0.099 -1.210 3.143) 3.369 9.445 ( -15.032 2.962 8.134) 17.347 10.901 ( 6.209 -0.220 -2.406) 6.663 11.219 ( 1.943 2.510 -3.321) 4.594 13.197 ( 8.919 -0.597 -8.666) 12.451 13.343 ( 5.414 0.778 -1.885) 5.786 13.393 ( 0.928 0.501 -1.501) 1.835 14.369 ( -4.138 10.365 -7.285) 13.327 15.245 ( 3.134 -2.604 2.240) 4.650 15.487 ( -1.784 -0.747 -0.159) 1.941 16.004 ( 1.166 0.012 2.846) 3.075 16.242 ( 0.064 7.999 2.639) 8.423 16.648 ( -0.182 -14.067 1.422) 14.140 17.304 ( -8.071 0.093 8.206) 11.510 19.023 ( 12.857 -2.618 -4.518) 13.877 20.041 ( -13.036 3.985 -4.703) 14.420 22.422 ( 0.591 0.517 2.184) 2.321 22.575 ( -5.522 -0.110 1.726) 5.787 24.346 ( 0.321 -1.242 0.254) 1.308 24.500 ( -1.083 0.551 -0.654) 1.380 ======================= Grid point 305 (92/126) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 11.863 0.000 11.746) 16.694 3.351 ( 28.316 0.000 27.166) 39.240 4.131 ( 14.234 0.000 -11.796) 18.486 4.646 ( -8.820 -0.000 -0.871) 8.863 5.044 ( -8.621 -0.000 3.236) 9.208 5.532 ( -0.465 0.000 5.882) 5.900 5.624 ( 26.145 0.000 5.300) 26.677 5.955 ( 25.154 0.000 5.993) 25.858 6.209 ( 9.731 0.000 10.702) 14.464 6.688 ( -30.019 -0.000 12.099) 32.365 7.664 ( 3.032 -0.000 -13.581) 13.916 7.963 ( -3.521 -0.000 -8.318) 9.032 8.425 ( -4.089 -0.000 -8.473) 9.408 8.564 ( -0.119 -0.000 -8.165) 8.166 8.796 ( -6.991 -0.000 -3.182) 7.681 8.857 ( -1.090 -0.000 -0.264) 1.122 8.962 ( 0.877 0.000 6.582) 6.640 9.616 ( -9.304 -0.000 10.851) 14.294 10.853 ( 6.560 0.000 -3.735) 7.548 11.161 ( 1.915 -0.000 -6.129) 6.421 13.033 ( 10.504 0.000 -11.572) 15.629 13.283 ( 2.644 -0.000 -6.596) 7.106 13.365 ( 0.392 -0.000 -2.657) 2.686 14.296 ( -3.729 -0.000 -11.700) 12.279 15.275 ( 2.616 0.000 4.171) 4.923 15.499 ( -1.958 -0.000 2.953) 3.543 16.057 ( 1.600 0.000 4.002) 4.310 16.381 ( -0.164 0.000 4.448) 4.451 16.524 ( 0.254 -0.000 -1.016) 1.048 17.466 ( -9.958 -0.000 11.936) 15.544 18.931 ( 13.189 0.000 -5.074) 14.131 19.972 ( -11.792 -0.000 -7.696) 14.082 22.471 ( 0.377 0.000 3.513) 3.533 22.607 ( -4.494 -0.000 2.589) 5.186 24.344 ( 0.151 0.000 0.455) 0.479 24.490 ( -0.914 -0.000 -1.095) 1.426 ======================= Grid point 314 (93/126) ======================= q-point: (-0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 20.547 -12.704 0.000) 24.157 3.640 ( -1.624 -19.591 -0.000) 19.658 4.162 ( 8.348 -11.412 0.000) 14.139 4.511 ( 3.075 -2.571 0.000) 4.009 4.585 ( 7.462 17.977 0.000) 19.464 4.892 ( -38.727 5.099 -0.000) 39.061 5.855 ( 5.391 -0.603 0.000) 5.425 5.952 ( -4.512 1.585 -0.000) 4.782 6.278 ( 19.266 3.628 0.000) 19.605 6.380 ( -0.395 2.243 0.000) 2.278 8.085 ( 14.312 -2.910 0.000) 14.605 8.312 ( -3.208 7.506 0.000) 8.162 8.523 ( -0.191 -4.785 -0.000) 4.789 8.639 ( -7.833 0.615 -0.000) 7.857 8.727 ( 1.850 -8.674 -0.000) 8.869 8.885 ( -4.056 -2.393 -0.000) 4.709 8.931 ( -0.269 -0.827 -0.000) 0.870 9.009 ( -11.072 6.553 -0.000) 12.866 11.028 ( 6.743 -0.942 0.000) 6.808 11.127 ( -0.205 6.305 0.000) 6.309 13.295 ( 2.529 0.704 0.000) 2.625 13.326 ( 0.564 3.157 0.000) 3.207 13.652 ( 16.936 -4.946 0.000) 17.644 13.957 ( -5.194 17.439 0.000) 18.196 15.366 ( 2.688 -3.977 0.000) 4.800 15.447 ( -3.672 1.528 -0.000) 3.977 16.000 ( 2.888 0.241 0.000) 2.898 16.048 ( 0.234 4.670 0.000) 4.676 17.003 ( -0.626 -12.095 -0.000) 12.111 17.137 ( -8.995 -0.558 -0.000) 9.013 19.405 ( 11.752 -10.163 0.000) 15.537 19.708 ( -12.727 9.889 -0.000) 16.117 22.423 ( 1.452 -1.475 0.000) 2.070 22.477 ( -3.570 1.447 -0.000) 3.852 24.411 ( 0.858 -2.587 -0.000) 2.725 24.457 ( -2.192 1.047 -0.000) 2.429 ======================= Grid point 315 (94/126) ======================= q-point: (-0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 11.523 -49.220 -2.104) 50.594 3.487 ( 19.768 -12.949 19.166) 30.427 4.229 ( -5.146 11.282 -1.337) 12.472 4.480 ( 2.353 3.475 -4.082) 5.855 4.888 ( 1.426 9.088 7.959) 12.164 5.031 ( -26.555 8.605 6.169) 28.588 5.739 ( 1.590 3.885 -8.055) 9.083 6.114 ( 3.164 1.749 11.683) 12.230 6.274 ( 15.393 0.802 -2.867) 15.678 6.459 ( 12.399 -1.744 8.346) 15.048 7.974 ( 10.420 -3.210 -9.647) 14.559 8.231 ( -1.145 -9.617 -4.271) 10.585 8.459 ( -1.902 0.931 -8.964) 9.211 8.596 ( -9.559 3.541 -5.919) 11.788 8.708 ( -7.043 -1.141 2.244) 7.479 8.799 ( -1.557 -0.355 -3.232) 3.605 8.929 ( -3.457 -2.026 3.551) 5.354 9.246 ( -5.833 3.847 15.084) 16.624 10.998 ( 7.352 -0.269 -2.642) 7.817 11.185 ( 0.940 5.273 -3.008) 6.143 13.271 ( 3.480 0.410 -4.318) 5.561 13.350 ( 0.849 3.309 -2.337) 4.139 13.543 ( 15.656 -2.984 -6.730) 17.300 14.131 ( -4.026 15.903 -7.114) 17.881 15.325 ( 2.467 -3.471 1.647) 4.566 15.458 ( -2.927 0.321 0.109) 2.946 16.028 ( 2.614 0.076 3.052) 4.020 16.147 ( 0.200 6.238 2.864) 6.867 16.847 ( -0.278 -15.037 2.789) 15.296 17.183 ( -10.293 -0.418 6.604) 12.237 19.246 ( 11.313 -6.138 -5.175) 13.872 19.790 ( -12.233 7.231 -4.117) 14.794 22.430 ( 0.877 -0.304 2.238) 2.423 22.510 ( -3.668 0.478 2.359) 4.388 24.377 ( 0.672 -2.247 0.063) 2.346 24.468 ( -2.172 0.845 -0.390) 2.363 ======================= Grid point 316 (95/126) ======================= q-point: (-0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 9.582 -35.142 6.360) 36.976 3.734 ( 22.228 -4.453 26.394) 34.793 4.262 ( 5.578 7.214 -11.337) 14.550 4.462 ( -16.056 -1.807 -1.779) 16.255 4.955 ( -4.302 -1.185 -3.847) 5.892 5.299 ( -20.478 7.982 13.955) 26.035 5.863 ( 16.150 11.825 7.089) 21.235 6.222 ( 11.552 -3.122 3.746) 12.539 6.340 ( 11.065 1.419 10.310) 15.190 6.580 ( 10.642 -1.712 11.246) 15.578 7.725 ( 5.391 -2.278 -16.398) 17.411 7.989 ( -3.320 -8.612 -10.675) 14.112 8.337 ( -5.578 1.472 -8.576) 10.336 8.503 ( -9.059 0.155 -8.186) 12.210 8.676 ( -10.190 -0.646 -3.406) 10.764 8.831 ( -0.542 2.338 1.320) 2.739 8.957 ( -4.801 -2.786 4.514) 7.155 9.532 ( -0.505 2.410 16.095) 16.282 10.947 ( 7.534 0.303 -3.930) 8.503 11.168 ( 1.523 2.546 -6.115) 6.796 13.173 ( 8.124 -0.229 -8.447) 11.722 13.346 ( 2.867 2.653 -4.269) 5.786 13.384 ( 9.191 -1.048 -9.138) 13.004 14.169 ( -3.416 10.860 -11.543) 16.212 15.324 ( 1.465 -2.806 3.621) 4.810 15.476 ( -2.292 -0.467 2.693) 3.567 16.085 ( 2.423 -0.107 4.083) 4.749 16.293 ( 0.146 7.872 3.517) 8.623 16.670 ( 0.399 -15.203 0.935) 15.237 17.311 ( -13.017 -0.107 9.802) 16.295 19.109 ( 11.512 -1.656 -5.294) 12.779 19.788 ( -10.533 4.234 -5.919) 12.803 22.475 ( 0.466 0.077 3.552) 3.583 22.557 ( -3.257 -0.244 3.418) 4.728 24.356 ( 0.390 -1.228 0.250) 1.312 24.467 ( -1.984 0.382 -0.810) 2.177 ======================= Grid point 317 (96/126) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 6.382 0.000 11.052) 12.762 4.094 ( 11.733 0.000 -15.865) 19.732 4.104 ( 23.981 0.000 21.267) 32.052 4.371 ( -24.329 -0.000 -4.286) 24.704 4.882 ( -16.515 -0.000 -3.337) 16.849 5.625 ( -5.945 0.000 18.751) 19.671 6.040 ( 23.566 0.000 3.881) 23.883 6.348 ( 12.881 0.000 15.324) 20.019 6.476 ( 10.384 0.000 3.884) 11.087 6.781 ( 1.914 0.000 16.158) 16.271 7.471 ( -0.746 -0.000 -11.734) 11.758 7.699 ( -6.512 -0.000 -18.559) 19.668 8.224 ( -4.972 -0.000 -7.540) 9.031 