----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:59:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.938628320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.252360159999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.703310460000000 Atomic positions (fractional): *1 O 0.80191300288767 0.93366458580690 0.19600056533834 15.999 2 O 0.69808699711233 0.06633541419310 0.69600056533834 15.999 3 O 0.30191300288767 0.56633541419310 0.30399943466166 15.999 4 O 0.19808699711233 0.43366458580690 0.80399943466166 15.999 5 O 0.19808699711233 0.06633541419310 0.80399943466166 15.999 6 O 0.30191300288767 0.93366458580690 0.30399943466166 15.999 7 O 0.69808699711233 0.43366458580690 0.69600056533834 15.999 8 O 0.80191300288767 0.56633541419310 0.19600056533834 15.999 *9 O 0.94727623183981 0.75000000000000 0.62396618402122 15.999 10 O 0.55272376816019 0.25000000000000 0.12396618402122 15.999 11 O 0.44727623183981 0.75000000000000 0.87603381597878 15.999 12 O 0.05272376816019 0.25000000000000 0.37603381597878 15.999 *13 Pr 0.55535694354030 0.75000000000000 0.48153046054327 140.908 14 Pr 0.94464305645970 0.25000000000000 0.98153046054327 140.908 15 Pr 0.05535694354030 0.75000000000000 0.01846953945673 140.908 16 Pr 0.44464305645970 0.25000000000000 0.51846953945673 140.908 *17 Lu 0.00000000000000 0.50000000000000 0.50000000000000 174.967 18 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 19 Lu 0.50000000000000 0.00000000000000 0.00000000000000 174.967 20 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.938628320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.252360159999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.703310460000000 Atomic positions (fractional): *1 O 0.80191300288767 0.93366458580690 0.19600056533834 15.999 > 1 2 O 0.69808699711233 0.06633541419310 0.69600056533834 15.999 > 2 3 O 0.30191300288767 0.56633541419310 0.30399943466166 15.999 > 3 4 O 0.19808699711233 0.43366458580690 0.80399943466166 15.999 > 4 5 O 0.19808699711233 0.06633541419310 0.80399943466166 15.999 > 5 6 O 0.30191300288767 0.93366458580690 0.30399943466166 15.999 > 6 7 O 0.69808699711233 0.43366458580690 0.69600056533834 15.999 > 7 8 O 0.80191300288767 0.56633541419310 0.19600056533834 15.999 > 8 *9 O 0.94727623183981 0.75000000000000 0.62396618402122 15.999 > 9 10 O 0.55272376816019 0.25000000000000 0.12396618402122 15.999 > 10 11 O 0.44727623183981 0.75000000000000 0.87603381597878 15.999 > 11 12 O 0.05272376816019 0.25000000000000 0.37603381597878 15.999 > 12 *13 Pr 0.55535694354030 0.75000000000000 0.48153046054327 140.908 > 13 14 Pr 0.94464305645970 0.25000000000000 0.98153046054327 140.908 > 14 15 Pr 0.05535694354030 0.75000000000000 0.01846953945673 140.908 > 15 16 Pr 0.44464305645970 0.25000000000000 0.51846953945673 140.908 > 16 *17 Lu 0.00000000000000 0.50000000000000 0.50000000000000 174.967 > 17 18 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 18 19 Lu 0.50000000000000 0.00000000000000 0.00000000000000 174.967 > 19 20 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.877256640000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.252360159999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.406620920000000 Atomic positions (fractional): *1 O 0.40095650144383 0.93366458580690 0.09800028266917 15.999 > 1 2 O 0.90095650144383 0.93366458580690 0.09800028266917 15.999 > 1 3 O 0.40095650144383 0.93366458580690 0.59800028266917 15.999 > 1 4 O 0.90095650144383 0.93366458580690 0.59800028266917 15.999 > 1 5 O 0.34904349855617 0.06633541419310 0.34800028266917 15.999 > 2 6 O 0.84904349855617 0.06633541419310 0.34800028266917 15.999 > 2 7 O 0.34904349855617 0.06633541419310 0.84800028266917 15.999 > 2 8 O 0.84904349855617 0.06633541419310 0.84800028266917 15.999 > 2 9 O 0.15095650144383 0.56633541419310 0.15199971733083 15.999 > 3 10 O 0.65095650144383 0.56633541419310 0.15199971733083 15.999 > 3 11 O 0.15095650144383 0.56633541419310 0.65199971733083 15.999 > 3 12 O 0.65095650144383 0.56633541419310 0.65199971733083 15.999 > 3 13 O 0.09904349855617 0.43366458580690 0.40199971733083 15.999 > 4 14 O 0.59904349855617 0.43366458580690 0.40199971733083 15.999 > 4 15 O 0.09904349855617 0.43366458580690 0.90199971733083 15.999 > 4 16 O 0.59904349855617 0.43366458580690 0.90199971733083 15.999 > 4 17 O 0.09904349855617 0.06633541419310 0.40199971733083 15.999 > 5 18 O 0.59904349855617 0.06633541419310 0.40199971733083 15.999 > 5 19 O 0.09904349855617 0.06633541419310 0.90199971733083 15.999 > 5 20 O 0.59904349855617 0.06633541419310 0.90199971733083 15.999 > 5 21 O 0.15095650144383 0.93366458580690 0.15199971733083 15.999 > 6 22 O 0.65095650144383 0.93366458580690 0.15199971733083 15.999 > 6 23 O 0.15095650144383 0.93366458580690 0.65199971733083 15.999 > 6 24 O 0.65095650144383 0.93366458580690 0.65199971733083 15.999 > 6 25 O 0.34904349855617 0.43366458580690 0.34800028266917 15.999 > 7 26 O 0.84904349855617 0.43366458580690 0.34800028266917 15.999 > 7 27 O 0.34904349855617 0.43366458580690 0.84800028266917 15.999 > 7 28 O 0.84904349855617 0.43366458580690 0.84800028266917 15.999 > 7 29 O 0.40095650144383 0.56633541419310 0.09800028266917 15.999 > 8 30 O 0.90095650144383 0.56633541419310 0.09800028266917 15.999 > 8 31 O 0.40095650144383 0.56633541419310 0.59800028266917 15.999 > 8 32 O 0.90095650144383 0.56633541419310 0.59800028266917 15.999 > 8 *33 O 0.47363811591990 0.75000000000000 0.31198309201061 15.999 > 9 34 O 0.97363811591990 0.75000000000000 0.31198309201061 15.999 > 9 35 O 0.47363811591990 0.75000000000000 0.81198309201061 15.999 > 9 36 O 0.97363811591990 0.75000000000000 0.81198309201061 15.999 > 9 37 O 0.27636188408010 0.25000000000000 0.06198309201061 15.999 > 10 38 O 0.77636188408010 0.25000000000000 0.06198309201061 15.999 > 10 39 O 0.27636188408010 0.25000000000000 0.56198309201061 15.999 > 10 40 O 0.77636188408010 0.25000000000000 0.56198309201061 15.999 > 10 41 O 0.22363811591990 0.75000000000000 0.43801690798939 15.999 > 11 42 O 0.72363811591990 0.75000000000000 0.43801690798939 15.999 > 11 43 O 0.22363811591990 0.75000000000000 0.93801690798939 15.999 > 11 44 O 0.72363811591990 0.75000000000000 0.93801690798939 15.999 > 11 45 O 0.02636188408010 0.25000000000000 0.18801690798939 15.999 > 12 46 O 0.52636188408010 0.25000000000000 0.18801690798939 15.999 > 12 47 O 0.02636188408010 0.25000000000000 0.68801690798939 15.999 > 12 48 O 0.52636188408010 0.25000000000000 0.68801690798939 15.999 > 12 *49 Pr 0.27767847177015 0.75000000000000 0.24076523027164 140.908 > 13 50 Pr 0.77767847177015 0.75000000000000 0.24076523027164 140.908 > 13 51 Pr 0.27767847177015 0.75000000000000 0.74076523027164 140.908 > 13 52 Pr 0.77767847177015 0.75000000000000 0.74076523027164 140.908 > 13 53 Pr 0.47232152822985 0.25000000000000 0.49076523027164 140.908 > 14 54 Pr 0.97232152822985 0.25000000000000 0.49076523027164 140.908 > 14 55 Pr 0.47232152822985 0.25000000000000 0.99076523027164 140.908 > 14 56 Pr 0.97232152822985 0.25000000000000 0.99076523027164 140.908 > 14 57 Pr 0.02767847177015 0.75000000000000 0.00923476972836 140.908 > 15 58 Pr 0.52767847177015 0.75000000000000 0.00923476972836 140.908 > 15 59 Pr 0.02767847177015 0.75000000000000 0.50923476972836 140.908 > 15 60 Pr 0.52767847177015 0.75000000000000 0.50923476972836 140.908 > 15 61 Pr 0.22232152822985 0.25000000000000 0.25923476972836 140.908 > 16 62 Pr 0.72232152822985 0.25000000000000 0.25923476972836 140.908 > 16 63 Pr 0.22232152822985 0.25000000000000 0.75923476972836 140.908 > 16 64 Pr 0.72232152822985 0.25000000000000 0.75923476972836 140.908 > 16 *65 Lu 0.00000000000000 0.50000000000000 0.25000000000000 174.967 > 17 66 Lu 0.50000000000000 0.50000000000000 0.25000000000000 174.967 > 17 67 Lu 0.00000000000000 0.50000000000000 0.75000000000000 174.967 > 17 68 Lu 0.50000000000000 0.50000000000000 0.75000000000000 174.967 > 17 69 Lu 0.25000000000000 0.50000000000000 0.00000000000000 174.967 > 18 70 Lu 0.75000000000000 0.50000000000000 0.00000000000000 174.967 > 18 71 Lu 0.25000000000000 0.50000000000000 0.50000000000000 174.967 > 18 72 Lu 0.75000000000000 0.50000000000000 0.50000000000000 174.967 > 18 73 Lu 0.25000000000000 0.00000000000000 0.00000000000000 174.967 > 19 74 Lu 0.75000000000000 0.00000000000000 0.00000000000000 174.967 > 19 75 Lu 0.25000000000000 0.00000000000000 0.50000000000000 174.967 > 19 76 Lu 0.75000000000000 0.00000000000000 0.50000000000000 174.967 > 19 77 Lu 0.00000000000000 0.00000000000000 0.25000000000000 174.967 > 20 78 Lu 0.50000000000000 0.00000000000000 0.25000000000000 174.967 > 20 79 Lu 0.00000000000000 0.00000000000000 0.75000000000000 174.967 > 20 80 Lu 0.50000000000000 0.00000000000000 0.75000000000000 174.967 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6174089 0.0000000 0.0000000 0.0000000 4.3921107 0.0000000 0.0000000 0.0000000 4.6905675 -------------------------- Born effective charges -------------------------- 1 O -2.8874703 0.2092059 -0.2708160 0.2563764 -2.2381924 -0.0471932 -0.2523481 -0.0035410 -2.6747075 2 O -2.8874703 0.2092059 0.2708160 0.2563764 -2.2381924 0.0471932 0.2523481 0.0035410 -2.6747075 3 O -2.8874703 -0.2092059 0.2708160 -0.2563764 -2.2381924 -0.0471932 0.2523481 -0.0035410 -2.6747075 4 O -2.8874703 -0.2092059 -0.2708160 -0.2563764 -2.2381924 0.0471932 -0.2523481 0.0035410 -2.6747075 5 O -2.8874703 0.2092059 -0.2708160 0.2563764 -2.2381924 -0.0471932 -0.2523481 -0.0035410 -2.6747075 6 O -2.8874703 0.2092059 0.2708160 0.2563764 -2.2381924 0.0471932 0.2523481 0.0035410 -2.6747075 7 O -2.8874703 -0.2092059 0.2708160 -0.2563764 -2.2381924 -0.0471932 0.2523481 -0.0035410 -2.6747075 8 O -2.8874703 -0.2092059 -0.2708160 -0.2563764 -2.2381924 0.0471932 -0.2523481 0.0035410 -2.6747075 9 O -2.2728884 0.0000000 -0.4347408 0.0000000 -2.8609084 0.0000000 -0.4647456 0.0000000 -2.7941292 10 O -2.2728884 0.0000000 0.4347408 0.0000000 -2.8609084 0.0000000 0.4647456 0.0000000 -2.7941292 11 O -2.2728884 0.0000000 0.4347408 0.0000000 -2.8609084 0.0000000 0.4647456 0.0000000 -2.7941292 12 O -2.2728884 0.0000000 -0.4347408 0.0000000 -2.8609084 0.0000000 -0.4647456 0.0000000 -2.7941292 13 Pr 4.2365982 0.0000000 0.1046207 0.0000000 3.5579125 0.0000000 0.2887149 0.0000000 4.3347895 14 Pr 4.2365982 0.0000000 -0.1046207 0.0000000 3.5579125 0.0000000 -0.2887149 0.0000000 4.3347895 15 Pr 4.2365982 0.0000000 -0.1046207 0.0000000 3.5579125 0.0000000 -0.2887149 0.0000000 4.3347895 16 Pr 4.2365982 0.0000000 0.1046207 0.0000000 3.5579125 0.0000000 0.2887149 0.0000000 4.3347895 17 Lu 3.8112308 -0.1476401 -0.2325945 -0.1176665 3.7793807 -0.2392235 -0.0833588 -0.0895839 3.8087547 18 Lu 3.8112308 -0.1476401 0.2325945 -0.1176665 3.7793807 0.2392235 0.0833588 0.0895839 3.8087547 19 Lu 3.8112308 0.1476401 0.2325945 0.1176665 3.7793807 -0.2392235 0.0833588 -0.0895839 3.8087547 20 Lu 3.8112308 0.1476401 -0.2325945 0.1176665 3.7793807 0.2392235 -0.0833588 0.0895839 3.8087547 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.724 Solver_block: 200 / 320 - Time: 0.741 Solver_block: 300 / 320 - Time: 0.741 Solver_block: 320 / 320 - Time: 0.185 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.407 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:00:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:00:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.938628320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.252360159999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.703310460000000 Atomic positions (fractional): 1 O 0.80191300288767 0.93366458580690 0.19600056533834 15.999 2 O 0.69808699711233 0.06633541419310 0.69600056533834 15.999 3 O 0.30191300288767 0.56633541419310 0.30399943466166 15.999 4 O 0.19808699711233 0.43366458580690 0.80399943466166 15.999 5 O 0.19808699711233 0.06633541419310 0.80399943466166 15.999 6 O 0.30191300288767 0.93366458580690 0.30399943466166 15.999 7 O 0.69808699711233 0.43366458580690 0.69600056533834 15.999 8 O 0.80191300288767 0.56633541419310 0.19600056533834 15.999 9 O 0.94727623183981 0.75000000000000 0.62396618402122 15.999 10 O 0.55272376816019 0.25000000000000 0.12396618402122 15.999 11 O 0.44727623183981 0.75000000000000 0.87603381597878 15.999 12 O 0.05272376816019 0.25000000000000 0.37603381597878 15.999 13 Pr 0.55535694354030 0.75000000000000 0.48153046054327 140.908 14 Pr 0.94464305645970 0.25000000000000 0.98153046054327 140.908 15 Pr 0.05535694354030 0.75000000000000 0.01846953945673 140.908 16 Pr 0.44464305645970 0.25000000000000 0.51846953945673 140.908 17 Lu 0.00000000000000 0.50000000000000 0.50000000000000 174.967 18 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 19 Lu 0.50000000000000 0.00000000000000 0.00000000000000 174.967 20 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.877256640000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.252360159999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.406620920000000 Atomic positions (fractional): 1 O 0.40095650144383 0.93366458580690 0.09800028266917 15.999 > 1 2 O 0.90095650144383 0.93366458580690 0.09800028266917 15.999 > 1 3 O 0.40095650144383 0.93366458580690 0.59800028266917 15.999 > 1 4 O 0.90095650144383 0.93366458580690 0.59800028266917 15.999 > 1 5 O 0.34904349855617 0.06633541419310 0.34800028266917 15.999 > 5 6 O 0.84904349855617 0.06633541419310 0.34800028266917 15.999 > 5 7 O 0.34904349855617 0.06633541419310 0.84800028266917 15.999 > 5 8 O 0.84904349855617 0.06633541419310 0.84800028266917 15.999 > 5 9 O 0.15095650144383 0.56633541419310 0.15199971733083 15.999 > 9 10 O 0.65095650144383 0.56633541419310 0.15199971733083 15.999 > 9 11 O 0.15095650144383 0.56633541419310 0.65199971733083 15.999 > 9 12 O 0.65095650144383 0.56633541419310 0.65199971733083 15.999 > 9 13 O 0.09904349855617 0.43366458580690 0.40199971733083 15.999 > 13 14 O 0.59904349855617 0.43366458580690 0.40199971733083 15.999 > 13 15 O 0.09904349855617 0.43366458580690 0.90199971733083 15.999 > 13 16 O 0.59904349855617 0.43366458580690 0.90199971733083 15.999 > 13 17 O 0.09904349855617 0.06633541419310 0.40199971733083 15.999 > 17 18 O 0.59904349855617 0.06633541419310 0.40199971733083 15.999 > 17 19 O 0.09904349855617 0.06633541419310 0.90199971733083 15.999 > 17 20 O 0.59904349855617 0.06633541419310 0.90199971733083 15.999 > 17 21 O 0.15095650144383 0.93366458580690 0.15199971733083 15.999 > 21 22 O 0.65095650144383 0.93366458580690 0.15199971733083 15.999 > 21 23 O 0.15095650144383 0.93366458580690 0.65199971733083 15.999 > 21 24 O 0.65095650144383 0.93366458580690 0.65199971733083 15.999 > 21 25 O 0.34904349855617 0.43366458580690 0.34800028266917 15.999 > 25 26 O 0.84904349855617 0.43366458580690 0.34800028266917 15.999 > 25 27 O 0.34904349855617 0.43366458580690 0.84800028266917 15.999 > 25 28 O 0.84904349855617 0.43366458580690 0.84800028266917 15.999 > 25 29 O 0.40095650144383 0.56633541419310 0.09800028266917 15.999 > 29 30 O 0.90095650144383 0.56633541419310 0.09800028266917 15.999 > 29 31 O 0.40095650144383 0.56633541419310 0.59800028266917 15.999 > 29 32 O 0.90095650144383 0.56633541419310 0.59800028266917 15.999 > 29 33 O 0.47363811591990 0.75000000000000 0.31198309201061 15.999 > 33 34 O 0.97363811591990 0.75000000000000 0.31198309201061 15.999 > 33 35 O 0.47363811591990 0.75000000000000 0.81198309201061 15.999 > 33 36 O 0.97363811591990 0.75000000000000 0.81198309201061 15.999 > 33 37 O 0.27636188408010 0.25000000000000 0.06198309201061 15.999 > 37 38 O 0.77636188408010 0.25000000000000 0.06198309201061 15.999 > 37 39 O 0.27636188408010 0.25000000000000 0.56198309201061 15.999 > 37 40 O 0.77636188408010 0.25000000000000 0.56198309201061 15.999 > 37 41 O 0.22363811591990 0.75000000000000 0.43801690798939 15.999 > 41 42 O 0.72363811591990 0.75000000000000 0.43801690798939 15.999 > 41 43 O 0.22363811591990 0.75000000000000 0.93801690798939 15.999 > 41 44 O 0.72363811591990 0.75000000000000 0.93801690798939 15.999 > 41 45 O 0.02636188408010 0.25000000000000 0.18801690798939 15.999 > 45 46 O 0.52636188408010 0.25000000000000 0.18801690798939 15.999 > 45 47 O 0.02636188408010 0.25000000000000 0.68801690798939 15.999 > 45 48 O 0.52636188408010 0.25000000000000 0.68801690798939 15.999 > 45 49 Pr 0.27767847177015 0.75000000000000 0.24076523027164 140.908 > 49 50 Pr 0.77767847177015 0.75000000000000 0.24076523027164 140.908 > 49 51 Pr 0.27767847177015 0.75000000000000 0.74076523027164 140.908 > 49 52 Pr 0.77767847177015 0.75000000000000 0.74076523027164 140.908 > 49 53 Pr 0.47232152822985 0.25000000000000 0.49076523027164 140.908 > 53 54 Pr 0.97232152822985 0.25000000000000 0.49076523027164 140.908 > 53 55 Pr 0.47232152822985 0.25000000000000 0.99076523027164 140.908 > 53 56 Pr 0.97232152822985 0.25000000000000 0.99076523027164 140.908 > 53 57 Pr 0.02767847177015 0.75000000000000 0.00923476972836 140.908 > 57 58 Pr 0.52767847177015 0.75000000000000 0.00923476972836 140.908 > 57 59 Pr 0.02767847177015 0.75000000000000 0.50923476972836 140.908 > 57 60 Pr 0.52767847177015 0.75000000000000 0.50923476972836 140.908 > 57 61 Pr 0.22232152822985 0.25000000000000 0.25923476972836 140.908 > 61 62 Pr 0.72232152822985 0.25000000000000 0.25923476972836 140.908 > 61 63 Pr 0.22232152822985 0.25000000000000 0.75923476972836 140.908 > 61 64 Pr 0.72232152822985 0.25000000000000 0.75923476972836 140.908 > 61 65 Lu 0.00000000000000 0.50000000000000 0.25000000000000 174.967 > 65 66 Lu 0.50000000000000 0.50000000000000 0.25000000000000 174.967 > 65 67 Lu 0.00000000000000 0.50000000000000 0.75000000000000 174.967 > 65 68 Lu 0.50000000000000 0.50000000000000 0.75000000000000 174.967 > 65 69 Lu 0.25000000000000 0.50000000000000 0.00000000000000 174.967 > 69 70 Lu 0.75000000000000 0.50000000000000 0.00000000000000 174.967 > 69 71 Lu 0.25000000000000 0.50000000000000 0.50000000000000 174.967 > 69 72 Lu 0.75000000000000 0.50000000000000 0.50000000000000 174.967 > 69 73 Lu 0.25000000000000 0.00000000000000 0.00000000000000 174.967 > 73 74 Lu 0.75000000000000 0.00000000000000 0.00000000000000 174.967 > 73 75 Lu 0.25000000000000 0.00000000000000 0.50000000000000 174.967 > 73 76 Lu 0.75000000000000 0.00000000000000 0.50000000000000 174.967 > 73 77 Lu 0.00000000000000 0.00000000000000 0.25000000000000 174.967 > 77 78 Lu 0.50000000000000 0.00000000000000 0.25000000000000 174.967 > 77 79 Lu 0.00000000000000 0.00000000000000 0.75000000000000 174.967 > 77 80 Lu 0.50000000000000 0.00000000000000 0.75000000000000 174.967 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6174089 0.0000000 0.0000000 0.0000000 4.3921107 0.0000000 0.0000000 0.0000000 4.6905675 -------------------------- Born effective charges -------------------------- 1 O -2.8874703 0.2092059 -0.2708160 0.2563764 -2.2381924 -0.0471932 -0.2523481 -0.0035410 -2.6747075 2 O -2.8874703 0.2092059 0.2708160 0.2563764 -2.2381924 0.0471932 0.2523481 0.0035410 -2.6747075 3 O -2.8874703 -0.2092059 0.2708160 -0.2563764 -2.2381924 -0.0471932 0.2523481 -0.0035410 -2.6747075 4 O -2.8874703 -0.2092059 -0.2708160 -0.2563764 -2.2381924 0.0471932 -0.2523481 0.0035410 -2.6747075 5 O -2.8874703 0.2092059 -0.2708160 0.2563764 -2.2381924 -0.0471932 -0.2523481 -0.0035410 -2.6747075 6 O -2.8874703 0.2092059 0.2708160 0.2563764 -2.2381924 0.0471932 0.2523481 0.0035410 -2.6747075 7 O -2.8874703 -0.2092059 0.2708160 -0.2563764 -2.2381924 -0.0471932 0.2523481 -0.0035410 -2.6747075 8 O -2.8874703 -0.2092059 -0.2708160 -0.2563764 -2.2381924 0.0471932 -0.2523481 0.0035410 -2.6747075 9 O -2.2728884 0.0000000 -0.4347408 0.0000000 -2.8609084 0.0000000 -0.4647456 0.0000000 -2.7941292 10 O -2.2728884 0.0000000 0.4347408 0.0000000 -2.8609084 0.0000000 0.4647456 0.0000000 -2.7941292 11 O -2.2728884 0.0000000 0.4347408 0.0000000 -2.8609084 0.0000000 0.4647456 0.0000000 -2.7941292 12 O -2.2728884 0.0000000 -0.4347408 0.0000000 -2.8609084 0.0000000 -0.4647456 0.0000000 -2.7941292 13 Pr 4.2365982 0.0000000 0.1046207 0.0000000 3.5579125 0.0000000 0.2887149 0.0000000 4.3347895 14 Pr 4.2365982 0.0000000 -0.1046207 0.0000000 3.5579125 0.0000000 -0.2887149 0.0000000 4.3347895 15 Pr 4.2365982 0.0000000 -0.1046207 0.0000000 3.5579125 0.0000000 -0.2887149 0.0000000 4.3347895 16 Pr 4.2365982 0.0000000 0.1046207 0.0000000 3.5579125 0.0000000 0.2887149 0.0000000 4.3347895 17 Lu 3.8112308 -0.1476401 -0.2325945 -0.1176665 3.7793807 -0.2392235 -0.0833588 -0.0895839 3.8087547 18 Lu 3.8112308 -0.1476401 0.2325945 -0.1176665 3.7793807 0.2392235 0.0833588 0.0895839 3.8087547 19 Lu 3.8112308 0.1476401 0.2325945 0.1176665 3.7793807 -0.2392235 0.0833588 -0.0895839 3.8087547 20 Lu 3.8112308 0.1476401 -0.2325945 0.1176665 3.7793807 0.2392235 -0.0833588 0.0895839 3.8087547 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, 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: -0.00000006 (yzy) -0.00000006 (yzy) -0.00000006 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (zy) 0.00000004 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:00:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:00:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.938628320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.252360159999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.703310460000000 Atomic positions (fractional): 1 O 0.80191300288767 0.93366458580690 0.19600056533834 15.999 2 O 0.69808699711233 0.06633541419310 0.69600056533834 15.999 3 O 0.30191300288767 0.56633541419310 0.30399943466166 15.999 4 O 0.19808699711233 0.43366458580690 0.80399943466166 15.999 5 O 0.19808699711233 0.06633541419310 0.80399943466166 15.999 6 O 0.30191300288767 0.93366458580690 0.30399943466166 15.999 7 O 0.69808699711233 0.43366458580690 0.69600056533834 15.999 8 O 0.80191300288767 0.56633541419310 0.19600056533834 15.999 9 O 0.94727623183981 0.75000000000000 0.62396618402122 15.999 10 O 0.55272376816019 0.25000000000000 0.12396618402122 15.999 11 O 0.44727623183981 0.75000000000000 0.87603381597878 15.999 12 O 0.05272376816019 0.25000000000000 0.37603381597878 15.999 13 Pr 0.55535694354030 0.75000000000000 0.48153046054327 140.908 14 Pr 0.94464305645970 0.25000000000000 0.98153046054327 140.908 15 Pr 0.05535694354030 0.75000000000000 0.01846953945673 140.908 