8.377 ( -5.888 -0.000 -8.394) 10.253 8.613 ( -10.498 -0.000 -3.799) 11.164 8.834 ( -0.742 -0.000 -2.687) 2.788 9.008 ( -7.888 -0.000 4.298) 8.983 9.787 ( 3.722 0.000 14.622) 15.088 10.886 ( 7.156 0.000 -4.351) 8.375 11.077 ( 1.494 -0.000 -7.523) 7.670 13.016 ( 13.961 0.000 -11.399) 18.024 13.212 ( 6.347 0.000 -9.691) 11.584 13.328 ( 0.400 -0.000 -2.626) 2.656 14.063 ( -2.861 -0.000 -12.076) 12.411 15.369 ( 0.148 0.000 5.281) 5.283 15.528 ( -2.477 -0.000 4.286) 4.950 16.144 ( 2.098 0.000 3.541) 4.116 16.449 ( -0.059 0.000 4.409) 4.410 16.501 ( 1.208 -0.000 -3.149) 3.373 17.458 ( -16.112 -0.000 8.880) 18.397 19.037 ( 11.882 0.000 -3.294) 12.330 19.731 ( -7.342 -0.000 -5.094) 8.936 22.532 ( 0.299 0.000 3.699) 3.711 22.608 ( -2.591 -0.000 3.521) 4.372 24.352 ( 0.163 0.000 0.364) 0.399 24.455 ( -1.727 -0.000 -0.906) 1.950 ======================= Grid point 325 (97/126) ======================= q-point: ( 0.55 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( -8.118 -8.118 -1.121) 11.535 3.755 ( -2.604 -2.604 13.669) 14.157 4.079 ( -19.154 -19.154 -5.977) 27.739 4.397 ( 4.983 4.983 -1.300) 7.166 4.630 ( -7.650 -7.650 11.553) 15.827 4.880 ( 10.669 10.669 10.451) 18.354 5.733 ( 2.484 2.484 -8.928) 9.594 6.110 ( 3.086 3.086 12.070) 12.835 6.385 ( 10.402 10.402 -4.512) 15.387 6.580 ( 8.480 8.480 7.392) 14.087 8.148 ( 3.095 3.095 -11.243) 12.065 8.260 ( 0.844 0.844 -3.016) 3.244 8.389 ( -6.294 -6.294 -11.346) 14.421 8.525 ( -4.820 -4.820 -0.599) 6.843 8.645 ( -6.216 -6.216 -8.582) 12.285 8.804 ( -1.268 -1.268 2.734) 3.270 8.894 ( -2.846 -2.846 3.062) 5.057 9.190 ( 1.639 1.639 18.241) 18.388 11.085 ( 3.820 3.820 -3.890) 6.657 11.121 ( 3.408 3.408 -1.723) 5.118 13.304 ( 2.051 2.051 -3.190) 4.312 13.318 ( 1.918 1.918 -2.429) 3.641 13.773 ( 7.170 7.170 -11.227) 15.128 13.894 ( 6.814 6.814 -4.017) 10.440 15.397 ( -1.537 -1.537 0.509) 2.232 15.405 ( -0.362 -0.362 1.183) 1.289 16.065 ( 2.255 2.255 2.411) 3.998 16.087 ( 2.221 2.221 3.629) 4.799 17.030 ( -6.558 -6.558 4.813) 10.449 17.035 ( -7.023 -7.023 4.529) 10.916 19.449 ( -0.329 -0.329 -8.491) 8.504 19.572 ( 0.162 0.162 -0.887) 0.916 22.449 ( -0.386 -0.386 1.788) 1.870 22.471 ( -0.547 -0.547 3.049) 3.146 24.418 ( -0.995 -0.995 -0.394) 1.462 24.427 ( -0.729 -0.729 0.094) 1.035 ======================= Grid point 327 (98/126) ======================= q-point: (-0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 7.453 -46.746 1.335) 47.356 3.813 ( -35.929 1.422 2.789) 36.065 4.117 ( 7.914 -0.948 17.167) 18.927 4.398 ( 6.327 7.923 -12.212) 15.873 4.938 ( -11.346 0.916 24.666) 27.166 4.966 ( -3.482 -0.020 -4.134) 5.405 5.868 ( 15.032 15.497 11.171) 24.309 6.335 ( 8.779 6.318 6.755) 12.752 6.467 ( 12.716 5.711 2.348) 14.136 6.759 ( 11.218 2.676 6.235) 13.111 7.873 ( 4.944 -6.335 -18.635) 20.294 8.059 ( -4.850 -9.635 -13.795) 17.512 8.226 ( -8.904 2.906 -9.042) 13.019 8.407 ( -4.085 -5.783 -3.708) 7.992 8.527 ( -12.683 -0.433 -2.593) 12.952 8.822 ( 0.040 -1.509 1.612) 2.208 8.912 ( -6.446 -2.846 3.255) 7.762 9.519 ( 3.822 3.794 18.721) 19.480 11.040 ( 7.080 1.104 -4.924) 8.695 11.134 ( 1.144 4.799 -5.252) 7.205 13.254 ( 4.811 0.366 -4.940) 6.906 13.313 ( 0.555 3.911 -3.554) 5.313 13.597 ( 16.595 -0.219 -14.152) 21.811 13.944 ( -1.818 14.827 -11.156) 18.644 15.378 ( -0.524 -3.753 2.954) 4.805 15.447 ( -1.746 0.356 3.112) 3.586 16.126 ( 3.654 0.222 3.688) 5.197 16.204 ( 0.282 5.489 3.970) 6.780 16.895 ( -0.153 -17.051 3.197) 17.349 17.119 ( -15.543 -0.232 6.841) 16.983 19.278 ( 7.294 -2.992 -7.167) 10.654 19.598 ( -5.510 5.875 -3.261) 8.690 22.483 ( 0.263 -0.447 3.513) 3.551 22.525 ( -1.762 -0.156 3.969) 4.345 24.385 ( 0.341 -2.121 -0.122) 2.152 24.430 ( -2.212 0.542 -0.382) 2.310 ======================= Grid point 328 (99/126) ======================= q-point: (-0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 5.222 -31.791 6.849) 32.937 3.866 ( -40.885 4.048 -2.067) 41.137 4.243 ( 5.345 1.066 -14.470) 15.463 4.387 ( 13.700 -1.652 12.688) 18.745 4.749 ( -4.588 -3.621 -4.192) 7.193 5.488 ( -4.523 5.955 31.339) 32.218 6.274 ( 21.434 11.065 8.542) 25.589 6.480 ( 12.458 6.132 7.099) 15.595 6.602 ( 10.431 3.973 1.870) 11.318 6.873 ( 8.118 -0.601 8.887) 12.052 7.501 ( -1.340 -6.148 -15.389) 16.625 7.669 ( -7.858 -9.497 -19.207) 22.822 8.138 ( -6.708 1.599 -5.359) 8.733 8.296 ( -4.819 -1.205 -5.478) 7.395 8.473 ( -11.826 -1.834 -2.669) 12.262 8.808 ( -2.538 -0.325 -2.413) 3.517 8.907 ( -8.960 -2.975 1.822) 9.615 9.840 ( 6.171 2.906 16.660) 18.002 10.975 ( 6.561 0.783 -5.245) 8.436 11.082 ( 1.314 2.105 -7.358) 7.765 13.173 ( 8.052 -0.029 -5.699) 9.865 13.312 ( 0.571 3.046 -2.945) 4.275 13.372 ( 16.827 -0.022 -14.345) 22.112 13.945 ( -2.289 11.267 -11.833) 16.498 15.383 ( -2.467 -4.043 4.494) 6.529 15.503 ( -1.720 -0.419 4.011) 4.384 16.180 ( 3.155 -0.016 2.878) 4.271 16.346 ( 0.371 7.669 2.695) 8.137 16.681 ( 0.377 -16.459 -0.278) 16.465 17.220 ( -18.650 0.041 5.987) 19.588 19.177 ( 8.585 0.072 -3.676) 9.339 19.626 ( -3.525 3.853 -1.552) 5.448 22.537 ( 0.226 -0.125 3.691) 3.700 22.582 ( -1.812 -0.428 3.949) 4.366 24.363 ( 0.127 -1.148 0.159) 1.166 24.427 ( -2.036 0.223 -0.631) 2.143 ======================= Grid point 329 (100/126) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 2.477 0.000 7.882) 8.262 3.828 ( -34.912 -0.000 -8.926) 36.035 3.961 ( 7.885 -0.000 -18.666) 20.263 4.368 ( -14.759 -0.000 -6.026) 15.942 4.903 ( 15.082 0.000 18.149) 23.598 5.984 ( 6.370 0.000 23.694) 24.535 6.336 ( 17.029 0.000 -3.647) 17.415 6.484 ( 6.538 -0.000 -19.588) 20.650 6.736 ( 3.333 0.000 15.274) 15.633 7.020 ( 2.482 0.000 -0.423) 2.517 7.273 ( -6.033 -0.000 -10.417) 12.038 7.410 ( 0.083 0.000 8.060) 8.060 8.103 ( -1.591 -0.000 -2.089) 2.626 8.185 ( -4.468 -0.000 -7.553) 8.776 8.422 ( -10.993 -0.000 -1.198) 11.058 8.737 ( -3.844 -0.000 -5.772) 6.935 8.902 ( -12.213 -0.000 0.312) 12.217 10.092 ( 7.984 0.000 13.210) 15.435 10.898 ( 5.368 0.000 -5.597) 7.755 10.982 ( 1.160 -0.000 -6.910) 7.007 13.084 ( 16.239 0.000 -6.089) 17.343 13.179 ( 11.447 0.000 -9.722) 15.018 13.299 ( 0.300 -0.000 -1.758) 1.784 13.871 ( -1.698 -0.000 -8.264) 8.437 15.414 ( -5.229 -0.000 3.558) 6.325 15.553 ( -2.035 -0.000 2.798) 3.460 16.209 ( 2.171 0.000 0.923) 2.359 16.474 ( 1.946 0.000 -2.291) 3.006 16.508 ( 0.023 0.000 3.162) 3.162 17.297 ( -21.312 -0.000 3.948) 21.675 19.142 ( 9.356 0.000 -2.025) 9.573 19.657 ( 0.009 0.000 2.214) 2.214 22.586 ( 0.190 0.000 2.673) 2.680 22.633 ( -1.722 -0.000 3.189) 3.624 24.359 ( 0.052 0.000 0.328) 0.332 24.419 ( -1.871 -0.000 -0.532) 1.945 ======================= Grid point 338 (101/126) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( -18.687 -18.687 2.833) 26.579 3.243 ( -24.012 -24.012 1.486) 33.990 4.264 ( 5.597 5.597 -15.918) 17.778 4.492 ( 2.900 2.900 4.102) 5.801 4.774 ( -3.199 -3.199 2.892) 5.370 5.406 ( 3.416 3.416 35.482) 35.809 6.341 ( 18.759 18.759 15.592) 30.772 6.514 ( 10.458 10.458 -0.858) 14.814 6.647 ( 8.924 8.924 -1.240) 12.682 6.944 ( 2.947 2.947 