16 Pr 0.44464305645970 0.25000000000000 0.51846953945673 140.908 17 Lu 0.00000000000000 0.50000000000000 0.50000000000000 174.967 18 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 19 Lu 0.50000000000000 0.00000000000000 0.00000000000000 174.967 20 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.877256640000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.252360159999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.406620920000000 Atomic positions (fractional): 1 O 0.40095650144383 0.93366458580690 0.09800028266917 15.999 > 1 2 O 0.90095650144383 0.93366458580690 0.09800028266917 15.999 > 1 3 O 0.40095650144383 0.93366458580690 0.59800028266917 15.999 > 1 4 O 0.90095650144383 0.93366458580690 0.59800028266917 15.999 > 1 5 O 0.34904349855617 0.06633541419310 0.34800028266917 15.999 > 5 6 O 0.84904349855617 0.06633541419310 0.34800028266917 15.999 > 5 7 O 0.34904349855617 0.06633541419310 0.84800028266917 15.999 > 5 8 O 0.84904349855617 0.06633541419310 0.84800028266917 15.999 > 5 9 O 0.15095650144383 0.56633541419310 0.15199971733083 15.999 > 9 10 O 0.65095650144383 0.56633541419310 0.15199971733083 15.999 > 9 11 O 0.15095650144383 0.56633541419310 0.65199971733083 15.999 > 9 12 O 0.65095650144383 0.56633541419310 0.65199971733083 15.999 > 9 13 O 0.09904349855617 0.43366458580690 0.40199971733083 15.999 > 13 14 O 0.59904349855617 0.43366458580690 0.40199971733083 15.999 > 13 15 O 0.09904349855617 0.43366458580690 0.90199971733083 15.999 > 13 16 O 0.59904349855617 0.43366458580690 0.90199971733083 15.999 > 13 17 O 0.09904349855617 0.06633541419310 0.40199971733083 15.999 > 17 18 O 0.59904349855617 0.06633541419310 0.40199971733083 15.999 > 17 19 O 0.09904349855617 0.06633541419310 0.90199971733083 15.999 > 17 20 O 0.59904349855617 0.06633541419310 0.90199971733083 15.999 > 17 21 O 0.15095650144383 0.93366458580690 0.15199971733083 15.999 > 21 22 O 0.65095650144383 0.93366458580690 0.15199971733083 15.999 > 21 23 O 0.15095650144383 0.93366458580690 0.65199971733083 15.999 > 21 24 O 0.65095650144383 0.93366458580690 0.65199971733083 15.999 > 21 25 O 0.34904349855617 0.43366458580690 0.34800028266917 15.999 > 25 26 O 0.84904349855617 0.43366458580690 0.34800028266917 15.999 > 25 27 O 0.34904349855617 0.43366458580690 0.84800028266917 15.999 > 25 28 O 0.84904349855617 0.43366458580690 0.84800028266917 15.999 > 25 29 O 0.40095650144383 0.56633541419310 0.09800028266917 15.999 > 29 30 O 0.90095650144383 0.56633541419310 0.09800028266917 15.999 > 29 31 O 0.40095650144383 0.56633541419310 0.59800028266917 15.999 > 29 32 O 0.90095650144383 0.56633541419310 0.59800028266917 15.999 > 29 33 O 0.47363811591990 0.75000000000000 0.31198309201061 15.999 > 33 34 O 0.97363811591990 0.75000000000000 0.31198309201061 15.999 > 33 35 O 0.47363811591990 0.75000000000000 0.81198309201061 15.999 > 33 36 O 0.97363811591990 0.75000000000000 0.81198309201061 15.999 > 33 37 O 0.27636188408010 0.25000000000000 0.06198309201061 15.999 > 37 38 O 0.77636188408010 0.25000000000000 0.06198309201061 15.999 > 37 39 O 0.27636188408010 0.25000000000000 0.56198309201061 15.999 > 37 40 O 0.77636188408010 0.25000000000000 0.56198309201061 15.999 > 37 41 O 0.22363811591990 0.75000000000000 0.43801690798939 15.999 > 41 42 O 0.72363811591990 0.75000000000000 0.43801690798939 15.999 > 41 43 O 0.22363811591990 0.75000000000000 0.93801690798939 15.999 > 41 44 O 0.72363811591990 0.75000000000000 0.93801690798939 15.999 > 41 45 O 0.02636188408010 0.25000000000000 0.18801690798939 15.999 > 45 46 O 0.52636188408010 0.25000000000000 0.18801690798939 15.999 > 45 47 O 0.02636188408010 0.25000000000000 0.68801690798939 15.999 > 45 48 O 0.52636188408010 0.25000000000000 0.68801690798939 15.999 > 45 49 Pr 0.27767847177015 0.75000000000000 0.24076523027164 140.908 > 49 50 Pr 0.77767847177015 0.75000000000000 0.24076523027164 140.908 > 49 51 Pr 0.27767847177015 0.75000000000000 0.74076523027164 140.908 > 49 52 Pr 0.77767847177015 0.75000000000000 0.74076523027164 140.908 > 49 53 Pr 0.47232152822985 0.25000000000000 0.49076523027164 140.908 > 53 54 Pr 0.97232152822985 0.25000000000000 0.49076523027164 140.908 > 53 55 Pr 0.47232152822985 0.25000000000000 0.99076523027164 140.908 > 53 56 Pr 0.97232152822985 0.25000000000000 0.99076523027164 140.908 > 53 57 Pr 0.02767847177015 0.75000000000000 0.00923476972836 140.908 > 57 58 Pr 0.52767847177015 0.75000000000000 0.00923476972836 140.908 > 57 59 Pr 0.02767847177015 0.75000000000000 0.50923476972836 140.908 > 57 60 Pr 0.52767847177015 0.75000000000000 0.50923476972836 140.908 > 57 61 Pr 0.22232152822985 0.25000000000000 0.25923476972836 140.908 > 61 62 Pr 0.72232152822985 0.25000000000000 0.25923476972836 140.908 > 61 63 Pr 0.22232152822985 0.25000000000000 0.75923476972836 140.908 > 61 64 Pr 0.72232152822985 0.25000000000000 0.75923476972836 140.908 > 61 65 Lu 0.00000000000000 0.50000000000000 0.25000000000000 174.967 > 65 66 Lu 0.50000000000000 0.50000000000000 0.25000000000000 174.967 > 65 67 Lu 0.00000000000000 0.50000000000000 0.75000000000000 174.967 > 65 68 Lu 0.50000000000000 0.50000000000000 0.75000000000000 174.967 > 65 69 Lu 0.25000000000000 0.50000000000000 0.00000000000000 174.967 > 69 70 Lu 0.75000000000000 0.50000000000000 0.00000000000000 174.967 > 69 71 Lu 0.25000000000000 0.50000000000000 0.50000000000000 174.967 > 69 72 Lu 0.75000000000000 0.50000000000000 0.50000000000000 174.967 > 69 73 Lu 0.25000000000000 0.00000000000000 0.00000000000000 174.967 > 73 74 Lu 0.75000000000000 0.00000000000000 0.00000000000000 174.967 > 73 75 Lu 0.25000000000000 0.00000000000000 0.50000000000000 174.967 > 73 76 Lu 0.75000000000000 0.00000000000000 0.50000000000000 174.967 > 73 77 Lu 0.00000000000000 0.00000000000000 0.25000000000000 174.967 > 77 78 Lu 0.50000000000000 0.00000000000000 0.25000000000000 174.967 > 77 79 Lu 0.00000000000000 0.00000000000000 0.75000000000000 174.967 > 77 80 Lu 0.50000000000000 0.00000000000000 0.75000000000000 174.967 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6174089 0.0000000 0.0000000 0.0000000 4.3921107 0.0000000 0.0000000 0.0000000 4.6905675 -------------------------- Born effective charges -------------------------- 1 O -2.8874703 0.2092059 -0.2708160 0.2563764 -2.2381924 -0.0471932 -0.2523481 -0.0035410 -2.6747075 2 O -2.8874703 0.2092059 0.2708160 0.2563764 -2.2381924 0.0471932 0.2523481 0.0035410 -2.6747075 3 O -2.8874703 -0.2092059 0.2708160 -0.2563764 -2.2381924 -0.0471932 0.2523481 -0.0035410 -2.6747075 4 O -2.8874703 -0.2092059 -0.2708160 -0.2563764 -2.2381924 0.0471932 -0.2523481 0.0035410 -2.6747075 5 O -2.8874703 0.2092059 -0.2708160 0.2563764 -2.2381924 -0.0471932 -0.2523481 -0.0035410 -2.6747075 6 O -2.8874703 0.2092059 0.2708160 0.2563764 -2.2381924 0.0471932 0.2523481 0.0035410 -2.6747075 7 O -2.8874703 -0.2092059 0.2708160 -0.2563764 -2.2381924 -0.0471932 0.2523481 -0.0035410 -2.6747075 8 O -2.8874703 -0.2092059 -0.2708160 -0.2563764 -2.2381924 0.0471932 -0.2523481 0.0035410 -2.6747075 9 O -2.2728884 0.0000000 -0.4347408 0.0000000 -2.8609084 0.0000000 -0.4647456 0.0000000 -2.7941292 10 O -2.2728884 0.0000000 0.4347408 0.0000000 -2.8609084 0.0000000 0.4647456 0.0000000 -2.7941292 11 O -2.2728884 0.0000000 0.4347408 0.0000000 -2.8609084 0.0000000 0.4647456 0.0000000 -2.7941292 12 O -2.2728884 0.0000000 -0.4347408 0.0000000 -2.8609084 0.0000000 -0.4647456 0.0000000 -2.7941292 13 Pr 4.2365982 0.0000000 0.1046207 0.0000000 3.5579125 0.0000000 0.2887149 0.0000000 4.3347895 14 Pr 4.2365982 0.0000000 -0.1046207 0.0000000 3.5579125 0.0000000 -0.2887149 0.0000000 4.3347895 15 Pr 4.2365982 0.0000000 -0.1046207 0.0000000 3.5579125 0.0000000 -0.2887149 0.0000000 4.3347895 16 Pr 4.2365982 0.0000000 0.1046207 0.0000000 3.5579125 0.0000000 0.2887149 0.0000000 4.3347895 17 Lu 3.8112308 -0.1476401 -0.2325945 -0.1176665 3.7793807 -0.2392235 -0.0833588 -0.0895839 3.8087547 18 Lu 3.8112308 -0.1476401 0.2325945 -0.1176665 3.7793807 0.2392235 0.0833588 0.0895839 3.8087547 19 Lu 3.8112308 0.1476401 0.2325945 0.1176665 3.7793807 -0.2392235 0.0833588 -0.0895839 3.8087547 20 Lu 3.8112308 0.1476401 -0.2325945 0.1176665 3.7793807 0.2392235 -0.0833588 0.0895839 3.8087547 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (yzy) -0.00000006 (yzy) -0.00000006 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 307, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.581 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 6.134 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.460 ( 0.000 0.000 0.000) 0.000 6.763 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 7.409 ( 0.000 0.000 0.000) 0.000 7.855 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.683 ( 0.000 0.000 0.000) 0.000 9.242 ( 0.000 0.000 0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 10.010 ( 0.000 0.000 0.000) 0.000 10.088 ( 0.000 0.000 0.000) 0.000 10.823 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 11.328 ( 0.000 0.000 0.000) 0.000 11.874 ( 0.000 0.000 0.000) 0.000 12.466 ( 0.000 0.000 0.000) 0.000 12.476 ( 0.000 0.000 0.000) 0.000 12.504 ( 0.000 0.000 0.000) 0.000 12.805 ( 0.000 0.000 0.000) 0.000 13.201 ( 0.000 0.000 0.000) 0.000 13.641 ( 0.000 0.000 0.000) 0.000 13.694 ( 0.000 0.000 0.000) 0.000 13.956 ( 0.000 0.000 0.000) 0.000 14.318 ( 0.000 0.000 0.000) 0.000 14.320 ( 0.000 0.000 0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000 14.955 ( 0.000 0.000 0.000) 0.000 15.041 ( 0.000 0.000 0.000) 0.000 15.413 ( 0.000 0.000 0.000) 0.000 15.569 ( 0.000 0.000 0.000) 0.000 17.408 ( 0.000 0.000 0.000) 0.000 19.196 ( 0.000 0.000 0.000) 0.000 19.283 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 28.707 0.000 0.000) 28.707 0.662 ( 30.962 0.000 0.000) 30.962 1.199 ( 55.546 0.000 0.000) 55.546 2.209 ( 5.179 0.000 0.000) 5.179 2.468 ( -3.482 0.000 0.000) 3.482 2.755 ( -5.518 0.000 0.000) 5.518 2.813 ( 3.198 0.000 0.000) 3.198 3.048 ( -12.099 0.000 0.000) 12.099 3.218 ( -11.422 0.000 0.000) 11.422 3.301 ( -2.172 0.000 0.000) 2.172 3.307 ( 7.091 0.000 0.000) 7.091 3.432 ( -1.860 0.000 0.000) 1.860 3.454 ( -3.015 0.000 0.000) 3.015 3.582 ( -0.465 0.000 0.000) 0.465 3.906 ( 8.083 0.000 0.000) 8.083 4.203 ( 6.543 0.000 0.000) 6.543 4.326 ( -16.604 0.000 0.000) 16.604 4.398 ( 0.012 0.000 0.000) 0.012 4.695 ( 4.731 0.000 0.000) 4.731 5.029 ( -0.582 0.000 0.000) 0.582 5.033 ( 11.702 0.000 0.000) 11.702 5.092 ( 0.207 0.000 0.000) 0.207 5.575 ( -1.084 0.000 0.000) 1.084 5.605 ( -1.011 0.000 0.000) 1.011 6.246 ( 10.803 0.000 0.000) 10.803 6.256 ( 1.820 0.000 0.000) 1.820 6.540 ( -0.667 0.000 0.000) 0.667 6.659 ( -9.071 0.000 0.000) 9.071 6.801 ( -9.698 0.000 0.000) 9.698 7.914 ( -4.732 0.000 0.000) 4.732 7.971 ( 11.869 0.000 0.000) 11.869 8.022 ( -3.810 0.000 0.000) 3.810 8.614 ( -5.805 0.000 0.000) 5.805 9.205 ( -3.341 0.000 0.000) 3.341 9.943 ( 4.411 0.000 0.000) 4.411 9.945 ( -5.159 0.000 0.000) 5.159 10.014 ( -5.803 0.000 0.000) 5.803 10.179 ( 8.121 0.000 0.000) 8.121 10.948 ( 10.642 0.000 0.000) 10.642 11.217 ( -4.090 0.000 0.000) 4.090 11.658 ( -14.002 0.000 0.000) 14.002 12.157 ( -15.110 0.000 0.000) 15.110 12.404 ( -8.776 0.000 0.000) 8.776 12.654 ( -3.531 0.000 0.000) 3.531 12.759 ( 12.722 0.000 0.000) 12.722 12.982 ( 19.888 0.000 0.000) 19.888 13.229 ( 2.346 0.000 0.000) 2.346 13.716 ( 7.044 0.000 0.000) 7.044 13.762 ( 5.792 0.000 0.000) 5.792 14.257 ( 4.910 0.000 0.000) 4.910 14.334 ( 1.788 0.000 0.000) 1.788 14.524 ( 1.149 0.000 0.000) 1.149 14.883 ( -4.377 0.000 0.000) 4.377 15.101 ( 3.373 0.000 0.000) 3.373 15.369 ( -4.210 0.000 0.000) 4.210 15.544 ( -2.411 0.000 0.000) 2.411 17.466 ( 5.711 0.000 0.000) 5.711 18.380 ( 0.852 0.000 0.000) 0.852 19.152 ( -4.195 0.000 0.000) 4.195 19.231 ( -5.050 0.000 0.000) 5.050 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 24.570 0.000 0.000) 24.570 1.289 ( 27.990 0.000 0.000) 27.990 2.282 ( 41.923 0.000 0.000) 41.923 2.285 ( -1.200 0.000 0.000) 1.200 2.368 ( -3.696 0.000 0.000) 3.696 2.510 ( -14.137 0.000 0.000) 14.137 2.839 ( -4.284 0.000 0.000) 4.284 2.882 ( 2.707 0.000 0.000) 2.707 3.009 ( -3.958 0.000 0.000) 3.958 3.178 ( -9.242 0.000 0.000) 9.242 3.384 ( -2.531 0.000 0.000) 2.531 3.428 ( 1.263 0.000 0.000) 1.263 3.471 ( -1.851 0.000 0.000) 1.851 3.683 ( 16.952 0.000 0.000) 16.952 3.843 ( -21.713 0.000 0.000) 21.713 4.124 ( 11.938 0.000 0.000) 11.938 4.253 ( -11.623 0.000 0.000) 11.623 4.492 ( 12.184 0.000 0.000) 12.184 4.925 ( 14.575 0.000 0.000) 14.575 4.999 ( -2.500 0.000 0.000) 2.500 5.112 ( 1.368 0.000 0.000) 1.368 5.219 ( 6.423 0.000 0.000) 6.423 5.523 ( -6.305 0.000 0.000) 6.305 5.535 ( -2.795 0.000 0.000) 2.795 6.245 ( -6.012 0.000 0.000) 6.012 6.412 ( -13.916 0.000 0.000) 13.916 6.528 ( -0.291 0.000 0.000) 0.291 6.558 ( 17.417 0.000 0.000) 17.417 6.568 ( -8.806 0.000 0.000) 8.806 7.772 ( -8.524 0.000 0.000) 8.524 7.934 ( -3.749 0.000 0.000) 3.749 8.192 ( 3.925 0.000 0.000) 3.925 8.523 ( 1.633 0.000 0.000) 1.633 9.115 ( -4.924 0.000 0.000) 4.924 9.828 ( -5.517 0.000 0.000) 5.517 9.852 ( -8.748 0.000 0.000) 8.748 10.073 ( 7.742 0.000 0.000) 7.742 10.390 ( 10.598 0.000 0.000) 10.598 11.111 ( -5.154 0.000 0.000) 5.154 11.212 ( 13.263 0.000 0.000) 13.263 11.428 ( -6.874 0.000 0.000) 6.874 11.840 ( -14.992 0.000 0.000) 14.992 12.176 ( -11.820 0.000 0.000) 11.820 12.502 ( -9.481 0.000 0.000) 9.481 12.999 ( 9.858 0.000 0.000) 9.858 13.280 ( 2.023 0.000 0.000) 2.023 13.440 ( 20.958 0.000 0.000) 20.958 13.900 ( 6.382 0.000 0.000) 6.382 13.921 ( 11.784 0.000 0.000) 11.784 14.389 ( 7.219 0.000 0.000) 7.219 14.404 ( 4.942 0.000 0.000) 4.942 14.544 ( 0.424 0.000 0.000) 0.424 14.805 ( -2.931 0.000 0.000) 2.931 15.156 ( 1.812 0.000 0.000) 1.812 15.238 ( -8.169 0.000 0.000) 8.169 15.468 ( -4.717 0.000 0.000) 4.717 17.657 ( 12.473 0.000 0.000) 12.473 18.415 ( 2.732 0.000 0.000) 2.732 19.025 ( -7.590 0.000 0.000) 7.590 19.065 ( -10.748 0.000 0.000) 10.748 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 19.072 0.000 0.000) 19.072 1.786 ( 16.358 0.000 0.000) 16.358 2.129 ( -10.363 0.000 0.000) 10.363 2.213 ( -8.341 0.000 0.000) 8.341 2.312 ( -0.331 0.000 0.000) 0.331 2.707 ( 3.057 0.000 0.000) 3.057 2.887 ( -4.579 0.000 0.000) 4.579 2.907 ( -0.970 0.000 0.000) 0.970 2.951 ( -1.360 0.000 0.000) 1.360 3.262 ( 2.473 0.000 0.000) 2.473 3.347 ( -8.233 0.000 0.000) 8.233 3.409 ( -13.739 0.000 0.000) 13.739 3.504 ( 31.896 0.000 0.000) 31.896 3.536 ( 4.612 0.000 0.000) 4.612 3.984 ( -12.409 0.000 0.000) 12.409 4.083 ( 18.170 0.000 0.000) 18.170 4.365 ( 9.068 0.000 0.000) 9.068 4.613 ( -4.705 0.000 0.000) 4.705 4.929 ( -3.113 0.000 0.000) 3.113 5.106 ( -3.652 0.000 0.000) 3.652 5.245 ( 15.140 0.000 0.000) 15.140 5.365 ( 9.623 0.000 0.000) 9.623 5.395 ( -3.692 0.000 0.000) 3.692 5.465 ( -3.570 0.000 0.000) 3.570 5.965 ( -16.636 0.000 0.000) 16.636 6.085 ( -16.744 0.000 0.000) 16.744 6.508 ( 0.581 0.000 0.000) 0.581 6.528 ( 0.120 0.000 0.000) 0.120 6.932 ( 17.485 0.000 0.000) 17.485 7.558 ( -11.794 0.000 0.000) 11.794 7.893 ( 0.312 0.000 0.000) 0.312 8.100 ( -7.942 0.000 0.000) 7.942 8.701 ( 10.522 0.000 0.000) 10.522 9.007 ( -5.287 0.000 0.000) 5.287 9.694 ( -5.226 0.000 0.000) 5.226 9.721 ( -4.537 0.000 0.000) 4.537 10.257 ( 9.459 0.000 0.000) 9.459 10.542 ( 1.511 0.000 0.000) 1.511 11.067 ( 3.093 0.000 0.000) 3.093 11.373 ( 1.313 0.000 0.000) 1.313 11.449 ( 7.083 0.000 0.000) 7.083 11.530 ( -14.335 0.000 0.000) 14.335 11.972 ( -4.982 0.000 0.000) 4.982 12.278 ( -11.496 0.000 0.000) 11.496 13.170 ( 6.417 0.000 0.000) 6.417 13.302 ( -0.120 0.000 0.000) 0.120 13.807 ( 13.228 0.000 0.000) 13.228 14.001 ( 2.629 0.000 0.000) 2.629 14.177 ( 11.659 0.000 0.000) 11.659 14.488 ( -1.172 0.000 0.000) 1.172 14.546 ( 7.391 0.000 0.000) 7.391 14.584 ( 7.146 0.000 0.000) 7.146 14.754 ( -2.319 0.000 0.000) 2.319 15.033 ( -10.961 0.000 0.000) 10.961 15.187 ( 1.621 0.000 0.000) 1.621 15.354 ( -5.771 0.000 0.000) 5.771 17.985 ( 18.215 0.000 0.000) 18.215 18.503 ( 5.711 0.000 0.000) 5.711 18.778 ( -16.379 0.000 0.000) 16.379 18.845 ( -9.232 0.000 0.000) 9.232 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -5.379 0.000 0.000) 5.379 1.956 ( 5.379 0.000 0.000) 5.379 1.991 ( -13.192 0.000 0.000) 13.192 1.991 ( 13.192 0.000 0.000) 13.192 2.553 ( -17.780 0.000 0.000) 17.780 2.553 ( 17.780 0.000 0.000) 17.780 2.812 ( -6.955 0.000 0.000) 6.955 2.812 ( 6.955 0.000 0.000) 6.955 3.145 ( -10.524 0.000 0.000) 10.524 3.145 ( 10.524 0.000 0.000) 10.524 3.241 ( -0.998 0.000 0.000) 0.998 3.241 ( 0.998 0.000 0.000) 0.998 3.710 ( -10.058 0.000 0.000) 10.058 3.710 ( 10.058 0.000 0.000) 10.058 4.243 ( -28.304 0.000 0.000) 28.304 4.243 ( 28.304 0.000 0.000) 28.304 4.384 ( -8.513 0.000 0.000) 8.513 4.384 ( 8.513 0.000 0.000) 8.513 4.963 ( -6.975 0.000 0.000) 6.975 4.963 ( 6.975 0.000 0.000) 6.975 5.396 ( -2.540 0.000 0.000) 2.540 5.396 ( 2.540 0.000 0.000) 2.540 5.522 ( -6.644 0.000 0.000) 6.644 5.522 ( 6.644 0.000 0.000) 6.644 5.763 ( -8.258 0.000 0.000) 8.258 5.763 ( 8.258 0.000 0.000) 8.258 6.525 ( -0.549 0.000 0.000) 0.549 6.525 ( 0.549 0.000 0.000) 0.549 7.276 ( -14.976 0.000 0.000) 14.976 7.276 ( 14.976 0.000 0.000) 14.976 7.953 ( -5.289 0.000 0.000) 5.289 7.953 ( 5.289 0.000 0.000) 5.289 8.884 ( -6.798 0.000 0.000) 6.798 8.884 ( 6.798 0.000 0.000) 6.798 9.653 ( -1.224 0.000 0.000) 1.224 9.653 ( 1.224 0.000 0.000) 1.224 10.451 ( -8.182 0.000 0.000) 8.182 10.451 ( 8.182 0.000 0.000) 8.182 11.246 ( -12.146 0.000 0.000) 12.146 11.246 ( 12.146 0.000 0.000) 12.146 11.451 ( -4.603 0.000 0.000) 4.603 11.451 ( 4.603 0.000 0.000) 4.603 12.042 ( -9.703 0.000 0.000) 9.703 12.042 ( 9.703 0.000 0.000) 9.703 13.269 ( -3.040 0.000 0.000) 3.040 13.269 ( 3.040 0.000 0.000) 3.040 13.989 ( -4.227 0.000 0.000) 4.227 13.989 ( 4.227 0.000 0.000) 4.227 14.385 ( -7.715 0.000 0.000) 7.715 14.385 ( 7.715 0.000 0.000) 7.715 14.681 ( -5.027 0.000 0.000) 5.027 14.681 ( 5.027 0.000 0.000) 5.027 14.793 ( -11.338 0.000 0.000) 11.338 14.793 ( 11.338 0.000 0.000) 11.338 15.245 ( -4.146 0.000 0.000) 4.146 15.245 ( 4.146 0.000 0.000) 4.146 18.392 ( -19.646 0.000 0.000) 19.646 18.392 ( 19.646 0.000 0.000) 19.646 18.654 ( -8.442 0.000 0.000) 8.442 18.654 ( 8.442 0.000 0.000) 8.442 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 28.205 0.000) 28.205 0.629 ( 0.000 30.650 0.000) 30.650 1.035 ( 0.000 48.388 0.000) 48.388 2.156 ( 0.000 -0.876 0.000) 0.876 2.290 ( 0.000 -10.934 0.000) 10.934 2.766 ( 0.000 -18.685 0.000) 18.685 2.853 ( 0.000 7.552 0.000) 7.552 3.157 ( 0.000 -20.151 0.000) 20.151 3.273 ( 0.000 2.279 0.000) 2.279 3.295 ( 0.000 -0.300 0.000) 0.300 3.400 ( 0.000 6.874 0.000) 6.874 3.471 ( 0.000 3.316 0.000) 3.316 3.559 ( 0.000 13.084 0.000) 13.084 3.870 ( 0.000 3.319 0.000) 3.319 4.052 ( 0.000 -3.013 0.000) 3.013 4.259 ( 0.000 19.125 0.000) 19.125 4.298 ( 0.000 -4.434 0.000) 4.434 4.413 ( 0.000 -20.841 0.000) 20.841 4.434 ( 0.000 2.243 0.000) 2.243 4.671 ( 0.000 -6.988 0.000) 6.988 5.211 ( 0.000 11.400 0.000) 11.400 5.521 ( 0.000 -3.962 0.000) 3.962 5.567 ( 0.000 -3.083 0.000) 3.083 5.733 ( 0.000 12.928 0.000) 12.928 6.173 ( 0.000 -5.785 0.000) 5.785 6.460 ( 0.000 0.109 0.000) 0.109 6.702 ( 0.000 -5.268 0.000) 5.268 6.823 ( 0.000 -8.028 0.000) 8.028 7.303 ( 0.000 2.788 0.000) 2.788 7.431 ( 0.000 1.590 0.000) 1.590 7.877 ( 0.000 2.712 0.000) 2.712 7.977 ( 0.000 1.057 0.000) 1.057 8.056 ( 0.000 -0.836 0.000) 0.836 8.617 ( 0.000 -6.350 0.000) 6.350 9.276 ( 0.000 3.401 0.000) 3.401 9.889 ( 0.000 -4.117 0.000) 4.117 10.074 ( 0.000 9.428 0.000) 9.428 10.827 ( 0.000 -0.025 0.000) 0.025 11.208 ( 0.000 -1.376 0.000) 1.376 11.477 ( 0.000 10.566 0.000) 10.566 11.757 ( 0.000 -9.942 0.000) 9.942 12.447 ( 0.000 -1.687 0.000) 1.687 12.476 ( 0.000 -9.758 0.000) 9.758 12.478 ( 0.000 -1.589 0.000) 1.589 12.641 ( 0.000 15.008 0.000) 15.008 13.059 ( 0.000 18.056 0.000) 18.056 13.633 ( 0.000 2.725 0.000) 2.725 13.742 ( 0.000 4.359 0.000) 4.359 13.934 ( 0.000 -2.144 0.000) 2.144 14.266 ( 0.000 -5.431 0.000) 5.431 14.341 ( 0.000 1.931 0.000) 1.931 14.430 ( 0.000 -7.673 0.000) 7.673 14.904 ( 0.000 -4.710 0.000) 4.710 15.001 ( 0.000 -3.713 0.000) 3.713 15.424 ( 0.000 1.067 0.000) 1.067 15.559 ( 0.000 -0.988 0.000) 0.988 16.848 ( 0.000 3.045 0.000) 3.045 17.360 ( 0.000 -4.633 0.000) 4.633 19.186 ( 0.000 -0.958 0.000) 0.958 19.257 ( 0.000 -2.375 0.000) 2.375 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 17.850 15.866 0.000) 23.882 0.888 ( 20.739 18.805 0.000) 27.995 1.579 ( 41.468 31.183 0.000) 51.884 2.187 ( 2.768 -3.214 0.000) 4.242 2.258 ( -2.997 -12.832 0.000) 13.177 2.684 ( -7.152 -12.074 0.000) 14.033 2.873 ( 1.391 4.696 0.000) 4.897 3.094 ( -12.201 3.953 0.000) 12.825 3.135 ( -1.878 -19.540 0.000) 19.630 3.299 ( -2.668 -1.254 0.000) 2.948 3.345 ( -12.978 13.627 0.000) 18.818 3.477 ( 0.830 5.968 0.000) 6.026 3.501 ( 8.939 7.751 0.000) 11.832 3.928 ( 4.013 0.295 0.000) 4.023 3.934 ( -12.803 21.237 0.000) 24.798 4.174 ( -7.822 -6.309 0.000) 10.050 4.196 ( 5.449 -6.643 0.000) 8.592 4.315 ( -1.136 -3.337 0.000) 3.525 4.658 ( 9.956 -0.241 0.000) 9.959 4.849 ( 10.191 -10.321 0.000) 14.505 5.216 ( 0.229 10.617 0.000) 10.619 5.355 ( -8.650 10.108 0.000) 13.304 5.573 ( -0.928 -3.279 0.000) 3.408 5.704 ( -2.702 11.096 0.000) 11.420 6.185 ( -6.302 -0.789 0.000) 6.352 6.200 ( 2.159 -5.550 0.000) 5.956 6.540 ( -2.716 -1.219 0.000) 2.977 6.711 ( -10.186 -8.342 0.000) 13.166 6.874 ( -4.539 16.026 0.000) 16.657 7.924 ( 10.557 -5.988 0.000) 12.137 7.931 ( -4.297 1.472 0.000) 4.542 8.017 ( -3.514 -0.470 0.000) 3.545 8.487 ( 4.573 -11.016 0.000) 11.928 9.015 ( 37.693 -30.133 0.000) 48.257 9.234 ( -3.597 3.070 0.000) 4.729 9.845 ( -3.997 -5.892 0.000) 7.119 10.110 ( 3.889 12.013 0.000) 12.627 10.943 ( 9.923 -0.927 0.000) 9.966 10.960 ( -18.127 17.124 0.000) 24.936 11.305 ( -7.045 9.736 0.000) 12.017 11.634 ( -9.179 -2.760 0.000) 9.585 12.221 ( -13.909 4.798 0.000) 14.713 12.392 ( -8.699 -1.046 0.000) 8.761 12.505 ( -1.568 -11.461 0.000) 11.568 12.830 ( 11.441 8.070 0.000) 14.000 13.213 ( 14.110 16.971 0.000) 22.070 13.499 ( -11.718 17.089 0.000) 20.721 13.751 ( 4.325 3.409 0.000) 5.507 13.806 ( 5.413 3.913 0.000) 6.679 14.230 ( 4.296 -2.828 0.000) 5.143 14.352 ( 1.344 0.873 0.000) 1.602 14.449 ( 1.543 -6.660 0.000) 6.836 14.844 ( -3.796 -3.576 0.000) 5.215 15.053 ( 3.125 -4.507 