6.492) 7.715 7.538 ( -6.734 -6.734 -21.398) 23.422 7.715 ( -10.480 -10.480 -13.194) 19.843 8.041 ( -0.938 -0.938 -6.379) 6.516 8.322 ( -4.197 -4.197 -3.395) 6.838 8.357 ( -6.252 -6.252 -1.114) 8.912 8.797 ( -2.586 -2.586 -2.611) 4.493 8.860 ( -6.198 -6.198 1.196) 8.847 9.863 ( 5.262 5.262 17.183) 18.725 11.027 ( 3.474 3.474 -6.247) 7.947 11.065 ( 2.261 2.261 -6.678) 7.404 13.248 ( 2.946 2.946 -3.843) 5.668 13.268 ( 2.452 2.452 -3.530) 4.948 13.558 ( 10.707 10.707 -15.704) 21.815 13.786 ( 6.217 6.217 -11.364) 14.368 15.397 ( -4.815 -4.815 4.255) 8.030 15.494 ( -0.586 -0.586 4.011) 4.096 16.215 ( 2.216 2.216 1.775) 3.602 16.283 ( 2.944 2.944 3.849) 5.670 16.879 ( -10.611 -10.611 -0.327) 15.009 17.009 ( -8.413 -8.413 4.974) 12.896 19.243 ( 2.826 2.826 -4.750) 6.207 19.566 ( 2.488 2.488 0.702) 3.588 22.540 ( -0.111 -0.111 3.654) 3.658 22.572 ( -0.918 -0.918 4.145) 4.344 24.378 ( -1.091 -1.091 -0.050) 1.544 24.405 ( -0.562 -0.562 -0.394) 0.887 ======================= Grid point 339 (102/126) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 2.191 -29.425 4.753) 29.887 3.251 ( -43.405 1.743 0.007) 43.440 4.053 ( 3.776 0.649 -17.774) 18.182 4.247 ( -5.777 -2.732 -19.195) 20.231 5.085 ( 10.258 1.721 23.909) 26.074 5.993 ( 9.400 10.993 24.021) 28.040 6.513 ( 5.478 3.692 -26.113) 26.936 6.580 ( 13.152 0.111 0.664) 13.170 6.720 ( 2.721 7.028 3.649) 8.373 7.033 ( -5.621 -5.308 -21.887) 23.212 7.180 ( 1.993 7.381 11.207) 13.566 7.555 ( 0.794 -13.131 13.159) 18.606 8.003 ( -4.472 6.400 -3.377) 8.506 8.192 ( -0.674 -6.304 -3.339) 7.165 8.295 ( -9.988 -1.652 -0.896) 10.163 8.690 ( -4.331 -2.191 -6.374) 8.011 8.780 ( -9.930 -4.903 -1.592) 11.189 10.167 ( 6.490 3.614 14.190) 16.017 10.955 ( 3.697 0.654 -6.383) 7.405 10.985 ( 0.898 1.684 -7.217) 7.465 13.211 ( 6.184 0.154 -2.321) 6.607 13.278 ( 0.213 3.454 -2.034) 4.014 13.424 ( 21.003 2.739 -11.770) 24.232 13.767 ( -0.723 10.868 -7.999) 13.514 15.368 ( -8.239 -6.706 1.760) 10.768 15.536 ( -1.418 -0.799 2.456) 2.947 16.242 ( 2.710 0.551 -0.089) 2.767 16.392 ( 1.731 6.187 2.050) 6.744 16.673 ( -1.249 -14.738 0.200) 14.792 17.022 ( -18.028 -0.797 2.515) 18.220 19.231 ( 5.669 2.171 -1.640) 6.288 19.650 ( 2.371 2.929 4.728) 6.046 22.588 ( 0.058 -0.028 2.612) 2.612 22.618 ( -1.352 -0.785 3.208) 3.568 24.365 ( -0.287 -0.949 0.382) 1.062 24.396 ( -1.306 0.040 -0.488) 1.395 ======================= Grid point 340 (103/126) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 0.316 0.000 0.441) 0.542 3.200 ( -34.978 -0.000 -9.977) 36.373 3.752 ( 3.917 -0.000 -17.644) 18.073 4.010 ( -16.931 -0.000 -8.770) 19.067 5.413 ( 18.341 0.000 15.494) 24.010 6.017 ( -1.567 -0.000 -36.011) 36.045 6.211 ( -4.113 -0.000 -22.865) 23.232 6.473 ( 8.937 0.000 -6.996) 11.349 6.557 ( -0.113 -0.000 -9.304) 9.304 7.068 ( -4.724 0.000 25.242) 25.680 7.508 ( 11.479 0.000 9.333) 14.794 7.662 ( 7.170 0.000 14.212) 15.918 8.043 ( -5.008 -0.000 0.193) 5.012 8.106 ( 2.306 0.000 1.236) 2.616 8.313 ( -9.537 -0.000 6.130) 11.337 8.569 ( -5.909 -0.000 -6.696) 8.931 8.702 ( -13.635 -0.000 -3.051) 13.972 10.380 ( 8.091 0.000 9.859) 12.754 10.856 ( 2.750 -0.000 -6.852) 7.383 10.897 ( -0.066 -0.000 -5.316) 5.316 13.184 ( 6.412 0.000 -2.128) 6.756 13.281 ( 0.123 -0.000 -1.066) 1.073 13.312 ( 24.870 0.000 -4.163) 25.216 13.785 ( -0.567 -0.000 -0.512) 0.764 15.293 ( -13.718 -0.000 -3.340) 14.118 15.544 ( -2.332 -0.000 -0.875) 2.490 16.249 ( 3.444 0.000 0.807) 3.537 16.503 ( 2.868 0.000 1.639) 3.304 16.543 ( 0.057 0.000 1.198) 1.199 17.051 ( -19.964 -0.000 1.908) 20.055 19.226 ( 7.512 0.000 -1.915) 7.752 19.773 ( 3.650 0.000 8.286) 9.054 22.615 ( 0.085 0.000 0.775) 0.780 22.649 ( -1.905 -0.000 1.681) 2.541 24.366 ( 0.101 0.000 0.412) 0.425 24.391 ( -1.501 -0.000 -0.064) 1.502 ======================= Grid point 350 (104/126) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -11.132 -11.132 -4.015) 16.247 2.772 ( -15.019 -15.019 -0.972) 21.262 3.820 ( -1.403 -1.403 -14.452) 14.588 3.866 ( -3.946 -3.946 -18.725) 19.538 5.558 ( 7.700 7.700 20.594) 23.295 5.986 ( 1.787 1.787 -38.003) 38.087 6.150 ( 0.004 0.004 -33.743) 33.743 6.499 ( 2.981 2.981 -14.108) 14.725 6.657 ( -2.094 -2.094 -7.286) 7.865 6.996 ( -1.298 -1.298 33.467) 33.517 7.558 ( 11.457 11.457 11.412) 19.817 7.863 ( -2.061 -2.061 20.405) 20.612 7.886 ( 1.697 1.697 -5.375) 5.886 8.188 ( -7.035 -7.035 7.182) 12.271 8.202 ( 0.705 0.705 0.537) 1.133 8.520 ( -3.511 -3.511 -7.528) 9.018 8.605 ( -8.639 -8.639 -3.967) 12.845 10.437 ( 4.584 4.584 10.925) 12.704 10.879 ( 0.968 0.968 -7.597) 7.720 10.891 ( 0.171 0.171 -5.769) 5.774 13.253 ( 2.138 2.138 -1.086) 3.212 13.256 ( 1.962 1.962 -1.663) 3.234 13.557 ( 13.279 13.279 -3.339) 19.074 13.716 ( 4.370 4.370 -0.193) 6.183 15.191 ( -12.402 -12.402 -5.799) 18.472 15.527 ( -1.233 -1.233 -1.409) 2.242 16.281 ( 2.538 2.538 1.915) 4.068 16.459 ( 4.189 4.189 1.222) 6.049 16.646 ( -6.550 -6.550 2.303) 9.546 16.868 ( -7.466 -7.466 1.043) 10.609 19.278 ( 3.817 3.817 -1.033) 5.497 19.797 ( 2.646 2.646 8.925) 9.677 22.615 ( 0.062 0.062 0.708) 0.713 22.636 ( -1.317 -1.317 1.364) 2.309 24.370 ( -0.466 -0.466 0.982) 1.183 24.377 ( -0.318 -0.318 -0.514) 0.682 ======================= Grid point 351 (105/126) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -0.646 -0.000 -14.919) 14.933 2.604 ( -21.658 -0.000 -17.476) 27.830 3.586 ( 1.495 -0.000 -7.011) 7.169 3.692 ( -14.154 -0.000 -3.591) 14.602 5.392 ( -3.875 -0.000 -38.902) 39.095 5.411 ( -6.889 -0.000 -52.151) 52.604 5.870 ( 14.447 0.000 9.679) 17.390 6.401 ( 2.246 -0.000 -11.561) 11.777 6.462 ( -4.198 -0.000 -8.928) 9.866 7.536 ( 6.177 0.000 22.904) 23.723 7.575 ( 2.165 0.000 -1.904) 2.883 7.941 ( 11.580 0.000 3.310) 12.044 8.119 ( -6.587 -0.000 9.768) 11.781 8.189 ( 2.321 0.000 5.211) 5.705 8.345 ( -10.322 -0.000 10.105) 14.445 8.447 ( -1.627 0.000 3.963) 4.284 8.495 ( -8.390 -0.000 2.215) 8.677 10.605 ( 7.788 0.000 5.228) 9.379 10.772 ( 0.957 -0.000 -7.068) 7.133 10.812 ( -3.303 -0.000 -2.840) 4.356 13.238 ( 4.644 0.000 -0.733) 4.701 13.270 ( -0.002 -0.000 -0.358) 0.358 13.653 ( 23.522 0.000 5.039) 24.055 13.844 ( 0.094 0.000 8.296) 8.296 14.959 ( -20.185 -0.000 -8.371) 21.851 15.462 ( -1.698 -0.000 -5.749) 5.994 16.357 ( 7.677 0.000 3.598) 8.478 16.545 ( 0.045 -0.000 -0.981) 0.982 16.574 ( -0.379 0.000 3.829) 3.848 16.846 ( -13.056 -0.000 1.204) 13.112 19.281 ( 5.596 0.000 -2.848) 6.278 19.973 ( 2.792 0.000 11.336) 11.675 22.611 ( 0.015 -0.000 -1.413) 1.413 22.627 ( -2.262 -0.000 -0.803) 2.400 24.368 ( -0.164 -0.000 -0.301) 0.343 24.386 ( -0.387 0.000 1.259) 1.317 ======================= Grid point 362 (106/126) ======================= q-point: (-0.18 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 0.000 -0.000 -28.580) 28.580 2.096 ( 0.000 -0.000 -28.580) 28.580 3.587 ( -0.000 0.000 4.712) 4.712 3.587 ( -0.000 0.000 4.712) 4.712 4.469 ( 0.000 -0.000 -62.116) 62.116 4.770 ( 0.000 -0.000 -37.194) 37.194 6.089 ( 0.000 -0.000 -1.437) 1.437 6.212 ( 0.000 -0.000 -14.049) 14.049 