0.000) 5.485 15.361 ( -4.217 -0.260 0.000) 4.225 15.531 ( -2.695 -1.348 0.000) 3.013 17.415 ( 6.374 -4.982 0.000) 8.090 17.734 ( 33.959 -35.723 0.000) 49.289 19.140 ( -4.322 -1.064 0.000) 4.451 19.204 ( -5.057 -2.381 0.000) 5.590 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 18.143 2.189 0.000) 18.274 1.376 ( 23.884 7.653 0.000) 25.080 2.125 ( -7.216 -14.322 0.000) 16.037 2.253 ( 2.486 -4.584 0.000) 5.215 2.484 ( 12.542 2.948 0.000) 12.884 2.529 ( 18.505 10.931 0.000) 21.492 2.833 ( -9.982 -0.281 0.000) 9.986 2.894 ( -0.173 1.192 0.000) 1.204 3.085 ( -2.738 -16.807 0.000) 17.029 3.134 ( -4.438 8.087 0.000) 9.225 3.169 ( -9.674 -1.307 0.000) 9.762 3.541 ( 4.388 10.474 0.000) 11.356 3.692 ( -11.722 9.701 0.000) 15.216 3.750 ( -15.384 -5.930 0.000) 16.487 3.789 ( 17.456 9.220 0.000) 19.742 4.192 ( 10.648 4.504 0.000) 11.562 4.255 ( -4.353 3.275 0.000) 5.447 4.463 ( 12.798 -2.093 0.000) 12.968 4.876 ( 11.442 -3.792 0.000) 12.054 5.022 ( 5.567 -3.025 0.000) 6.336 5.208 ( -0.898 4.665 0.000) 4.750 5.260 ( -1.815 9.062 0.000) 9.242 5.501 ( -5.214 -1.997 0.000) 5.584 5.627 ( -4.279 7.614 0.000) 8.734 6.149 ( -2.947 -12.490 0.000) 12.833 6.209 ( -4.968 -3.618 0.000) 6.146 6.454 ( -10.238 -10.643 0.000) 14.768 6.482 ( -2.987 -2.944 0.000) 4.194 6.876 ( 5.794 17.368 0.000) 18.309 7.802 ( -7.771 2.555 0.000) 8.180 7.930 ( -3.964 -0.308 0.000) 3.976 8.082 ( 1.764 -10.630 0.000) 10.775 8.560 ( 6.899 4.073 0.000) 8.012 9.143 ( -4.755 2.940 0.000) 5.591 9.500 ( 10.488 -21.180 0.000) 23.635 9.746 ( -4.889 -6.471 0.000) 8.110 10.234 ( 7.495 13.593 0.000) 15.522 10.708 ( -4.974 17.548 0.000) 18.239 11.185 ( -4.420 6.550 0.000) 7.902 11.195 ( 13.026 -2.030 0.000) 13.183 11.459 ( -6.243 2.882 0.000) 6.876 11.916 ( -14.924 6.534 0.000) 16.292 12.161 ( -12.259 -1.263 0.000) 12.324 12.391 ( -8.323 -9.941 0.000) 12.965 13.054 ( 9.500 6.017 0.000) 11.246 13.388 ( -1.471 10.020 0.000) 10.128 13.562 ( 16.743 10.298 0.000) 19.657 13.930 ( 11.066 0.843 0.000) 11.098 13.934 ( 5.951 3.006 0.000) 6.667 14.362 ( 7.300 -2.680 0.000) 7.776 14.402 ( 2.959 -2.509 0.000) 3.880 14.488 ( 2.435 -3.316 0.000) 4.114 14.776 ( -2.424 -2.393 0.000) 3.406 15.108 ( 2.039 -4.571 0.000) 5.005 15.239 ( -7.517 0.240 0.000) 7.520 15.449 ( -4.911 -1.893 0.000) 5.263 17.616 ( 12.894 -3.688 0.000) 13.411 18.158 ( 12.153 -21.028 0.000) 24.287 19.008 ( -8.071 -1.596 0.000) 8.227 19.039 ( -10.725 -2.365 0.000) 10.982 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 12.193 -8.041 0.000) 14.606 1.803 ( 9.102 0.207 0.000) 9.105 1.982 ( 1.773 -11.941 0.000) 12.071 2.249 ( -2.458 6.178 0.000) 6.649 2.423 ( 0.265 2.121 0.000) 2.137 2.727 ( -1.523 -12.112 0.000) 12.208 2.796 ( -2.167 8.357 0.000) 8.633 2.880 ( -2.124 -0.690 0.000) 2.234 2.926 ( -10.183 -2.251 0.000) 10.429 3.018 ( -4.052 -18.542 0.000) 18.980 3.372 ( -12.984 -3.667 0.000) 13.492 3.429 ( -12.072 1.333 0.000) 12.146 3.581 ( 36.923 10.673 0.000) 38.435 3.745 ( 8.674 17.663 0.000) 19.678 4.100 ( 0.440 12.681 0.000) 12.689 4.210 ( 10.795 9.458 0.000) 14.352 4.427 ( 9.512 5.097 0.000) 10.791 4.633 ( 0.339 1.860 0.000) 1.890 4.993 ( -7.848 6.327 0.000) 10.081 5.089 ( 2.541 -4.226 0.000) 4.931 5.234 ( 3.259 -1.088 0.000) 3.436 5.278 ( 8.520 -6.990 0.000) 11.020 5.425 ( -0.240 3.120 0.000) 3.129 5.550 ( -2.113 6.630 0.000) 6.959 5.912 ( -17.917 -5.218 0.000) 18.661 5.978 ( -12.411 -8.390 0.000) 14.981 6.396 ( 0.926 -10.113 0.000) 10.155 6.436 ( -1.226 -6.696 0.000) 6.807 7.089 ( 12.686 12.000 0.000) 17.463 7.608 ( -10.570 4.251 0.000) 11.393 7.878 ( -0.534 -1.377 0.000) 1.477 8.020 ( -5.432 -7.589 0.000) 9.333 8.757 ( 9.713 5.537 0.000) 11.180 9.041 ( -4.916 3.485 0.000) 6.026 9.581 ( 0.166 -9.507 0.000) 9.508 9.652 ( -3.870 -6.060 0.000) 7.191 10.411 ( 8.948 13.814 0.000) 16.459 10.681 ( -0.860 11.794 0.000) 11.826 11.148 ( 2.213 7.014 0.000) 7.355 11.403 ( 1.213 2.634 0.000) 2.900 11.439 ( 7.451 -1.289 0.000) 7.562 11.607 ( -13.344 6.577 0.000) 14.877 11.931 ( -7.402 -3.636 0.000) 8.247 12.184 ( -10.884 -8.767 0.000) 13.976 13.222 ( 6.396 5.464 0.000) 8.412 13.368 ( -1.124 6.664 0.000) 6.758 13.861 ( 11.047 4.502 0.000) 11.929 14.028 ( 2.409 2.230 0.000) 3.283 14.169 ( 10.603 -0.630 0.000) 10.622 14.425 ( -1.329 -6.099 0.000) 6.242 14.514 ( 6.793 -3.115 0.000) 7.473 14.586 ( 6.397 -0.434 0.000) 6.411 14.743 ( -0.549 -0.248 0.000) 0.603 15.050 ( -10.091 1.701 0.000) 10.234 15.148 ( 2.196 -3.744 0.000) 4.340 15.332 ( -5.918 -2.180 0.000) 6.307 17.952 ( 18.525 -2.879 0.000) 18.748 18.375 ( 9.679 -11.452 0.000) 14.994 18.751 ( -16.388 -2.389 0.000) 16.561 18.812 ( -10.358 -3.014 0.000) 10.788 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -7.148 -11.415 0.000) 13.468 1.720 ( 7.148 -11.415 0.000) 13.468 2.183 ( -5.616 6.369 0.000) 8.492 2.183 ( 5.616 6.369 0.000) 8.492 2.537 ( -11.417 -1.150 0.000) 11.475 2.537 ( 11.417 -1.150 0.000) 11.475 2.819 ( -4.319 -0.250 0.000) 4.327 2.819 ( 4.319 -0.250 0.000) 4.327 2.913 ( -5.572 -14.624 0.000) 15.650 2.913 ( 5.572 -14.624 0.000) 15.650 3.248 ( -2.662 -1.544 0.000) 3.078 3.248 ( 2.662 -1.544 0.000) 3.078 3.926 ( -7.233 17.581 0.000) 19.011 3.926 ( 7.233 17.581 0.000) 19.011 4.336 ( -25.892 9.558 0.000) 27.599 4.336 ( 25.892 9.558 0.000) 27.599 4.471 ( -8.114 7.521 0.000) 11.064 4.471 ( 8.114 7.521 0.000) 11.064 4.960 ( -6.869 -0.992 0.000) 6.940 4.960 ( 6.869 -0.992 0.000) 6.940 5.381 ( -2.358 -3.831 0.000) 4.499 5.381 ( 2.358 -3.831 0.000) 4.499 5.524 ( -8.986 0.910 0.000) 9.032 5.524 ( 8.986 0.910 0.000) 9.032 5.704 ( -9.131 -4.363 0.000) 10.120 5.704 ( 9.131 -4.363 0.000) 10.120 6.418 ( -0.870 -9.187 0.000) 9.228 6.418 ( 0.870 -9.187 0.000) 9.228 7.362 ( -12.667 7.168 0.000) 14.554 7.362 ( 12.667 7.168 0.000) 14.554 7.914 ( -3.801 -3.710 0.000) 5.311 7.914 ( 3.801 -3.710 0.000) 5.311 8.927 ( -6.362 4.290 0.000) 7.673 8.927 ( 6.362 4.290 0.000) 7.673 9.592 ( -1.626 -5.816 0.000) 6.039 9.592 ( 1.626 -5.816 0.000) 6.039 10.590 ( -7.360 12.885 0.000) 14.839 10.590 ( 7.360 12.885 0.000) 14.839 11.301 ( -11.261 4.727 0.000) 12.213 11.301 ( 11.261 4.727 0.000) 12.213 11.486 ( -4.986 3.197 0.000) 5.923 11.486 ( 4.986 3.197 0.000) 5.923 11.960 ( -8.943 -7.875 0.000) 11.917 11.960 ( 8.943 -7.875 0.000) 11.917 13.324 ( -3.325 5.605 0.000) 6.516 13.324 ( 3.325 5.605 0.000) 6.516 14.017 ( -3.798 2.206 0.000) 4.392 14.017 ( 3.798 2.206 0.000) 4.392 14.348 ( -6.099 -3.443 0.000) 7.004 14.348 ( 6.099 -3.443 0.000) 7.004 14.629 ( -3.321 -4.478 0.000) 5.575 14.629 ( 3.321 -4.478 0.000) 5.575 14.835 ( -9.430 3.510 0.000) 10.063 14.835 ( 9.430 3.510 0.000) 10.063 15.217 ( -4.555 -2.692 0.000) 5.291 15.217 ( 4.555 -2.692 0.000) 5.291 18.364 ( -19.780 -2.467 0.000) 19.933 18.364 ( 19.780 -2.467 0.000) 19.933 18.588 ( -10.591 -6.070 0.000) 12.207 18.588 ( 10.591 -6.070 0.000) 12.207 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 0.000 26.666 0.000) 26.666 1.229 ( 0.000 28.616 0.000) 28.616 1.850 ( 0.000 26.582 0.000) 26.582 2.022 ( 0.000 -13.457 0.000) 13.457 2.123 ( 0.000 -3.868 0.000) 3.868 2.354 ( 0.000 -20.412 0.000) 20.412 2.836 ( 0.000 -6.635 0.000) 6.635 3.062 ( 0.000 12.226 0.000) 12.226 3.271 ( 0.000 0.085 0.000) 0.085 3.344 ( 0.000 5.000 0.000) 5.000 3.392 ( 0.000 -9.638 0.000) 9.638 3.656 ( 0.000 9.926 0.000) 9.926 3.812 ( 0.000 11.640 0.000) 11.640 3.886 ( 0.000 -6.505 0.000) 6.505 3.967 ( 0.000 -5.093 0.000) 5.093 4.035 ( 0.000 -8.225 0.000) 8.225 4.182 ( 0.000 -6.783 0.000) 6.783 4.467 ( 0.000 -12.898 0.000) 12.898 4.545 ( 0.000 8.666 0.000) 8.666 4.601 ( 0.000 12.869 0.000) 12.869 5.416 ( 0.000 -5.377 0.000) 5.377 5.459 ( 0.000 13.338 0.000) 13.338 5.476 ( 0.000 -5.618 0.000) 5.618 6.000 ( 0.000 -11.125 0.000) 11.125 6.032 ( 0.000 15.501 0.000) 15.501 6.469 ( 0.000 0.885 0.000) 0.885 6.588 ( 0.000 -5.289 0.000) 5.289 6.610 ( 0.000 -12.426 0.000) 12.426 7.363 ( 0.000 2.902 0.000) 2.902 7.446 ( 0.000 -0.469 0.000) 0.469 7.988 ( 0.000 8.499 0.000) 8.499 8.000 ( 0.000 1.080 0.000) 1.080 8.037 ( 0.000 -0.949 0.000) 0.949 8.439 ( 0.000 -10.827 0.000) 10.827 9.382 ( 0.000 7.047 0.000) 7.047 9.746 ( 0.000 -9.046 0.000) 9.046 10.343 ( 0.000 15.232 0.000) 15.232 10.791 ( 0.000 -4.426 0.000) 4.426 11.230 ( 0.000 3.525 0.000) 3.525 11.537 ( 0.000 -10.746 0.000) 10.746 11.721 ( 0.000 13.171 0.000) 13.171 12.257 ( 0.000 -12.040 0.000) 12.040 12.411 ( 0.000 -1.490 0.000) 1.490 12.437 ( 0.000 -2.236 0.000) 2.236 13.049 ( 0.000 23.860 0.000) 23.860 13.446 ( 0.000 19.213 0.000) 19.213 13.707 ( 0.000 4.431 0.000) 4.431 13.807 ( 0.000 -2.015 0.000) 2.015 13.873 ( 0.000 -3.860 0.000) 3.860 14.100 ( 0.000 -10.971 0.000) 10.971 14.251 ( 0.000 -6.465 0.000) 6.465 14.366 ( 0.000 -0.743 0.000) 0.743 14.803 ( 0.000 -3.763 0.000) 3.763 14.904 ( 0.000 -5.535 0.000) 5.535 15.454 ( 0.000 1.786 0.000) 1.786 15.531 ( 0.000 -1.709 0.000) 1.709 16.938 ( 0.000 5.820 0.000) 5.820 17.233 ( 0.000 -7.440 0.000) 7.440 19.166 ( 0.000 -0.744 0.000) 0.744 19.202 ( 0.000 -2.584 0.000) 2.584 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 5.505 21.654 0.000) 22.343 1.318 ( 8.299 22.272 0.000) 23.768 1.995 ( -1.307 -5.815 0.000) 5.960 2.019 ( 0.059 -14.201 0.000) 14.201 2.208 ( 19.498 13.126 0.000) 23.504 2.403 ( 2.331 -11.937 0.000) 12.162 2.839 ( 1.740 -1.415 0.000) 2.243 2.969 ( -6.610 5.668 0.000) 8.707 3.197 ( -11.225 2.348 0.000) 11.468 3.286 ( -1.799 3.818 0.000) 4.221 3.506 ( 10.021 -7.425 0.000) 12.472 3.636 ( -11.486 12.566 0.000) 17.024 3.680 ( 1.031 6.476 0.000) 6.558 3.817 ( -4.587 -5.870 0.000) 7.449 4.048 ( -12.035 -6.631 0.000) 13.741 4.049 ( 6.802 -2.172 0.000) 7.140 4.154 ( 11.962 0.653 0.000) 11.980 4.481 ( -2.389 15.700 0.000) 15.881 4.603 ( 10.549 -14.012 0.000) 17.539 4.712 ( 5.980 4.738 0.000) 7.630 5.374 ( -3.062 -4.390 0.000) 5.353 5.466 ( 0.326 13.938 0.000) 13.941 5.468 ( -1.327 -6.806 0.000) 6.935 5.956 ( -5.772 10.989 0.000) 12.412 6.037 ( 2.047 -8.614 0.000) 8.854 6.257 ( -13.078 6.280 0.000) 14.508 6.489 ( -4.636 -3.836 0.000) 6.017 6.496 ( -10.578 -12.181 0.000) 16.133 7.181 ( -2.623 13.817 0.000) 14.064 7.706 ( 7.891 -13.503 0.000) 15.639 7.962 ( -3.483 1.495 0.000) 3.790 8.005 ( -3.035 -0.709 0.000) 3.116 8.370 ( 19.509 0.956 0.000) 19.532 8.664 ( 23.182 -11.330 0.000) 25.802 9.335 ( -3.986 6.856 0.000) 7.931 9.693 ( -4.382 -8.930 0.000) 9.947 10.405 ( 5.550 15.934 0.000) 16.872 10.885 ( 8.337 -5.476 0.000) 9.975 11.136 ( -7.870 6.044 0.000) 9.923 11.410 ( -9.004 -4.299 0.000) 9.977 11.683 ( -3.338 11.322 0.000) 11.804 12.249 ( -2.171 -13.640 0.000) 13.812 12.290 ( -9.459 1.863 0.000) 9.641 12.364 ( -7.805 -1.809 0.000) 8.012 13.121 ( 6.093 20.126 0.000) 21.028 13.558 ( 9.043 16.086 0.000) 18.453 13.715 ( -1.348 5.665 0.000) 5.824 13.831 ( -0.368 3.248 0.000) 3.268 13.854 ( 3.995 -3.422 0.000) 5.261 14.129 ( 4.998 -7.528 0.000) 9.037 14.256 ( 0.696 -5.244 0.000) 5.290 14.394 ( 2.471 -1.316 0.000) 2.800 14.774 ( -1.863 -1.884 0.000) 2.649 14.935 ( 2.256 -6.679 0.000) 7.050 15.377 ( -5.260 1.953 0.000) 5.611 15.491 ( -3.612 -2.549 0.000) 4.421 17.262 ( 18.834 -7.618 0.000) 20.316 17.334 ( 12.920 -8.070 0.000) 15.233 19.117 ( -4.615 -0.884 0.000) 4.699 19.150 ( -5.033 -2.556 0.000) 5.645 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 6.657 11.527 0.000) 13.311 1.559 ( 13.840 9.751 0.000) 16.930 1.889 ( -6.740 -8.407 0.000) 10.775 2.040 ( 2.099 -16.499 0.000) 16.632 2.359 ( -0.462 -6.319 0.000) 6.335 2.595 ( 4.911 -17.092 0.000) 17.783 2.819 ( -7.835 1.660 0.000) 8.009 2.973 ( -7.936 1.726 0.000) 8.122 3.089 ( 19.528 24.909 0.000) 31.652 3.157 ( -9.946 3.192 0.000) 10.446 3.373 ( -3.437 11.848 0.000) 12.336 3.524 ( -12.260 -9.143 0.000) 15.294 3.712 ( -14.402 -4.280 0.000) 15.025 3.910 ( 19.502 -3.223 0.000) 19.767 3.913 ( 10.061 16.838 0.000) 19.614 4.252 ( 11.721 0.611 0.000) 11.737 4.446 ( 14.267 1.588 0.000) 14.355 4.466 ( 0.369 15.925 0.000) 15.929 4.820 ( 4.821 -1.030 0.000) 4.930 4.841 ( 11.434 -12.434 0.000) 16.892 5.304 ( -4.316 -3.635 0.000) 5.643 5.425 ( -1.909 -7.052 0.000) 7.305 5.438 ( -4.628 15.355 0.000) 16.037 5.799 ( -7.538 8.840 0.000) 11.618 6.064 ( -6.909 4.690 0.000) 8.351 6.090 ( 1.776 -9.413 0.000) 9.579 6.187 ( -17.353 -13.427 0.000) 21.941 6.389 ( -4.991 -6.353 0.000) 8.079 7.205 ( 4.329 15.272 0.000) 15.873 7.809 ( 2.314 -15.049 0.000) 15.226 7.857 ( -6.388 2.560 0.000) 6.882 7.921 ( -4.443 -0.696 0.000) 4.497 8.687 ( 12.858 8.130 0.000) 15.212 9.139 ( 16.950 -14.829 0.000) 22.521 9.239 ( -4.609 6.643 0.000) 8.085 9.590 ( -4.928 -8.832 0.000) 10.113 10.559 ( 8.680 17.357 0.000) 19.406 10.978 ( -5.177 10.442 0.000) 11.655 11.107 ( 12.007 -7.281 0.000) 14.042 11.268 ( -3.411 -1.121 0.000) 3.590 11.584 ( -5.674 10.840 0.000) 12.235 12.044 ( -13.530 4.976 0.000) 14.416 12.136 ( -12.916 -1.088 0.000) 12.962 12.145 ( -7.390 -13.722 0.000) 15.586 13.269 ( 7.294 15.531 0.000) 17.158 13.620 ( -3.379 11.120 0.000) 11.622 13.770 ( 8.280 7.499 0.000) 11.171 13.947 ( 4.270 -6.169 0.000) 7.503 13.967 ( 10.457 4.051 0.000) 11.215 14.276 ( 7.694 -5.970 0.000) 9.739 14.283 ( 1.690 -3.086 0.000) 3.518 14.461 ( 3.645 -2.578 0.000) 4.465 14.749 ( -0.072 1.208 0.000) 1.210 14.984 ( 2.426 -7.221 0.000) 7.617 15.257 ( -6.411 1.838 0.000) 6.669 15.393 ( -5.404 -3.545 0.000) 6.463 17.538 ( 14.529 -2.910 0.000) 14.818 17.754 ( 18.980 -16.178 0.000) 24.939 18.972 ( -9.164 -1.578 0.000) 9.299 18.986 ( -10.552 -2.381 0.000) 10.817 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 5.584 3.449 0.000) 6.563 1.733 ( -7.450 -3.439 0.000) 8.206 1.863 ( 13.797 -2.977 0.000) 14.114 2.098 ( 2.660 -19.657 0.000) 19.836 2.407 ( 5.588 -1.942 0.000) 5.916 2.613 ( -0.306 -16.889 0.000) 16.892 2.665 ( -5.795 4.926 0.000) 7.606 2.858 ( -7.755 -4.095 0.000) 8.769 2.930 ( -6.699 6.014 0.000) 9.003 3.026 ( -9.357 11.341 0.000) 14.702 3.266 ( -10.656 -6.882 0.000) 12.685 3.377 ( -13.715 -5.339 0.000) 14.718 3.913 ( 34.095 19.678 0.000) 39.366 4.139 ( 10.470 19.271 0.000) 21.932 4.362 ( 19.977 6.165 0.000) 20.906 4.456 ( -1.952 17.204 0.000) 17.314 4.512 ( 12.048 1.722 0.000) 12.171 4.691 ( 7.541 4.456 0.000) 8.759 4.935 ( 5.225 -9.352 0.000) 10.712 5.074 ( 9.594 -9.617 0.000) 13.585 5.178 ( -5.866 -3.608 0.000) 6.887 5.202 ( -16.844 10.647 0.000) 19.926 5.404 ( -0.783 -8.480 0.000) 8.516 5.708 ( -2.159 7.184 0.000) 7.502 5.753 ( -19.512 -9.089 0.000) 21.525 5.912 ( -7.821 4.859 0.000) 9.207 6.154 ( 2.388 -12.654 0.000) 12.877 6.284 ( -4.609 -8.553 0.000) 9.716 7.341 ( 7.987 12.453 0.000) 14.795 7.701 ( -8.197 4.529 0.000) 9.365 7.822 ( -0.477 -11.203 0.000) 11.213 7.841 ( -2.741 -2.338 0.000) 3.602 8.915 ( 8.622 9.582 0.000) 12.890 9.148 ( -4.147 6.993 0.000) 8.130 9.362 ( 5.558 -11.559 0.000) 12.826 9.499 ( -3.598 -8.748 0.000) 9.459 10.753 ( 9.296 18.658 0.000) 20.845 10.948 ( 1.158 13.517 0.000) 13.566 11.271 ( 3.138 2.073 0.000) 3.761 11.360 ( 10.728 -7.709 0.000) 13.210 11.484 ( -2.087 6.778 0.000) 7.092 11.744 ( -13.743 5.817 0.000) 14.924 11.858 ( -12.515 -2.749 0.000) 12.813 11.956 ( -10.140 -12.936 0.000) 16.437 13.408 ( 5.657 13.138 0.000) 14.304 13.562 ( -2.389 11.857 0.000) 12.095 13.921 ( 5.847 -0.863 0.000) 5.910 14.013 ( 1.651 -7.557 0.000) 7.735 14.180 ( 8.441 3.010 0.000) 8.962 14.314 ( 0.864 -0.951 0.000) 1.285 14.423 ( 5.962 -5.801 0.000) 8.318 14.527 ( 1.887 -5.354 0.000) 5.676 14.788 ( 4.140 4.693 0.000) 6.258 15.044 ( 3.521 -6.274 0.000) 7.195 15.102 ( -8.264 3.352 0.000) 8.918 15.269 ( -6.274 -3.940 0.000) 7.409 17.899 ( 19.232 -1.385 0.000) 19.282 18.116 ( 16.085 -12.269 0.000) 20.230 18.702 ( -16.169 -1.919 0.000) 16.282 18.740 ( -12.850 -3.488 0.000) 13.315 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -6.464 -0.336 0.000) 6.473 1.583 ( 6.464 -0.336 0.000) 6.473 2.087 ( -5.611 -15.907 0.000) 16.868 2.087 ( 5.611 -15.907 0.000) 16.868 2.551 ( -6.446 2.460 0.000) 6.899 2.551 ( 6.446 2.460 0.000) 6.899 2.660 ( -6.219 -5.826 0.000) 8.521 2.660 ( 6.219 -5.826 0.000) 8.521 2.902 ( -1.657 5.585 0.000) 5.825 2.902 ( 1.657 5.585 0.000) 5.825 3.176 ( -3.698 -5.340 0.000) 6.495 3.176 ( 3.698 -5.340 0.000) 6.495 4.320 ( -5.232 19.792 0.000) 20.472 4.320 ( 5.232 19.792 0.000) 20.472 4.604 ( -18.479 14.570 0.000) 23.532 4.604 ( 18.479 14.570 0.000) 23.532 4.657 ( -8.826 11.147 0.000) 14.218 4.657 ( 8.826 11.147 0.000) 14.218 4.898 ( -3.602 -5.065 0.000) 6.215 4.898 ( 3.602 -5.065 0.000) 6.215 5.224 ( -3.191 -10.459 0.000) 10.935 5.224 ( 3.191 -10.459 0.000) 10.935 5.397 ( -5.813 -13.566 0.000) 14.759 5.397 ( 5.813 -13.566 0.000) 14.759 5.762 ( -5.321 9.324 0.000) 10.736 5.762 ( 5.321 9.324 0.000) 10.736 6.206 ( -2.859 -11.112 0.000) 11.474 6.206 ( 2.859 -11.112 0.000) 11.474 7.521 ( -8.774 8.014 0.000) 11.883 7.521 ( 8.774 8.014 0.000) 11.883 7.812 ( -0.061 -6.092 0.000) 6.093 7.812 ( 0.061 -6.092 0.000) 6.093 9.055 ( -5.090 8.119 0.000) 9.583 9.055 ( 5.090 8.119 0.000) 9.583 9.436 ( -2.621 -9.145 0.000) 9.513 9.436 ( 2.621 -9.145 0.000) 9.513 10.920 ( -5.388 18.387 0.000) 19.160 10.920 ( 5.388 18.387 0.000) 19.160 11.390 ( -7.746 2.380 0.000) 8.104 11.390 ( 7.746 2.380 0.000) 8.104 11.553 ( -7.022 2.645 0.000) 7.503 11.553 ( 7.022 2.645 0.000) 7.503 11.750 ( -6.922 -11.561 0.000) 13.474 11.750 ( 6.922 -11.561 0.000) 13.474 13.504 ( -3.484 12.122 0.000) 12.612 13.504 ( 3.484 12.122 0.000) 12.612 14.008 ( -2.240 -5.815 0.000) 6.231 14.008 ( 2.240 -5.815 0.000) 6.231 14.298 ( -2.859 0.925 0.000) 3.005 14.298 ( 2.859 0.925 0.000) 3.005 14.518 ( -2.749 -6.268 0.000) 6.844 14.518 ( 2.749 -6.268 0.000) 6.844 14.923 ( -8.147 5.062 0.000) 9.592 14.923 ( 8.147 5.062 0.000) 9.592 15.140 ( -5.591 -4.779 0.000) 7.355 15.140 ( 5.591 -4.779 0.000) 7.355 18.318 ( -19.780 -1.360 0.000) 19.827 18.318 ( 19.780 -1.360 0.000) 19.827 18.444 ( -15.040 -7.148 0.000) 16.652 18.444 ( 15.040 -7.148 0.000) 16.652 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.000 -23.005 0.000) 23.005 1.640 ( 0.000 23.005 0.000) 23.005 1.771 ( 0.000 -24.014 0.000) 24.014 1.771 ( 0.000 24.014 0.000) 24.014 2.143 ( 0.000 -4.275 0.000) 4.275 2.143 ( 0.000 4.275 0.000) 4.275 3.046 ( 0.000 -21.132 0.000) 21.132 3.046 ( 0.000 21.132 0.000) 21.132 3.254 ( 0.000 -4.193 0.000) 4.193 3.254 ( 0.000 4.193 0.000) 4.193 3.527 ( 0.000 -14.410 0.000) 14.410 3.527 ( 0.000 14.410 0.000) 14.410 3.862 ( 0.000 -5.072 0.000) 5.072 3.862 ( 0.000 5.072 0.000) 5.072 4.023 ( 0.000 -9.137 0.000) 9.137 4.023 ( 0.000 9.137 0.000) 9.137 4.179 ( 0.000 -14.207 0.000) 14.207 4.179 ( 0.000 14.207 0.000) 14.207 4.702 ( 0.000 -3.585 0.000) 3.585 4.702 ( 0.000 3.585 0.000) 3.585 5.376 ( 0.000 -2.579 0.000) 2.579 5.376 ( 0.000 2.579 0.000) 2.579 5.740 ( 0.000 -14.003 0.000) 14.003 5.740 ( 0.000 14.003 0.000) 14.003 6.337 ( 0.000 -14.435 0.000) 14.435 6.337 ( 0.000 14.435 0.000) 14.435 6.505 ( 0.000 -2.856 0.000) 2.856 6.505 ( 0.000 2.856 0.000) 2.856 7.416 ( 0.000 -2.229 0.000) 2.229 7.416 ( 0.000 2.229 0.000) 2.229 8.019 ( 0.000 -0.883 0.000) 0.883 8.019 ( 0.000 0.883 0.000) 0.883 8.202 ( 0.000 -11.915 0.000) 11.915 8.202 ( 0.000 11.915 0.000) 11.915 9.553 ( 0.000 -9.492 0.000) 9.492 9.553 ( 0.000 9.492 0.000) 9.492 10.627 ( 0.000 -11.741 0.000) 11.741 10.627 ( 0.000 11.741 0.000) 11.741 11.346 ( 0.000 -7.816 0.000) 7.816 11.346 ( 0.000 7.816 0.000) 7.816 11.995 ( 0.000 -13.602 0.000) 13.602 11.995 ( 0.000 13.602 0.000) 13.602 12.402 ( 0.000 -0.804 0.000) 0.804 12.402 ( 0.000 0.804 0.000) 0.804 13.534 ( 0.000 -22.026 0.000) 22.026 13.534 ( 0.000 22.026 0.000) 22.026 13.771 ( 0.000 -8.291 0.000) 8.291 13.771 ( 0.000 8.291 0.000) 8.291 13.838 ( 0.000 -12.523 0.000) 12.523 13.838 ( 0.000 12.523 0.000) 12.523 14.282 ( 0.000 -6.277 0.000) 6.277 14.282 ( 0.000 6.277 0.000) 6.277 14.803 ( 0.000 -3.539 0.000) 3.539 14.803 ( 0.000 3.539 0.000) 3.539 15.493 ( 0.000 -1.999 0.000) 1.999 15.493 ( 0.000 1.999 0.000) 1.999 17.077 ( 0.000 -7.643 0.000) 7.643 17.077 ( 0.000 7.643 0.000) 7.643 19.166 ( 0.000 -0.878 0.000) 0.878 19.166 ( 0.000 0.878 0.000) 0.878 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.307 -21.627 0.000) 21.629 1.643 ( 0.307 21.627 0.000) 21.629 1.743 ( -1.211 -18.510 0.000) 18.550 1.743 ( -1.211 18.510 0.000) 18.550 2.257 ( 6.542 -4.457 0.000) 7.916 2.257 ( 6.542 4.457 0.000) 7.916 3.112 ( -10.379 -7.362 0.000) 12.724 3.112 ( -10.379 7.362 0.000) 12.724 3.175 ( 13.812 -22.856 0.000) 26.705 3.175 ( 13.812 22.856 0.000) 26.705 3.488 ( -4.929 -12.690 0.000) 13.614 3.488 ( -4.929 12.690 0.000) 13.614 3.870 ( -12.633 -10.282 0.000) 16.288 3.870 ( -12.633 10.282 0.000) 16.288 3.959 ( 8.536 -7.258 0.000) 11.204 3.959 ( 8.536 7.258 0.000) 11.204 4.308 ( 10.997 -13.573 0.000) 17.469 4.308 ( 10.997 13.573 0.000) 17.469 4.726 ( 1.455 -6.316 0.000) 6.482 4.726 ( 1.455 6.316 0.000) 6.482 5.342 ( -2.699 -3.555 0.000) 4.463 5.342 ( -2.699 3.555 0.000) 4.463 5.760 ( 1.611 -14.518 0.000) 14.607 5.760 ( 1.611 14.518 0.000) 14.607 6.238 ( -9.107 -13.151 0.000) 15.996 6.238 ( -9.107 13.151 0.000) 15.996 6.388 ( -8.149 -6.048 0.000) 10.149 6.388 ( -8.149 6.048 0.000) 10.149 7.442 ( 2.275 -12.574 0.000) 12.778 7.442 ( 2.275 12.574 0.000) 12.778 7.988 ( -2.970 -1.007 0.000) 3.136 7.988 ( -2.970 1.007 0.000) 3.136 8.470 ( 20.502 -7.857 0.000) 21.956 8.470 ( 20.502 7.857 0.000) 21.956 9.503 ( -4.200 -9.395 0.000) 10.291 9.503 ( -4.200 9.395 0.000) 10.291 10.703 ( 6.766 -12.532 0.000) 14.242 10.703 ( 6.766 12.532 0.000) 14.242 11.271 ( -5.980 -7.378 0.000) 9.497 11.271 ( -5.980 7.378 0.000) 9.497 11.962 ( -3.297 -14.594 0.000) 14.962 11.962 ( -3.297 14.594 0.000) 14.962 12.324 ( -7.303 -1.914 0.000) 7.549 12.324 ( -7.303 1.914 0.000) 7.549 13.566 ( 2.898 -21.507 0.000) 21.702 13.566 ( 2.898 21.507 0.000) 21.702 13.768 ( 0.454 -2.075 0.000) 2.124 13.768 ( 0.454 2.075 0.000) 2.124 13.935 ( 7.714 -10.016 0.000) 12.642 13.935 ( 7.714 10.016 0.000) 12.642 14.303 ( 1.920 -6.480 0.000) 6.759 14.303 ( 1.920 6.480 0.000) 6.759 14.809 ( 0.696 -4.961 0.000) 5.010 14.809 ( 0.696 4.961 0.000) 5.010 15.432 ( -4.942 -3.097 0.000) 5.832 15.432 ( -4.942 3.097 0.000) 5.832 17.223 ( 12.499 -2.791 0.000) 12.807 17.223 ( 12.499 2.791 0.000) 12.807 19.114 ( -4.891 -0.783 0.000) 4.954 19.114 ( -4.891 0.783 0.000) 4.954 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.978 -19.317 0.000) 19.342 1.656 ( 0.978 19.317 0.000) 19.342 1.743 ( 1.060 -7.807 0.000) 7.878 1.743 ( 1.060 7.807 0.000) 7.878 2.335 ( 1.941 -5.977 0.000) 6.284 2.335 ( 1.941 5.977 0.000) 6.284 2.905 ( -8.325 -5.617 0.000) 10.043 2.905 ( -8.325 5.617 0.000) 10.043 3.322 ( -10.268 -10.339 0.000) 14.571 3.322 ( -10.268 10.339 0.000) 14.571 3.516 ( -7.184 -9.669 0.000) 12.045 3.516 ( -7.184 9.669 0.000) 12.045 3.679 ( 19.356 -13.517 0.000) 23.608 3.679 ( 19.356 13.517 0.000) 23.608 4.184 ( 12.161 -8.144 0.000) 14.636 4.184 ( 12.161 8.144 0.000) 14.636 4.579 ( 13.568 -11.627 0.000) 17.868 4.579 ( 13.568 11.627 0.000) 17.868 4.752 ( 1.093 -9.223 0.000) 9.288 4.752 ( 1.093 9.223 0.000) 9.288 5.277 ( -3.511 -4.177 0.000) 5.457 5.277 ( -3.511 4.177 0.000) 5.457 5.776 ( -2.632 -17.031 0.000) 17.234 5.776 ( -2.632 17.031 0.000) 17.234 5.988 ( -11.996 -8.108 0.000) 14.479 5.988 ( -11.996 8.108 0.000) 14.479 6.229 ( -6.883 -9.143 0.000) 11.444 6.229 ( -6.883 9.143 0.000) 11.444 7.505 ( 3.606 -14.790 0.000) 15.223 7.505 ( 3.606 14.790 0.000) 15.223 7.899 ( -5.214 -1.544 0.000) 5.437 7.899 ( -5.214 1.544 0.000) 5.437 8.881 ( 16.253 -11.084 0.000) 19.672 8.881 ( 16.253 11.084 0.000) 19.672 9.403 ( -4.746 -9.166 0.000) 10.322 9.403 ( -4.746 9.166 0.000) 10.322 10.888 ( 10.276 -14.241 0.000) 17.562 10.888 ( 10.276 14.241 0.000) 17.562 11.163 ( -2.801 -7.877 0.000) 8.360 11.163 ( -2.801 7.877 0.000) 8.360 11.854 ( -6.740 -14.598 0.000) 16.079 11.854 ( -6.740 14.598 0.000) 16.079 12.109 ( -12.613 -1.903 0.000) 12.756 12.109 ( -12.613 1.903 0.000) 12.756 13.645 ( 4.237 -19.743 0.000) 20.192 13.645 ( 4.237 19.743 0.000) 20.192 13.786 ( 0.969 -4.674 0.000) 4.774 13.786 ( 0.969 4.674 0.000) 4.774 14.121 ( 9.135 -9.051 0.000) 12.860 14.121 ( 9.135 9.051 0.000) 12.860 14.353 ( 2.582 -6.707 0.000) 7.187 14.353 ( 2.582 6.707 0.000) 7.187 14.838 ( 2.187 -6.654 0.000) 7.004 14.838 ( 2.187 6.654 0.000) 7.004 15.316 ( -5.878 -3.757 0.000) 6.976 15.316 ( -5.878 3.757 0.000) 6.976 17.545 ( 17.302 -4.655 0.000) 17.917 17.545 ( 17.302 4.655 0.000) 17.917 18.957 ( -10.089 -0.323 0.000) 10.094 18.957 ( -10.089 0.323 0.000) 10.094 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 1.983 -17.907 0.000) 18.017 1.686 ( 1.983 17.907 0.000) 18.017 1.764 ( 0.157 -5.513 0.000) 5.515 1.764 ( 0.157 5.513 0.000) 5.515 2.407 ( 6.146 -3.568 0.000) 7.107 2.407 ( 6.146 3.568 0.000) 7.107 2.768 ( -5.729 -4.724 0.000) 7.425 2.768 ( -5.729 4.724 0.000) 7.425 3.099 ( -9.027 -9.285 0.000) 12.950 3.099 ( -9.027 9.285 0.000) 12.950 3.233 ( -12.631 -8.823 0.000) 15.407 3.233 ( -12.631 8.823 0.000) 15.407 4.282 ( 30.329 -14.036 0.000) 33.419 4.282 ( 30.329 14.036 0.000) 33.419 4.444 ( 11.910 -9.337 0.000) 15.134 4.444 ( 11.910 9.337 0.000) 15.134 4.756 ( -1.551 -10.398 0.000) 10.513 4.756 ( -1.551 10.398 0.000) 10.513 4.842 ( 10.615 -10.674 0.000) 15.054 4.842 ( 10.615 10.674 0.000) 15.054 5.192 ( -4.494 -7.680 0.000) 8.899 5.192 ( -4.494 7.680 0.000) 8.899 5.479 ( -21.726 -14.711 0.000) 26.238 5.479 ( -21.726 14.711 0.000) 26.238 5.915 ( 1.738 -10.848 0.000) 10.987 5.915 ( 1.738 10.848 0.000) 10.987 6.091 ( -6.182 -10.280 0.000) 11.996 6.091 ( -6.182 10.280 0.000) 11.996 7.587 ( 4.034 -11.937 0.000) 12.600 7.587 ( 4.034 11.937 0.000) 12.600 7.783 ( -5.504 -3.451 0.000) 6.496 7.783 ( -5.504 3.451 0.000) 6.496 9.129 ( 7.711 -11.317 0.000) 13.695 9.129 ( 7.711 11.317 0.000) 13.695 9.314 ( -3.683 -9.111 0.000) 9.827 9.314 ( -3.683 9.111 0.000) 9.827 11.114 ( 10.578 -15.987 0.000) 19.169 11.114 ( 10.578 15.987 0.000) 19.169 11.187 ( 4.869 -9.140 0.000) 10.356 11.187 ( 4.869 9.140 0.000) 10.356 11.691 ( -8.118 -12.573 0.000) 14.966 11.691 ( -8.118 12.573 0.000) 14.966 11.820 ( -14.007 -1.960 0.000) 14.143 11.820 ( -14.007 1.960 0.000) 14.143 13.730 ( 3.477 -17.250 0.000) 17.597 13.730 ( 3.477 17.250 0.000) 17.597 13.799 ( 0.072 -10.169 0.000) 10.169 13.799 ( 0.072 10.169 0.000) 10.169 14.291 ( 6.566 -6.819 0.000) 9.467 14.291 ( 6.566 6.819 0.000) 9.467 14.397 ( 1.174 -6.656 0.000) 6.759 14.397 ( 1.174 6.656 0.000) 6.759 14.909 ( 4.671 -6.770 0.000) 8.225 14.909 ( 4.671 6.770 0.000) 8.225 15.182 ( -6.891 -4.400 0.000) 8.177 15.182 ( -6.891 4.400 0.000) 8.177 17.932 ( 19.141 -5.322 0.000) 19.867 17.932 ( 19.141 5.322 0.000) 19.867 18.691 ( -15.079 -1.052 0.000) 15.116 18.691 ( -15.079 1.052 0.000) 15.116 ======================= Grid point 35 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -2.413 -14.758 0.000) 14.954 1.736 ( 2.413 -14.758 0.000) 14.954 1.736 ( -2.413 14.758 0.000) 14.954 1.736 ( 2.413 14.758 0.000) 14.954 2.595 ( -10.394 -1.980 0.000) 10.581 2.595 ( -10.394 1.980 0.000) 10.581 2.595 ( 10.394 -1.980 0.000) 10.581 2.595 ( 10.394 1.980 0.000) 10.581 3.043 ( -4.285 -7.427 0.000) 8.575 3.043 ( 4.285 -7.427 0.000) 8.575 3.043 ( -4.285 7.427 0.000) 8.575 3.043 ( 4.285 7.427 0.000) 8.575 4.658 ( -7.677 -11.512 0.000) 13.837 4.658 ( 7.677 -11.512 0.000) 13.837 4.658 ( -7.677 11.512 0.000) 13.837 4.658 ( 7.677 11.512 0.000) 13.837 4.870 ( -20.408 -2.314 0.000) 20.539 4.870 ( -20.408 2.314 0.000) 20.539 4.870 ( 20.408 -2.314 0.000) 20.539 4.870 ( 20.408 2.314 0.000) 20.539 5.108 ( -0.396 -8.815 0.000) 8.824 5.108 ( 0.396 -8.815 0.000) 8.824 5.108 ( -0.396 8.815 0.000) 8.824 5.108 ( 0.396 8.815 0.000) 8.824 5.979 ( -4.249 -11.304 0.000) 12.076 5.979 ( 4.249 -11.304 0.000) 12.076 5.979 ( -4.249 11.304 0.000) 12.076 5.979 ( 4.249 11.304 0.000) 12.076 7.676 ( -4.566 -7.292 0.000) 8.604 7.676 ( 4.566 -7.292 0.000) 8.604 7.676 ( -4.566 7.292 0.000) 8.604 7.676 ( 4.566 7.292 0.000) 8.604 9.240 ( -3.755 -9.838 0.000) 10.531 9.240 ( 3.755 -9.838 0.000) 10.531 9.240 ( -3.755 9.838 0.000) 10.531 9.240 ( 3.755 9.838 0.000) 10.531 11.274 ( -1.461 -14.608 0.000) 14.681 11.274 ( 1.461 -14.608 0.000) 14.681 11.274 ( -1.461 14.608 0.000) 14.681 11.274 ( 1.461 14.608 0.000) 14.681 11.597 ( -3.403 -3.025 0.000) 4.553 11.597 ( 3.403 -3.025 0.000) 4.553 11.597 ( -3.403 3.025 0.000) 4.553 11.597 ( 3.403 3.025 0.000) 4.553 13.784 ( -1.612 -14.261 0.000) 14.352 13.784 ( 1.612 -14.261 0.000) 14.352 13.784 ( -1.612 14.261 0.000) 14.352 13.784 ( 1.612 14.261 0.000) 14.352 14.387 ( -2.441 -6.304 0.000) 6.761 14.387 ( 2.441 -6.304 0.000) 6.761 14.387 ( -2.441 6.304 0.000) 6.761 14.387 ( 2.441 6.304 0.000) 6.761 15.033 ( -6.882 -5.612 0.000) 8.880 15.033 ( 6.882 -5.612 0.000) 8.880 15.033 ( -6.882 5.612 0.000) 8.880 15.033 ( 6.882 5.612 0.000) 8.880 18.333 ( -18.498 -3.239 0.000) 18.779 18.333 ( -18.498 3.239 0.000) 18.779 18.333 ( 18.498 -3.239 0.000) 18.779 18.333 ( 18.498 3.239 0.000) 18.779 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 0.000 28.497) 28.497 0.574 ( 0.000 0.000 28.509) 28.509 1.073 ( 0.000 0.000 54.442) 54.442 2.210 ( 0.000 0.000 4.621) 4.621 2.464 ( 0.000 0.000 2.662) 2.662 2.728 ( 0.000 0.000 -3.997) 3.997 2.760 ( 0.000 0.000 -3.165) 3.165 3.042 ( 0.000 0.000 -13.198) 13.198 3.232 ( 0.000 0.000 -22.349) 22.349 3.263 ( 0.000 0.000 1.692) 1.692 3.285 ( 0.000 0.000 -12.181) 12.181 3.360 ( 0.000 0.000 0.288) 0.288 3.407 ( 0.000 0.000 0.915) 0.915 3.576 ( 0.000 0.000 -0.337) 0.337 3.857 ( 0.000 0.000 4.140) 4.140 4.427 ( 0.000 0.000 2.256) 2.256 4.473 ( 0.000 0.000 -0.232) 0.232 4.534 ( 0.000 0.000 12.267) 12.267 4.713 ( 0.000 0.000 1.433) 1.433 4.902 ( 0.000 0.000 1.738) 1.738 4.933 ( 0.000 0.000 -7.903) 7.903 5.108 ( 0.000 0.000 1.217) 1.217 5.614 ( 0.000 0.000 2.670) 2.670 5.777 ( 0.000 0.000 15.691) 15.691 6.099 ( 0.000 0.000 -3.532) 3.532 6.424 ( 0.000 0.000 -3.852) 3.852 6.529 ( 0.000 0.000 -14.330) 14.330 6.761 ( 0.000 0.000 -2.665) 2.665 7.259 ( 0.000 0.000 -15.920) 15.920 7.786 ( 0.000 0.000 -4.576) 4.576 7.909 ( 0.000 0.000 -5.601) 5.601 8.087 ( 0.000 0.000 -9.885) 9.885 8.117 ( 0.000 0.000 4.253) 4.253 8.765 ( 0.000 0.000 4.438) 4.438 9.412 ( 0.000 0.000 11.295) 11.295 10.006 ( 0.000 0.000 11.068) 11.068 10.041 ( 0.000 0.000 2.856) 2.856 10.122 ( 0.000 0.000 3.324) 3.324 11.196 ( 0.000 0.000 -6.432) 6.432 11.353 ( 0.000 0.000 2.412) 2.412 11.728 ( 0.000 0.000 -14.373) 14.373 12.314 ( 0.000 0.000 -17.010) 17.010 12.402 ( 0.000 0.000 -6.431) 6.431 12.545 ( 0.000 0.000 6.615) 6.615 12.603 ( 0.000 0.000 -14.571) 14.571 13.194 ( 0.000 0.000 -0.671) 0.671 13.691 ( 0.000 0.000 5.155) 5.155 13.932 ( 0.000 0.000 19.225) 19.225 13.969 ( 0.000 0.000 1.245) 1.245 14.304 ( 0.000 0.000 -1.249) 1.249 14.394 ( 0.000 0.000 6.932) 6.932 14.451 ( 0.000 0.000 10.894) 10.894 14.509 ( 0.000 0.000 -0.151) 0.151 15.015 ( 0.000 0.000 6.294) 6.294 15.365 ( 0.000 0.000 -4.977) 4.977 15.531 ( 0.000 0.000 -3.716) 3.716 17.489 ( 0.000 0.000 8.104) 8.104 18.054 ( 0.000 0.000 1.260) 1.260 19.146 ( 0.000 0.000 -5.155) 5.155 19.252 ( 0.000 0.000 -3.251) 3.251 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 21.883 0.000 16.780) 27.576 0.852 ( 20.161 0.000 19.209) 27.847 1.569 ( 39.325 0.000 33.156) 51.437 2.244 ( 2.037 0.000 1.338) 2.437 2.457 ( -1.828 0.000 0.524) 1.902 2.715 ( -3.095 0.000 -2.783) 4.162 2.797 ( 2.829 0.000 -2.348) 3.677 3.020 ( -10.093 0.000 -10.681) 14.695 3.036 ( -14.084 0.000 -11.059) 17.907 3.145 ( 0.709 0.000 1.006) 1.231 3.258 ( -1.186 0.000 -15.761) 15.806 3.361 ( 0.653 0.000 -1.311) 1.465 3.439 ( 2.730 0.000 -3.631) 4.543 3.586 ( 0.636 0.000 -0.628) 0.894 3.971 ( 9.235 0.000 6.236) 11.143 4.166 ( -7.708 0.000 0.041) 7.709 4.322 ( -16.024 0.000 1.048) 16.058 4.669 ( 3.683 0.000 14.187) 14.657 4.762 ( 6.192 0.000 3.622) 7.174 4.882 ( -3.730 0.000 -9.938) 10.615 5.067 ( 10.490 0.000 2.367) 10.754 5.151 ( 2.830 0.000 2.226) 3.600 5.592 ( -2.568 0.000 2.738) 3.754 5.738 ( -2.443 0.000 10.247) 10.534 6.255 ( 13.129 0.000 1.543) 13.219 6.272 ( -8.086 0.000 -3.200) 8.696 6.475 ( -5.138 0.000 -11.811) 12.880 6.637 ( -6.275 0.000 2.331) 6.693 6.884 ( -14.446 0.000 2.918) 14.738 7.867 ( -3.912 0.000 -4.698) 6.113 7.876 ( 10.839 0.000 -4.639) 11.790 7.992 ( -3.473 0.000 -3.911) 5.230 8.604 ( 5.589 0.000 -7.692) 9.508 9.101 ( 17.056 0.000 -19.558) 25.950 9.371 ( 0.099 0.000 -2.510) 2.512 10.030 ( -1.767 0.000 3.539) 3.955 10.043 ( 3.436 0.000 9.990) 10.564 10.207 ( 7.680 0.000 2.816) 8.180 11.148 ( -4.276 0.000 -6.582) 7.849 11.265 ( -2.458 0.000 8.746) 9.084 11.631 ( -11.542 0.000 -7.115) 13.559 12.169 ( -13.898 0.000 0.122) 13.899 12.230 ( -5.088 0.000 -14.685) 15.542 12.566 ( -3.451 0.000 -9.901) 10.485 12.759 ( 11.976 0.000 0.501) 11.987 13.219 ( 2.164 0.000 -0.946) 2.362 13.394 ( -11.187 0.000 24.758) 27.168 13.748 ( 5.293 0.000 3.298) 6.237 13.998 ( 3.971 0.000 21.852) 22.210 14.326 ( 2.191 0.000 -0.733) 2.310 14.332 ( 3.179 0.000 7.329) 7.989 14.519 ( 0.761 0.000 -0.585) 0.960 14.872 ( 5.859 0.000 -6.955) 9.094 14.970 ( 0.497 0.000 0.208) 0.538 15.315 ( -4.691 0.000 -5.484) 7.217 15.517 ( -2.496 0.000 -3.249) 4.097 17.549 ( 5.848 0.000 8.258) 10.119 18.281 ( 9.937 0.000 -5.087) 11.164 19.105 ( -3.846 0.000 -4.764) 6.122 19.204 ( -4.629 0.000 -2.808) 5.414 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 21.162 0.000 10.674) 23.701 1.345 ( 23.326 0.000 5.696) 24.011 2.197 ( -7.983 0.000 -8.326) 11.534 2.380 ( -4.966 0.000 1.586) 5.213 2.458 ( 40.329 0.000 15.568) 43.230 2.599 ( -10.359 0.000 7.236) 12.636 2.737 ( -7.578 0.000 -12.171) 14.337 2.797 ( -1.234 0.000 -4.812) 4.967 2.905 ( 0.950 0.000 -4.448) 4.548 3.110 ( -7.077 0.000 -4.121) 8.189 3.236 ( -0.197 0.000 -12.385) 12.386 3.474 ( 2.923 0.000 -0.382) 2.948 3.493 ( 4.106 0.000 2.178) 4.648 3.645 ( 9.988 0.000 -3.480) 10.577 3.924 ( -18.872 0.000 4.543) 19.412 4.088 ( -4.612 0.000 -10.256) 11.245 4.200 ( 11.742 0.000 7.143) 13.744 4.660 ( 0.635 0.000 10.956) 10.974 4.799 ( -3.950 0.000 -14.156) 14.697 5.004 ( 12.312 0.000 6.622) 13.980 5.192 ( 0.356 0.000 2.270) 2.298 5.248 ( 7.151 0.000 2.148) 7.467 5.513 ( -3.947 0.000 3.894) 5.544 5.685 ( -3.002 0.000 9.538) 9.999 6.135 ( -8.531 0.000 -10.719) 13.700 6.312 ( -9.038 0.000 -8.131) 12.157 6.511 ( -7.593 0.000 -0.829) 7.638 6.590 ( 17.556 0.000 3.414) 17.884 6.642 ( -6.812 0.000 3.669) 7.737 7.747 ( -7.478 0.000 -2.683) 7.944 7.870 ( -2.921 0.000 -3.358) 4.451 8.197 ( 12.827 0.000 -3.008) 13.175 8.608 ( -3.051 0.000 9.325) 9.811 9.117 ( -4.932 0.000 -0.451) 4.953 9.482 ( 4.269 0.000 -23.478) 23.863 9.942 ( -6.390 0.000 5.012) 8.121 10.145 ( 6.084 0.000 7.041) 9.306 10.413 ( 10.602 0.000 2.482) 10.889 11.039 ( -5.061 0.000 -6.705) 8.401 11.325 ( 6.334 0.000 4.351) 7.685 11.402 ( -6.905 0.000 -0.332) 6.913 11.869 ( -14.535 0.000 2.156) 14.695 12.078 ( -9.074 0.000 -9.571) 13.188 12.449 ( -7.719 0.000 -5.583) 9.526 12.991 ( 9.793 0.000 -0.705) 9.819 13.269 ( 2.116 0.000 -1.130) 2.398 13.473 ( 12.279 0.000 3.922) 12.890 13.904 ( 9.176 0.000 -1.469) 9.293 14.078 ( 2.711 0.000 15.181) 15.421 14.404 ( 5.195 0.000 0.117) 5.196 14.435 ( 6.298 0.000 4.521) 7.753 14.528 ( -0.288 0.000 -1.772) 1.795 14.845 ( -2.489 0.000 3.806) 4.548 15.048 ( 3.009 0.000 -8.686) 9.192 15.173 ( -8.584 0.000 -6.385) 10.699 15.426 ( -5.727 0.000 -4.149) 7.072 17.739 ( 12.206 0.000 8.112) 14.655 18.417 ( 4.660 0.000 0.087) 4.660 18.990 ( -6.883 0.000 -3.617) 7.775 19.052 ( -9.859 0.000 -1.432) 9.963 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 17.838 0.000 6.367) 18.940 1.747 ( 12.129 0.000 -3.839) 12.722 1.987 ( -9.316 0.000 -10.933) 14.364 2.252 ( -7.507 0.000 3.683) 8.362 2.407 ( -1.890 0.000 5.552) 5.864 2.607 ( -1.243 0.000 -9.539) 9.619 2.853 ( -6.487 0.000 -8.289) 10.526 2.859 ( -8.072 0.000 -1.849) 8.281 2.976 ( 5.938 0.000 2.821) 6.574 3.130 ( 14.802 0.000 0.137) 14.802 3.326 ( 11.693 0.000 -7.590) 13.940 3.395 ( -7.602 0.000 3.760) 8.481 3.555 ( -13.524 0.000 6.162) 14.862 3.767 ( 23.155 0.000 10.717) 25.515 3.903 ( -12.242 0.000 -7.131) 14.168 3.961 ( 16.055 0.000 -10.168) 19.004 4.388 ( 2.481 0.000 -0.229) 2.492 4.678 ( -4.045 0.000 5.742) 7.024 4.759 ( 2.894 0.000 -10.742) 11.125 5.130 ( -6.669 0.000 -0.484) 6.686 5.207 ( 8.394 0.000 -1.619) 8.549 5.427 ( 9.992 0.000 3.590) 10.617 5.474 ( 0.667 0.000 8.730) 8.755 5.607 ( -4.138 0.000 10.772) 11.540 5.859 ( -14.818 0.000 -9.194) 17.439 6.066 ( -14.136 0.000 -2.590) 14.371 6.436 ( 0.925 0.000 -4.724) 4.814 6.554 ( -3.332 0.000 0.332) 3.348 6.959 ( 16.972 0.000 2.719) 17.189 7.554 ( -10.852 0.000 -0.549) 10.866 7.878 ( 3.964 0.000 0.790) 4.042 8.248 ( -8.459 0.000 11.769) 14.494 8.662 ( 9.498 0.000 -2.772) 9.894 9.013 ( -5.554 0.000 -0.090) 5.555 9.545 ( 3.196 0.000 -11.872) 12.295 9.791 ( -7.402 0.000 4.408) 8.615 10.292 ( 7.758 0.000 3.381) 8.463 10.557 ( 0.492 0.000 1.564) 1.640 11.020 ( 5.661 0.000 -4.110) 6.995 11.329 ( 1.181 0.000 -3.738) 3.920 11.470 ( 2.834 0.000 1.206) 3.080 11.558 ( -14.889 0.000 2.351) 15.073 11.929 ( -2.091 0.000 -4.037) 4.546 12.254 ( -10.386 0.000 -2.764) 10.747 13.164 ( 6.529 0.000 -0.779) 6.575 13.294 ( 0.051 0.000 -0.877) 0.878 13.756 ( 12.808 0.000 -3.198) 13.201 14.085 ( -2.302 0.000 6.057) 6.480 14.117 ( 10.655 0.000 -5.693) 12.080 14.464 ( -3.350 0.000 -2.908) 4.436 14.566 ( 7.282 0.000 -1.283) 7.394 14.584 ( 7.352 0.000 3.399) 8.100 14.801 ( -2.275 0.000 4.408) 4.961 14.968 ( -10.418 0.000 -6.039) 12.042 15.094 ( 2.137 0.000 -8.270) 8.542 15.292 ( -6.630 0.000 -5.662) 8.719 18.053 ( 17.172 0.000 6.652) 18.415 18.519 ( 5.539 0.000 1.318) 5.694 18.789 ( -15.048 0.000 0.904) 15.075 18.827 ( -8.241 0.000 -1.826) 8.441 ======================= Grid point 67 (25/100) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -3.083 0.000 -9.293) 9.791 1.859 ( 3.083 0.000 -9.293) 9.791 2.039 ( -12.869 0.000 4.885) 13.765 2.039 ( 12.869 0.000 4.885) 13.765 2.579 ( -14.186 0.000 2.561) 14.416 2.579 ( 14.186 0.000 2.561) 14.416 2.682 ( -7.565 0.000 -10.658) 13.070 2.682 ( 7.565 0.000 -10.658) 13.070 3.194 ( -10.908 0.000 4.256) 11.709 3.194 ( 10.908 0.000 4.256) 11.709 3.317 ( -8.510 0.000 5.453) 10.107 3.317 ( 8.510 0.000 5.453) 10.107 3.619 ( -13.824 0.000 -6.949) 15.472 3.619 ( 13.824 0.000 -6.949) 15.472 4.263 ( -11.768 0.000 -11.212) 16.254 4.263 ( 11.768 0.000 -11.212) 16.254 4.351 ( -25.578 0.000 8.222) 26.867 4.351 ( 25.578 0.000 8.222) 26.867 4.935 ( -10.762 0.000 -1.507) 10.867 4.935 ( 10.762 0.000 -1.507) 10.867 5.439 ( -11.698 0.000 -7.169) 13.720 5.439 ( 11.698 0.000 -7.169) 13.720 5.524 ( -3.523 0.000 10.726) 11.290 5.524 ( 3.523 0.000 10.726) 11.290 5.784 ( -10.719 0.000 1.367) 10.806 5.784 ( 10.719 0.000 1.367) 10.806 6.486 ( -3.075 0.000 -3.669) 4.787 6.486 ( 3.075 0.000 -3.669) 4.787 7.290 ( -14.220 0.000 1.294) 14.279 7.290 ( 14.220 0.000 1.294) 14.279 8.030 ( -9.917 0.000 7.699) 12.554 8.030 ( 9.917 0.000 7.699) 12.554 8.865 ( -8.569 0.000 -2.241) 8.858 8.865 ( 8.569 0.000 -2.241) 8.858 9.645 ( -6.166 0.000 -1.030) 6.251 9.645 ( 6.166 0.000 -1.030) 6.251 10.459 ( -7.530 0.000 0.763) 7.569 10.459 ( 7.530 0.000 0.763) 7.569 11.250 ( -13.955 0.000 0.482) 13.963 11.250 ( 13.955 0.000 0.482) 13.963 11.413 ( -5.606 0.000 -3.301) 6.506 11.413 ( 5.606 0.000 -3.301) 6.506 12.034 ( -9.657 0.000 -1.170) 9.728 12.034 ( 9.657 0.000 -1.170) 9.728 13.264 ( -3.024 0.000 -0.685) 3.100 13.264 ( 3.024 0.000 -0.685) 3.100 13.977 ( -7.937 0.000 -1.103) 8.013 13.977 ( 7.937 0.000 -1.103) 8.013 14.329 ( -8.823 0.000 -5.904) 10.616 14.329 ( 8.823 0.000 -5.904) 10.616 14.723 ( -5.372 0.000 3.495) 6.408 14.723 ( 5.372 0.000 3.495) 6.408 14.752 ( -9.764 0.000 -3.406) 10.342 14.752 ( 9.764 0.000 -3.406) 10.342 15.166 ( -4.893 0.000 -6.968) 8.514 15.166 ( 4.893 0.000 -6.968) 8.514 18.433 ( -18.168 0.000 3.901) 18.582 18.433 ( 18.168 0.000 3.901) 18.582 18.658 ( -7.528 0.000 0.154) 7.530 18.658 ( 7.528 0.000 0.154) 7.530 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 21.305 17.735) 27.720 0.835 ( 0.000 19.017 19.967) 27.574 1.447 ( 0.000 31.939 36.669) 48.628 2.133 ( 0.000 -8.544 -1.429) 8.662 2.388 ( 0.000 -4.524 7.252) 8.547 2.641 ( 0.000 -11.561 -8.738) 14.492 2.823 ( 0.000 5.284 -3.617) 6.403 3.061 ( 0.000 -17.525 -6.650) 18.745 3.122 ( 0.000 -4.341 -17.390) 17.924 3.190 ( 0.000 10.253 -10.749) 14.855 3.265 ( 0.000 1.486 -1.505) 2.116 3.523 ( 0.000 10.767 -3.123) 11.210 3.596 ( 0.000 13.614 4.308) 14.279 3.817 ( 0.000 19.226 -11.872) 22.596 3.873 ( 0.000 0.728 3.938) 4.005 4.221 ( 0.000 -11.359 -1.100) 11.412 4.325 ( 0.000 -14.000 -2.765) 14.271 4.485 ( 0.000 -10.002 10.290) 14.350 4.510 ( 0.000 -1.120 6.394) 6.492 4.815 ( 0.000 -6.834 5.312) 8.655 5.088 ( 0.000 7.764 -8.395) 11.435 5.389 ( 0.000 7.831 -6.758) 10.344 5.745 ( 0.000 10.961 2.454) 11.232 5.782 ( 0.000 1.506 15.876) 15.948 6.113 ( 0.000 1.352 -4.703) 4.894 6.426 ( 0.000 0.266 -3.671) 3.680 6.518 ( 0.000 -3.111 -7.561) 8.176 6.857 ( 0.000 7.303 -8.981) 11.576 7.270 ( 0.000 0.721 -16.424) 16.440 7.509 ( 0.000 -27.545 5.713) 28.131 7.820 ( 0.000 3.511 -4.116) 5.410 8.080 ( 0.000 -0.015 2.661) 2.661 8.116 ( 0.000 0.024 5.244) 5.244 8.549 ( 0.000 -9.378 2.237) 9.641 9.417 ( 0.000 1.005 10.840) 10.886 9.930 ( 0.000 -5.777 3.644) 6.831 10.172 ( 0.000 10.684 9.833) 14.520 10.517 ( 0.000 18.786 -13.781) 23.299 11.159 ( 0.000 -1.147 -5.010) 5.140 11.484 ( 0.000 10.301 0.912) 10.341 11.650 ( 0.000 -7.439 -13.218) 15.168 12.294 ( 0.000 -1.769 -16.694) 16.788 12.347 ( 0.000 -5.017 -5.524) 7.462 12.442 ( 0.000 -9.914 -6.423) 11.813 12.691 ( 0.000 14.012 5.261) 14.967 13.277 ( 0.000 9.287 8.235) 12.412 13.676 ( 0.000 0.166 4.827) 4.830 13.944 ( 0.000 -2.361 1.010) 2.568 13.985 ( 0.000 4.272 19.396) 19.861 14.292 ( 0.000 -2.440 -0.249) 2.453 14.346 ( 0.000 -5.371 -4.820) 7.217 14.440 ( 0.000 -0.098 10.621) 10.621 14.713 ( 0.000 10.592 -7.999) 13.273 14.959 ( 0.000 -5.142 5.734) 7.702 15.381 ( 0.000 1.515 -4.296) 4.555 15.529 ( 0.000 -0.358 -3.550) 3.568 17.437 ( 0.000 -4.897 7.801) 9.210 17.493 ( 0.000 -28.772 30.405) 41.861 19.136 ( 0.000 -0.827 -5.042) 5.109 19.227 ( 0.000 -2.451 -3.306) 4.116 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.12 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 14.145 15.374 17.604) 27.319 1.039 ( 17.336 14.275 14.299) 26.623 1.806 ( 30.391 22.135 22.476) 43.804 2.132 ( -0.805 -10.681 -2.873) 11.090 2.367 ( -1.626 -5.420 5.944) 8.206 2.620 ( -2.930 -9.569 -4.286) 10.886 2.857 ( 2.478 3.029 -3.017) 4.941 2.998 ( -4.547 -10.094 -8.976) 14.252 3.044 ( -9.768 1.998 -7.544) 12.502 3.199 ( -4.007 1.147 -8.696) 9.643 3.303 ( 10.372 5.328 -8.415) 14.380 3.388 ( -9.954 10.631 0.900) 14.591 3.534 ( -1.380 10.197 0.638) 10.310 3.754 ( -4.472 12.176 -8.818) 15.685 3.986 ( 7.294 0.239 5.558) 9.173 4.126 ( -4.021 -3.888 -2.800) 6.255 4.208 ( -8.928 -7.995 -0.990) 12.026 4.496 ( 2.279 -8.660 9.914) 13.360 4.718 ( 12.297 -1.612 5.399) 13.526 4.881 ( 3.844 -6.860 0.566) 7.884 5.118 ( 2.601 5.603 -6.052) 8.648 5.327 ( -3.903 8.090 -2.629) 9.359 5.687 ( -5.409 5.975 6.197) 10.167 5.773 ( -0.532 5.549 8.270) 9.973 6.133 ( -2.882 -3.446 -4.313) 6.227 6.263 ( -4.201 -3.335 2.305) 5.838 6.509 ( -1.578 -1.218 -2.964) 3.573 6.796 ( -5.571 5.740 -4.862) 9.361 6.806 ( -12.330 0.773 2.023) 12.518 7.776 ( 6.647 -7.474 -9.338) 13.683 7.918 ( 3.394 2.615 -2.433) 4.927 8.016 ( -2.930 1.902 -1.122) 3.669 8.562 ( 2.654 -4.719 -1.361) 5.583 8.725 ( 32.271 -21.619 -11.500) 40.510 9.354 ( -4.900 1.004 7.558) 9.063 9.903 ( -2.390 -6.765 4.930) 8.706 10.203 ( 3.111 11.769 8.932) 15.099 10.566 ( 3.221 18.437 -11.949) 22.205 11.116 ( -2.358 -0.924 -3.167) 4.055 11.391 ( -5.488 9.802 5.255) 12.403 11.568 ( -7.956 -5.601 -7.999) 12.596 12.183 ( -11.114 0.924 -5.345) 12.367 12.228 ( -6.233 -0.742 -11.970) 13.516 12.439 ( -1.726 -10.083 -6.733) 12.246 12.838 ( 10.258 8.978 2.040) 13.784 13.344 ( 5.924 11.026 4.263) 13.223 13.560 ( -12.286 10.466 6.869) 17.541 13.781 ( 2.729 3.211 3.172) 5.274 14.045 ( 3.357 4.193 21.215) 21.885 14.258 ( 2.279 -3.932 1.537) 4.798 14.399 ( 1.586 3.450 5.380) 6.585 14.432 ( 1.707 -7.959 -1.164) 8.222 14.858 ( 1.843 -1.687 -3.505) 4.304 14.928 ( 1.591 -3.679 -1.795) 4.392 15.319 ( -5.034 0.506 -4.742) 6.934 15.503 ( -3.042 -1.338 -3.146) 4.576 17.499 ( 6.212 -4.634 8.225) 11.301 17.871 ( 21.657 -28.364 9.816) 37.012 19.094 ( -3.979 -0.950 -4.664) 6.204 19.177 ( -4.755 -2.498 -2.932) 6.119 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 14.083 5.533 12.140) 19.399 1.465 ( 21.281 7.456 8.578) 24.125 2.057 ( -6.601 -11.882 -5.306) 14.592 2.295 ( -1.181 -4.583 3.225) 5.727 2.430 ( 7.762 -2.311 -4.209) 9.127 2.640 ( 14.524 1.039 5.770) 15.663 2.789 ( -6.060 6.954 -0.823) 9.261 2.904 ( -1.452 3.304 1.005) 3.746 2.937 ( -0.777 -0.908 -10.057) 10.128 3.104 ( -3.919 -5.524 -5.002) 8.420 3.182 ( -7.504 6.349 1.106) 9.892 3.515 ( 3.306 4.400 -1.613) 5.735 3.618 ( 3.559 10.182 -5.211) 11.979 3.688 ( 8.018 3.718 -5.638) 10.483 3.852 ( -13.298 -5.120 4.857) 15.055 4.096 ( -2.834 2.599 -8.714) 9.525 4.271 ( 12.231 4.746 2.966) 13.451 4.583 ( 5.971 -2.725 6.672) 9.359 4.864 ( -0.879 -1.271 -6.031) 6.226 4.998 ( 9.006 0.169 3.349) 9.610 5.175 ( 2.165 -1.578 -1.616) 3.129 5.283 ( -0.071 3.998 1.026) 4.128 5.574 ( -4.190 4.646 6.729) 9.188 5.737 ( -3.043 5.167 8.467) 10.375 6.015 ( -6.789 -8.721 -9.159) 14.354 6.235 ( -4.181 -4.333 -1.739) 6.267 6.415 ( -8.576 -5.634 -0.456) 10.271 6.550 ( -6.856 -7.586 2.729) 10.583 6.864 ( 8.842 16.663 -0.650) 18.875 7.755 ( -5.079 0.141 -4.917) 7.070 7.891 ( -3.707 1.812 0.120) 4.128 8.152 ( 8.770 -4.814 1.368) 10.098 8.587 ( 1.550 -0.740 5.125) 5.405 9.109 ( 2.294 -2.462 -6.909) 7.685 9.324 ( 5.409 -8.868 -10.044) 14.450 9.834 ( -4.320 -7.689 6.165) 10.760 10.302 ( 6.066 13.242 6.464) 15.935 10.623 ( 2.919 14.280 -4.101) 15.142 11.090 ( -1.149 4.212 -6.409) 7.755 11.357 ( 3.524 1.769 8.961) 9.790 11.403 ( -5.847 1.244 -5.531) 8.144 11.912 ( -13.927 3.604 -0.761) 14.406 12.059 ( -9.722 -1.645 -9.504) 13.695 12.344 ( -7.050 -9.457 -4.729) 12.708 13.054 ( 9.570 6.748 0.319) 11.715 13.383 ( -1.496 10.372 -0.826) 10.512 13.576 ( 10.953 8.914 1.851) 14.243 13.916 ( 8.468 0.944 -0.992) 8.578 14.112 ( 2.298 3.009 14.816) 15.292 14.349 ( 5.773 -4.253 -0.666) 7.201 14.432 ( 1.187 -5.037 1.418) 5.366 14.492 ( 4.062 0.193 1.519) 4.341 14.815 ( -2.326 -2.716 3.598) 5.073 15.004 ( 2.963 -4.101 -8.372) 9.782 15.178 ( -8.262 0.578 -6.144) 10.312 15.406 ( -5.913 -2.024 -4.245) 7.555 17.698 ( 12.637 -3.618 8.132) 15.457 18.203 ( 11.184 -18.003 3.815) 21.535 18.973 ( -7.315 -1.459 -3.493) 8.236 19.024 ( -9.869 -2.555 -1.634) 10.325 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.38 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 8.864 -5.125 5.231) 11.497 1.815 ( 1.937 -1.085 0.204) 2.230 1.960 ( 7.567 -3.749 -1.408) 8.561 2.230 ( -2.835 2.135 -0.298) 3.561 2.445 ( 1.276 1.390 0.078) 1.889 2.676 ( -4.041 3.306 -5.518) 7.597 2.744 ( -2.305 -8.986 -1.628) 9.419 2.820 ( -6.179 -2.694 -7.148) 9.825 2.937 ( -6.502 -1.383 0.290) 6.653 3.071 ( 2.261 -8.859 6.452) 11.190 3.310 ( 0.459 1.360 -2.259) 2.677 3.479 ( 8.221 6.529 -2.600) 10.815 3.534 ( -9.606 -1.654 4.368) 10.681 3.888 ( 21.376 12.866 7.144) 25.952 3.992 ( -3.470 7.570 -12.560) 15.070 4.037 ( 13.536 8.170 -8.894) 18.141 4.478 ( 3.769 7.318 0.038) 8.232 4.717 ( 5.709 2.315 4.279) 7.501 4.809 ( -3.580 3.841 -10.345) 11.602 5.044 ( -5.912 -4.410 -3.593) 8.204 5.234 ( 4.273 -1.216 1.621) 4.729 5.360 ( 7.426 -4.286 4.437) 9.655 5.533 ( -0.010 4.625 7.638) 8.929 5.664 ( -2.805 4.628 9.309) 10.768 5.801 ( -12.425 -5.036 -6.192) 14.767 6.019 ( -13.757 -4.147 0.347) 14.372 6.326 ( 0.796 -8.826 -4.171) 9.795 6.457 ( -3.779 -8.213 0.069) 9.041 7.112 ( 13.183 12.114 2.259) 18.046 7.605 ( -9.087 4.293 -0.256) 10.053 7.872 ( 2.516 -0.619 1.496) 2.992 8.164 ( -6.641 -7.676 11.745) 15.524 8.711 ( 9.463 4.783 -3.693) 11.228 9.047 ( -5.259 3.489 -0.047) 6.312 9.455 ( 5.722 -7.864 -10.369) 14.216 9.719 ( -6.341 -6.478 4.398) 10.076 10.448 ( 7.486 13.981 3.464) 16.233 10.675 ( 0.079 10.334 -0.129) 10.335 11.103 ( 4.512 7.296 -4.043) 9.483 11.347 ( 1.169 1.343 -4.242) 4.601 11.474 ( 2.848 0.555 1.794) 3.411 11.615 ( -13.380 4.596 0.658) 14.163 11.879 ( -4.520 -4.564 -4.727) 7.975 12.162 ( -9.818 -8.606 -2.526) 13.299 13.224 ( 6.475 6.181 0.115) 8.952 13.365 ( -0.901 7.099 -0.493) 7.173 13.820 ( 11.050 5.707 -2.779) 12.744 14.091 ( 3.522 -0.440 1.318) 3.786 14.137 ( 3.897 2.319 -0.227) 4.540 14.403 ( -2.442 -5.812 -2.438) 6.759 14.510 ( 7.326 -4.243 -1.120) 8.540 14.598 ( 5.400 -0.285 2.093) 5.799 14.777 ( -1.454 -1.677 3.187) 3.883 14.981 ( -9.699 1.397 -6.350) 11.676 15.058 ( 2.555 -3.448 -8.039) 9.113 15.269 ( -6.742 -2.261 -5.752) 9.146 18.020 ( 17.443 -2.853 6.655) 18.887 18.404 ( 8.880 -10.308 2.584) 13.849 18.760 ( -14.971 -2.552 0.730) 15.205 18.797 ( -9.304 -2.759 -1.552) 9.828 ======================= Grid point 76 (30/100) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -5.170 -8.130 -0.816) 9.669 1.717 ( 5.170 -8.130 -0.816) 9.669 2.171 ( -5.399 6.396 -0.311) 8.376 2.171 ( 5.399 6.396 -0.311) 8.376 2.562 ( -9.674 -1.393 1.449) 9.881 2.562 ( 9.674 -1.393 1.449) 9.881 2.678 ( -4.757 -1.125 -8.415) 9.732 2.678 ( 4.757 -1.125 -8.415) 9.732 3.012 ( -7.879 -11.728 5.656) 15.219 3.012 ( 7.879 -11.728 5.656) 15.219 3.303 ( -6.417 -2.344 4.576) 8.222 3.303 ( 6.417 -2.344 4.576) 8.222 3.788 ( -11.951 13.456 -10.291) 20.732 3.788 ( 11.951 13.456 -10.291) 20.732 4.301 ( -4.882 5.970 -8.843) 11.734 4.301 ( 4.882 5.970 -8.843) 11.734 4.514 ( -17.415 12.566 5.663) 22.209 4.514 ( 17.415 12.566 5.663) 22.209 4.898 ( -7.870 -3.591 -3.896) 9.487 4.898 ( 7.870 -3.591 -3.896) 9.487 5.380 ( -7.785 -5.357 -2.795) 9.855 5.380 ( 7.785 -5.357 -2.795) 9.855 5.581 ( -5.502 4.493 7.486) 10.319 5.581 ( 5.502 4.493 7.486) 10.319 5.751 ( -9.970 -2.888 3.873) 11.079 5.751 ( 9.970 -2.888 3.873) 11.079 6.379 ( -3.452 -9.152 -3.413) 10.360 6.379 ( 3.452 -9.152 -3.413) 10.360 7.381 ( -11.953 7.811 1.773) 14.389 7.381 ( 11.953 7.811 1.773) 14.389 7.990 ( -8.018 -3.875 7.553) 11.677 7.990 ( 8.018 -3.875 7.553) 11.677 8.905 ( -8.198 4.095 -2.395) 9.471 8.905 ( 8.198 4.095 -2.395) 9.471 9.581 ( -6.431 -5.979 -1.186) 8.861 9.581 ( 6.431 -5.979 -1.186) 8.861 10.599 ( -6.295 12.929 0.806) 14.403 10.599 ( 6.295 12.929 0.806) 14.403 11.294 ( -12.044 3.926 -0.590) 12.681 11.294 ( 12.044 3.926 -0.590) 12.681 11.446 ( -6.085 2.824 -3.508) 7.570 11.446 ( 6.085 2.824 -3.508) 7.570 11.953 ( -9.071 -7.749 -1.033) 11.975 11.953 ( 9.071 -7.749 -1.033) 11.975 13.325 ( -3.187 6.184 -0.034) 6.957 13.325 ( 3.187 6.184 -0.034) 6.957 14.014 ( -6.999 3.095 -0.502) 7.670 14.014 ( 6.999 3.095 -0.502) 7.670 14.299 ( -7.152 -2.953 -5.044) 9.237 14.299 ( 7.152 -2.953 -5.044) 9.237 14.646 ( -3.558 -5.532 0.628) 6.607 14.646 ( 3.558 -5.532 0.628) 6.607 14.798 ( -6.060 2.770 -2.474) 7.107 14.798 ( 6.060 2.770 -2.474) 7.107 15.139 ( -5.209 -2.641 -6.919) 9.055 15.139 ( 5.209 -2.641 -6.919) 9.055 18.404 ( -18.202 -2.562 3.790) 18.768 18.404 ( 18.202 -2.562 3.790) 18.768 18.597 ( -9.411 -5.528 0.738) 10.940 18.597 ( 9.411 -5.528 0.738) 10.940 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 21.037 9.864) 23.234 1.313 ( 0.000 24.807 8.040) 26.078 1.938 ( 0.000 -9.513 -3.240) 10.050 2.053 ( 0.000 18.419 18.713) 26.257 2.253 ( 0.000 -8.646 5.803) 10.413 2.321 ( 0.000 -17.990 -3.862) 18.399 2.717 ( 0.000 -3.572 -6.483) 7.402 3.061 ( 0.000 11.997 -1.272) 12.065 3.079 ( 0.000 -0.833 -11.557) 11.587 3.330 ( 0.000 4.959 -1.221) 5.107 3.370 ( 0.000 3.564 -4.534) 5.767 3.702 ( 0.000 4.959 -4.261) 6.538 3.832 ( 0.000 -8.326 0.059) 8.326 3.838 ( 0.000 8.826 1.833) 9.015 4.014 ( 0.000 -3.636 3.347) 4.942 4.016 ( 0.000 -6.181 0.889) 6.245 4.202 ( 0.000 9.801 -18.056) 20.545 4.315 ( 0.000 -8.241 10.837) 13.614 4.544 ( 0.000 3.677 0.369) 3.695 4.646 ( 0.000 -8.038 1.890) 8.258 5.198 ( 0.000 3.305 -10.543) 11.049 5.380 ( 0.000 -5.446 -3.799) 6.640 5.838 ( 0.000 5.751 19.529) 20.359 6.018 ( 0.000 13.578 -1.633) 13.675 6.118 ( 0.000 -2.120 5.217) 5.632 6.404 ( 0.000 -7.155 -6.116) 9.413 6.445 ( 0.000 2.097 -2.403) 3.189 6.832 ( 0.000 -13.607 8.803) 16.206 7.185 ( 0.000 -0.956 -15.252) 15.282 7.271 ( 0.000 -0.838 -16.829) 16.850 7.932 ( 0.000 7.229 -4.847) 8.703 8.079 ( 0.000 -0.292 2.888) 2.902 8.125 ( 0.000 1.143 8.012) 8.094 8.379 ( 0.000 -8.717 -0.064) 8.717 9.471 ( 0.000 4.610 7.442) 8.754 9.780 ( 0.000 -8.637 3.155) 9.195 10.432 ( 0.000 13.637 8.469) 16.053 10.723 ( 0.000 2.890 -5.202) 5.951 11.184 ( 0.000 3.617 -4.647) 5.889 11.470 ( 0.000 -9.338 -8.792) 12.825 11.720 ( 0.000 12.612 -0.152) 12.613 12.225 ( 0.000 -10.051 -3.368) 10.601 12.252 ( 0.000 -2.115 -15.891) 16.031 12.266 ( 0.000 -4.643 -8.668) 9.833 13.072 ( 0.000 22.317 2.686) 22.478 13.528 ( 0.000 13.426 5.509) 14.512 13.697 ( 0.000 1.173 1.161) 1.650 13.880 ( 0.000 -3.893 0.860) 3.987 14.007 ( 0.000 -5.843 9.656) 11.286 14.171 ( 0.000 -9.190 3.420) 9.805 14.271 ( 0.000 2.416 7.712) 8.082 14.457 ( 0.000 0.413 9.893) 9.901 14.812 ( 0.000 0.329 -6.167) 6.176 14.838 ( 0.000 -5.548 3.699) 6.668 15.420 ( 0.000 2.239 -3.269) 3.962 15.509 ( 0.000 -1.650 -2.761) 3.216 17.173 ( 0.000 -5.395 19.175) 19.919 17.309 ( 0.000 -7.131 7.626) 10.441 19.120 ( 0.000 -0.505 -4.716) 4.743 19.168 ( 0.000 -2.866 -3.662) 4.650 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.12 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 7.571 15.097 10.050) 19.653 1.434 ( 7.850 21.543 10.812) 25.350 1.904 ( -2.464 -10.587 -2.219) 11.094 2.197 ( 3.730 -1.758 11.531) 12.246 2.252 ( 6.670 0.335 1.792) 6.915 2.376 ( 4.239 -12.179 -2.590) 13.153 2.735 ( 1.985 -1.021 -5.354) 5.801 2.953 ( -2.330 5.391 -4.522) 7.412 3.188 ( -2.629 -0.922 -3.379) 4.379 3.205 ( -5.887 10.961 -2.317) 12.656 3.430 ( 7.891 2.382 -5.989) 10.189 3.646 ( -11.661 8.575 -0.722) 14.492 3.715 ( -4.235 3.834 3.054) 6.478 3.790 ( -2.205 -1.814 -2.579) 3.848 3.999 ( -7.397 -2.010 0.917) 7.720 4.073 ( 3.626 1.510 -9.766) 10.527 4.114 ( 5.842 -2.905 -1.160) 6.626 4.424 ( 7.292 1.204 4.458) 8.631 4.689 ( 3.304 -8.445 1.722) 9.231 4.721 ( 11.651 1.065 2.672) 12.000 5.210 ( 1.048 2.297 -10.200) 10.508 5.343 ( -2.924 -4.343 -3.967) 6.569 5.776 ( -4.977 5.653 15.126) 16.897 5.973 ( -3.916 11.318 0.304) 11.980 6.138 ( 0.956 -4.780 6.134) 7.835 6.178 ( -13.669 1.783 -4.421) 14.477 6.448 ( -2.991 -4.081 -1.097) 5.177 6.598 ( -14.172 -11.206 4.109) 18.528 7.090 ( 1.572 13.396 -9.066) 16.252 7.574 ( 10.924 -11.550 -10.699) 19.163 7.984 ( 0.765 3.608 0.407) 3.710 8.048 ( -2.141 0.858 2.520) 3.417 8.408 ( 14.176 -5.357 6.011) 16.303 8.499 ( 18.669 -6.051 -12.843) 23.454 9.416 ( -4.587 5.219 6.500) 9.515 9.744 ( -3.193 -8.894 4.389) 10.420 10.480 ( 4.520 14.374 7.040) 16.631 10.786 ( 4.847 3.575 -6.485) 8.850 11.138 ( -2.893 3.330 -2.169) 4.915 11.407 ( -5.499 -7.839 -3.073) 10.056 11.646 ( -5.080 13.092 -2.092) 14.198 12.174 ( -7.086 -5.145 -10.612) 13.759 12.199 ( -5.762 -1.680 -10.583) 12.166 12.217 ( -2.399 -8.319 -4.842) 9.919 13.138 ( 5.717 19.651 2.340) 20.599 13.603 ( 6.454 12.709 3.198) 14.608 13.697 ( -1.859 3.383 -0.619) 3.910 13.840 ( 0.124 1.206 1.938) 2.286 14.060 ( 3.397 -7.141 8.930) 11.928 14.175 ( 1.205 -5.872 5.815) 8.351 14.288 ( 1.369 0.306 5.924) 6.088 14.454 ( 0.927 0.896 6.978) 7.096 14.799 ( -1.937 -3.165 1.880) 4.160 14.852 ( 2.071 -3.476 -5.382) 6.733 15.343 ( -5.831 2.057 -3.723) 7.217 15.462 ( -4.270 -2.700 -3.049) 5.901 17.383 ( 9.253 -6.003 9.437) 14.515 17.446 ( 18.221 -12.247 11.892) 24.968 19.075 ( -4.292 -0.666 -4.366) 6.158 19.118 ( -4.758 -2.827 -3.355) 6.472 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 6.274 8.996 14.487) 18.170 1.622 ( 11.833 9.338 6.115) 16.266 1.836 ( -4.075 -8.255 -1.238) 9.289 2.164 ( -1.862 -9.157 7.113) 11.744 2.352 ( 1.674 -6.633 0.543) 6.863 2.522 ( 4.913 -13.146 -6.990) 15.678 2.740 ( -3.445 -1.097 -5.557) 6.630 2.929 ( -4.895 -1.175 -5.173) 7.218 3.088 ( -8.353 8.392 -4.027) 12.507 3.195 ( 10.317 17.598 7.515) 21.739 3.381 ( -6.749 9.743 -0.746) 11.876 3.494 ( -7.664 -5.230 -2.197) 9.535 3.718 ( -11.010 -4.450 -1.860) 12.020 3.779 ( 12.322 -1.343 -3.185) 12.797 3.902 ( 10.440 16.065 -2.417) 19.311 4.187 ( 5.298 3.969 -14.051) 15.533 4.347 ( 13.523 2.095 1.427) 13.759 4.600 ( 8.963 3.198 5.204) 10.846 4.747 ( 1.478 -6.660 -3.733) 7.777 4.947 ( 9.629 -2.774 5.993) 11.676 5.223 ( -0.450 1.034 -7.114) 7.203 5.284 ( -2.439 -2.813 -2.925) 4.735 5.672 ( -4.199 5.770 11.643) 13.655 5.857 ( -7.559 5.750 3.925) 10.276 5.948 ( -7.709 2.623 -6.173) 10.218 6.137 ( -1.075 -6.398 2.513) 6.958 6.248 ( -15.613 -8.812 3.800) 18.327 6.391 ( -5.532 -7.510 -0.580) 9.346 7.190 ( 7.295 15.236 -1.334) 16.945 7.698 ( 1.821 -7.193 -6.371) 9.779 7.933 ( -4.668 2.150 5.445) 7.488 8.035 ( -0.292 -4.828 8.108) 9.441 8.625 ( 10.622 4.676 -4.137) 12.321 8.953 ( 17.263 -10.242 -14.455) 24.736 9.310 ( -4.868 5.346 4.089) 8.307 9.660 ( -4.532 -9.413 5.608) 11.857 10.614 ( 7.872 16.192 4.873) 18.652 10.861 ( 1.866 8.413 -5.872) 10.428 11.148 ( 4.247 0.475 -2.062) 4.745 11.308 ( -1.826 -5.350 3.446) 6.621 11.542 ( -4.697 11.119 -2.997) 12.437 11.969 ( -11.860 0.381 -6.950) 13.752 12.025 ( -10.582 -1.273 -9.425) 14.228 12.114 ( -6.981 -11.677 -3.343) 14.009 13.283 ( 7.357 15.794 1.724) 17.509 13.622 ( -3.199 11.302 -0.293) 11.750 13.769 ( 8.123 7.888 0.331) 11.328 13.926 ( 6.292 -0.365 -0.691) 6.340 14.112 ( 1.708 -7.206 8.746) 11.460 14.249 ( 5.172 -4.647 -1.084) 7.037 14.322 ( 1.794 -0.392 4.013) 4.413 14.500 ( 2.820 -1.367 4.114) 5.172 14.764 ( -0.921 -1.067 1.416) 1.998 14.901 ( 2.440 -5.580 -6.918) 9.217 15.202 ( -7.499 2.069 -5.501) 9.528 15.346 ( -6.385 -3.746 -4.519) 8.673 17.624 ( 14.167 -2.698 8.307) 16.643 17.840 ( 17.140 -15.306 7.800) 24.267 18.942 ( -8.319 -1.352 -3.151) 8.998 18.966 ( -9.741 -2.661 -2.127) 10.320 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 2.566 5.156 10.565) 12.032 1.737 ( -5.064 -2.483 1.371) 5.805 1.906 ( 13.455 -3.073 4.302) 14.456 2.153 ( 0.650 -11.953 4.164) 12.675 2.424 ( 5.411 -5.256 1.964) 7.795 2.560 ( -0.082 -9.587 -5.391) 11.000 2.648 ( -3.685 0.071 -1.551) 3.999 2.788 ( -9.827 -0.861 -6.294) 11.702 2.940 ( -2.321 3.192 1.820) 4.346 3.063 ( -10.096 8.179 2.557) 13.242 3.257 ( -8.434 -5.598 -0.065) 10.123 3.425 ( -12.898 -6.324 3.462) 14.776 3.769 ( 21.118 16.996 -8.342) 28.362 4.112 ( 12.215 3.736 -17.088) 21.335 4.217 ( 18.833 17.097 2.324) 25.542 4.267 ( 4.046 11.340 -12.897) 17.644 4.623 ( 9.212 4.258 2.879) 10.550 4.725 ( -0.060 -9.897 -15.858) 18.693 4.781 ( 5.601 5.336 1.310) 7.847 5.091 ( -0.717 1.521 2.843) 3.302 5.184 ( -1.975 2.899 4.025) 5.339 5.239 ( 0.159 -7.822 1.883) 8.047 5.589 ( -4.317 -4.584 12.700) 14.176 5.694 ( -6.759 3.904 -2.826) 8.302 5.799 ( -6.548 2.085 7.041) 9.838 5.943 ( -11.138 -0.670 1.920) 11.322 6.123 ( 0.467 -10.231 -1.806) 10.399 6.275 ( -5.539 -9.100 -1.261) 10.727 7.371 ( 9.280 12.696 2.737) 15.962 7.685 ( -3.277 2.164 -0.482) 3.957 7.849 ( -1.812 -1.556 4.113) 4.756 7.983 ( -4.470 -8.684 11.359) 14.981 8.847 ( 9.925 8.397 -5.874) 14.266 9.148 ( -1.679 4.887 -1.456) 5.369 9.276 ( 5.413 -7.747 -6.375) 11.400 9.553 ( -5.692 -9.459 3.845) 11.690 10.792 ( 8.317 18.462 3.529) 20.554 10.914 ( 3.319 12.113 -2.543) 12.814 11.240 ( 4.786 3.088 -2.983) 6.430 11.358 ( 3.345 -1.563 -1.783) 4.100 11.490 ( 1.622 2.375 1.624) 3.303 11.700 ( -12.634 2.816 -3.921) 13.525 11.780 ( -11.281 -3.873 -6.903) 13.781 11.941 ( -9.203 -12.135 -2.065) 15.369 13.424 ( 5.712 13.591 1.546) 14.823 13.571 ( -2.071 12.445 0.513) 12.626 13.926 ( 6.461 1.468 0.373) 6.636 14.041 ( 2.914 -5.954 0.483) 6.646 14.158 ( 3.580 -1.418 -0.616) 3.899 14.310 ( -0.568 1.058 -1.027) 1.580 14.401 ( 5.963 -6.347 -2.386) 9.030 14.546 ( 0.869 -4.972 1.919) 5.400 14.774 ( 2.171 1.970 -1.011) 3.101 14.961 ( 3.534 -5.394 -7.168) 9.642 15.032 ( -8.319 3.239 -6.521) 11.056 15.203 ( -6.990 -4.070 -5.978) 10.058 17.968 ( 18.008 -1.398 6.626) 19.239 18.169 ( 14.613 -11.290 4.852) 19.093 18.706 ( -14.699 -2.187 0.285) 14.864 18.732 ( -11.603 -3.145 -0.948) 12.059 ======================= Grid point 85 (35/100) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -3.894 1.924 5.423) 6.948 1.639 ( 3.894 1.924 5.423) 6.948 2.125 ( -5.678 -12.395 3.442) 14.061 2.125 ( 5.678 -12.395 3.442) 14.061 2.541 ( -3.613 0.100 -1.628) 3.964 2.541 ( 3.613 0.100 -1.628) 3.964 2.617 ( -3.426 -3.521 -2.854) 5.682 2.617 ( 3.426 -3.521 -2.854) 5.682 2.931 ( -1.699 4.233 2.692) 5.296 2.931 ( 1.699 4.233 2.692) 5.296 3.217 ( -5.524 -5.953 3.592) 8.880 3.217 ( 5.524 -5.953 3.592) 8.880 4.092 ( -9.661 15.662 -16.029) 24.404 4.092 ( 9.661 15.662 -16.029) 24.404 4.464 ( -8.616 6.484 -12.931) 16.837 4.464 ( 8.616 6.484 -12.931) 16.837 4.724 ( -14.707 3.062 -5.793) 16.101 4.724 ( 14.707 3.062 -5.793) 16.101 4.878 ( -7.039 7.051 5.034) 11.163 4.878 ( 7.039 7.051 5.034) 11.163 5.239 ( -3.132 -6.830 3.233) 8.180 5.239 ( 3.132 -6.830 3.233) 8.180 5.559 ( -3.544 -9.001 11.435) 14.977 5.559 ( 3.544 -9.001 11.435) 14.977 5.783 ( -4.224 7.643 2.727) 9.148 5.783 ( 4.224 7.643 2.727) 9.148 6.171 ( -3.918 -10.557 -2.902) 11.628 6.171 ( 3.918 -10.557 -2.902) 11.628 7.558 ( -8.048 9.007 3.419) 12.553 7.558 ( 8.048 9.007 3.419) 12.553 7.882 ( -4.167 -6.576 6.837) 10.361 7.882 ( 4.167 -6.576 6.837) 10.361 9.031 ( -7.460 8.126 -2.486) 11.308 9.031 ( 7.460 8.126 -2.486) 11.308 9.421 ( -6.799 -9.409 -1.555) 11.712 9.421 ( 6.799 -9.409 -1.555) 11.712 10.927 ( -3.492 18.179 0.612) 18.521 10.927 ( 3.492 18.179 0.612) 18.521 11.376 ( -6.803 2.661 -1.259) 7.412 11.376 ( 6.803 2.661 -1.259) 7.412 11.498 ( -6.331 1.856 -4.910) 8.224 11.498 ( 6.331 1.856 -4.910) 8.224 11.745 ( -8.277 -11.750 -0.829) 14.397 11.745 ( 8.277 -11.750 -0.829) 14.397 13.518 ( -3.280 12.712 1.237) 13.186 13.518 ( 3.280 12.712 1.237) 13.186 14.030 ( -3.185 -5.085 1.892) 6.292 14.030 ( 3.185 -5.085 1.892) 6.292 14.254 ( -4.325 1.524 -4.566) 6.471 14.254 ( 4.325 1.524 -4.566) 6.471 14.514 ( -3.956 -7.275 -1.135) 8.359 14.514 ( 3.956 -7.275 -1.135) 8.359 14.867 ( -6.557 4.123 -4.698) 9.059 14.867 ( 6.557 4.123 -4.698) 9.059 15.064 ( -5.934 -4.602 -6.712) 10.072 15.064 ( 5.934 -4.602 -6.712) 10.072 18.355 ( -17.979 -1.538 3.497) 18.380 18.355 ( 17.979 -1.538 3.497) 18.380 18.466 ( -13.370 -6.539 1.952) 15.011 18.466 ( 13.370 -6.539 1.952) 15.011 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.000 -12.292 0.133) 12.292 1.631 ( 0.000 12.292 0.133) 12.292 1.857 ( 0.000 -18.496 6.938) 19.754 1.857 ( 0.000 18.496 6.938) 19.754 2.168 ( 0.000 -1.903 0.584) 1.991 2.168 ( 0.000 1.903 0.584) 1.991 2.946 ( 0.000 -14.704 -3.721) 15.167 2.946 ( 0.000 14.704 -3.721) 15.167 3.294 ( 0.000 -8.794 1.362) 8.899 3.294 ( 0.000 8.794 1.362) 8.899 3.504 ( 0.000 -13.655 -1.797) 13.773 3.504 ( 0.000 13.655 -1.797) 13.773 3.829 ( 0.000 -4.927 -7.733) 9.169 3.829 ( 0.000 4.927 -7.733) 9.169 4.072 ( 0.000 -2.341 5.575) 6.047 4.072 ( 0.000 2.341 5.575) 6.047 4.207 ( 0.000 -3.629 4.238) 5.580 4.207 ( 0.000 3.629 4.238) 5.580 4.591 ( 0.000 -0.188 -7.658) 7.660 4.591 ( 0.000 0.188 -7.658) 7.660 5.263 ( 0.000 -4.578 -6.518) 7.965 5.263 ( 0.000 4.578 -6.518) 7.965 6.000 ( 0.000 -8.800 17.468) 19.559 6.000 ( 0.000 8.800 17.468) 19.559 6.252 ( 0.000 -8.819 -7.022) 11.273 6.252 ( 0.000 8.819 -7.022) 11.273 6.554 ( 0.000 -10.112 3.740) 10.781 6.554 ( 0.000 10.112 3.740) 10.781 7.234 ( 0.000 -2.808 -17.179) 17.407 7.234 ( 0.000 2.808 -17.179) 17.407 8.054 ( 0.000 -3.101 -2.762) 4.152 8.054 ( 0.000 3.101 -2.762) 4.152 8.202 ( 0.000 -7.491 6.280) 9.775 8.202 ( 0.000 7.491 6.280) 9.775 9.604 ( 0.000 -8.212 4.495) 9.361 9.604 ( 0.000 8.212 4.495) 9.361 10.664 ( 0.000 -8.136 3.198) 8.741 10.664 ( 0.000 8.136 3.198) 8.741 11.298 ( 0.000 -7.384 -5.338) 9.112 11.298 ( 0.000 7.384 -5.338) 9.112 11.981 ( 0.000 -12.910 -1.558) 13.004 11.981 ( 0.000 12.910 -1.558) 13.004 12.226 ( 0.000 -0.039 -13.526) 13.526 12.226 ( 0.000 0.039 -13.526) 13.526 13.512 ( 0.000 -18.026 -0.221) 18.027 13.512 ( 0.000 18.026 -0.221) 18.027 13.784 ( 0.000 -6.360 1.382) 6.508 13.784 ( 0.000 6.360 1.382) 6.508 13.968 ( 0.000 -7.907 6.391) 10.167 13.968 ( 0.000 7.907 6.391) 10.167 14.396 ( 0.000 -6.530 13.042) 14.586 14.396 ( 0.000 6.530 13.042) 14.586 14.790 ( 0.000 -0.796 -1.248) 1.480 14.790 ( 0.000 0.796 -1.248) 1.480 15.467 ( 0.000 -2.330 -2.634) 3.517 15.467 ( 0.000 2.330 -2.634) 3.517 17.181 ( 0.000 -4.555 10.062) 11.045 17.181 ( 0.000 4.555 10.062) 11.045 19.126 ( 0.000 -1.181 -4.220) 4.382 19.126 ( 0.000 1.181 -4.220) 4.382 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.352 -12.954 0.875) 12.988 1.622 ( 0.352 12.954 0.875) 12.988 1.907 ( 2.114 -19.348 12.115) 22.925 1.907 ( 2.114 19.348 12.115) 22.925 2.220 ( 4.220 -3.963 -3.696) 6.869 2.220 ( 4.220 3.963 -3.696) 6.869 2.935 ( -2.704 -9.893 -9.257) 13.816 2.935 ( -2.704 9.893 -9.257) 13.816 3.300 ( 5.070 -11.325 5.629) 13.625 3.300 ( 5.070 11.325 5.629) 13.625 3.461 ( -4.464 -12.812 -1.955) 13.707 3.461 ( -4.464 12.812 -1.955) 13.707 3.881 ( -9.004 -8.000 0.823) 12.073 3.881 ( -9.004 8.000 0.823) 12.073 3.945 ( 3.502 -7.615 -5.048) 9.785 3.945 ( 3.502 7.615 -5.048) 9.785 4.281 ( 7.309 -13.229 0.657) 15.128 4.281 ( 7.309 13.229 0.657) 15.128 4.701 ( 7.366 -4.750 -1.444) 8.883 4.701 ( 7.366 4.750 -1.444) 8.883 5.248 ( -1.200 -3.413 -6.286) 7.252 5.248 ( -1.200 3.413 -6.286) 7.252 5.946 ( -4.184 -10.106 12.193) 16.381 5.946 ( -4.184 10.106 12.193) 16.381 6.185 ( -6.154 -6.434 -2.929) 9.372 6.185 ( -6.154 6.434 -2.929) 9.372 6.419 ( -9.345 -4.404 1.340) 10.417 6.419 ( -9.345 4.404 1.340) 10.417 7.339 ( 7.032 -11.671 -9.715) 16.734 7.339 ( 7.032 11.671 -9.715) 16.734 8.041 ( -1.861 -1.647 3.739) 4.490 8.041 ( -1.861 1.647 3.739) 4.490 8.397 ( 16.467 -3.274 -4.450) 17.369 8.397 ( 16.467 3.274 -4.450) 17.369 9.560 ( -3.741 -8.670 4.910) 10.643 9.560 ( -3.741 8.670 4.910) 10.643 10.727 ( 5.623 -8.662 1.857) 10.492 10.727 ( 5.623 8.662 1.857) 10.492 11.249 ( -3.904 -7.216 -2.507) 8.579 11.249 ( -3.904 7.216 -2.507) 8.579 11.924 ( -4.751 -13.950 -3.793) 15.217 11.924 ( -4.751 13.950 -3.793) 15.217 12.181 ( -4.792 -0.148 -11.275) 12.252 12.181 ( -4.792 0.148 -11.275) 12.252 13.546 ( 3.171 -17.481 -0.105) 17.766 13.546 ( 3.171 17.481 -0.105) 17.766 13.814 ( 2.256 -4.084 2.052) 5.097 13.814 ( 2.256 4.084 2.052) 5.097 14.004 ( 3.348 -7.095 4.186) 8.892 14.004 ( 3.348 7.095 4.186) 8.892 14.398 ( 0.437 -6.027 10.823) 12.396 14.398 ( 0.437 6.027 10.823) 12.396 14.789 ( 0.009 -2.210 -1.837) 2.874 14.789 ( 0.009 2.210 -1.837) 2.874 15.399 ( -5.587 -3.262 -3.267) 7.247 15.399 ( -5.587 3.262 -3.267) 7.247 17.323 ( 12.192 -1.314 9.671) 15.617 17.323 ( 12.192 1.314 9.671) 15.617 19.077 ( -4.597 -1.064 -3.901) 6.122 19.077 ( -4.597 1.064 -3.901) 6.122 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 3.130 -6.915 2.710) 8.060 1.660 ( 3.130 6.915 2.710) 8.060 1.911 ( -1.266 -14.504 13.593) 19.918 1.911 ( -1.266 14.504 13.593) 19.918 2.301 ( 3.367 -4.789 -3.004) 6.580 2.301 ( 3.367 4.789 -3.004) 6.580 2.830 ( -5.526 -6.593 -7.292) 11.277 2.830 ( -5.526 6.593 -7.292) 11.277 3.282 ( -9.681 -10.325 -3.452) 14.569 3.282 ( -9.681 10.325 -3.452) 14.569 