6.212 ( 0.000 -0.000 -14.049) 14.049 7.436 ( 0.000 -0.000 -5.654) 5.654 7.997 ( 0.000 -0.000 -7.898) 7.898 7.997 ( 0.000 -0.000 -7.898) 7.898 8.113 ( -0.000 0.000 31.153) 31.153 8.280 ( -0.000 0.000 1.026) 1.026 8.320 ( -0.000 0.000 9.324) 9.324 8.654 ( -0.000 0.000 16.368) 16.368 8.654 ( -0.000 0.000 16.368) 16.368 10.674 ( 0.000 -0.000 -6.152) 6.152 10.674 ( 0.000 -0.000 -6.152) 6.152 10.797 ( -0.000 0.000 7.083) 7.083 13.276 ( -0.000 0.000 1.211) 1.211 13.276 ( -0.000 0.000 1.211) 1.211 14.022 ( -0.000 0.000 14.095) 14.095 14.022 ( -0.000 0.000 14.095) 14.095 14.614 ( 0.000 -0.000 -9.709) 9.709 15.337 ( 0.000 -0.000 -8.598) 8.598 16.515 ( 0.000 -0.000 -2.904) 2.904 16.515 ( 0.000 -0.000 -2.904) 2.904 16.585 ( -0.000 0.000 10.260) 10.260 16.772 ( -0.000 0.000 0.454) 0.454 19.269 ( 0.000 -0.000 -4.577) 4.577 20.178 ( -0.000 0.000 12.451) 12.451 22.574 ( 0.000 -0.000 -3.231) 3.231 22.574 ( 0.000 -0.000 -3.231) 3.231 24.362 ( 0.000 -0.000 -0.150) 0.150 24.406 ( -0.000 0.000 1.454) 1.454 ======================= Grid point 419 (107/126) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 16.062 0.000 0.000) 16.062 2.829 ( 30.307 0.000 0.000) 30.307 4.347 ( 18.581 0.000 0.000) 18.581 4.604 ( -13.958 -0.000 -0.000) 13.958 4.965 ( 4.787 0.000 0.000) 4.787 5.511 ( -11.534 -0.000 -0.000) 11.534 5.527 ( 23.161 0.000 0.000) 23.161 5.897 ( 41.525 0.000 0.000) 41.525 6.004 ( 12.156 0.000 0.000) 12.156 6.492 ( -47.012 -0.000 -0.000) 47.012 7.948 ( 7.742 0.000 0.000) 7.742 8.069 ( -1.546 -0.000 -0.000) 1.546 8.534 ( 2.509 0.000 0.000) 2.509 8.705 ( 1.001 0.000 0.000) 1.001 8.799 ( 0.139 0.000 0.000) 0.139 8.846 ( -3.285 -0.000 -0.000) 3.285 8.926 ( -6.562 -0.000 -0.000) 6.562 9.396 ( -18.716 -0.000 -0.000) 18.716 10.918 ( 6.102 0.000 0.000) 6.102 11.264 ( 2.415 0.000 0.000) 2.415 13.280 ( 7.040 0.000 0.000) 7.040 13.339 ( 8.629 0.000 0.000) 8.629 13.411 ( 0.321 0.000 0.000) 0.321 14.500 ( -4.308 -0.000 -0.000) 4.308 15.207 ( 3.312 0.000 0.000) 3.312 15.488 ( -1.215 -0.000 -0.000) 1.215 15.981 ( 0.895 0.000 0.000) 0.895 16.299 ( -0.222 -0.000 -0.000) 0.222 16.518 ( 0.345 0.000 0.000) 0.345 17.238 ( -7.578 -0.000 -0.000) 7.578 19.040 ( 12.344 0.000 0.000) 12.344 20.103 ( -13.532 -0.000 -0.000) 13.532 22.410 ( 0.459 0.000 0.000) 0.459 22.560 ( -5.851 -0.000 -0.000) 5.851 24.336 ( 0.336 0.000 0.000) 0.336 24.509 ( -1.205 -0.000 -0.000) 1.205 ======================= Grid point 430 (108/126) ======================= q-point: (-0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 11.378 -42.697 -0.000) 44.187 3.231 ( 24.188 -3.997 0.000) 24.516 4.368 ( -11.043 7.556 -0.000) 13.380 4.575 ( 14.972 3.185 0.000) 15.307 4.873 ( -21.061 -0.025 -0.000) 21.061 5.189 ( -11.038 16.980 -0.000) 20.252 5.858 ( 6.295 -7.008 0.000) 9.420 5.953 ( -9.733 3.783 -0.000) 10.442 6.267 ( 12.504 -5.735 0.000) 13.757 6.409 ( 32.946 3.503 0.000) 33.132 8.035 ( 7.145 -0.336 0.000) 7.153 8.130 ( 0.229 -8.175 -0.000) 8.178 8.556 ( 2.196 -0.476 0.000) 2.247 8.650 ( -10.126 -0.739 -0.000) 10.153 8.710 ( -8.743 4.853 -0.000) 10.000 8.838 ( -1.888 -1.367 -0.000) 2.331 8.880 ( 0.315 -1.562 -0.000) 1.593 9.143 ( -15.209 2.673 -0.000) 15.442 11.014 ( 7.748 -0.202 0.000) 7.751 11.271 ( 1.744 3.316 0.000) 3.746 13.312 ( 1.989 0.390 0.000) 2.027 13.403 ( 0.377 1.880 0.000) 1.917 13.560 ( 18.017 -1.780 0.000) 18.104 14.370 ( -4.064 10.284 0.000) 11.057 15.268 ( 2.746 -2.713 0.000) 3.860 15.464 ( -2.561 -0.012 -0.000) 2.561 16.005 ( 2.696 0.073 0.000) 2.697 16.222 ( 0.113 7.787 0.000) 7.788 16.635 ( 0.135 -12.874 -0.000) 12.874 17.123 ( -9.637 -0.341 -0.000) 9.643 19.217 ( 10.596 -3.485 0.000) 11.155 19.894 ( -13.411 3.579 -0.000) 13.880 22.414 ( 0.620 0.298 0.000) 0.689 22.496 ( -3.817 0.054 -0.000) 3.817 24.352 ( 0.674 -1.347 -0.000) 1.506 24.481 ( -2.345 0.544 -0.000) 2.407 ======================= Grid point 431 (109/126) ======================= q-point: (-0.27 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 11.679 0.000 4.911) 12.670 3.348 ( 24.131 0.000 17.839) 30.009 4.433 ( -17.192 -0.000 1.086) 17.226 4.519 ( 17.286 0.000 -9.847) 19.893 4.918 ( -15.726 -0.000 5.426) 16.636 5.291 ( -19.745 -0.000 -2.864) 19.952 5.851 ( 17.790 0.000 7.522) 19.315 6.051 ( -11.485 -0.000 7.184) 13.547 6.252 ( 17.969 0.000 4.043) 18.419 6.459 ( 29.024 0.000 3.700) 29.259 7.950 ( 6.656 0.000 -11.800) 13.548 8.031 ( -0.727 -0.000 -4.100) 4.164 8.482 ( -4.520 -0.000 -7.774) 8.993 8.599 ( -9.327 -0.000 -5.182) 10.669 8.740 ( -9.838 -0.000 -3.751) 10.529 8.835 ( -0.837 -0.000 1.589) 1.796 8.861 ( -3.014 -0.000 2.825) 4.131 9.305 ( -7.660 -0.000 14.797) 16.663 10.995 ( 7.792 0.000 -2.192) 8.095 11.265 ( 1.945 0.000 -3.669) 4.153 13.276 ( 3.772 0.000 -4.864) 6.155 13.403 ( 0.350 -0.000 -1.591) 1.629 13.501 ( 16.186 0.000 -6.072) 17.287 14.389 ( -3.913 -0.000 -6.821) 7.864 15.263 ( 2.396 0.000 1.840) 3.021 15.457 ( -2.083 -0.000 -0.327) 2.109 16.029 ( 2.592 0.000 2.861) 3.861 16.320 ( -0.159 0.000 2.951) 2.955 16.532 ( 0.642 0.000 0.619) 0.892 17.176 ( -10.689 -0.000 6.834) 12.687 19.165 ( 10.682 0.000 -3.549) 11.256 19.890 ( -12.848 -0.000 -3.543) 13.328 22.433 ( 0.439 0.000 2.066) 2.112 22.512 ( -3.619 -0.000 2.063) 4.166 24.344 ( 0.555 0.000 0.168) 0.580 24.480 ( -2.265 -0.000 -0.537) 2.328 ======================= Grid point 441 (110/126) ======================= q-point: (-0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 6.942 -53.506 -0.000) 53.955 3.528 ( 3.761 -4.313 0.000) 5.722 4.112 ( -9.461 6.678 -0.000) 11.581 4.268 ( -42.791 1.630 -0.000) 42.822 4.777 ( 15.442 4.965 0.000) 16.221 4.933 ( 5.576 18.419 0.000) 19.244 5.892 ( 2.977 -1.072 0.000) 3.164 5.947 ( 0.058 1.797 0.000) 1.798 6.542 ( 19.324 1.897 0.000) 19.416 6.647 ( 16.805 12.581 0.000) 20.992 8.184 ( 8.000 -6.010 0.000) 10.006 8.258 ( -0.372 -8.825 -0.000) 8.833 8.489 ( -10.934 4.594 -0.000) 11.860 8.493 ( -12.539 -0.962 -0.000) 12.576 8.640 ( 3.187 -6.079 -0.000) 6.864 8.784 ( -8.019 1.309 -0.000) 8.125 8.915 ( 0.483 -1.988 -0.000) 2.046 8.963 ( -4.887 1.932 -0.000) 5.255 11.125 ( 8.130 0.047 0.000) 8.130 11.221 ( 0.802 6.487 0.000) 6.536 13.339 ( 2.828 0.414 0.000) 2.858 13.374 ( 0.361 2.901 0.000) 2.923 13.845 ( 18.830 -2.959 0.000) 19.062 14.132 ( -3.651 16.439 0.000) 16.840 15.346 ( 2.049 -3.653 0.000) 4.189 15.416 ( -3.489 1.033 -0.000) 3.638 16.053 ( 4.589 0.079 0.000) 4.590 16.126 ( 0.138 6.461 0.000) 6.463 16.818 ( -0.467 -13.775 -0.000) 13.782 16.985 ( -11.973 -0.692 -0.000) 11.993 19.423 ( 8.745 -7.626 0.000) 11.603 19.656 ( -11.328 6.504 -0.000) 13.063 22.425 ( 0.806 -0.598 0.000) 1.004 22.452 ( -2.065 0.576 -0.000) 2.144 24.388 ( 0.876 -2.392 -0.000) 2.548 24.436 ( -2.765 0.840 -0.000) 2.890 ======================= Grid point 442 (111/126) ======================= q-point: (-0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 7.994 -39.406 2.049) 40.261 3.606 ( 4.097 -2.351 14.894) 15.626 4.087 ( -26.940 3.431 -5.693) 27.748 4.545 ( -22.456 3.793 22.299) 31.873 4.718 ( 11.905 3.858 -11.194) 16.790 5.110 ( -0.667 4.947 -7.661) 9.143 5.893 ( 8.013 9.356 7.342) 14.340 6.127 ( 4.413 -4.475 16.099) 17.282 6.539 ( 23.220 1.040 -1.210) 23.274 6.786 ( 21.715 6.508 -0.520) 22.675 8.038 ( 4.851 -3.877 -9.472) 11.326 8.093 ( -0.139 -7.920 -6.270) 10.102 8.404 ( -6.292 -0.343 -12.050) 13.598 8.454 ( -12.784 -0.306 -5.263) 13.829 8.562 ( -13.557 0.684 -4.008) 14.154 8.788 ( -2.103 0.860 0.832) 2.419 8.842 ( -4.466 -2.276 1.536) 5.243 9.248 ( 0.283 1.639 20.930) 20.996 11.105 ( 8.305 0.169 -2.590) 8.701 11.264 ( 1.382 3.559 -3.552) 5.214 13.320 ( 3.293 0.208 -2.981) 4.447 13.394 ( 0.336 2.003 -1.703) 2.650 13.753 ( 18.821 -1.281 -7.803) 20.415 14.266 ( -3.284 10.382 -6.686) 12.778 15.308 ( 1.200 -2.658 0.816) 3.028 15.426 ( -2.359 0.247 0.428) 2.410 16.075 ( 4.342 -0.016 2.685) 5.105 16.245 ( 0.041 7.637 2.627) 8.076 16.651 ( 0.014 -13.059 1.637) 13.161 17.019 ( -12.976 -0.368 5.100) 13.947 19.314 ( 8.164 -3.271 -3.735) 9.555 19.706 ( -10.585 3.333 -2.116) 11.297 22.438 ( 0.478 0.043 2.034) 2.090 22.475 ( -2.014 0.011 2.280) 3.043 24.362 ( 0.674 -1.366 -0.035) 1.524 24.443 ( -2.682 0.446 -0.292) 2.734 ======================= Grid point 443 (112/126) ======================= q-point: (-0.27 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 6.833 0.000 6.845) 9.672 3.842 ( -24.903 -0.000 11.744) 27.533 4.112 ( -2.093 0.000 10.208) 10.420 4.517 ( 13.195 0.000 -16.713) 21.294 4.885 ( -3.638 -0.000 -6.825) 7.734 5.043 ( -18.289 -0.000 23.666) 29.909 6.248 ( 17.436 0.000 12.446) 21.422 6.282 ( 10.141 0.000 17.855) 20.534 6.556 ( 17.906 0.000 2.696) 18.108 6.811 ( 18.148 0.000 -0.166) 18.149 7.776 ( 4.491 -0.000 -21.721) 22.181 7.872 ( -4.883 -0.000 -13.746) 14.588 8.232 ( -10.331 -0.000 -7.791) 12.939 8.380 ( -8.600 -0.000 -4.977) 9.936 8.504 ( -13.872 -0.000 -3.526) 14.313 8.829 ( -2.994 -0.000 0.188) 3.000 8.847 ( -6.665 -0.000 3.014) 7.315 9.577 ( 3.934 0.000 19.800) 20.187 11.053 ( 7.667 0.000 -4.285) 8.783 11.208 ( 1.483 -0.000 -6.562) 6.728 13.258 ( 5.069 0.000 -5.138) 7.218 13.375 ( 0.342 -0.000 -2.603) 2.626 13.583 ( 18.461 0.000 -12.852) 22.494 14.202 ( -2.983 -0.000 -10.781) 11.186 15.307 ( -0.858 0.000 1.955) 2.135 15.449 ( -1.288 -0.000 2.591) 2.894 16.127 ( 3.952 0.000 3.720) 5.427 16.378 ( -0.073 0.000 4.540) 4.541 16.543 ( 0.529 0.000 -0.590) 0.793 17.115 ( -15.537 -0.000 7.196) 17.123 19.232 ( 8.295 0.000 -4.090) 9.248 19.688 ( -8.083 -0.000 -2.867) 8.577 22.481 ( 0.345 0.000 3.387) 3.405 22.520 ( -1.945 -0.000 3.583) 4.077 24.353 ( 0.370 0.000 0.072) 0.377 24.439 ( -2.380 -0.000 -0.585) 2.451 ======================= Grid point 452 (113/126) ======================= q-point: ( 0.55 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -20.666 -20.666 -2.291) 29.315 3.222 ( -26.733 -26.733 2.246) 37.873 3.977 ( 2.834 2.834 7.554) 8.551 4.337 ( -2.365 -2.365 27.287) 27.491 4.775 ( 10.158 10.158 -15.915) 21.440 5.080 ( 3.656 3.656 -3.030) 5.993 5.891 ( 8.843 8.843 5.494) 13.659 6.181 ( 2.205 2.205 17.489) 17.765 6.738 ( 14.770 14.770 -5.782) 21.674 6.856 ( 11.475 11.475 2.058) 16.358 8.141 ( -5.512 -5.512 -9.732) 12.469 8.223 ( -3.610 -3.610 -4.035) 6.508 8.264 ( -1.206 -1.206 -14.037) 14.141 8.353 ( -7.071 -7.071 1.038) 10.054 8.452 ( -7.172 -7.172 -12.551) 16.136 8.770 ( -1.554 -1.554 3.412) 4.058 8.819 ( -2.834 -2.834 -0.343) 4.022 9.243 ( 2.206 2.206 22.518) 22.733 11.196 ( 4.051 4.051 -3.745) 6.844 11.216 ( 3.398 3.398 -2.531) 5.431 13.357 ( 1.836 1.836 -2.389) 3.529 13.366 ( 1.592 1.592 -1.892) 2.941 13.987 ( 8.135 8.135 -10.076) 15.293 14.075 ( 6.254 6.254 -4.734) 10.031 15.346 ( -2.165 -2.165 -0.927) 3.199 15.397 ( -0.210 -0.210 2.112) 2.132 16.139 ( 3.203 3.203 1.953) 4.933 16.158 ( 3.045 3.045 3.213) 5.372 16.832 ( -7.799 -7.799 2.442) 11.296 16.844 ( -7.055 -7.055 4.019) 10.756 19.438 ( -0.496 -0.496 -6.622) 6.659 19.563 ( -0.698 -0.698 1.170) 1.531 22.444 ( -0.015 -0.015 1.785) 1.786 22.458 ( -0.400 -0.400 2.603) 2.664 24.390 ( -0.984 -0.984 -0.620) 1.523 24.407 ( -0.710 -0.710 0.308) 1.050 ======================= Grid point 454 (114/126) ======================= q-point: (-0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 4.457 -35.853 3.801) 36.328 3.213 ( -50.979 2.107 0.683) 51.027 4.240 ( 8.607 0.430 22.031) 23.657 4.622 ( 9.268 6.859 -17.904) 21.295 4.855 ( -3.704 1.109 32.113) 32.345 4.891 ( -3.315 -2.635 -11.796) 12.533 6.284 ( 14.303 13.709 19.947) 28.115 6.487 ( 7.708 0.274 18.695) 20.223 6.786 ( 19.230 6.437 -5.339) 20.970 6.974 ( 10.850 5.946 -3.083) 12.750 7.829 ( -4.334 -5.584 -19.787) 21.012 7.870 ( -0.999 -5.639 -24.264) 24.931 8.107 ( -9.442 -2.873 -5.809) 11.452 8.282 ( -5.913 -1.805 -1.494) 6.360 8.333 ( -12.154 -2.383 -0.556) 12.398 8.776 ( -3.085 -1.614 0.748) 3.561 8.796 ( -5.133 -2.225 0.611) 5.627 9.619 ( 4.131 2.385 21.325) 21.852 11.145 ( 6.169 0.697 -5.408) 8.233 11.204 ( 1.028 3.054 -6.187) 6.976 13.318 ( 4.063 0.187 -3.673) 5.480 13.362 ( 0.258 2.404 -2.842) 3.732 13.838 ( 17.791 0.250 -12.789) 21.912 14.093 ( -1.894 10.092 -10.636) 14.784 15.302 ( -3.160 -3.162 0.618) 4.513 15.438 ( -0.342 0.053 2.893) 2.914 16.192 ( 5.760 0.184 3.139) 6.562 16.296 ( 0.133 7.574 3.778) 8.465 16.673 ( -0.646 -14.371 1.084) 14.426 16.901 ( -15.838 -0.290 4.891) 16.579 19.326 ( 3.773 -0.970 -4.826) 6.203 19.590 ( -3.184 1.939 0.176) 3.732 22.485 ( 0.218 0.056 3.340) 3.347 22.503 ( -0.948 -0.303 3.645) 3.778 24.364 ( -0.102 -1.158 -0.293) 1.199 24.408 ( -1.657 0.165 -0.181) 1.675 ======================= Grid point 455 (115/126) ======================= q-point: (-0.27 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 3.046 0.000 7.049) 7.679 3.246 ( -48.680 -0.000 1.599) 48.706 4.375 ( 8.102 -0.000 -20.354) 21.907 4.488 ( 2.484 -0.000 -9.080) 9.414 4.718 ( 3.466 0.000 17.424) 17.766 5.490 ( -0.360 0.000 41.226) 41.228 6.635 ( 19.307 0.000 1.204) 19.344 6.723 ( 13.887 0.000 11.156) 17.813 6.795 ( 13.119 0.000 -0.172) 13.120 6.973 ( 6.479 0.000 4.914) 8.132 7.418 ( -4.542 -0.000 -19.547) 20.068 7.470 ( -9.852 -0.000 -23.719) 25.684 8.050 ( -7.653 -0.000 0.001) 7.653 8.232 ( -3.460 -0.000 -5.248) 6.286 8.294 ( -11.131 -0.000 -0.857) 11.164 8.752 ( -4.593 -0.000 -3.341) 5.680 8.771 ( -7.190 -0.000 -0.737) 7.228 9.941 ( 5.395 0.000 18.209) 18.992 11.059 ( 4.943 0.000 -6.318) 8.022 11.113 ( 1.068 -0.000 -7.744) 7.817 13.260 ( 5.363 0.000 -3.777) 6.559 13.337 ( 0.247 -0.000 -2.656) 2.667 13.634 ( 19.952 0.000 -13.620) 24.158 13.999 ( -1.779 -0.000 -10.957) 11.101 15.295 ( -5.487 -0.000 1.782) 5.769 15.485 ( -0.768 0.000 3.268) 3.357 16.234 ( 4.926 0.000 1.812) 5.248 16.449 ( -0.003 0.000 4.497) 4.497 16.523 ( -0.173 -0.000 -2.095) 2.102 16.969 ( -17.843 -0.000 3.974) 18.281 19.269 ( 4.826 0.000 -2.314) 5.353 19.619 ( -0.972 -0.000 1.934) 2.165 22.540 ( 0.211 0.000 3.562) 3.568 22.558 ( -1.169 0.000 3.815) 3.990 24.354 ( -0.227 -0.000 0.083) 0.242 24.404 ( -1.494 -0.000 -0.465) 1.565 ======================= Grid point 465 (116/126) ======================= q-point: (-0.36 