3.546 ( -7.224 -11.876 -1.209) 13.953 3.546 ( -7.224 11.876 -1.209) 13.953 3.645 ( 12.280 -10.920 2.789) 16.668 3.645 ( 12.280 10.920 2.789) 16.668 4.161 ( 12.876 -7.346 -6.501) 16.187 4.161 ( 12.876 7.346 -6.501) 16.187 4.454 ( 7.586 -10.819 -5.614) 14.357 4.454 ( 7.586 10.819 -5.614) 14.357 4.851 ( 6.976 -9.031 5.246) 12.560 4.851 ( 6.976 9.031 5.246) 12.560 5.219 ( -1.566 -2.793 -4.365) 5.413 5.219 ( -1.566 2.793 -4.365) 5.413 5.870 ( -2.987 -11.900 5.298) 13.364 5.870 ( -2.987 11.900 5.298) 13.364 5.980 ( -12.780 -5.846 2.122) 14.213 5.980 ( -12.780 5.846 2.122) 14.213 6.243 ( -7.181 -6.435 0.350) 9.649 6.243 ( -7.181 6.435 0.350) 9.649 7.478 ( 6.184 -13.241 -2.578) 14.839 7.478 ( 6.184 13.241 -2.578) 14.839 7.974 ( -4.407 -2.043 7.431) 8.878 7.974 ( -4.407 2.043 7.431) 8.878 8.761 ( 15.925 -8.428 -10.223) 20.716 8.761 ( 15.925 8.428 -10.223) 20.716 9.466 ( -4.918 -9.308 4.943) 11.630 9.466 ( -4.918 9.308 4.943) 11.630 10.884 ( 8.863 -8.088 -0.782) 12.024 10.884 ( 8.863 8.088 -0.782) 12.024 11.183 ( -1.170 -5.362 1.924) 5.816 11.183 ( -1.170 5.362 1.924) 5.816 11.801 ( -6.770 -13.462 -5.280) 15.967 11.801 ( -6.770 13.462 -5.280) 15.967 12.017 ( -10.463 -0.443 -7.811) 13.065 12.017 ( -10.463 0.443 -7.811) 13.065 13.634 ( 4.799 -15.474 0.154) 16.202 13.634 ( 4.799 15.474 0.154) 16.202 13.849 ( 0.679 -5.467 3.750) 6.664 13.849 ( 0.679 5.467 3.750) 6.664 14.107 ( 6.172 -7.638 -1.462) 9.928 14.107 ( 6.172 7.638 -1.462) 9.928 14.416 ( 1.003 -6.092 6.403) 8.894 14.416 ( 1.003 6.092 6.403) 8.894 14.799 ( 1.196 -4.032 -3.361) 5.383 14.799 ( 1.196 4.032 -3.361) 5.383 15.265 ( -6.888 -3.933 -4.940) 9.344 15.265 ( -6.888 3.933 -4.940) 9.344 17.635 ( 16.518 -4.808 8.546) 19.209 17.635 ( 16.518 4.808 8.546) 19.209 18.932 ( -9.249 -0.583 -2.677) 9.646 18.932 ( -9.249 0.583 -2.677) 9.646 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 3.852 -4.094 5.258) 7.697 1.738 ( 3.852 4.094 5.258) 7.697 1.872 ( -2.328 -8.367 9.965) 13.219 1.872 ( -2.328 8.367 9.965) 13.219 2.392 ( 6.082 -3.212 -1.360) 7.012 2.392 ( 6.082 3.212 -1.360) 7.012 2.728 ( -5.185 -4.162 -4.081) 7.802 2.728 ( -5.185 4.162 -4.081) 7.802 3.080 ( -7.013 -8.130 -1.066) 10.789 3.080 ( -7.013 8.130 -1.066) 10.789 3.274 ( -12.138 -8.266 3.078) 15.005 3.274 ( -12.138 8.266 3.078) 15.005 4.066 ( 19.159 -9.708 -13.318) 25.272 4.066 ( 19.159 9.708 -13.318) 25.272 4.444 ( 9.368 -3.213 -13.460) 16.710 4.444 ( 9.368 3.213 -13.460) 16.710 4.575 ( 7.373 -3.763 -2.854) 8.756 4.575 ( 7.373 3.763 -2.854) 8.756 4.972 ( 2.664 -10.861 2.757) 11.518 4.972 ( 2.664 10.861 2.757) 11.518 5.199 ( 0.952 -4.825 3.643) 6.120 5.199 ( 0.952 4.825 3.643) 6.120 5.620 ( -17.078 -9.066 11.142) 22.316 5.620 ( -17.078 9.066 11.142) 22.316 5.890 ( 1.764 -7.694 -1.264) 7.994 5.890 ( 1.764 7.694 -1.264) 7.994 6.098 ( -6.820 -7.918 0.386) 10.458 6.098 ( -6.820 7.918 0.386) 10.458 7.604 ( 5.932 -9.646 1.677) 11.448 7.604 ( 5.932 9.646 1.677) 11.448 7.863 ( -5.988 -3.424 7.845) 10.446 7.863 ( -5.988 3.424 7.845) 10.446 9.037 ( 10.437 -9.939 -7.832) 16.403 9.037 ( 10.437 9.939 -7.832) 16.403 9.355 ( -5.714 -9.535 2.744) 11.449 9.355 ( -5.714 9.535 2.744) 11.449 11.085 ( 10.024 -2.134 -2.312) 10.506 11.085 ( 10.024 2.134 -2.312) 10.506 11.227 ( 4.893 -4.374 3.244) 7.321 11.227 ( 4.893 4.374 3.244) 7.321 11.643 ( -7.858 -9.709 -4.789) 13.377 11.643 ( -7.858 9.709 -4.789) 13.377 11.767 ( -12.431 -2.682 -4.677) 13.550 11.767 ( -12.431 2.682 -4.677) 13.550 13.733 ( 4.270 -12.642 0.801) 13.368 13.733 ( 4.270 12.642 0.801) 13.368 13.845 ( -0.998 -7.934 3.400) 8.689 13.845 ( -0.998 7.934 3.400) 8.689 14.244 ( 6.462 -7.545 -4.399) 10.865 14.244 ( 6.462 7.545 -4.399) 10.865 14.421 ( -1.028 -6.592 1.641) 6.870 14.421 ( -1.028 6.592 1.641) 6.870 14.850 ( 3.889 -5.123 -5.010) 8.153 14.850 ( 3.889 5.123 -5.010) 8.153 15.113 ( -7.410 -4.536 -6.284) 10.722 15.113 ( -7.410 4.536 -6.284) 10.722 17.998 ( 17.687 -4.977 6.231) 19.402 17.998 ( 17.687 4.977 6.231) 19.402 18.689 ( -13.664 -0.731 -0.297) 13.687 18.689 ( -13.664 0.731 -0.297) 13.687 ======================= Grid point 98 (40/100) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -1.235 -14.327 7.371) 16.160 1.813 ( 0.576 -14.317 7.371) 16.113 1.813 ( -0.576 14.317 7.371) 16.113 1.813 ( 1.235 14.327 7.371) 16.160 2.564 ( -9.324 -1.671 -2.875) 9.899 2.564 ( -8.896 0.920 -2.875) 9.394 2.564 ( 8.896 -0.920 -2.875) 9.394 2.564 ( 9.324 1.671 -2.875) 9.899 3.073 ( -5.503 -7.850 2.765) 9.978 3.073 ( 4.133 -7.637 2.765) 9.113 3.073 ( -4.133 7.637 2.765) 9.113 3.073 ( 5.503 7.850 2.765) 9.978 4.382 ( -8.802 -11.611 -19.097) 24.020 4.382 ( 3.546 -10.890 -19.097) 22.268 4.382 ( -3.546 10.890 -19.097) 22.268 4.382 ( 8.802 11.611 -19.097) 24.020 4.867 ( -12.439 -9.826 -3.486) 16.231 4.867 ( 6.773 -8.327 -3.486) 11.286 4.867 ( -6.773 8.327 -3.486) 11.286 4.867 ( 12.439 9.826 -3.486) 16.231 5.313 ( -6.777 -12.482 15.050) 20.694 5.313 ( 0.302 -12.015 15.050) 19.260 5.313 ( -0.302 12.015 15.050) 19.260 5.313 ( 6.777 12.482 15.050) 20.694 5.966 ( -4.758 -9.703 -0.670) 10.828 5.966 ( 3.907 -9.607 -0.670) 10.393 5.966 ( -3.907 9.607 -0.670) 10.393 5.966 ( 4.758 9.703 -0.670) 10.828 7.732 ( -5.162 -7.913 5.376) 10.870 7.732 ( 2.424 -7.578 5.376) 9.602 7.732 ( -2.424 7.578 5.376) 9.602 7.732 ( 5.162 7.913 5.376) 10.870 9.219 ( -7.173 -10.076 -2.116) 12.548 9.219 ( 6.615 -9.980 -2.116) 12.159 9.219 ( -6.615 9.980 -2.116) 12.159 9.219 ( 7.173 10.076 -2.116) 12.548 11.272 ( -2.977 -13.719 -0.305) 14.042 11.272 ( 1.569 -13.661 -0.305) 13.754 11.272 ( -1.569 13.661 -0.305) 13.754 11.272 ( 2.977 13.719 -0.305) 14.042 11.561 ( -3.377 -5.217 -3.346) 7.058 11.561 ( 1.331 -4.981 -3.346) 6.146 11.561 ( -1.331 4.981 -3.346) 6.146 11.561 ( 3.377 5.217 -3.346) 7.058 13.806 ( -1.962 -14.475 2.031) 14.748 13.806 ( 1.707 -14.467 2.031) 14.709 13.806 ( -1.707 14.467 2.031) 14.709 13.806 ( 1.962 14.475 2.031) 14.748 14.363 ( -4.385 -7.300 -2.826) 8.973 14.363 ( 4.232 -7.277 -2.826) 8.880 14.363 ( -4.232 7.277 -2.826) 8.880 14.363 ( 4.385 7.300 -2.826) 8.973 14.963 ( -6.570 -5.151 -6.138) 10.362 14.963 ( 6.409 -5.100 -6.138) 10.235 14.963 ( -6.409 5.100 -6.138) 10.235 14.963 ( 6.570 5.151 -6.138) 10.362 18.365 ( -16.781 -2.853 2.948) 17.276 18.365 ( -16.740 2.792 2.948) 17.225 18.365 ( 16.740 -2.792 2.948) 17.225 18.365 ( 16.781 2.853 2.948) 17.276 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 0.000 24.736) 24.736 1.095 ( 0.000 0.000 25.226) 25.226 2.097 ( 0.000 0.000 49.105) 49.105 2.211 ( 0.000 0.000 -6.645) 6.645 2.524 ( 0.000 0.000 0.638) 0.638 2.604 ( 0.000 0.000 -8.132) 8.132 2.665 ( 0.000 0.000 -6.710) 6.710 2.800 ( 0.000 0.000 -16.793) 16.793 2.849 ( 0.000 0.000 -5.214) 5.214 2.990 ( 0.000 0.000 -15.113) 15.113 3.310 ( 0.000 0.000 2.156) 2.156 3.318 ( 0.000 0.000 -3.668) 3.668 3.454 ( 0.000 0.000 3.053) 3.053 3.591 ( 0.000 0.000 2.911) 2.911 3.966 ( 0.000 0.000 6.727) 6.727 4.414 ( 0.000 0.000 -5.351) 5.351 4.450 ( 0.000 0.000 -0.426) 0.426 4.667 ( 0.000 0.000 1.745) 1.745 4.787 ( 0.000 0.000 -6.393) 6.393 4.853 ( 0.000 0.000 11.715) 11.715 4.938 ( 0.000 0.000 0.754) 0.754 5.130 ( 0.000 0.000 0.556) 0.556 5.670 ( 0.000 0.000 2.755) 2.755 6.003 ( 0.000 0.000 -6.083) 6.083 6.136 ( 0.000 0.000 20.035) 20.035 6.186 ( 0.000 0.000 -19.500) 19.500 6.287 ( 0.000 0.000 -11.779) 11.779 6.662 ( 0.000 0.000 -6.955) 6.955 6.830 ( 0.000 0.000 -24.911) 24.911 7.723 ( 0.000 0.000 -1.997) 1.997 7.754 ( 0.000 0.000 -10.015) 10.015 7.919 ( 0.000 0.000 -6.955) 6.955 8.217 ( 0.000 0.000 5.916) 5.916 8.794 ( 0.000 0.000 -1.212) 1.212 9.701 ( 0.000 0.000 16.728) 16.728 10.102 ( 0.000 0.000 3.011) 3.011 10.209 ( 0.000 0.000 5.381) 5.381 10.303 ( 0.000 0.000 18.659) 18.659 11.037 ( 0.000 0.000 -9.276) 9.276 11.376 ( 0.000 0.000 -19.430) 19.430 11.412 ( 0.000 0.000 2.945) 2.945 11.949 ( 0.000 0.000 -17.992) 17.992 12.221 ( 0.000 0.000 -11.953) 11.953 12.351 ( 0.000 0.000 -11.204) 11.204 12.706 ( 0.000 0.000 9.271) 9.271 13.175 ( 0.000 0.000 -1.271) 1.271 13.841 ( 0.000 0.000 10.136) 10.136 14.013 ( 0.000 0.000 3.524) 3.524 14.237 ( 0.000 0.000 10.880) 10.880 14.279 ( 0.000 0.000 -1.023) 1.023 14.499 ( 0.000 0.000 -1.078) 1.078 14.604 ( 0.000 0.000 12.904) 12.904 14.640 ( 0.000 0.000 7.089) 7.089 15.200 ( 0.000 0.000 11.949) 11.949 15.221 ( 0.000 0.000 -9.664) 9.664 15.448 ( 0.000 0.000 -3.649) 3.649 17.712 ( 0.000 0.000 14.410) 14.410 18.093 ( 0.000 0.000 2.915) 2.915 18.999 ( 0.000 0.000 -9.696) 9.696 19.152 ( 0.000 0.000 -7.060) 7.060 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 11.031 0.000 19.809) 22.673 1.261 ( 13.191 0.000 21.244) 25.006 2.163 ( -5.136 0.000 -9.900) 11.153 2.284 ( 14.652 0.000 31.946) 35.146 2.494 ( -1.112 0.000 4.134) 4.281 2.632 ( 1.791 0.000 -8.844) 9.023 2.700 ( 2.226 0.000 -7.812) 8.123 2.838 ( -2.394 0.000 -2.204) 3.254 2.838 ( 3.353 0.000 -6.519) 7.331 2.942 ( -4.129 0.000 -12.735) 13.388 3.233 ( -6.991 0.000 3.446) 7.794 3.321 ( 2.638 0.000 0.170) 2.644 3.382 ( -2.506 0.000 -1.314) 2.830 3.549 ( -1.066 0.000 -2.545) 2.760 4.116 ( 11.272 0.000 7.523) 13.552 4.193 ( -12.373 0.000 1.748) 12.495 4.318 ( -14.110 0.000 -1.561) 14.197 4.696 ( -7.586 0.000 -8.174) 11.152 4.767 ( 5.186 0.000 -0.902) 5.264 4.920 ( 8.506 0.000 9.786) 12.966 5.094 ( 9.006 0.000 0.047) 9.006 5.172 ( 2.676 0.000 -0.098) 2.677 5.656 ( -1.496 0.000 3.341) 3.660 5.903 ( -3.590 0.000 4.424) 5.698 6.069 ( -9.004 0.000 -16.437) 18.742 6.240 ( -4.197 0.000 -12.171) 12.875 6.358 ( 14.855 0.000 10.419) 18.145 6.614 ( -3.970 0.000 -4.150) 5.743 6.755 ( -5.500 0.000 -15.095) 16.066 7.735 ( -1.959 0.000 -8.750) 8.966 7.817 ( 8.876 0.000 -3.239) 9.449 7.995 ( -5.500 0.000 6.466) 8.489 8.295 ( 18.979 0.000 -16.064) 24.865 8.926 ( 7.724 0.000 -3.752) 8.587 9.562 ( -12.081 0.000 14.921) 19.199 10.107 ( -0.653 0.000 3.676) 3.734 10.256 ( 3.110 0.000 6.135) 6.878 10.340 ( 4.715 0.000 15.791) 16.480 10.988 ( -4.333 0.000 -9.185) 10.156 11.282 ( -3.542 0.000 -8.878) 9.558 11.484 ( 1.406 0.000 -1.942) 2.398 11.894 ( -3.797 0.000 -17.939) 18.336 12.111 ( -9.028 0.000 -6.939) 11.386 12.356 ( -0.215 0.000 -10.506) 10.509 12.805 ( 7.697 0.000 4.509) 8.920 13.194 ( 1.687 0.000 -1.574) 2.307 13.726 ( -14.275 0.000 12.065) 18.691 13.845 ( 0.705 0.000 6.650) 6.687 14.318 ( 3.521 0.000 0.306) 3.534 14.370 ( 4.498 0.000 10.680) 11.588 14.497 ( -0.387 0.000 -1.911) 1.950 14.528 ( -2.931 0.000 12.461) 12.801 14.765 ( 6.341 0.000 -1.614) 6.543 15.088 ( -6.833 0.000 8.836) 11.170 15.162 ( -5.443 0.000 -9.979) 11.367 15.446 ( -2.312 0.000 -2.600) 3.479 17.773 ( 5.785 0.000 14.248) 15.377 18.236 ( 10.073 0.000 0.018) 10.073 18.971 ( -2.711 0.000 -8.818) 9.225 19.117 ( -3.432 0.000 -6.225) 7.108 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 11.875 0.000 7.520) 14.056 1.570 ( 15.371 0.000 15.953) 22.153 1.984 ( -11.272 0.000 -12.967) 17.181 2.338 ( -4.251 0.000 -6.737) 7.966 2.574 ( -8.176 0.000 -8.750) 11.976 2.593 ( -2.081 0.000 3.438) 4.019 2.760 ( -0.454 0.000 -8.364) 8.376 2.829 ( 5.275 0.000 8.150) 9.708 2.905 ( 10.993 0.000 12.194) 16.418 3.025 ( 12.610 0.000 1.610) 12.712 3.078 ( -7.475 0.000 0.521) 7.493 3.449 ( 10.080 0.000 -6.093) 11.778 3.457 ( 7.310 0.000 -0.607) 7.335 3.559 ( 2.837 0.000 -5.254) 5.971 3.956 ( -12.045 0.000 0.164) 12.046 3.989 ( -13.699 0.000 -0.286) 13.702 4.375 ( 11.836 0.000 9.810) 15.372 4.505 ( -9.007 0.000 -15.002) 17.498 4.809 ( 0.137 0.000 3.142) 3.145 5.128 ( 7.390 0.000 5.695) 9.330 5.192 ( -1.450 0.000 -1.626) 2.179 5.270 ( 8.879 0.000 -1.012) 8.936 5.632 ( 0.134 0.000 7.080) 7.081 5.861 ( -1.447 0.000 7.661) 7.796 5.873 ( -9.502 0.000 -14.061) 16.970 6.128 ( -6.172 0.000 -11.351) 12.920 6.471 ( -8.531 0.000 -3.284) 9.141 6.656 ( -4.338 0.000 -2.864) 5.198 6.696 ( 16.613 0.000 7.609) 18.272 7.666 ( -4.704 0.000 -5.606) 7.318 7.844 ( -0.600 0.000 0.411) 0.727 8.139 ( 15.154 0.000 0.104) 15.154 8.719 ( 15.834 0.000 -5.157) 16.653 9.011 ( 0.724 0.000 -8.392) 8.423 9.262 ( -13.634 0.000 5.620) 14.747 10.040 ( -5.905 0.000 4.154) 7.219 10.307 ( 2.343 0.000 7.583) 7.937 10.516 ( 10.022 0.000 9.617) 13.890 10.881 ( -4.383 0.000 -8.829) 9.857 11.238 ( -1.053 0.000 -7.768) 7.839 11.496 ( 1.058 0.000 5.890) 5.984 11.819 ( -3.094 0.000 -16.299) 16.590 11.882 ( -12.341 0.000 -1.756) 12.465 12.310 ( -4.538 0.000 -7.802) 9.026 12.978 ( 8.079 0.000 -0.367) 8.087 13.236 ( 1.916 0.000 -2.209) 2.924 13.587 ( 1.138 0.000 7.218) 7.307 13.884 ( 3.276 0.000 -0.049) 3.277 14.347 ( -6.164 0.000 9.254) 11.119 14.417 ( 5.440 0.000 1.483) 5.638 14.468 ( -2.553 0.000 -4.571) 5.236 14.537 ( 3.589 0.000 4.997) 6.152 14.868 ( 3.687 0.000 -5.239) 6.407 14.977 ( -3.964 0.000 6.155) 7.321 15.010 ( -8.326 0.000 -9.549) 12.669 15.343 ( -6.708 0.000 -2.925) 7.318 17.951 ( 10.958 0.000 13.054) 17.043 18.418 ( 6.860 0.000 0.171) 6.862 18.889 ( -4.897 0.000 -6.538) 8.169 19.003 ( -7.453 0.000 -3.763) 8.349 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 1.001 0.000 -8.472) 8.531 1.746 ( -9.646 0.000 -13.352) 16.472 1.887 ( 14.406 0.000 10.774) 17.989 2.285 ( -1.014 0.000 -4.407) 4.523 2.477 ( -5.984 0.000 1.884) 6.274 2.486 ( 2.764 0.000 3.614) 4.549 2.645 ( -7.793 0.000 -10.924) 13.419 2.869 ( -8.513 0.000 3.196) 9.093 3.042 ( 9.637 0.000 3.367) 10.209 3.173 ( 12.391 0.000 -3.733) 12.941 3.251 ( 7.123 0.000 2.662) 7.604 3.451 ( -5.544 0.000 1.300) 5.695 3.644 ( -11.259 0.000 3.484) 11.785 3.753 ( 12.003 0.000 -10.198) 15.750 3.770 ( -9.257 0.000 -4.091) 10.121 3.904 ( 26.113 0.000 4.792) 26.549 4.255 ( -11.589 0.000 -12.937) 17.368 4.673 ( 13.105 0.000 2.252) 13.298 4.788 ( -4.396 0.000 4.052) 5.979 5.106 ( -6.500 0.000 -1.518) 6.675 5.182 ( 0.428 0.000 -1.846) 1.895 5.426 ( 0.664 0.000 -6.355) 6.390 5.670 ( 3.047 0.000 10.247) 10.690 5.704 ( -2.315 0.000 -3.065) 3.841 5.816 ( -2.918 0.000 9.846) 10.269 5.975 ( -8.151 0.000 -6.508) 10.430 6.357 ( -1.019 0.000 -2.893) 3.067 6.541 ( -6.423 0.000 -1.348) 6.563 7.035 ( 15.143 0.000 4.915) 15.920 7.532 ( -8.139 0.000 -1.834) 8.343 7.949 ( 10.169 0.000 6.266) 11.944 8.431 ( 8.198 0.000 3.447) 8.893 8.686 ( -9.913 0.000 8.213) 12.873 8.990 ( -7.617 0.000 -2.089) 7.898 9.274 ( 15.266 0.000 -14.893) 21.327 9.864 ( -10.591 0.000 2.048) 10.787 10.372 ( 4.043 0.000 4.201) 5.830 10.597 ( -3.901 0.000 1.913) 4.345 10.952 ( 12.417 0.000 -1.343) 12.489 11.247 ( 2.501 0.000 -4.229) 4.913 11.480 ( -4.414 0.000 -0.345) 4.427 11.596 ( -14.752 0.000 0.977) 14.785 11.826 ( 5.117 0.000 -6.173) 8.018 12.173 ( -8.006 0.000 -4.947) 9.411 13.131 ( 6.232 0.000 -2.853) 6.854 13.261 ( 0.135 0.000 -2.685) 2.689 13.717 ( 9.614 0.000 -0.677) 9.638 13.991 ( 6.870 0.000 -6.139) 9.214 14.171 ( -9.960 0.000 1.607) 10.089 14.354 ( -7.589 0.000 -8.487) 11.385 14.555 ( 6.618 0.000 0.281) 6.624 14.636 ( 5.582 0.000 1.072) 5.684 14.839 ( -7.503 0.000 -6.176) 9.718 14.881 ( -4.581 0.000 -2.240) 5.099 14.953 ( 3.748 0.000 0.612) 3.798 15.192 ( -7.116 0.000 -2.920) 7.692 18.221 ( 14.176 0.000 9.874) 17.276 18.540 ( 5.180 0.000 0.573) 5.212 18.773 ( -5.867 0.000 -3.639) 6.904 18.802 ( -11.573 0.000 0.178) 11.574 ======================= Grid point 130 (45/100) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -1.567 0.000 -13.994) 14.081 1.625 ( 1.567 0.000 -13.994) 14.081 2.162 ( -11.100 0.000 6.220) 12.724 2.162 ( 11.100 0.000 6.220) 12.724 2.482 ( -6.314 0.000 -7.741) 9.989 2.482 ( 6.314 0.000 -7.741) 9.989 2.653 ( -10.677 0.000 5.106) 11.835 2.653 ( 10.677 0.000 5.106) 11.835 3.273 ( -10.662 0.000 3.007) 11.078 3.273 ( 10.662 0.000 3.007) 11.078 3.354 ( -3.314 0.000 -4.274) 5.408 3.354 ( 3.314 0.000 -4.274) 5.408 3.546 ( -7.992 0.000 2.150) 8.276 3.546 ( 7.992 0.000 2.150) 8.276 4.007 ( -11.917 0.000 -13.772) 18.212 4.007 ( 11.917 0.000 -13.772) 18.212 4.482 ( -24.046 0.000 4.470) 24.457 4.482 ( 24.046 0.000 4.470) 24.457 4.926 ( -10.512 0.000 0.504) 10.524 4.926 ( 10.512 0.000 0.504) 10.524 5.282 ( -8.809 0.000 -8.797) 12.449 5.282 ( 8.809 0.000 -8.797) 12.449 5.744 ( -3.719 0.000 10.939) 11.554 5.744 ( 3.719 0.000 10.939) 11.554 5.807 ( -7.692 0.000 1.372) 7.813 5.807 ( 7.692 0.000 1.372) 7.813 6.411 ( -5.233 0.000 -3.226) 6.148 6.411 ( 5.233 0.000 -3.226) 6.148 7.321 ( -11.887 0.000 1.767) 12.017 7.321 ( 11.887 0.000 1.767) 12.017 8.236 ( -15.943 0.000 12.774) 20.429 8.236 ( 15.943 0.000 12.774) 20.429 8.790 ( -10.735 0.000 -5.255) 11.952 8.790 ( 10.735 0.000 -5.255) 11.952 9.600 ( -14.398 0.000 -4.139) 14.982 9.600 ( 14.398 0.000 -4.139) 14.982 10.478 ( -5.868 0.000 1.065) 5.964 10.478 ( 5.868 0.000 1.065) 5.964 11.269 ( -16.005 0.000 1.574) 16.083 11.269 ( 16.005 0.000 1.574) 16.083 11.347 ( -6.537 0.000 -2.958) 7.175 11.347 ( 6.537 0.000 -2.958) 7.175 11.990 ( -8.992 0.000 -3.178) 9.537 11.990 ( 8.992 0.000 -3.178) 9.537 13.231 ( -3.101 0.000 -3.112) 4.393 13.231 ( 3.101 0.000 -3.112) 4.393 13.944 ( -11.246 0.000 -2.541) 11.529 13.944 ( 11.246 0.000 -2.541) 11.529 14.166 ( -9.362 0.000 -9.789) 13.545 14.166 ( 9.362 0.000 -9.789) 13.545 14.694 ( -6.570 0.000 -2.193) 6.926 14.694 ( 6.570 0.000 -2.193) 6.926 14.763 ( -6.167 0.000 -0.849) 6.225 14.763 ( 6.167 0.000 -0.849) 6.225 15.055 ( -5.786 0.000 -2.098) 6.154 15.055 ( 5.786 0.000 -2.098) 6.154 18.526 ( -14.299 0.000 5.111) 15.185 18.526 ( 14.299 0.000 5.111) 15.185 18.651 ( -5.570 0.000 -0.941) 5.649 18.651 ( 5.570 0.000 -0.941) 5.649 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.000 11.246 20.081) 23.015 1.258 ( 0.000 12.099 22.142) 25.232 2.096 ( 0.000 -9.200 -2.927) 9.655 2.220 ( 0.000 10.125 35.327) 36.749 2.453 ( 0.000 -7.307 -3.592) 8.142 2.495 ( 0.000 -6.863 -2.891) 7.447 2.700 ( 0.000 0.955 -9.149) 9.198 2.812 ( 0.000 3.173 -11.398) 11.831 2.935 ( 0.000 -5.526 -6.107) 8.236 2.986 ( 0.000 10.997 -7.914) 13.549 3.246 ( 0.000 0.075 1.258) 1.260 3.420 ( 0.000 7.739 -5.685) 9.603 3.617 ( 0.000 11.248 -9.210) 14.538 3.737 ( 0.000 12.032 8.763) 14.884 4.008 ( 0.000 3.544 8.635) 9.334 4.194 ( 0.000 -13.266 -1.723) 13.377 4.267 ( 0.000 -16.334 -2.609) 16.541 4.593 ( 0.000 -2.897 4.308) 5.192 4.719 ( 0.000 -5.794 8.404) 10.208 4.867 ( 0.000 -6.634 0.757) 6.677 4.957 ( 0.000 5.063 -3.313) 6.050 5.276 ( 0.000 5.659 -6.022) 8.264 5.772 ( 0.000 8.822 0.879) 8.866 5.990 ( 0.000 1.417 -8.100) 8.223 6.131 ( 0.000 0.118 16.798) 16.798 6.304 ( 0.000 1.896 -9.031) 9.228 6.327 ( 0.000 9.633 -12.812) 16.029 6.637 ( 0.000 -1.537 -10.539) 10.651 6.846 ( 0.000 1.265 -23.822) 23.856 7.500 ( 0.000 -19.851 -4.270) 20.305 7.752 ( 0.000 2.891 -2.659) 3.928 7.986 ( 0.000 2.524 -8.004) 8.393 8.242 ( 0.000 2.511 7.441) 7.853 8.686 ( 0.000 -7.667 6.362) 9.963 9.659 ( 0.000 -2.816 13.826) 14.109 10.007 ( 0.000 -7.065 3.835) 8.039 10.392 ( 0.000 13.763 -1.196) 13.814 10.434 ( 0.000 9.923 16.143) 18.949 11.026 ( 0.000 0.053 -7.935) 7.936 11.319 ( 0.000 -5.072 -18.237) 18.929 11.508 ( 0.000 8.117 0.564) 8.136 11.945 ( 0.000 -0.139 -16.318) 16.319 12.189 ( 0.000 -3.143 -10.775) 11.225 12.310 ( 0.000 -3.650 -6.672) 7.605 12.827 ( 0.000 11.709 8.083) 14.228 13.329 ( 0.000 12.905 -0.886) 12.935 13.822 ( 0.000 -1.690 10.049) 10.190 13.985 ( 0.000 -2.513 3.502) 4.310 14.185 ( 0.000 -6.085 3.063) 6.813 14.278 ( 0.000 -0.957 -0.645) 1.154 14.463 ( 0.000 1.812 10.323) 10.481 14.626 ( 0.000 -0.839 6.589) 6.643 14.690 ( 0.000 4.078 4.120) 5.797 15.095 ( 0.000 -6.662 3.900) 7.720 15.292 ( 0.000 3.480 -1.083) 3.645 15.448 ( 0.000 -0.118 -3.627) 3.629 17.654 ( 0.000 -5.420 14.090) 15.096 17.863 ( 0.000 -18.181 11.937) 21.750 18.992 ( 0.000 -0.668 -9.691) 9.714 19.122 ( 0.000 -2.875 -7.532) 8.062 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.12 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 11.128 10.190 17.894) 23.406 1.391 ( 11.853 11.580 18.264) 24.661 2.068 ( -3.174 -8.068 -4.233) 9.648 2.311 ( 6.173 3.224 19.932) 21.114 2.378 ( -3.764 -8.525 -4.528) 10.361 2.569 ( 2.847 -6.121 0.302) 6.758 2.723 ( 3.973 2.856 -7.131) 8.648 2.848 ( -3.640 3.261 -9.006) 10.246 2.882 ( 4.161 -3.373 -6.318) 8.283 3.073 ( -0.026 12.497 0.406) 12.503 3.197 ( 2.693 -1.940 -1.467) 3.629 3.372 ( -5.253 10.281 -2.610) 11.837 3.571 ( -3.525 12.970 -1.851) 13.567 3.632 ( -4.255 5.990 0.139) 7.349 4.062 ( -2.507 -7.902 1.275) 8.388 4.161 ( 2.184 -2.906 0.374) 3.655 4.169 ( -6.934 -8.228 3.886) 11.441 4.615 ( -1.446 -3.251 2.879) 4.577 4.783 ( 3.119 -2.070 -2.675) 4.601 4.896 ( 7.030 -3.715 4.750) 9.262 5.042 ( 5.985 -1.509 -1.530) 6.359 5.261 ( -0.769 3.003 -4.577) 5.528 5.753 ( -2.849 8.297 1.202) 8.855 5.913 ( -3.230 1.676 0.042) 3.639 6.046 ( -7.957 -0.355 -2.064) 8.228 6.229 ( -3.921 -0.202 -7.664) 8.611 6.465 ( 5.445 3.611 1.011) 6.611 6.646 ( 4.246 6.500 -6.648) 10.221 6.712 ( -8.849 -4.309 -12.741) 16.100 7.611 ( 4.979 -10.408 -8.233) 14.174 7.844 ( 7.842 2.677 -3.854) 9.139 8.063 ( -3.005 4.492 5.397) 7.637 8.282 ( 15.766 -0.605 -13.096) 20.504 8.800 ( 7.010 -9.867 5.022) 13.104 9.538 ( -10.362 -1.208 11.748) 15.711 10.003 ( -0.989 -7.538 4.755) 8.967 10.385 ( 0.757 10.376 4.832) 11.471 10.516 ( 5.836 12.849 9.029) 16.754 10.992 ( -2.773 1.010 -7.963) 8.492 11.295 ( -1.945 -0.716 -13.638) 13.794 11.499 ( -0.742 3.206 1.545) 3.636 11.884 ( -4.791 -0.501 -16.596) 17.281 12.112 ( -7.229 -0.515 -7.274) 10.268 12.298 ( -1.244 -5.569 -6.978) 9.015 12.910 ( 6.767 10.372 5.115) 13.399 13.344 ( 1.011 12.961 -2.246) 13.193 13.722 ( -9.635 0.021 8.964) 13.160 13.874 ( -0.671 2.226 6.366) 6.778 14.252 ( 3.707 -5.774 0.985) 6.932 14.377 ( 5.041 -4.656 0.038) 6.862 14.456 ( -0.919 2.404 10.218) 10.537 14.558 ( -3.233 1.640 8.950) 9.656 14.765 ( 4.175 -0.396 -2.106) 4.693 15.017 ( -5.721 -5.615 4.387) 9.138 15.200 ( -6.757 2.531 -4.959) 8.755 15.433 ( -3.032 -1.297 -2.666) 4.241 17.721 ( 6.278 -4.809 14.035) 16.110 18.034 ( 12.653 -16.687 7.021) 22.087 18.961 ( -2.848 -0.800 -8.808) 9.291 19.085 ( -3.557 -2.985 -6.638) 8.101 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 8.523 8.505 12.187) 17.132 1.681 ( 14.569 8.657 12.537) 21.081 1.947 ( -7.654 -3.648 -5.417) 10.062 2.292 ( -2.838 -4.277 -4.157) 6.605 2.370 ( -1.616 -6.723 -3.050) 7.558 2.629 ( 2.499 -7.454 -3.709) 8.692 2.733 ( -3.874 -0.550 -2.227) 4.503 2.790 ( -3.374 0.934 -7.305) 8.100 3.012 ( 6.962 -1.009 -2.139) 7.353 3.097 ( 6.873 12.615 14.726) 20.573 3.194 ( -7.744 5.295 1.140) 9.450 3.424 ( 12.745 2.411 -5.790) 14.205 3.565 ( 2.536 8.875 -0.967) 9.281 3.623 ( 5.186 5.359 -1.831) 7.679 