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -14.944 -14.944 4.957) 21.708 2.668 ( -16.801 -16.801 4.432) 24.171 4.418 ( 4.915 4.915 -20.719) 21.854 4.511 ( -1.025 -1.025 -17.434) 17.494 4.756 ( 1.199 1.199 24.977) 25.035 5.487 ( 2.318 2.318 43.894) 44.016 6.781 ( 12.757 12.757 13.549) 22.562 6.801 ( 9.532 9.532 -1.797) 13.599 6.898 ( 9.350 9.350 -2.355) 13.431 7.025 ( 2.844 2.844 2.911) 4.965 7.360 ( -5.945 -5.945 -27.897) 29.136 7.441 ( -9.493 -9.493 -16.638) 21.379 7.979 ( -3.928 -3.928 -0.097) 5.556 8.201 ( -4.334 -4.334 1.151) 6.236 8.219 ( -2.954 -2.954 -4.032) 5.806 8.715 ( -2.869 -2.869 -3.290) 5.224 8.722 ( -3.700 -3.700 -2.331) 5.728 9.978 ( 3.022 3.022 18.666) 19.149 11.102 ( 1.950 1.950 -7.311) 7.814 11.112 ( 1.205 1.205 -7.423) 7.616 13.315 ( 1.840 1.840 -2.997) 3.969 13.321 ( 1.410 1.410 -2.906) 3.524 13.838 ( 8.944 8.944 -12.590) 17.847 13.923 ( 3.650 3.650 -10.773) 11.946 15.255 ( -5.054 -5.054 0.494) 7.164 15.480 ( -0.383 -0.383 2.977) 3.026 16.292 ( 3.565 3.565 -0.105) 5.043 16.376 ( 3.792 3.792 4.088) 6.743 16.618 ( -8.486 -8.486 -0.690) 12.020 16.798 ( -6.871 -6.871 3.833) 10.445 19.303 ( 1.531 1.531 -2.001) 2.948 19.610 ( 0.927 0.927 3.351) 3.599 22.541 ( 0.105 0.105 3.542) 3.545 22.551 ( -0.580 -0.580 3.715) 3.805 24.354 ( -0.661 -0.661 0.008) 0.935 24.392 ( -0.333 -0.333 -0.348) 0.586 ======================= Grid point 466 (117/126) ======================= q-point: (-0.27 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 0.808 0.000 5.443) 5.503 2.735 ( -30.813 -0.000 3.793) 31.046 4.121 ( 3.311 -0.000 -22.355) 22.599 4.164 ( -3.041 -0.000 -21.774) 21.985 5.213 ( 5.509 0.000 28.647) 29.172 6.182 ( 6.838 0.000 39.850) 40.433 6.603 ( 3.460 -0.000 -37.674) 37.832 6.738 ( 8.624 0.000 -11.053) 14.019 6.750 ( 0.923 -0.000 -17.173) 17.198 6.893 ( -8.840 -0.000 -22.955) 24.599 7.395 ( 7.875 0.000 23.616) 24.894 7.439 ( 1.698 0.000 22.293) 22.358 8.004 ( -5.781 -0.000 5.291) 7.837 8.080 ( -2.774 -0.000 -10.052) 10.428 8.201 ( -2.911 -0.000 1.339) 3.204 8.613 ( -3.723 -0.000 -6.973) 7.904 8.630 ( -6.242 -0.000 -5.609) 8.392 10.261 ( 3.583 0.000 15.348) 15.761 10.996 ( 1.803 -0.000 -7.460) 7.674 11.005 ( 0.453 -0.000 -7.627) 7.640 13.280 ( 3.660 0.000 -2.021) 4.181 13.305 ( 0.111 -0.000 -1.852) 1.855 13.712 ( 16.475 0.000 -8.652) 18.609 13.838 ( -0.662 -0.000 -7.215) 7.246 15.189 ( -8.831 -0.000 -3.695) 9.573 15.515 ( -0.856 -0.000 1.731) 1.931 16.292 ( 3.344 0.000 -1.454) 3.647 16.508 ( 0.369 0.000 1.306) 1.357 16.509 ( 0.021 0.000 3.214) 3.214 16.803 ( -11.944 -0.000 1.979) 12.107 19.304 ( 2.809 0.000 0.089) 2.810 19.695 ( 1.545 0.000 6.425) 6.608 22.590 ( 0.083 0.000 2.563) 2.564 22.596 ( -0.847 0.000 2.718) 2.847 24.353 ( -0.446 -0.000 0.585) 0.735 24.384 ( -0.475 -0.000 -0.528) 0.710 ======================= Grid point 477 (118/126) ======================= q-point: (-0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 0.000 -0.000 -0.741) 0.741 2.557 ( 0.000 -0.000 -0.741) 0.741 3.811 ( 0.000 -0.000 -19.431) 19.431 3.811 ( 0.000 -0.000 -19.431) 19.431 5.677 ( -0.000 0.000 24.962) 24.962 5.993 ( 0.000 -0.000 -41.396) 41.396 6.125 ( 0.000 -0.000 -45.001) 45.001 6.607 ( 0.000 -0.000 -12.299) 12.299 6.607 ( 0.000 -0.000 -12.299) 12.299 6.957 ( -0.000 0.000 42.913) 42.913 7.836 ( -0.000 0.000 22.387) 22.387 7.836 ( -0.000 0.000 22.387) 22.387 7.843 ( 0.000 -0.000 -15.984) 15.984 8.053 ( -0.000 0.000 7.372) 7.372 8.228 ( -0.000 0.000 2.444) 2.444 8.465 ( 0.000 -0.000 -7.548) 7.548 8.465 ( 0.000 -0.000 -7.548) 7.548 10.501 ( -0.000 0.000 12.480) 12.480 10.892 ( 0.000 -0.000 -7.518) 7.518 10.892 ( 0.000 -0.000 -7.518) 7.518 13.283 ( 0.000 -0.000 -1.181) 1.181 13.283 ( 0.000 -0.000 -1.181) 1.181 13.777 ( -0.000 0.000 0.172) 0.172 13.777 ( -0.000 0.000 0.172) 0.172 14.982 ( 0.000 -0.000 -11.585) 11.585 15.510 ( 0.000 -0.000 -1.723) 1.723 16.330 ( -0.000 0.000 4.219) 4.219 16.544 ( -0.000 0.000 1.218) 1.218 16.544 ( -0.000 0.000 1.218) 1.218 16.738 ( -0.000 0.000 1.203) 1.203 19.331 ( -0.000 0.000 0.183) 0.183 19.832 ( -0.000 0.000 9.447) 9.447 22.616 ( -0.000 0.000 0.716) 0.716 22.616 ( -0.000 0.000 0.716) 0.716 24.364 ( -0.000 0.000 1.143) 1.143 24.373 ( 0.000 -0.000 -0.510) 0.510 ======================= Grid point 558 (119/126) ======================= q-point: (-0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 8.974 0.000 0.000) 8.974 3.465 ( 10.496 0.000 0.000) 10.496 4.251 ( -20.879 -0.000 -0.000) 20.879 4.296 ( -39.102 -0.000 -0.000) 39.102 4.846 ( 17.341 0.000 0.000) 17.341 5.260 ( -1.166 -0.000 -0.000) 1.166 5.884 ( 1.371 0.000 0.000) 1.371 5.925 ( 7.726 0.000 0.000) 7.726 6.548 ( 26.038 0.000 0.000) 26.038 6.850 ( 26.427 0.000 0.000) 26.427 8.062 ( 0.168 0.000 0.000) 0.168 8.092 ( 0.399 0.000 0.000) 0.399 8.475 ( -14.136 -0.000 -0.000) 14.136 8.515 ( -8.442 -0.000 -0.000) 8.442 8.640 ( -5.129 -0.000 -0.000) 5.129 8.799 ( -2.356 -0.000 -0.000) 2.356 8.875 ( 0.499 0.000 0.000) 0.499 8.996 ( -8.558 -0.000 -0.000) 8.558 11.126 ( 8.707 0.000 0.000) 8.707 11.318 ( 1.626 0.000 0.000) 1.626 13.345 ( 2.625 0.000 0.000) 2.625 13.420 ( 0.296 0.000 0.000) 0.296 13.804 ( 19.243 0.000 0.000) 19.243 14.392 ( -3.424 -0.000 -0.000) 3.424 15.282 ( 2.223 0.000 0.000) 2.223 15.428 ( -2.961 -0.000 -0.000) 2.961 16.053 ( 4.501 0.000 0.000) 4.501 16.294 ( -0.119 -0.000 -0.000) 0.119 16.531 ( 0.225 0.000 0.000) 0.225 16.974 ( -11.996 -0.000 -0.000) 11.996 19.318 ( 8.013 0.000 0.000) 8.013 19.745 ( -11.868 -0.000 -0.000) 11.868 22.422 ( 0.412 0.000 0.000) 0.412 22.457 ( -1.990 -0.000 -0.000) 1.990 24.352 ( 0.784 0.000 0.000) 0.784 24.448 ( -2.853 -0.000 -0.000) 2.853 ======================= Grid point 570 (120/126) ======================= q-point: (-0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 5.317 -40.462 -0.000) 40.810 3.200 ( -48.711 1.978 -0.000) 48.751 3.957 ( 2.331 -3.075 0.000) 3.858 4.107 ( -7.010 5.649 -0.000) 9.003 5.043 ( 14.326 2.206 0.000) 14.495 5.183 ( 1.597 10.284 0.000) 10.407 5.948 ( 6.408 0.233 0.000) 6.412 5.995 ( 3.042 2.323 0.000) 3.828 6.884 ( 24.447 3.031 0.000) 24.634 7.047 ( 14.417 13.955 0.000) 20.065 8.122 ( -0.040 -8.277 -0.000) 8.277 8.128 ( -1.723 -9.496 -0.000) 9.652 8.285 ( -14.082 -0.942 -0.000) 14.114 8.325 ( -16.561 0.136 -0.000) 16.562 8.645 ( 3.283 -1.692 0.000) 3.693 8.735 ( -4.036 2.972 -0.000) 5.013 8.893 ( 0.156 -1.644 -0.000) 1.651 8.922 ( -2.936 0.012 -0.000) 2.936 11.237 ( 7.496 0.333 0.000) 7.503 11.308 ( 1.008 4.163 0.000) 4.284 13.382 ( 2.747 0.159 0.000) 2.751 13.411 ( 0.237 1.816 0.000) 1.831 14.062 ( 16.919 -1.370 0.000) 16.974 14.278 ( -2.490 10.424 0.000) 10.717 15.326 ( 1.500 -2.524 0.000) 2.936 15.381 ( -3.254 0.620 -0.000) 3.313 16.127 ( 6.372 -0.028 0.000) 6.372 16.223 ( -0.026 7.491 0.000) 7.491 16.633 ( -0.358 -12.071 -0.000) 12.076 16.804 ( -13.374 -0.416 -0.000) 13.380 19.438 ( 5.585 -4.247 0.000) 7.016 19.584 ( -8.575 3.043 -0.000) 9.099 22.428 ( 0.380 -0.142 0.000) 0.406 22.438 ( -0.822 0.188 -0.000) 0.843 24.373 ( 0.723 -1.445 -0.000) 1.616 24.408 ( -2.510 0.450 -0.000) 2.550 ======================= Grid point 571 (121/126) ======================= q-point: (-0.36 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 5.340 0.000 2.905) 6.079 3.220 ( -50.486 -0.000 0.583) 50.489 3.983 ( 6.407 0.000 9.591) 11.534 4.379 ( -7.600 0.000 26.016) 27.103 4.935 ( 12.169 0.000 -14.183) 18.688 5.118 ( -0.860 -0.000 -15.139) 15.163 6.112 ( 8.174 0.000 17.954) 19.727 6.150 ( 7.069 0.000 16.232) 17.704 6.882 ( 24.833 0.000 -2.713) 24.980 7.113 ( 16.883 0.000 -4.615) 17.502 7.988 ( -3.655 -0.000 -9.216) 9.914 8.034 ( -3.252 -0.000 -3.122) 4.508 8.289 ( -10.051 -0.000 0.583) 10.068 8.295 ( -11.781 -0.000 -7.380) 13.902 8.399 ( -7.105 -0.000 -20.528) 21.723 8.754 ( -3.377 -0.000 -0.109) 3.379 8.767 ( -3.740 -0.000 0.997) 3.870 9.281 ( 2.256 0.000 24.534) 24.637 11.215 ( 7.255 0.000 -3.075) 7.880 11.307 ( 1.126 -0.000 -3.828) 3.990 13.366 ( 3.093 0.000 -2.174) 3.781 13.412 ( 0.236 -0.000 -1.537) 1.555 13.994 ( 17.288 0.000 -7.460) 18.829 14.301 ( -2.403 -0.000 -6.437) 6.871 15.291 ( -0.762 -0.000 -1.511) 1.692 15.402 ( -1.282 -0.000 1.877) 2.273 16.147 ( 6.268 0.000 2.436) 6.725 16.317 ( -0.063 0.000 2.991) 2.992 16.539 ( -0.203 0.000 0.844) 0.868 16.830 ( -14.168 -0.000 3.610) 14.621 19.380 ( 4.780 0.000 -3.499) 5.924 19.605 ( -7.131 -0.000 -0.030) 7.131 22.443 ( 0.299 0.000 2.006) 2.029 22.456 ( -0.858 0.000 2.130) 2.296 24.360 ( 0.451 0.000 -0.283) 0.533 24.411 ( -2.264 -0.000 -0.030) 2.264 ======================= Grid point 581 (122/126) ======================= q-point: ( 0.55 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -17.238 -17.238 0.891) 24.395 2.572 ( -19.235 -19.235 1.920) 27.270 4.048 ( 2.035 2.035 10.119) 10.521 4.320 ( 0.303 0.303 27.209) 27.212 5.015 ( 6.722 6.722 -16.965) 19.447 5.115 ( -0.097 -0.097 -13.571) 13.572 6.139 ( 7.991 7.991 16.515) 20.012 6.233 ( 1.580 1.580 19.481) 19.608 7.133 ( 13.385 13.385 -5.951) 19.843 7.169 ( 10.934 10.934 -3.390) 15.830 7.967 ( -5.705 -5.705 -12.197) 14.624 8.047 ( -8.383 -8.383 -3.587) 12.386 8.141 ( -8.077 -8.077 1.917) 11.582 8.211 ( -3.311 -3.311 4.226) 6.307 8.372 ( 0.816 0.816 -30.907) 30.928 8.725 ( -1.503 -1.503 1.454) 2.575 8.743 ( -2.571 -2.571 -0.638) 3.692 9.297 ( 1.578 1.578 25.622) 25.719 11.288 ( 2.522 2.522 -3.792) 5.206 11.293 ( 2.128 2.128 -3.467) 4.591 13.399 ( 1.143 1.143 -1.765) 2.393 13.401 ( 0.971 0.971 -1.616) 2.120 14.183 ( 5.791 5.791 -7.699) 11.240 14.215 ( 3.770 3.770 -5.780) 7.864 15.287 ( -1.948 -1.948 -3.109) 4.154 15.393 ( -0.102 -0.102 2.988) 2.991 16.237 ( 3.970 3.970 1.995) 5.958 16.250 ( 3.591 3.591 3.031) 5.914 16.629 ( -6.888 -6.888 0.502) 9.753 16.662 ( -6.033 -6.033 3.601) 9.261 19.425 ( -0.406 -0.406 -5.028) 5.061 19.542 ( -0.699 -0.699 2.316) 2.518 22.446 ( 0.105 0.105 1.913) 1.919 22.450 ( -0.191 -0.191 2.163) 2.180 24.368 ( -0.605 -0.605 -0.797) 1.170 24.391 ( -0.437 -0.437 0.493) 0.790 ======================= Grid point 583 (123/126) ======================= q-point: (-0.36 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 2.120 0.000 4.705) 5.160 2.609 ( -36.459 -0.000 3.030) 36.584 4.331 ( 3.726 0.000 23.602) 23.894 4.781 ( 5.412 -0.000 -20.102) 20.818 4.825 ( -0.892 -0.000 -13.316) 13.345 4.849 ( -0.576 0.000 33.174) 33.179 6.559 ( 7.373 0.000 24.515) 25.599 6.563 ( 6.759 0.000 23.699) 24.644 7.087 ( 16.327 0.000 -8.639) 18.472 7.160 ( 7.344 0.000 -10.147) 12.525 7.684 ( -6.779 -0.000 -18.900) 20.079 7.842 ( -1.038 -0.000 -33.883) 33.899 7.943 ( -8.297 -0.000 -1.651) 8.460 8.139 ( -9.384 -0.000 1.835) 9.561 8.232 ( -2.270 -0.000 0.476) 2.319 8.720 ( -2.389 -0.000 -0.305) 2.408 8.725 ( -3.035 -0.000 -0.514) 3.079 9.681 ( 2.457 0.000 22.536) 22.669 11.217 ( 3.509 0.000 -6.235) 7.155 11.237 ( 0.578 -0.000 -6.620) 6.645 13.365 ( 2.499 0.000 -2.872) 3.807 13.382 ( 0.133 -0.000 -2.589) 2.592 14.050 ( 12.103 0.000 -10.947) 16.320 14.145 ( -1.139 -0.000 -10.234) 10.297 15.230 ( -3.373 -0.000 -1.633) 3.747 15.436 ( -0.053 0.000 2.653) 2.653 16.288 ( 7.996 0.000 2.926) 8.514 16.377 ( -0.015 0.000 4.595) 4.595 16.528 ( -2.817 -0.000 -1.294) 3.100 16.703 ( -11.701 -0.000 4.128) 12.407 19.352 ( 1.012 -0.000 -3.686) 3.823 19.574 ( -0.800 0.000 2.197) 2.338 22.488 ( 0.143 0.000 3.309) 3.312 22.492 ( -0.393 0.000 3.374) 3.397 24.352 ( -0.437 -0.000 -0.480) 0.649 24.393 ( -0.605 -0.000 0.040) 0.607 ======================= Grid point 594 (124/126) ======================= q-point: (-0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -0.000 0.000 5.840) 5.840 2.425 ( -0.000 0.000 5.840) 5.840 4.490 ( 0.000 -0.000 -22.141) 22.141 4.490 ( 0.000 -0.000 -22.141) 22.141 4.780 ( -0.000 0.000 30.245) 30.245 5.520 ( -0.000 0.000 46.296) 46.296 6.958 ( -0.000 0.000 3.897) 3.897 6.958 ( -0.000 0.000 3.897) 3.897 7.082 ( -0.000 0.000 10.122) 10.122 7.082 ( -0.000 0.000 10.122) 10.122 7.245 ( 0.000 -0.000 -39.463) 39.463 7.271 ( 0.000 -0.000 -27.748) 27.748 7.898 ( -0.000 0.000 2.542) 2.542 8.131 ( -0.000 0.000 3.756) 3.756 8.189 ( 0.000 -0.000 -5.109) 5.109 8.671 ( 0.000 -0.000 -3.749) 3.749 8.671 ( 0.000 -0.000 -3.749) 3.749 10.020 ( -0.000 0.000 19.126) 19.126 11.128 ( 0.000 -0.000 -7.782) 7.782 11.128 ( 0.000 -0.000 -7.782) 7.782 13.341 ( 0.000 -0.000 -2.673) 2.673 13.341 ( 0.000 -0.000 -2.673) 2.673 13.974 ( 0.000 -0.000 -10.542) 10.542 13.974 ( 0.000 -0.000 -10.542) 10.542 15.174 ( 0.000 -0.000 -1.960) 1.960 15.475 ( -0.000 0.000 2.563) 2.563 16.393 ( 0.000 -0.000 -5.905) 5.905 16.449 ( -0.000 0.000 4.530) 4.530 16.449 ( -0.000 0.000 4.530) 4.530 16.683 ( -0.000 0.000 3.108) 3.108 19.324 ( 0.000 -0.000 -0.998) 0.998 19.622 ( -0.000 0.000 4.260) 4.260 22.543 ( -0.000 0.000 3.509) 3.509 22.543 ( -0.000 0.000 3.509) 3.509 24.345 ( -0.000 0.000 0.037) 0.037 24.388 ( 0.000 -0.000 -0.325) 0.325 ======================= Grid point 699 (125/126) ======================= q-point: (-0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 2.743 0.000 0.000) 2.743 2.566 ( -39.897 -0.000 -0.000) 39.897 4.013 ( 5.611 0.000 0.000) 5.611 4.077 ( -3.465 -0.000 -0.000) 3.465 5.205 ( 7.615 0.000 0.000) 7.615 5.257 ( 0.023 0.000 0.000) 0.023 6.043 ( 5.680 0.000 0.000) 5.680 6.064 ( 2.927 0.000 0.000) 2.927 7.232 ( 21.459 0.000 0.000) 21.459 7.340 ( 9.879 0.000 0.000) 9.879 7.974 ( -5.205 -0.000 -0.000) 5.205 8.055 ( -0.567 -0.000 -0.000) 0.567 8.084 ( -17.199 -0.000 -0.000) 17.199 8.118 ( -9.310 -0.000 -0.000) 9.310 8.676 ( 2.899 0.000 0.000) 2.899 8.715 ( -2.498 -0.000 -0.000) 2.498 8.882 ( 0.098 0.000 0.000) 0.098 8.893 ( -1.365 -0.000 -0.000) 1.365 11.323 ( 4.436 0.000 0.000) 4.436 11.349 ( 0.595 0.000 0.000) 0.595 13.414 ( 1.785 0.000 0.000) 1.785 13.426 ( 0.122 0.000 0.000) 0.122 14.243 ( 10.465 0.000 0.000) 10.465 14.326 ( -1.304 -0.000 -0.000) 1.304 15.324 ( 0.812 0.000 0.000) 0.812 15.347 ( -2.346 -0.000 -0.000) 2.346 16.223 ( 7.468 0.000 0.000) 7.468 16.292 ( -0.032 -0.000 -0.000) 0.032 16.527 ( -0.313 -0.000 -0.000) 0.313 16.625 ( -11.915 -0.000 -0.000) 11.915 19.465 ( 2.736 0.000 0.000) 2.736 19.514 ( -4.567 -0.000 -0.000) 4.567 22.431 ( 0.169 0.000 0.000) 0.169 22.433 ( -0.211 -0.000 -0.000) 0.211 24.370 ( 0.417 0.000 0.000) 0.417 24.383 ( -1.478 -0.000 -0.000) 1.478 ======================= Grid point 711 (126/126) ======================= q-point: ( 0.55 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -0.000 0.000 2.318) 2.318 2.292 ( -0.000 0.000 2.318) 2.318 4.077 ( -0.000 0.000 10.773) 10.773 4.327 ( -0.000 0.000 26.943) 26.943 5.109 ( 0.000 -0.000 -16.437) 16.437 5.109 ( 0.000 -0.000 -16.437) 16.437 6.257 ( -0.000 0.000 19.531) 19.531 6.257 ( -0.000 0.000 19.531) 19.531 7.355 ( 0.000 -0.000 -6.817) 6.817 7.355 ( 0.000 -0.000 -6.817) 6.817 7.881 ( 0.000 -0.000 -13.296) 13.296 7.894 ( 0.000 -0.000 -1.980) 1.980 7.990 ( -0.000 0.000 3.429) 3.429 8.164 ( -0.000 0.000 5.642) 5.642 8.393 ( 0.000 -0.000 -33.308) 33.308 8.703 ( -0.000 0.000 0.487) 0.487 8.703 ( -0.000 0.000 0.487) 0.487 9.320 ( -0.000 0.000 26.630) 26.630 11.323 ( 0.000 -0.000 -3.855) 3.855 11.323 ( 0.000 -0.000 -3.855) 3.855 13.415 ( 0.000 -0.000 -1.522) 1.522 13.415 ( 0.000 -0.000 -1.522) 1.522 14.267 ( 0.000 -0.000 -6.293) 6.293 14.267 ( 0.000 -0.000 -6.293) 6.293 15.257 ( 0.000 -0.000 -4.386) 4.386 15.392 ( -0.000 0.000 3.361) 3.361 16.316 ( -0.000 0.000 3.006) 3.006 16.316 ( -0.000 0.000 3.006) 3.006 16.508 ( 0.000 -0.000 -1.218) 1.218 16.561 ( -0.000 0.000 3.479) 3.479 19.419 ( 0.000 -0.000 -4.411) 4.411 19.532 ( -0.000 0.000 2.677) 2.677 22.447 ( -0.000 0.000 1.983) 1.983 22.447 ( -0.000 0.000 1.983) 1.983 24.359 ( 0.000 -0.000 -0.863) 0.863 24.385 ( -0.000 0.000 0.565) 0.565 =================== 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 3/47916 10.0 5148.810 5148.810 11151.663 0.000 -0.000 0.000 3/47916 20.0 1643.637 1643.637 1968.737 0.000 0.000 0.000 3/47916 30.0 581.998 581.998 543.112 0.000 0.000 0.000 3/47916 40.0 296.873 296.873 251.858 0.000 0.000 0.000 3/47916 50.0 184.240 184.240 152.559 0.000 0.000 0.000 3/47916 60.0 128.459 128.459 106.512 0.000 0.000 0.000 3/47916 70.0 96.556 96.556 80.921 0.000 0.000 0.000 3/47916 80.0 76.361 76.361 64.865 0.000 0.000 0.000 3/47916 90.0 62.595 62.595 53.891 0.000 0.000 0.000 3/47916 100.0 52.683 52.683 45.917 0.000 0.000 0.000 3/47916 110.0 45.248 45.248 39.864 0.000 0.000 0.000 3/47916 120.0 39.492 39.492 35.119 0.000 0.000 0.000 3/47916 130.0 34.927 34.927 31.308 0.000 0.000 0.000 3/47916 140.0 31.232 31.232 28.190 0.000 0.000 0.000 3/47916 150.0 28.192 28.192 25.598 0.000 0.000 0.000 3/47916 160.0 25.656 25.656 23.415 0.000 0.000 0.000 3/47916 170.0 23.514 23.514 21.557 0.000 0.000 0.000 3/47916 180.0 21.686 21.686 19.959 0.000 0.000 0.000 3/47916 190.0 20.110 20.110 18.573 0.000 0.000 0.000 3/47916 200.0 18.741 18.741 17.361 0.000 0.000 0.000 3/47916 210.0 17.541 17.541 16.293 0.000 0.000 0.000 3/47916 220.0 16.483 16.483 15.347 0.000 0.000 0.000 3/47916 230.0 15.544 15.544 14.504 0.000 0.000 0.000 3/47916 240.0 14.705 14.705 13.747 0.000 0.000 0.000 3/47916 250.0 13.951 13.951 13.066 0.000 0.000 0.000 3/47916 260.0 13.272 13.272 12.449 0.000 0.000 0.000 3/47916 270.0 12.656 12.656 11.887 0.000 0.000 0.000 3/47916 280.0 12.095 12.095 11.375 0.000 0.000 0.000 3/47916 290.0 11.582 11.582 10.905 0.000 0.000 0.000 3/47916 300.0 11.111 11.111 10.474 0.000 0.000 0.000 3/47916 310.0 10.678 10.678 10.075 0.000 0.000 0.000 3/47916 320.0 10.278 10.278 9.706 0.000 0.000 0.000 3/47916 330.0 9.908 9.908 9.364 0.000 0.000 0.000 3/47916 340.0 9.564 9.564 9.046 0.000 0.000 0.000 3/47916 350.0 9.243 9.243 8.749 0.000 0.000 0.000 3/47916 360.0 8.944 8.944 8.471 0.000 0.000 0.000 3/47916 370.0 8.664 8.664 8.211 0.000 0.000 0.000 3/47916 380.0 8.402 8.402 7.967 0.000 0.000 0.000 3/47916 390.0 8.155 8.155 7.737 0.000 0.000 0.000 3/47916 400.0 7.923 7.923 7.520 0.000 0.000 0.000 3/47916 410.0 7.704 7.704 7.316 0.000 0.000 0.000 3/47916 420.0 7.498 7.498 7.122 0.000 0.000 0.000 3/47916 430.0 7.302 7.302 6.939 0.000 0.000 0.000 3/47916 440.0 7.116 7.116 6.765 0.000 0.000 0.000 3/47916 450.0 6.940 6.940 6.600 0.000 0.000 0.000 3/47916 460.0 6.773 6.773 6.443 0.000 0.000 0.000 3/47916 470.0 6.614 6.614 6.293 0.000 0.000 0.000 3/47916 480.0 6.462 6.462 6.151 0.000 0.000 0.000 3/47916 490.0 6.317 6.317 6.015 0.000 0.000 0.000 3/47916 500.0 6.179 6.179 5.884 0.000 0.000 0.000 3/47916 510.0 6.047 6.047 5.760 0.000 0.000 0.000 3/47916 520.0 5.921 5.921 5.641 0.000 0.000 0.000 3/47916 530.0 5.799 5.799 5.527 0.000 0.000 0.000 3/47916 540.0 5.683 5.683 5.417 0.000 0.000 0.000 3/47916 550.0 5.572 5.572 5.312 0.000 0.000 0.000 3/47916 560.0 5.465 5.465 5.211 0.000 0.000 0.000 3/47916 570.0 5.362 5.362 5.113 0.000 0.000 0.000 3/47916 580.0 5.263 5.263 5.020 0.000 0.000 0.000 3/47916 590.0 5.167 5.167 4.929 0.000 0.000 0.000 3/47916 600.0 5.075 5.075 4.842 0.000 0.000 0.000 3/47916 610.0 4.987 4.987 4.759 0.000 0.000 0.000 3/47916 620.0 4.901 4.901 4.678 0.000 0.000 0.000 3/47916 630.0 4.819 4.819 4.599 0.000 0.000 0.000 3/47916 640.0 4.739 4.739 4.524 0.000 0.000 0.000 3/47916 650.0 4.662 4.662 4.451 0.000 0.000 0.000 3/47916 660.0 4.587 4.587 4.380 0.000 0.000 0.000 3/47916 670.0 4.515 4.515 4.311 0.000 0.000 0.000 3/47916 680.0 4.445 4.445 4.245 0.000 0.000 0.000 3/47916 690.0 4.377 4.377 4.181 0.000 0.000 0.000 3/47916 700.0 4.312 4.312 4.118 0.000 0.000 0.000 3/47916 710.0 4.248 4.248 4.058 0.000 0.000 0.000 3/47916 720.0 4.186 4.186 3.999 0.000 0.000 0.000 3/47916 730.0 4.126 4.126 3.942 0.000 0.000 0.000 3/47916 740.0 4.068 4.068 3.887 0.000 0.000 0.000 3/47916 750.0 4.011 4.011 3.833 0.000 0.000 0.000 3/47916 760.0 3.956 3.956 3.781 0.000 0.000 0.000 3/47916 770.0 3.903 3.903 3.730 0.000 0.000 0.000 3/47916 780.0 3.851 3.851 3.680 0.000 0.000 0.000 3/47916 790.0 3.800 3.800 3.632 0.000 0.000 0.000 3/47916 800.0 3.751 3.751 3.585 0.000 0.000 0.000 3/47916 810.0 3.702 3.702 3.539 0.000 0.000 0.000 3/47916 820.0 3.656 3.656 3.495 0.000 0.000 0.000 3/47916 830.0 3.610 3.610 3.451 0.000 0.000 0.000 3/47916 840.0 3.565 3.565 3.409 0.000 0.000 0.000 3/47916 850.0 3.522 3.522 3.368 0.000 0.000 0.000 3/47916 860.0 3.480 3.480 3.327 0.000 0.000 0.000 3/47916 870.0 3.438 3.438 3.288 0.000 0.000 0.000 3/47916 880.0 3.398 3.398 3.250 0.000 0.000 0.000 3/47916 890.0 3.359 3.359 3.212 0.000 0.000 0.000 3/47916 900.0 3.320 3.320 3.176 0.000 0.000 0.000 3/47916 910.0 3.283 3.283 3.140 0.000 0.000 0.000 3/47916 920.0 3.246 3.246 3.105 0.000 0.000 0.000 3/47916 930.0 3.210 3.210 3.070 0.000 0.000 0.000 3/47916 940.0 3.175 3.175 3.037 0.000 0.000 0.000 3/47916 950.0 3.141 3.141 3.004 0.000 0.000 0.000 3/47916 960.0 3.107 3.107 2.972 0.000 0.000 0.000 3/47916 970.0 3.074 3.074 2.941 0.000 0.000 0.000 3/47916 980.0 3.042 3.042 2.910 0.000 0.000 0.000 3/47916 990.0 3.010 3.010 2.880 0.000 0.000 0.000 3/47916 1000.0 2.979 2.979 2.851 0.000 0.000 0.000 3/47916 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:00:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|