3.904 ( -13.471 -5.518 0.681) 14.573 3.950 ( -5.815 -2.090 -4.283) 7.518 4.363 ( 10.889 -0.662 6.103) 12.501 4.540 ( -5.235 4.130 -10.280) 12.253 4.777 ( -0.971 -4.918 -1.905) 5.362 5.097 ( 5.117 -0.924 4.962) 7.188 5.174 ( 7.858 -2.537 1.576) 8.406 5.274 ( 2.699 -0.484 -3.127) 4.159 5.666 ( -4.418 3.290 -0.014) 5.509 5.864 ( -3.653 1.758 0.343) 4.068 5.904 ( -3.385 1.497 4.001) 5.450 6.121 ( -6.472 -0.354 -9.769) 11.724 6.410 ( -8.238 -3.793 -0.955) 9.119 6.556 ( -5.067 -8.404 -2.198) 10.056 6.879 ( 14.091 13.624 2.706) 19.786 7.650 ( 0.101 -1.660 -5.646) 5.886 7.914 ( -2.978 5.996 0.724) 6.734 8.145 ( 14.002 0.617 1.965) 14.152 8.687 ( 14.942 -2.948 -4.422) 15.859 8.886 ( 2.941 -10.469 -4.939) 11.943 9.286 ( -11.712 2.634 4.119) 12.691 9.945 ( -4.899 -7.694 4.650) 10.238 10.431 ( 3.437 10.666 4.685) 12.146 10.647 ( 5.844 10.584 7.813) 14.395 10.940 ( -1.057 5.180 -8.493) 10.004 11.254 ( -1.530 1.329 -8.364) 8.606 11.500 ( 1.258 0.550 5.566) 5.732 11.772 ( -5.524 -2.823 -14.965) 16.200 11.915 ( -10.869 1.464 -3.678) 11.567 12.233 ( -5.171 -7.455 -5.912) 10.829 13.070 ( 7.782 9.071 1.238) 12.015 13.347 ( -0.576 10.380 -2.738) 10.750 13.641 ( 2.631 5.059 4.743) 7.417 13.905 ( 3.033 1.753 0.277) 3.514 14.347 ( 4.465 -6.002 1.054) 7.555 14.377 ( -5.986 1.635 8.866) 10.822 14.410 ( -1.391 -4.826 -2.905) 5.802 14.563 ( 3.066 1.749 3.769) 5.164 14.840 ( 3.028 -2.730 -5.392) 6.760 14.907 ( -4.809 -5.247 0.855) 7.169 15.039 ( -7.917 1.657 -4.479) 9.246 15.320 ( -6.981 -2.267 -3.090) 7.964 17.910 ( 11.441 -3.673 12.945) 17.662 18.279 ( 9.815 -12.221 3.708) 16.107 18.875 ( -5.229 -1.234 -6.464) 8.405 18.970 ( -7.440 -3.060 -4.094) 9.026 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.38 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -0.711 3.467 0.765) 3.621 1.757 ( -6.710 1.621 -5.276) 8.689 2.002 ( 12.381 7.423 6.265) 15.737 2.242 ( -1.149 -3.142 -0.509) 3.384 2.408 ( 5.792 -1.188 -1.653) 6.139 2.547 ( -6.500 1.542 -5.611) 8.724 2.664 ( -6.251 0.663 -5.958) 8.661 2.797 ( 3.089 -11.060 5.247) 12.625 2.966 ( -3.518 2.542 2.610) 5.064 3.183 ( 2.746 -8.070 2.385) 8.852 3.282 ( 6.614 5.476 -0.584) 8.607 3.450 ( -3.161 2.111 -1.879) 4.240 3.602 ( -8.497 -4.625 1.800) 9.840 3.764 ( -0.591 2.583 -7.296) 7.762 3.865 ( 3.250 6.896 -8.564) 11.466 3.976 ( 24.119 8.373 2.756) 25.679 4.355 ( -8.223 8.232 -12.498) 17.076 4.618 ( 9.419 -2.789 -2.431) 10.120 4.799 ( 2.691 -5.927 -2.507) 6.975 5.030 ( -10.588 3.576 1.403) 11.263 5.288 ( 2.830 3.055 2.517) 4.866 5.385 ( 3.399 -3.999 -1.499) 5.458 5.597 ( -0.119 -0.935 0.430) 1.036 5.802 ( -1.759 3.214 5.719) 6.792 5.849 ( -2.838 3.556 7.798) 9.028 5.968 ( -6.910 -0.772 -4.369) 8.212 6.278 ( -2.230 -6.188 -0.529) 6.599 6.443 ( -6.073 -8.696 -1.109) 10.665 7.172 ( 13.182 11.650 3.832) 18.004 7.598 ( -5.874 5.586 -0.670) 8.134 7.948 ( 7.518 -0.087 5.962) 9.596 8.391 ( 2.781 -4.663 8.708) 10.262 8.675 ( -2.336 0.114 2.307) 3.285 9.028 ( -5.989 3.591 -1.826) 7.218 9.215 ( 13.891 -5.081 -13.236) 19.849 9.790 ( -9.850 -6.773 2.025) 12.124 10.518 ( 4.553 13.105 2.874) 14.168 10.693 ( -2.029 8.830 1.829) 9.243 11.029 ( 10.038 6.941 -2.150) 12.392 11.256 ( 2.407 0.638 -4.689) 5.309 11.483 ( -5.602 1.070 -1.283) 5.846 11.626 ( -11.719 1.654 0.526) 11.847 11.767 ( 2.752 -5.468 -6.534) 8.953 12.091 ( -7.905 -7.833 -4.136) 11.872 13.217 ( 5.895 8.393 -1.198) 10.326 13.339 ( -0.409 7.831 -2.344) 8.184 13.774 ( 8.875 5.338 -1.783) 10.509 14.002 ( 6.224 0.801 -5.569) 8.390 14.200 ( -9.649 2.709 1.519) 10.137 14.316 ( -6.001 -3.927 -6.674) 9.796 14.486 ( 6.319 -6.125 -0.563) 8.818 14.641 ( 3.931 -0.739 1.031) 4.131 14.786 ( -6.368 -4.092 -6.011) 9.666 14.874 ( -3.503 -1.046 -5.415) 6.534 14.932 ( 1.779 -1.673 1.637) 2.940 15.166 ( -7.224 -2.586 -3.214) 8.319 18.187 ( 14.384 -2.958 9.758) 17.632 18.454 ( 7.314 -7.690 2.228) 10.844 18.748 ( -6.725 -2.293 -3.250) 7.813 18.770 ( -11.344 -2.871 -0.148) 11.702 ======================= Grid point 139 (50/100) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -1.772 3.174 -5.394) 6.505 1.660 ( 1.772 3.174 -5.394) 6.505 2.204 ( -5.485 2.880 3.071) 6.914 2.204 ( 5.485 2.880 3.071) 6.914 2.468 ( -0.722 -0.514 -6.528) 6.588 2.468 ( 0.722 -0.514 -6.528) 6.588 2.674 ( -8.255 0.876 5.055) 9.719 2.674 ( 8.255 0.876 5.055) 9.719 3.105 ( -9.981 -11.234 3.675) 15.470 3.105 ( 9.981 -11.234 3.675) 15.470 3.364 ( -5.905 -1.661 -0.410) 6.148 3.364 ( 5.905 -1.661 -0.410) 6.148 3.624 ( -8.533 6.798 -4.657) 11.862 3.624 ( 8.533 6.798 -4.657) 11.862 4.063 ( -10.526 5.639 -13.565) 18.072 4.063 ( 10.526 5.639 -13.565) 18.072 4.568 ( -19.917 4.892 -0.647) 20.519 4.568 ( 19.917 4.892 -0.647) 20.519 4.838 ( -1.222 -3.747 -2.969) 4.934 4.838 ( 1.222 -3.747 -2.969) 4.934 5.349 ( -3.553 3.525 0.504) 5.031 5.349 ( 3.553 3.525 0.504) 5.031 5.694 ( -6.843 -1.999 2.463) 7.543 5.694 ( 6.843 -1.999 2.463) 7.543 5.865 ( -3.321 3.144 8.095) 9.297 5.865 ( 3.321 3.144 8.095) 9.297 6.318 ( -4.956 -8.173 -2.131) 9.793 6.318 ( 4.956 -8.173 -2.131) 9.793 7.421 ( -10.385 8.921 2.180) 13.863 7.421 ( 10.385 8.921 2.180) 13.863 8.190 ( -13.898 -4.501 12.320) 19.110 8.190 ( 13.898 -4.501 12.320) 19.110 8.831 ( -10.737 4.163 -5.029) 12.566 8.831 ( 10.737 4.163 -5.029) 12.566 9.535 ( -14.128 -6.057 -3.955) 15.872 9.535 ( 14.128 -6.057 -3.955) 15.872 10.615 ( -4.524 12.643 0.676) 13.445 10.615 ( 4.524 12.643 0.676) 13.445 11.283 ( -11.666 1.868 -0.527) 11.827 11.283 ( 11.666 1.868 -0.527) 11.827 11.380 ( -8.785 2.260 -2.471) 9.401 11.380 ( 8.785 2.260 -2.471) 9.401 11.913 ( -8.624 -7.306 -2.895) 11.668 11.913 ( 8.624 -7.306 -2.895) 11.668 13.309 ( -2.773 7.735 -2.011) 8.459 13.309 ( 2.773 7.735 -2.011) 8.459 13.984 ( -10.519 3.780 -3.033) 11.581 13.984 ( 10.519 3.780 -3.033) 11.581 14.159 ( -8.204 -1.110 -8.552) 11.903 14.159 ( 8.204 -1.110 -8.552) 11.903 14.619 ( -6.059 -6.683 -2.478) 9.355 14.619 ( 6.059 -6.683 -2.478) 9.355 14.769 ( -4.889 0.336 -1.830) 5.231 14.769 ( 4.889 0.336 -1.830) 5.231 15.027 ( -5.812 -2.724 -2.411) 6.856 15.027 ( 5.812 -2.724 -2.411) 6.856 18.493 ( -14.024 -2.890 4.853) 15.119 18.493 ( 14.024 -2.890 4.853) 15.119 18.605 ( -6.714 -4.219 -0.087) 7.930 18.605 ( 6.714 -4.219 -0.087) 7.930 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 10.923 15.350) 18.840 1.506 ( 0.000 15.883 10.767) 19.189 1.931 ( 0.000 -5.510 2.552) 6.072 2.193 ( 0.000 -9.438 -5.511) 10.929 2.260 ( 0.000 -9.965 -3.566) 10.584 2.418 ( 0.000 -14.288 9.736) 17.290 2.721 ( 0.000 12.595 7.493) 14.656 2.919 ( 0.000 5.418 -6.744) 8.650 3.015 ( 0.000 12.096 -3.309) 12.541 3.196 ( 0.000 8.298 -12.931) 15.364 3.334 ( 0.000 7.327 4.207) 8.449 3.532 ( 0.000 0.489 -8.119) 8.134 3.684 ( 0.000 -5.302 -18.963) 19.691 3.904 ( 0.000 -15.486 5.166) 16.325 4.045 ( 0.000 15.486 7.104) 17.038 4.097 ( 0.000 3.987 6.912) 7.980 4.104 ( 0.000 5.953 2.818) 6.586 4.533 ( 0.000 -5.806 8.514) 10.305 4.577 ( 0.000 -5.852 5.107) 7.767 4.683 ( 0.000 -10.805 1.996) 10.988 5.035 ( 0.000 3.681 -6.601) 7.558 5.267 ( 0.000 -4.907 -7.656) 9.093 5.959 ( 0.000 8.146 -4.725) 9.417 6.048 ( 0.000 2.733 -9.874) 10.246 6.166 ( 0.000 3.586 10.642) 11.230 6.389 ( 0.000 7.596 -1.534) 7.749 6.398 ( 0.000 -3.866 2.416) 4.559 6.689 ( 0.000 6.717 -21.212) 22.250 6.861 ( 0.000 -0.207 -22.137) 22.138 7.057 ( 0.000 -22.198 1.632) 22.258 7.834 ( 0.000 4.889 -4.734) 6.806 7.995 ( 0.000 -1.532 -7.898) 8.045 8.316 ( 0.000 4.739 11.010) 11.986 8.548 ( 0.000 -6.073 12.520) 13.915 9.629 ( 0.000 0.623 8.497) 8.520 9.850 ( 0.000 -8.195 3.582) 8.944 10.627 ( 0.000 7.862 9.949) 12.680 10.637 ( 0.000 8.952 -3.251) 9.524 11.065 ( 0.000 3.433 -6.823) 7.638 11.207 ( 0.000 -5.124 -15.713) 16.528 11.696 ( 0.000 10.294 -3.364) 10.829 11.961 ( 0.000 2.102 -10.532) 10.739 12.112 ( 0.000 -4.242 -7.004) 8.188 12.179 ( 0.000 -9.773 -2.466) 10.079 13.153 ( 0.000 19.337 5.324) 20.056 13.614 ( 0.000 13.996 2.112) 14.154 13.767 ( 0.000 -4.887 6.586) 8.201 13.922 ( 0.000 -3.495 3.844) 5.195 14.033 ( 0.000 -6.800 -0.250) 6.805 14.200 ( 0.000 -7.084 0.805) 7.130 14.573 ( 0.000 7.625 13.969) 15.915 14.633 ( 0.000 1.806 4.919) 5.240 14.730 ( 0.000 0.178 -1.321) 1.333 14.942 ( 0.000 -8.325 5.093) 9.759 15.357 ( 0.000 2.906 -1.296) 3.182 15.439 ( 0.000 -0.910 -3.176) 3.304 17.521 ( 0.000 -6.643 13.852) 15.362 17.539 ( 0.000 -11.338 17.216) 20.614 18.981 ( 0.000 -0.139 -9.582) 9.583 19.052 ( 0.000 -3.538 -8.382) 9.098 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.12 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 7.343 7.644 13.521) 17.180 1.652 ( 8.981 12.492 10.519) 18.638 1.924 ( -0.136 -3.044 4.230) 5.213 2.205 ( -0.056 -7.208 -4.308) 8.397 2.276 ( 2.887 -8.441 -4.294) 9.900 2.498 ( 2.104 -10.756 14.254) 17.980 2.639 ( -2.849 1.985 -6.313) 7.205 2.867 ( -3.369 2.957 -3.547) 5.716 3.025 ( -1.090 10.659 -12.143) 16.194 3.274 ( 3.569 6.024 -3.835) 7.983 3.316 ( 2.765 11.116 5.997) 12.930 3.544 ( -2.638 1.662 -7.764) 8.366 3.690 ( 1.907 2.429 -10.621) 11.061 3.836 ( -7.093 2.310 -2.149) 7.763 3.876 ( -5.348 -0.675 8.960) 10.456 4.017 ( -5.978 -0.790 0.673) 6.067 4.189 ( 4.465 1.917 6.986) 8.509 4.561 ( 3.412 -5.114 6.362) 8.847 4.688 ( 1.539 -5.151 -0.018) 5.376 4.790 ( 12.768 -4.028 3.269) 13.782 5.054 ( 2.223 1.772 -5.571) 6.255 5.235 ( -2.098 -4.479 -6.984) 8.558 5.916 ( -6.119 6.245 -4.346) 9.764 5.968 ( -3.140 2.654 -2.969) 5.071 6.095 ( -7.828 5.641 2.655) 10.007 6.249 ( -4.946 2.684 0.126) 5.629 6.421 ( -1.702 -5.435 -2.185) 6.100 6.579 ( -13.818 -8.624 -5.626) 17.233 6.876 ( 13.448 12.910 -9.996) 21.153 7.370 ( 14.595 -12.480 -9.097) 21.249 7.922 ( 7.396 4.864 -4.774) 10.057 8.100 ( 6.089 -1.622 -2.039) 6.623 8.318 ( 5.143 4.796 0.497) 7.050 8.608 ( 3.903 -8.653 11.531) 14.936 9.549 ( -6.805 2.854 7.046) 10.203 9.833 ( -1.875 -9.026 4.256) 10.154 10.601 ( 0.698 9.868 1.990) 10.091 10.732 ( 5.754 6.463 2.862) 9.115 11.051 ( -0.949 4.828 -5.846) 7.641 11.234 ( 2.151 -4.059 -11.929) 12.783 11.629 ( -5.264 8.817 -2.128) 10.487 11.896 ( -5.536 1.931 -11.139) 12.588 12.074 ( -4.926 -3.254 -6.003) 8.420 12.131 ( -3.584 -10.682 -3.383) 11.764 13.209 ( 4.905 18.246 4.634) 19.453 13.635 ( 0.802 13.974 -1.241) 14.052 13.726 ( -2.040 -0.462 5.055) 5.470 13.909 ( 0.227 0.662 5.439) 5.484 14.082 ( 3.354 -9.816 -0.827) 10.406 14.231 ( 2.014 -8.729 0.706) 8.986 14.557 ( -2.181 6.016 12.904) 14.403 14.602 ( -1.943 2.683 5.361) 6.302 14.743 ( 0.992 -1.518 -3.367) 3.824 14.885 ( -4.523 -7.100 3.566) 9.143 15.256 ( -7.566 3.152 -3.260) 8.821 15.392 ( -4.859 -2.711 -2.723) 6.195 17.610 ( 8.015 -5.098 13.862) 16.804 17.711 ( 13.667 -12.742 13.615) 23.120 18.947 ( -3.161 -0.315 -8.693) 9.256 19.014 ( -3.621 -3.526 -7.485) 9.032 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 4.255 3.024 5.414) 7.521 1.776 ( 8.616 0.338 12.317) 15.035 1.934 ( -0.331 7.770 12.599) 14.806 2.207 ( 0.492 -2.932 -0.661) 3.046 2.341 ( 2.167 -1.895 -9.555) 9.980 2.436 ( -0.636 -6.333 4.306) 7.685 2.673 ( -0.622 -8.777 -0.757) 8.832 2.777 ( -4.270 -3.374 -8.955) 10.479 2.981 ( -1.894 5.360 -7.090) 9.088 3.310 ( -0.730 1.988 -3.986) 4.514 3.355 ( -10.549 6.966 -0.376) 12.647 3.462 ( 6.579 6.683 6.044) 11.156 3.733 ( 0.288 5.202 3.982) 6.558 3.743 ( -5.155 -0.988 -7.567) 9.209 3.869 ( 4.116 7.452 -0.466) 8.526 3.932 ( 5.600 2.848 -5.581) 8.403 4.345 ( 9.799 -1.918 -0.830) 10.019 4.605 ( -3.260 -10.324 -5.327) 12.066 4.684 ( 1.423 9.336 -2.189) 9.694 5.052 ( 9.846 -3.580 4.073) 11.241 5.151 ( 7.331 -1.845 -0.143) 7.561 5.215 ( 0.377 -3.487 -4.447) 5.664 5.768 ( -6.652 6.224 -3.611) 9.800 5.915 ( -7.189 3.994 5.750) 10.035 5.926 ( -1.376 -0.206 0.474) 1.470 6.143 ( -6.976 3.338 -3.762) 8.600 6.319 ( -10.614 -8.534 3.916) 14.171 6.358 ( -4.164 -7.488 -1.802) 8.756 7.167 ( 13.579 13.913 -0.530) 19.448 7.582 ( 6.855 -5.590 -5.594) 10.466 8.047 ( -2.868 6.386 3.044) 7.633 8.163 ( 8.627 0.782 6.930) 11.094 8.614 ( 12.134 -3.698 -2.851) 13.002 8.675 ( 7.933 -8.743 -5.865) 13.182 9.379 ( -8.656 6.730 3.231) 11.430 9.762 ( -5.061 -10.128 4.155) 12.060 10.669 ( 5.697 11.390 -0.557) 12.747 10.851 ( 4.818 7.151 4.875) 9.905 11.054 ( 2.161 5.901 -6.387) 8.961 11.277 ( 1.585 0.127 -5.191) 5.429 11.531 ( -2.805 3.508 -0.486) 4.518 11.753 ( -7.808 1.429 -11.344) 13.845 11.905 ( -10.359 -3.086 -3.634) 11.403 12.031 ( -6.121 -11.168 -4.337) 13.453 13.334 ( 6.420 16.403 3.167) 17.897 13.597 ( -2.486 12.051 -2.230) 12.506 13.774 ( 5.179 7.543 0.385) 9.158 13.935 ( 2.070 0.624 1.796) 2.811 14.155 ( 3.083 -11.862 -1.108) 12.306 14.261 ( 1.094 -8.444 0.678) 8.541 14.458 ( -6.585 4.685 6.628) 10.452 14.587 ( 0.047 0.330 2.878) 2.898 14.770 ( 1.359 -3.643 -5.901) 7.066 14.791 ( -3.626 -5.450 0.057) 6.546 15.083 ( -8.362 2.978 -4.116) 9.785 15.254 ( -7.608 -4.168 -3.414) 9.323 17.835 ( 12.842 -2.713 12.667) 18.241 18.012 ( 13.733 -12.152 9.146) 20.492 18.850 ( -6.025 -0.917 -6.205) 8.698 18.899 ( -7.294 -3.378 -4.878) 9.403 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -0.386 4.269 4.917) 6.523 1.858 ( -5.328 9.451 10.584) 15.157 2.028 ( 11.234 -4.670 8.702) 14.958 2.218 ( 0.672 -1.022 2.415) 2.707 2.409 ( 3.195 -0.098 -7.852) 8.478 2.490 ( 3.715 -9.999 2.367) 10.926 2.623 ( -1.107 -2.745 -0.083) 2.960 2.651 ( -7.255 -0.505 -6.788) 9.948 2.991 ( 1.612 -3.772 2.812) 4.973 3.118 ( -9.779 7.015 3.334) 12.488 3.245 ( -3.534 -5.522 -2.565) 7.040 3.481 ( -10.776 -6.315 2.056) 12.658 3.653 ( 7.769 13.226 -4.976) 16.126 3.818 ( 3.045 2.733 -11.100) 11.830 4.000 ( 6.158 5.400 -13.804) 16.051 4.206 ( 15.031 10.792 -2.270) 18.643 4.408 ( -5.214 -5.303 -14.867) 16.623 4.624 ( 8.994 0.746 -2.006) 9.245 4.710 ( 0.404 5.020 -5.325) 7.329 5.113 ( -5.989 -2.995 -5.414) 8.611 5.274 ( 6.742 -1.571 6.345) 9.391 5.327 ( 6.678 1.427 6.950) 9.744 5.651 ( -3.214 4.603 -0.812) 5.672 5.814 ( -3.811 0.008 6.791) 7.788 5.919 ( 0.110 -1.387 3.376) 3.651 5.953 ( -7.729 2.248 0.893) 8.099 6.154 ( -5.198 -6.059 5.736) 9.831 6.249 ( -5.910 -8.390 -0.527) 10.276 7.433 ( 11.346 12.839 3.373) 17.463 7.699 ( 3.233 2.519 1.554) 4.383 7.957 ( -2.092 1.945 6.527) 7.125 8.241 ( -4.626 -9.261 13.937) 17.361 8.727 ( 9.060 5.092 -5.459) 11.739 9.030 ( 15.956 -6.806 -9.616) 19.834 9.196 ( -8.213 6.952 -2.127) 10.969 9.612 ( -9.294 -10.364 1.551) 14.007 10.822 ( 7.824 14.374 -1.637) 16.447 10.921 ( 2.050 13.216 3.731) 13.885 11.165 ( 8.228 3.065 -4.137) 9.707 11.290 ( 0.264 5.084 -3.714) 6.302 11.533 ( -2.211 1.994 1.264) 3.235 11.587 ( -3.052 -5.191 -8.490) 10.409 11.660 ( -12.106 -3.843 -3.011) 13.054 11.883 ( -7.695 -11.731 -3.223) 14.395 13.459 ( 5.026 15.028 1.605) 15.927 13.564 ( -0.927 13.471 -1.537) 13.590 13.906 ( 7.155 6.340 -3.607) 10.218 13.996 ( 3.691 -2.436 -2.413) 5.038 14.171 ( -1.937 -9.171 -0.720) 9.401 14.275 ( -5.777 1.387 -1.793) 6.206 14.339 ( 1.805 -5.547 -3.700) 6.908 14.564 ( -3.619 -6.699 -1.959) 7.862 14.731 ( -0.076 -0.613 -4.471) 4.514 14.829 ( 3.126 -3.485 -5.210) 7.005 14.926 ( -5.861 1.871 -1.234) 6.275 15.093 ( -7.411 -4.466 -3.757) 9.433 18.130 ( 14.738 -1.787 9.315) 17.526 18.276 ( 11.457 -8.694 5.536) 15.410 18.696 ( -8.751 -2.340 -2.312) 9.348 18.706 ( -10.710 -2.892 -1.014) 11.140 ======================= Grid point 148 (55/100) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -2.589 8.226 6.813) 10.990 1.768 ( 2.589 8.226 6.813) 10.990 2.201 ( -4.117 -5.036 4.184) 7.734 2.201 ( 4.117 -5.036 4.184) 7.734 2.461 ( -4.088 -0.188 -5.238) 6.647 2.461 ( 4.088 -0.188 -5.238) 6.647 2.622 ( -1.539 -6.641 3.040) 7.465 2.622 ( 1.539 -6.642 3.040) 7.465 2.993 ( -1.567 2.914 3.250) 4.638 2.993 ( 1.567 2.914 3.250) 4.638 3.281 ( -7.109 -6.095 2.012) 9.578 3.281 ( 7.109 -6.095 2.012) 9.578 3.802 ( -4.813 10.353 -12.901) 17.227 3.802 ( 4.813 10.353 -12.901) 17.227 4.157 ( -8.924 -0.417 -16.853) 19.074 4.157 ( 8.924 -0.417 -16.853) 19.074 4.590 ( -10.428 3.365 -6.416) 12.698 4.590 ( 10.428 3.365 -6.416) 12.698 4.883 ( -12.705 2.182 -3.408) 13.333 4.883 ( 12.705 2.182 -3.408) 13.333 5.385 ( -1.833 2.878 9.170) 9.784 5.385 ( 1.833 2.878 9.170) 9.784 5.681 ( -5.983 -1.774 0.460) 6.257 5.681 ( 5.983 -1.774 0.460) 6.257 5.911 ( -1.937 2.202 9.528) 9.969 5.911 ( 1.937 2.202 9.528) 9.969 6.135 ( -3.732 -8.598 0.275) 9.377 6.135 ( 3.732 -8.598 0.275) 9.377 7.637 ( -7.714 11.533 4.326) 14.533 7.637 ( 7.714 11.533 4.326) 14.533 8.059 ( -9.673 -8.297 10.617) 16.587 8.059 ( 9.673 -8.297 10.617) 16.587 8.960 ( -11.308 8.486 -4.534) 14.847 8.960 ( 11.308 8.486 -4.534) 14.847 9.371 ( -13.482 -9.801 -3.832) 17.103 9.371 ( 13.482 -9.801 -3.832) 17.103 10.933 ( -1.723 17.375 -0.249) 17.462 10.933 ( 1.723 17.375 -0.249) 17.462 11.348 ( -3.798 3.628 -1.986) 5.616 11.348 ( 3.798 3.628 -1.986) 5.616 11.399 ( -8.143 -0.535 -3.853) 9.024 11.399 ( 8.143 -0.535 -3.853) 9.024 11.715 ( -7.996 -11.597 -2.043) 14.234 11.715 ( 7.996 -11.597 -2.043) 14.234 13.536 ( -2.263 14.206 0.064) 14.385 13.536 ( 2.263 14.206 0.064) 14.385 14.052 ( -3.474 -2.806 -1.153) 4.612 14.052 ( 3.474 -2.806 -1.153) 4.612 14.126 ( -2.975 2.405 -7.562) 8.474 14.126 ( 2.975 2.405 -7.562) 8.474 14.447 ( -6.220 -9.649 -5.246) 12.622 14.447 ( 6.220 -9.649 -5.246) 12.622 14.789 ( -4.546 2.035 -2.988) 5.808 14.789 ( 4.546 2.035 -2.988) 5.808 14.951 ( -5.801 -4.567 -3.096) 8.006 14.951 ( 5.801 -4.567 -3.096) 8.006 18.435 ( -13.254 -2.112 4.238) 14.075 18.435 ( 13.254 -2.112 4.238) 14.075 18.504 ( -9.314 -5.021 1.684) 10.714 18.504 ( 9.314 -5.021 1.684) 10.714 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 0.000 -4.184 4.848) 6.404 1.673 ( 0.000 4.184 4.848) 6.404 1.983 ( 0.000 -11.871 4.553) 12.715 1.983 ( 0.000 11.871 4.553) 12.715 2.160 ( 0.000 -3.723 1.595) 4.050 2.160 ( 0.000 3.723 1.595) 4.050 2.935 ( 0.000 -5.346 -1.132) 5.464 2.935 ( 0.000 5.346 -1.132) 5.464 3.268 ( 0.000 -7.053 -5.975) 9.244 3.268 ( 0.000 7.053 -5.975) 9.244 3.430 ( 0.000 -2.199 -12.283) 12.478 3.430 ( 0.000 2.199 -12.283) 12.478 3.665 ( 0.000 -8.254 3.572) 8.993 3.665 ( 0.000 8.254 3.572) 8.993 4.183 ( 0.000 -0.568 4.367) 4.404 4.183 ( 0.000 0.568 4.367) 4.404 4.347 ( 0.000 -11.191 9.157) 14.460 4.347 ( 0.000 11.191 9.157) 14.460 4.518 ( 0.000 -1.703 1.005) 1.977 4.518 ( 0.000 1.703 1.005) 1.977 5.139 ( 0.000 -6.572 -6.753) 9.423 5.139 ( 0.000 6.572 -6.753) 9.423 6.063 ( 0.000 -1.843 -10.251) 10.415 6.063 ( 0.000 1.843 -10.251) 10.415 6.272 ( 0.000 -6.717 6.200) 9.141 6.272 ( 0.000 6.717 6.200) 9.141 6.637 ( 0.000 -16.347 5.044) 17.108 6.637 ( 0.000 16.347 5.044) 17.108 6.823 ( 0.000 -3.462 -22.260) 22.528 6.823 ( 0.000 3.462 -22.260) 22.528 7.932 ( 0.000 -4.369 -7.020) 8.269 7.932 ( 0.000 4.369 -7.020) 8.269 8.427 ( 0.000 -5.963 13.735) 14.974 8.427 ( 0.000 5.963 13.735) 14.974 9.699 ( 0.000 -6.054 4.794) 7.722 9.699 ( 0.000 6.054 4.794) 7.722 10.720 ( 0.000 -0.778 1.927) 2.078 10.720 ( 0.000 0.778 1.927) 2.078 11.130 ( 0.000 -2.838 -11.304) 11.655 11.130 ( 0.000 2.838 -11.304) 11.655 11.932 ( 0.000 -12.846 -2.831) 13.155 11.932 ( 0.000 12.846 -2.831) 13.155 12.030 ( 0.000 -4.286 -5.710) 7.139 12.030 ( 0.000 4.286 -5.710) 7.139 13.541 ( 0.000 -17.139 3.000) 17.400 13.541 ( 0.000 17.139 3.000) 17.400 13.835 ( 0.000 -6.390 3.810) 7.440 13.835 ( 0.000 6.390 3.810) 7.440 14.030 ( 0.000 -7.171 2.163) 7.490 14.030 ( 0.000 7.171 2.163) 7.490 14.676 ( 0.000 -0.988 8.013) 8.074 14.676 ( 0.000 0.988 8.013) 8.074 14.772 ( 0.000 -7.496 2.433) 7.881 14.772 ( 0.000 7.496 2.433) 7.881 15.408 ( 0.000 -2.102 -2.142) 3.001 15.408 ( 0.000 2.102 -2.142) 3.001 17.435 ( 0.000 -0.584 15.246) 15.257 17.435 ( 0.000 0.584 15.246) 15.257 18.996 ( 0.000 -1.782 -9.162) 9.334 18.996 ( 0.000 1.782 -9.162) 9.334 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 2.080 -5.624 6.245) 8.657 1.691 ( 2.080 5.624 6.245) 8.657 2.086 ( 7.309 -10.810 1.217) 13.106 2.086 ( 7.309 10.810 1.217) 13.106 2.190 ( 2.636 -8.595 6.166) 10.901 2.190 ( 2.636 8.595 6.166) 10.901 2.808 ( -8.915 -8.006 -4.591) 12.831 2.808 ( -8.915 8.006 -4.591) 12.831 3.253 ( -2.239 -9.410 -11.129) 14.745 3.253 ( -2.239 9.410 -11.129) 14.745 3.485 ( 3.067 -4.419 -1.914) 5.710 3.485 ( 3.067 4.419 -1.914) 5.710 3.743 ( 7.989 -5.381 -1.343) 9.726 3.743 ( 7.989 5.381 -1.343) 9.726 3.995 ( -13.188 -3.371 6.131) 14.929 3.995 ( -13.188 3.371 6.131) 14.929 4.341 ( 1.362 -12.795 3.805) 13.418 4.341 ( 1.362 12.795 3.805) 13.418 4.707 ( 11.528 -4.677 2.443) 12.679 4.707 ( 11.528 4.677 2.443) 12.679 5.126 ( -0.661 -5.330 -6.453) 8.396 5.126 ( -0.661 5.330 -6.453) 8.396 5.987 ( -5.918 -1.094 -6.405) 8.789 5.987 ( -5.918 1.094 -6.405) 8.789 6.245 ( -3.571 -7.340 3.765) 8.989 6.245 ( -3.571 7.340 3.765) 8.989 6.397 ( -10.986 -7.541 -2.241) 13.512 6.397 ( -10.986 7.541 -2.241) 13.512 7.125 ( 16.240 -11.877 -10.108) 22.517 7.125 ( 16.240 11.877 -10.108) 22.517 8.026 ( 7.805 -4.938 -5.275) 10.636 8.026 ( 7.805 4.938 -5.275) 10.636 8.447 ( 2.276 -7.339 9.664) 12.346 8.447 ( 2.276 7.339 9.664) 12.346 9.658 ( -3.659 -7.634 4.633) 9.651 9.658 ( -3.659 7.634 4.633) 9.651 10.749 ( 2.930 -4.090 0.105) 5.032 10.749 ( 2.930 4.090 0.105) 5.032 11.152 ( 1.880 -4.438 -7.833) 9.197 11.152 ( 1.880 4.438 -7.833) 9.197 11.844 ( -6.822 -11.290 -2.701) 13.465 11.844 ( -6.822 11.290 -2.701) 13.465 12.001 ( -3.554 -2.919 -6.488) 7.953 12.001 ( -3.554 2.919 -6.488) 7.953 13.575 ( 3.048 -15.269 2.747) 15.811 13.575 ( 3.048 15.269 2.747) 15.811 13.854 ( 1.561 -5.956 2.484) 6.639 13.854 ( 1.561 5.956 2.484) 6.639 14.044 ( 1.227 -7.769 1.371) 7.984 14.044 ( 1.227 7.769 1.371) 7.984 14.642 ( -3.085 -0.606 8.869) 9.409 14.642 ( -3.085 0.606 8.869) 9.409 14.752 ( -1.571 -4.638 -0.776) 4.958 14.752 ( -1.571 4.638 -0.776) 4.958 15.326 ( -6.847 -3.627 -2.783) 8.233 15.326 ( -6.847 3.627 -2.783) 8.233 17.564 ( 11.050 -1.788 14.262) 18.130 17.564 ( 11.050 1.788 14.262) 18.130 18.959 ( -3.471 -1.656 -8.270) 9.121 18.959 ( -3.471 1.656 -8.270) 9.121 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 4.621 -0.552 7.494) 8.821 1.763 ( 4.621 0.552 7.494) 8.821 2.172 ( -0.403 -6.898 7.566) 10.246 2.172 ( -0.403 6.898 7.566) 10.246 2.270 ( 4.515 -8.162 4.928) 10.549 2.270 ( 4.515 8.162 4.928) 10.549 2.662 ( -3.616 -6.621 -8.702) 11.517 2.662 ( -3.616 6.621 -8.702) 11.517 3.163 ( -5.976 -10.332 -9.511) 15.262 3.163 ( -5.976 10.332 -9.511) 15.262 3.511 ( -3.642 -5.201 -1.800) 6.599 3.511 ( -3.642 5.201 -1.800) 6.599 3.752 ( -3.340 -2.734 3.795) 5.748 3.752 ( -3.340 2.734 3.795) 5.748 3.991 ( 11.497 -5.120 -4.340) 13.313 3.991 ( 11.497 5.120 -4.340) 13.313 4.384 ( 2.857 -9.235 -3.161) 10.170 4.384 ( 2.857 9.235 -3.161) 10.170 4.904 ( 5.690 -10.917 -0.465) 12.320 4.904 ( 5.690 10.917 -0.465) 12.320 5.152 ( 4.362 -3.218 -1.594) 5.650 5.152 ( 4.362 3.218 -1.594) 5.650 5.876 ( -3.701 -4.163 -2.390) 6.061 5.876 ( -3.701 4.163 -2.390) 6.061 6.077 ( -10.862 -11.229 1.124) 15.664 6.077 ( -10.862 11.229 1.124) 15.664 6.251 ( -4.948 -5.312 3.360) 7.999 6.251 ( -4.948 5.312 3.360) 7.999 7.417 ( 11.817 -10.529 -3.299) 16.167 7.417 ( 11.817 10.529 -3.299) 16.167 8.147 ( 0.780 -2.976 7.857) 8.438 8.147 ( 0.780 2.976 7.857) 8.438 8.575 ( 11.075 -0.911 -6.039) 12.647 8.575 ( 11.075 0.911 -6.039) 12.647 9.553 ( -6.281 -10.020 3.455) 12.321 9.553 ( -6.281 10.020 3.455) 12.321 10.852 ( 6.863 -5.952 -2.256) 9.360 10.852 ( 6.863 5.952 -2.256) 9.360 11.203 ( 2.978 -7.303 -1.711) 8.070 11.203 ( 2.978 7.303 -1.711) 8.070 11.689 ( -7.459 -10.587 -3.904) 13.526 11.689 ( -7.459 10.587 -3.904) 13.526 11.874 ( -8.263 -4.473 -6.130) 11.219 11.874 ( -8.263 4.473 -6.130) 11.219 13.658 ( 4.530 -11.098 1.912) 12.138 13.658 ( 4.530 11.098 1.912) 12.138 13.886 ( 1.104 -3.970 0.304) 4.132 13.886 ( 1.104 3.970 0.304) 4.132 14.078 ( 2.085 -7.800 -0.813) 8.115 14.078 ( 2.085 7.800 -0.813) 8.115 14.553 ( -5.349 -3.944 4.904) 8.259 14.553 ( -5.349 3.944 4.904) 8.259 14.727 ( -0.284 -0.419 -3.862) 3.895 14.727 ( -0.284 0.419 -3.862) 3.895 15.162 ( -8.156 -4.598 -3.781) 10.098 15.162 ( -8.156 4.598 -3.781) 10.098 17.842 ( 14.329 -4.194 11.866) 19.071 17.842 ( 14.329 4.194 11.866) 19.071 18.851 ( -6.825 -1.207 -5.676) 8.958 18.851 ( -6.825 1.207 -5.676) 8.958 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 5.792 -8.084 8.482) 13.071 1.877 ( 5.792 8.084 8.482) 13.071 2.101 ( -4.968 -11.464 12.236) 17.488 2.101 ( -4.968 11.464 12.236) 17.488 2.366 ( 5.083 -1.403 -0.870) 5.345 2.366 ( 5.083 1.403 -0.870) 5.345 2.622 ( -2.864 -2.086 -6.069) 7.027 2.622 ( -2.864 2.086 -6.069) 7.027 3.056 ( -1.801 -7.777 -2.135) 8.263 3.056 ( -1.801 7.777 -2.135) 8.263 3.329 ( -10.206 -8.568 2.438) 13.547 3.329 ( -10.206 8.568 2.438) 13.547 3.841 ( 8.016 -2.685 -10.269) 13.302 3.841 ( 8.016 2.685 -10.269) 13.302 4.129 ( -0.602 -9.657 -15.026) 17.872 4.129 ( -0.602 9.657 -15.026) 17.872 4.523 ( 11.246 -10.071 -2.892) 15.371 4.523 ( 11.246 10.071 -2.892) 15.371 4.922 ( -3.348 -12.264 -5.618) 13.898 4.922 ( -3.348 12.264 -5.618) 13.898 5.316 ( 10.027 -4.254 5.771) 12.327 5.316 ( 10.027 4.254 5.771) 12.327 5.777 ( -9.613 -7.336 1.973) 12.252 5.777 ( -9.613 7.336 1.973) 12.252 5.913 ( -0.309 -5.193 4.173) 6.669 5.913 ( -0.309 5.193 4.173) 6.669 6.132 ( -6.439 -4.111 4.571) 8.903 6.132 ( -6.439 4.111 4.571) 8.903 7.647 ( 10.451 -7.428 2.598) 13.082 7.647 ( 10.451 7.428 2.598) 13.082 8.059 ( -7.726 -7.817 11.249) 15.727 8.059 ( -7.726 7.817 11.249) 15.727 8.866 ( 14.796 -8.173 -8.822) 19.067 8.866 ( 14.796 8.173 -8.822) 19.067 9.390 ( -9.308 -11.042 0.489) 14.450 9.390 ( -9.308 11.042 0.489) 14.450 11.033 ( 10.107 -6.058 -2.808) 12.113 11.033 ( 10.107 6.058 -2.808) 12.113 11.283 ( 4.267 -11.433 1.057) 12.249 11.283 ( 4.267 11.433 1.057) 12.249 11.530 ( -7.543 -7.795 -5.108) 11.990 11.530 ( -7.543 7.795 -5.108) 11.990 11.677 ( -9.743 -7.727 -3.868) 13.023 11.677 ( -9.743 7.727 -3.868) 13.023 13.755 ( 4.556 -6.746 0.951) 8.196 13.755 ( 4.556 6.746 0.951) 8.196 13.890 ( -0.936 -2.060 0.570) 2.333 13.890 ( -0.936 2.060 0.570) 2.333 14.142 ( 4.252 -7.437 -5.044) 9.941 14.142 ( 4.252 7.437 -5.044) 9.941 14.417 ( -7.371 -6.959 -3.530) 10.734 14.417 ( -7.371 6.959 -3.530) 10.734 14.757 ( 3.229 -2.952 -3.717) 5.741 14.757 ( 3.229 2.952 -3.717) 5.741 14.997 ( -7.346 -4.606 -3.763) 9.452 14.997 ( -7.346 4.606 -3.763) 9.452 18.145 ( 14.172 -3.692 8.094) 16.733 18.145 ( 14.172 3.692 8.094) 16.733 18.672 ( -10.097 -0.252 -1.655) 10.235 18.672 ( -10.097 0.252 -1.655) 10.235 ======================= Grid point 161 (60/100) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -4.965 -13.012 10.303) 17.324 1.993 ( 4.646 -12.982 10.303) 17.213 1.993 ( -4.646 12.982 10.303) 17.213 1.993 ( 4.965 13.012 10.303) 17.324 2.500 ( -5.950 -3.724 -3.222) 7.723 2.500 ( -3.150 -2.739 -3.222) 5.273 2.500 ( 3.150 2.739 -3.222) 5.273 2.500 ( 5.950 3.724 -3.222) 7.723 3.132 ( -7.464 -8.201 2.637) 11.398 3.132 ( 5.803 -7.858 2.637) 10.118 3.132 ( -5.803 7.858 2.637) 10.118 3.132 ( 7.464 8.201 2.637) 11.398 4.019 ( -4.733 -9.916 -17.495) 20.659 4.019 ( -0.596 -9.634 -17.495) 19.981 4.019 ( 0.596 9.634 -17.495) 19.981 4.019 ( 4.733 9.916 -17.495) 20.659 4.774 ( -9.746 -10.739 -5.026) 15.349 4.774 ( 5.874 -10.011 -5.026) 12.648 4.774 ( -5.874 10.011 -5.026) 12.648 4.774 ( 9.746 10.739 -5.026) 15.349 5.543 ( -8.870 -9.783 6.837) 14.870 5.543 ( -0.091 -8.720 6.837) 11.081 5.543 ( 0.091 8.720 6.837) 11.081 5.543 ( 8.870 9.783 6.837) 14.870 5.993 ( -5.346 -5.481 4.423) 8.842 5.993 ( 1.462 -4.840 4.423) 6.718 5.993 ( -1.462 4.840 4.423) 6.718 5.993 ( 5.346 5.481 4.423) 8.842 7.865 ( -8.553 -10.342 7.665) 15.455 7.865 ( 2.731 -9.515 7.665) 12.520 7.865 ( -2.731 9.515 7.665) 12.520 7.865 ( 8.553 10.342 7.665) 15.455 9.159 ( -12.564 -10.671 -4.081) 16.981 9.159 ( 11.565 -10.385 -4.081) 16.070 9.159 ( -11.565 10.385 -4.081) 16.070 9.159 ( 12.564 10.671 -4.081) 16.981 11.251 ( -8.502 -12.034 -2.128) 14.887 11.251 ( 6.406 -11.705 -2.128) 13.512 11.251 ( -6.406 11.705 -2.128) 13.512 11.251 ( 8.502 12.034 -2.128) 14.887 11.495 ( -6.163 -8.640 -2.553) 10.915 11.495 ( 5.575 -8.539 -2.553) 10.513 11.495 ( -5.575 8.539 -2.553) 10.513 11.495 ( 6.163 8.640 -2.553) 10.915 13.842 ( -1.305 -14.532 0.952) 14.622 13.842 ( 0.555 -14.520 0.952) 14.562 13.842 ( -0.555 14.520 0.952) 14.562 13.842 ( 1.305 14.532 0.952) 14.622 14.261 ( -6.729 -8.321 -7.400) 13.010 14.261 ( 5.837 -8.151 -7.400) 12.461 14.261 ( -5.837 8.151 -7.400) 12.461 14.261 ( 6.729 8.321 -7.400) 13.010 14.856 ( -5.738 -4.364 -3.510) 8.018 14.856 ( 3.172 -3.650 -3.510) 5.975 14.856 ( -3.172 3.650 -3.510) 5.975 14.856 ( 5.738 4.364 -3.510) 8.018 18.430 ( -12.678 -1.770 3.242) 13.205 18.430 ( -12.581 1.589 3.242) 13.089 18.430 ( 12.581 -1.589 3.242) 13.089 18.430 ( 12.678 1.770 3.242) 13.205 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 0.000 0.000 17.307) 17.307 1.532 ( 0.000 0.000 20.096) 20.096 2.004 ( 0.000 0.000 -11.660) 11.660 2.342 ( 0.000 0.000 -11.114) 11.114 2.459 ( 0.000 0.000 -4.954) 4.954 2.466 ( 0.000 0.000 -12.676) 12.676 2.592 ( 0.000 0.000 -7.759) 7.759 2.780 ( 0.000 0.000 -4.273) 4.273 2.797 ( 0.000 0.000 9.571) 9.571 3.094 ( 0.000 0.000 28.542) 28.542 3.250 ( 0.000 0.000 -2.568) 2.568 3.313 ( 0.000 0.000 -1.775) 1.775 3.543 ( 0.000 0.000 10.442) 10.442 3.713 ( 0.000 0.000 9.084) 9.084 4.087 ( 0.000 0.000 4.089) 4.089 4.320 ( 0.000 0.000 -2.143) 2.143 4.401 ( 0.000 0.000 -4.490) 4.490 4.671 ( 0.000 0.000 -1.253) 1.253 4.714 ( 0.000 0.000 0.061) 0.061 4.885 ( 0.000 0.000 -6.499) 6.499 5.083 ( 0.000 0.000 11.607) 11.607 5.110 ( 0.000 0.000 -3.137) 3.137 5.714 ( 0.000 0.000 1.713) 1.713 5.833 ( 0.000 0.000 -15.587) 15.587 5.865 ( 0.000 0.000 -31.449) 31.449 5.879 ( 0.000 0.000 -6.057) 6.057 6.469 ( 0.000 0.000 -10.247) 10.247 6.517 ( 0.000 0.000 -7.252) 7.252 6.531 ( 0.000 0.000 20.081) 20.081 7.526 ( 0.000 0.000 -13.269) 13.269 7.702 ( 0.000 0.000 -0.246) 0.246 7.812 ( 0.000 0.000 -4.259) 4.259 8.345 ( 0.000 0.000 7.118) 7.118 8.735 ( 0.000 0.000 -4.533) 4.533 10.007 ( 0.000 0.000 13.394) 13.394 10.152 ( 0.000 0.000 2.110) 2.110 10.325 ( 0.000 0.000 6.498) 6.498 10.672 ( 0.000 0.000 13.730) 13.730 10.883 ( 0.000 0.000 -1.414) 1.414 11.055 ( 0.000 0.000 -11.699) 11.699 11.381 ( 0.000 0.000 -8.922) 8.922 11.730 ( 0.000 0.000 -1.475) 1.475 11.944 ( 0.000 0.000 -16.347) 16.347 12.151 ( 0.000 0.000 -9.565) 9.565 12.882 ( 0.000 0.000 8.252) 8.252 13.145 ( 0.000 0.000 -1.892) 1.892 14.080 ( 0.000 0.000 14.132) 14.132 14.115 ( 0.000 0.000 6.975) 6.975 14.276 ( 0.000 0.000 0.967) 0.967 14.385 ( 0.000 0.000 4.770) 4.770 14.463 ( 0.000 0.000 -2.653) 2.653 14.724 ( 0.000 0.000 2.059) 2.059 14.768 ( 0.000 0.000 2.047) 2.047 14.993 ( 0.000 0.000 -13.560) 13.560 15.428 ( 0.000 0.000 10.179) 10.179 15.446 ( 0.000 0.000 4.043) 4.043 18.031 ( 0.000 0.000 17.764) 17.764 18.174 ( 0.000 0.000 5.621) 5.621 18.780 ( 0.000 0.000 -12.467) 12.467 18.973 ( 0.000 0.000 -11.376) 11.376 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 2.574 0.000 12.644) 12.903 1.648 ( 9.581 0.000 18.165) 20.537 1.928 ( -7.022 0.000 -12.059) 13.955 2.303 ( -3.659 0.000 -8.765) 9.498 2.470 ( 0.566 0.000 -4.304) 4.342 2.555 ( 7.821 0.000 -10.145) 12.809 2.588 ( -0.696 0.000 -10.944) 10.966 2.786 ( -0.593 0.000 9.791) 9.809 2.820 ( 3.588 0.000 -2.839) 4.575 3.187 ( 8.313 0.000 17.969) 19.799 3.222 ( -2.299 0.000 -1.131) 2.562 3.367 ( 4.117 0.000 -1.201) 4.289 3.442 ( -6.403 0.000 16.656) 17.844 3.573 ( -8.901 0.000 7.900) 11.901 4.186 ( 5.711 0.000 -2.747) 6.338 4.215 ( -8.657 0.000 1.115) 8.729 4.266 ( -11.963 0.000 -3.638) 12.504 4.634 ( -5.667 0.000 3.880) 6.868 4.749 ( 4.245 0.000 -0.487) 4.273 4.949 ( 7.750 0.000 -7.877) 11.050 5.135 ( 1.328 0.000 -4.047) 4.260 5.159 ( 5.167 0.000 8.220) 9.709 5.718 ( 0.911 0.000 3.071) 3.203 5.738 ( -4.633 0.000 -17.204) 17.817 5.899 ( -0.823 0.000 -22.819) 22.834 5.911 ( 2.504 0.000 -2.270) 3.380 6.469 ( -0.463 0.000 -9.730) 9.741 6.513 ( 0.248 0.000 -6.148) 6.153 6.639 ( 9.450 0.000 16.733) 19.217 7.532 ( 0.364 0.000 -11.949) 11.954 7.771 ( 5.374 0.000 -0.885) 5.446 8.009 ( 17.424 0.000 -8.668) 19.461 8.231 ( -5.930 0.000 10.940) 12.444 8.832 ( 5.622 0.000 -6.424) 8.537 9.860 ( -12.800 0.000 14.287) 19.182 10.159 ( -0.798 0.000 1.573) 1.764 10.357 ( 2.625 0.000 5.268) 5.886 10.684 ( 1.608 0.000 11.685) 11.795 10.841 ( -3.771 0.000 0.466) 3.800 11.066 ( 0.982 0.000 -9.202) 9.254 11.409 ( 2.842 0.000 -11.824) 12.161 11.687 ( -3.620 0.000 0.990) 3.753 11.898 ( -4.175 0.000 -14.360) 14.955 12.162 ( 0.653 0.000 -9.592) 9.614 12.919 ( 3.085 0.000 6.403) 7.107 13.159 ( 1.243 0.000 -2.048) 2.396 13.938 ( -11.596 0.000 10.605) 15.714 14.000 ( -5.284 0.000 8.873) 10.327 14.354 ( 5.346 0.000 3.681) 6.491 14.439 ( -2.467 0.000 -4.019) 4.716 14.451 ( 1.640 0.000 -0.506) 1.716 14.698 ( -3.372 0.000 4.228) 5.408 14.756 ( 0.231 0.000 -1.127) 1.150 14.938 ( -4.711 0.000 -12.554) 13.409 15.279 ( -8.017 0.000 10.177) 12.956 15.458 ( -3.184 0.000 3.324) 4.603 18.083 ( 4.839 0.000 17.013) 17.688 18.272 ( 7.744 0.000 3.676) 8.573 18.773 ( -0.696 0.000 -11.037) 11.059 18.957 ( -1.608 0.000 -10.233) 10.359 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -3.181 0.000 -0.468) 3.215 1.725 ( -11.540 0.000 -12.445) 16.972 1.874 ( 11.046 0.000 13.940) 17.785 2.202 ( -4.958 0.000 -5.477) 7.388 2.489 ( 2.308 0.000 2.137) 3.146 2.549 ( -3.154 0.000 -10.147) 10.626 2.728 ( 1.735 0.000 6.472) 6.701 2.803 ( 7.625 0.000 -5.493) 9.398 2.924 ( 6.227 0.000 -0.041) 6.227 3.124 ( -6.951 0.000 3.919) 7.980 3.257 ( -2.485 0.000 -5.279) 5.834 3.439 ( 0.415 0.000 -6.092) 6.107 3.492 ( 3.417 0.000 4.311) 5.501 3.556 ( 18.577 0.000 26.824) 32.629 3.970 ( -14.339 0.000 -0.392) 14.345 4.009 ( -10.282 0.000 3.220) 10.774 4.191 ( -6.792 0.000 -15.469) 16.894 4.605 ( 4.843 0.000 11.836) 12.789 4.788 ( 0.572 0.000 -4.550) 4.585 5.134 ( -1.657 0.000 -4.514) 4.808 5.162 ( 8.556 0.000 -8.867) 12.322 5.231 ( 0.461 0.000 4.489) 4.512 5.666 ( -1.454 0.000 -7.082) 7.230 5.766 ( 3.548 0.000 6.480) 7.388 5.849 ( -2.254 0.000 -16.851) 17.001 5.960 ( 1.670 0.000 2.274) 2.822 6.401 ( -4.523 0.000 -3.146) 5.509 6.551 ( 0.878 0.000 -6.587) 6.646 6.884 ( 12.807 0.000 11.274) 17.062 7.529 ( -0.975 0.000 -8.410) 8.466 7.884 ( 6.314 0.000 3.924) 7.434 8.239 ( 6.986 0.000 9.028) 11.415 8.468 ( 24.349 0.000 -14.498) 28.339 8.891 ( -0.575 0.000 -7.032) 7.055 9.505 ( -20.054 0.000 15.565) 25.386 10.076 ( -7.612 0.000 -0.874) 7.662 10.409 ( 1.828 0.000 3.814) 4.230 10.714 ( -4.131 0.000 -7.816) 8.840 10.799 ( 6.176 0.000 17.819) 18.859 11.103 ( 2.736 0.000 -5.046) 5.741 11.486 ( 2.307 0.000 -16.654) 16.813 11.623 ( -0.059 0.000 7.461) 7.461 11.774 ( -7.593 0.000 -9.546) 12.197 12.156 ( -1.768 0.000 -8.192) 8.380 12.990 ( 3.325 0.000 1.839) 3.800 13.187 ( 1.047 0.000 -2.817) 3.006 13.745 ( -5.413 0.000 9.041) 10.537 13.913 ( -2.345 0.000 3.109) 3.894 14.340 ( -6.980 0.000 -8.300) 10.845 14.365 ( -9.604 0.000 -6.466) 11.578 14.469 ( 5.303 0.000 3.715) 6.475 14.634 ( -1.265 0.000 4.753) 4.919 14.773 ( 0.806 0.000 -3.718) 3.805 14.829 ( -4.916 0.000 -8.571) 9.881 15.141 ( -5.021 0.000 8.980) 10.289 15.338 ( -7.253 0.000 1.562) 7.419 18.224 ( 8.256 0.000 14.419) 16.615 18.433 ( 6.653 0.000 1.587) 6.839 18.746 ( -1.977 0.000 -7.819) 8.065 18.900 ( -4.010 0.000 -7.009) 8.075 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -8.054 0.000 -11.631) 14.147 1.484 ( -10.472 0.000 -13.099) 16.770 2.075 ( 6.024 0.000 5.695) 8.290 2.150 ( 1.444 0.000 -6.815) 6.966 2.467 ( -3.179 0.000 -1.900) 3.703 2.597 ( 7.584 0.000 8.194) 11.165 2.651 ( -6.038 0.000 10.296) 11.936 2.953 ( -7.924 0.000 4.093) 8.918 3.041 ( 11.265 0.000 -8.718) 14.244 3.095 ( 8.903 0.000 2.232) 9.179 3.230 ( -0.199 0.000 -5.532) 5.536 3.424 ( -2.739 0.000 -4.617) 5.368 3.601 ( 6.288 0.000 -4.201) 7.562 3.711 ( -8.777 0.000 3.369) 9.402 3.801 ( -9.349 0.000 4.769) 10.495 3.979 ( -11.276 0.000 -13.928) 17.920 4.034 ( 24.716 0.000 10.927) 27.024 4.771 ( 9.069 0.000 6.501) 11.158 4.793 ( -1.646 0.000 -3.617) 3.974 5.069 ( -4.413 0.000 -2.488) 5.066 5.120 ( -8.960 0.000 -4.782) 10.157 5.203 ( -4.236 0.000 -13.309) 13.967 5.739 ( 7.185 0.000 3.665) 8.066 5.846 ( 1.498 0.000 -5.401) 5.605 5.851 ( 4.132 0.000 8.105) 9.098 5.969 ( -0.821 0.000 5.514) 5.575 6.328 ( -1.383 0.000 -0.030) 1.383 6.501 ( -5.303 0.000 -2.951) 6.069 7.145 ( 11.496 0.000 6.243) 13.082 7.478 ( -4.061 0.000 -3.697) 5.492 8.110 ( 15.329 0.000 9.927) 18.263 8.448 ( 11.430 0.000 1.481) 11.526 8.793 ( -8.279 0.000 -5.072) 9.709 8.963 ( 12.265 0.000 -8.763) 15.074 9.084 ( -9.574 0.000 8.844) 13.034 9.838 ( -14.756 0.000 -5.142) 15.626 10.441 ( 1.703 0.000 2.813) 3.288 10.596 ( -5.617 0.000 -2.131) 6.008 11.022 ( 13.122 0.000 8.554) 15.663 11.184 ( 4.970 0.000 -1.763) 5.274 11.433 ( -5.281 0.000 -5.454) 7.592 11.577 ( -11.136 0.000 -3.355) 11.631 11.742 ( 8.677 0.000 -0.374) 8.685 12.077 ( -5.686 0.000 -5.121) 7.652 13.059 ( 3.500 0.000 -3.703) 5.095 13.189 ( -1.101 0.000 -4.607) 4.736 13.728 ( 3.558 0.000 1.881) 4.025 13.910 ( 2.064 0.000 -1.837) 2.763 14.116 ( -12.607 0.000 -7.029) 14.434 14.162 ( -9.008 0.000 -10.009) 13.465 14.576 ( 4.741 0.000 1.742) 5.051 14.647 ( 2.256 0.000 1.060) 2.493 14.742 ( -3.553 0.000 -3.942) 5.307 14.773 ( -1.238 0.000 -4.450) 4.619 15.064 ( -1.937 0.000 6.090) 6.391 15.186 ( -6.595 0.000 1.189) 6.701 18.416 ( 9.644 0.000 9.766) 13.725 18.545 ( 4.246 0.000 0.253) 4.253 18.692 ( -3.020 0.000 -4.445) 5.374 18.785 ( -6.847 0.000 -2.124) 7.169 ======================= Grid point 193 (65/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -1.678 0.000 -14.304) 14.402 1.341 ( 1.678 0.000 -14.304) 14.402 2.154 ( -3.084 0.000 -6.540) 7.231 2.154 ( 3.084 0.000 -6.540) 7.231 2.508 ( -6.512 0.000 9.442) 11.469 2.508 ( 6.512 0.000 9.442) 11.469 2.775 ( -8.749 0.000 7.195) 11.328 2.775 ( 8.749 0.000 7.195) 11.328 3.208 ( -3.564 0.000 -8.777) 9.473 3.208 ( 3.564 0.000 -8.777) 9.473 3.295 ( -8.959 0.000 -0.743) 8.990 3.295 ( 8.959 0.000 -0.743) 8.990 3.647 ( -3.428 0.000 6.306) 7.178 3.647 ( 3.428 0.000 6.306) 7.178 3.762 ( -9.014 0.000 -10.720) 14.006 3.762 ( 9.014 0.000 -10.720) 14.006 4.540 ( -21.442 0.000 2.547) 21.593 4.540 ( 21.442 0.000 2.547) 21.593 4.947 ( -7.228 0.000 1.370) 7.357 4.947 ( 7.228 0.000 1.370) 7.357 5.081 ( -5.198 0.000 -11.916) 13.001 5.081 ( 5.198 0.000 -11.916) 13.001 5.853 ( -2.295 0.000 3.291) 4.012 5.853 ( 2.295 0.000 3.291) 4.012 5.928 ( -2.969 0.000 7.606) 8.165 5.928 ( 2.969 0.000 7.606) 8.165 6.372 ( -5.396 0.000 -0.876) 5.467 6.372 ( 5.396 0.000 -0.876) 5.467 7.352 ( -7.983 0.000 1.299) 8.088 7.352 ( 7.983 0.000 1.299) 8.088 8.488 ( -18.927 0.000 10.607) 21.697 8.488 ( 18.927 0.000 10.607) 21.697 8.698 ( -12.400 0.000 -1.393) 12.478 8.698 ( 12.400 0.000 -1.393) 12.478 9.467 ( -20.173 0.000 -9.569) 22.327 9.467 ( 20.173 0.000 -9.569) 22.327 10.496 ( -3.715 0.000 0.713) 3.782 10.496 ( 3.715 0.000 0.713) 3.782 11.306 ( -6.320 0.000 -1.325) 6.458 11.306 ( 6.320 0.000 -1.325) 6.458 11.312 ( -13.736 0.000 2.657) 13.991 11.312 ( 13.736 0.000 2.657) 13.991 11.927 ( -8.318 0.000 -2.843) 8.790 11.927 ( 8.318 0.000 -2.843) 8.790 13.137 ( -3.558 0.000 -6.124) 7.083 13.137 ( 3.558 0.000 -6.124) 7.083 13.874 ( -9.772 0.000 -4.365) 10.703 13.874 ( 9.772 0.000 -4.365) 10.703 13.997 ( -6.158 0.000 -6.627) 9.047 13.997 ( 6.158 0.000 -6.627) 9.047 14.666 ( -3.872 0.000 -0.802) 3.954 14.666 ( 3.872 0.000 -0.802) 3.954 14.716 ( -3.699 0.000 -2.157) 4.282 14.716 ( 3.699 0.000 -2.157) 4.282 15.078 ( -3.244 0.000 2.593) 4.153 15.078 ( 3.244 0.000 2.593) 4.153 18.616 ( -9.031 0.000 3.816) 9.804 18.616 ( 9.031 0.000 3.816) 9.804 18.624 ( -3.418 0.000 -1.674) 3.805 18.624 ( 3.418 0.000 -1.674) 3.805 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 4.835 17.059) 17.731 1.642 ( 0.000 9.679 15.374) 18.167 2.010 ( 0.000 0.213 -6.037) 6.041 2.286 ( 0.000 -4.351 -7.621) 8.775 2.321 ( 0.000 -10.422 -2.412) 10.697 2.473 ( 0.000 -0.498 -13.444) 13.453 2.679 ( 0.000 8.001 -5.770) 9.865 2.739 ( 0.000 -2.141 1.214) 2.461 2.873 ( 0.000 5.576 -4.667) 7.272 3.035 ( 0.000 -7.631 15.383) 17.171 3.330 ( 0.000 6.189 -3.339) 7.032 3.363 ( 0.000 6.045 1.353) 6.194 3.471 ( 0.000 -2.625 9.410) 9.770 3.929 ( 0.000 14.265 8.948) 16.840 4.122 ( 0.000 -1.194 0.007) 1.194 4.198 ( 0.000 -6.230 5.052) 8.021 4.272 ( 0.000 -6.050 4.133) 7.327 4.643 ( 0.000 -2.053 0.434) 2.099 4.742 ( 0.000 0.789 -1.889) 2.047 4.837 ( 0.000 -4.512 -4.307) 6.238 5.055 ( 0.000 -2.859 10.749) 11.122 5.141 ( 0.000 0.568 -7.460) 7.482 5.747 ( 0.000 2.246 -8.723) 9.008 5.795 ( 0.000 0.032 -11.785) 11.785 5.931 ( 0.000 6.231 -20.495) 21.421 6.071 ( 0.000 13.092 -11.551) 17.459 6.408 ( 0.000 -2.221 0.034) 2.222 6.478 ( 0.000 -3.617 -6.251) 7.222 6.596 ( 0.000 3.416 7.949) 8.652 7.372 ( 0.000 -13.241 -8.841) 15.921 7.717 ( 0.000 1.444 -0.982) 1.746 7.843 ( 0.000 1.578 -6.134) 6.334 8.397 ( 0.000 5.013 8.246) 9.650 8.738 ( 0.000 0.509 -0.652) 0.827 9.925 ( 0.000 -6.827 12.243) 14.017 10.070 ( 0.000 -6.996 2.581) 7.457 10.417 ( 0.000 7.861 3.033) 8.425 10.710 ( 0.000 2.010 5.443) 5.802 10.921 ( 0.000 3.596 2.772) 4.540 11.019 ( 0.000 -3.273 -10.904) 11.385 11.428 ( 0.000 4.979 -8.816) 10.124 11.780 ( 0.000 4.581 0.368) 4.596 11.947 ( 0.000 0.520 -13.803) 13.813 12.171 ( 0.000 0.708 -7.742) 7.775 12.986 ( 0.000 10.115 7.768) 12.753 13.286 ( 0.000 12.881 -3.080) 13.244 14.058 ( 0.000 -2.216 13.847) 14.023 14.089 ( 0.000 -2.289 7.122) 7.480 14.253 ( 0.000 -9.750 3.796) 10.462 14.280 ( 0.000 -0.302 1.022) 1.066 14.527 ( 0.000 4.350 -1.321) 4.546 14.695 ( 0.000 -2.503 1.172) 2.764 14.779 ( 0.000 0.386 0.614) 0.725 14.969 ( 0.000 -2.348 -12.344) 12.565 15.430 ( 0.000 0.265 9.548) 9.552 15.447 ( 0.000 0.149 4.200) 4.202 17.967 ( 0.000 -5.807 17.578) 18.512 18.058 ( 0.000 -10.083 9.394) 13.780 18.769 ( 0.000 -0.903 -12.771) 12.803 18.933 ( 0.000 -3.727 -11.869) 12.441 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.12 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 4.813 8.167 13.064) 16.141 1.695 ( 7.851 6.685 12.313) 16.060 1.968 ( -3.622 3.026 -5.695) 7.396 2.248 ( -2.710 -5.108 -5.911) 8.269 2.349 ( 1.117 -7.623 -0.962) 7.764 2.523 ( 3.665 -2.874 -10.168) 11.184 2.651 ( -1.979 5.286 -7.507) 9.392 2.739 ( -0.300 -2.181 0.260) 2.217 2.892 ( 2.654 1.931 2.580) 4.175 3.092 ( 4.677 -6.631 0.093) 8.115 3.310 ( -2.804 5.466 -3.278) 6.963 3.408 ( 3.211 6.605 5.865) 9.398 3.471 ( 3.497 3.746 12.964) 13.940 3.754 ( -11.974 11.575 7.933) 18.447 4.084 ( -6.590 -9.692 -4.371) 12.509 4.119 ( -5.267 -5.298 5.428) 9.234 4.294 ( 1.388 3.566 2.368) 4.500 4.645 ( -6.508 0.831 2.558) 7.042 4.731 ( 1.173 -2.275 -1.222) 2.837 4.909 ( 9.595 -3.591 -4.420) 11.158 5.101 ( 3.279 -2.301 4.058) 5.702 5.152 ( 1.843 -2.071 -3.008) 4.091 5.696 ( -5.257 1.050 -8.599) 10.134 5.784 ( 2.073 1.374 -12.961) 13.197 5.968 ( 0.852 5.767 -11.853) 13.209 6.019 ( -3.372 7.961 -4.079) 9.560 6.440 ( 0.333 -0.637 -8.134) 8.165 6.466 ( -0.555 -4.114 -5.008) 6.505 6.706 ( 10.643 5.001 11.446) 16.410 7.435 ( 4.384 -8.666 -9.938) 13.895 7.793 ( 6.348 1.950 -1.254) 6.758 8.003 ( 15.216 -0.724 -8.481) 17.435 8.306 ( -5.322 6.931 10.910) 13.978 8.822 ( 5.060 -0.883 -2.561) 5.739 9.789 ( -11.744 -5.753 12.829) 18.320 10.072 ( -1.109 -7.463 2.133) 7.841 10.436 ( 1.743 6.921 2.846) 7.684 10.735 ( 2.632 2.926 2.272) 4.545 10.890 ( -2.447 4.214 4.239) 6.459 11.065 ( 3.327 0.065 -7.522) 8.225 11.415 ( -0.400 1.670 -10.844) 10.979 11.718 ( -5.062 3.305 0.814) 6.100 11.920 ( -2.982 1.664 -11.527) 12.023 12.162 ( -0.953 -0.920 -7.381) 7.499 13.024 ( 3.285 10.218 6.191) 12.391 13.289 ( 0.205 12.069 -3.122) 12.468 13.908 ( -9.235 -2.055 10.191) 13.906 14.024 ( -5.327 1.577 8.736) 10.353 14.290 ( 4.342 -6.875 3.374) 8.803 14.362 ( 2.026 -4.444 -0.793) 4.948 14.510 ( -1.734 3.613 -2.677) 4.820 14.684 ( -2.197 -1.481 2.590) 3.705 14.745 ( -1.971 -1.136 -2.195) 3.161 14.911 ( -4.894 -2.685 -11.188) 12.503 15.284 ( -8.376 0.638 9.467) 12.657 15.445 ( -3.853 -1.222 3.496) 5.344 18.027 ( 5.399 -5.133 16.838) 18.412 18.166 ( 8.643 -9.346 7.063) 14.558 18.761 ( -0.805 -1.022 -11.337) 11.412 18.916 ( -1.622 -3.746 -10.651) 11.406 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -3.256 11.108 -0.401) 11.583 1.796 ( -3.699 7.197 -3.576) 8.848 1.965 ( 7.570 7.961 8.309) 13.774 2.182 ( -2.945 -1.174 -4.717) 5.683 2.368 ( 2.264 -7.861 6.592) 10.506 2.546 ( -2.291 -2.787 -7.316) 8.157 2.677 ( 4.710 -3.032 -0.869) 5.668 2.722 ( -0.136 -4.811 -0.646) 4.856 2.997 ( 6.532 -0.779 -0.688) 6.615 3.180 ( 2.939 -1.747 -7.951) 8.655 3.216 ( -6.292 7.478 3.080) 10.247 3.450 ( -1.049 3.065 -0.808) 3.339 3.568 ( -0.573 4.272 3.479) 5.539 3.683 ( 13.333 7.527 13.183) 20.204 3.889 ( -9.792 -4.708 -0.928) 10.905 3.970 ( -8.373 -1.945 5.523) 10.217 4.273 ( -6.273 5.536 -12.705) 15.212 4.541 ( 0.435 -3.184 8.755) 9.326 4.711 ( -1.411 -7.050 -4.879) 8.689 5.092 ( -1.289 -2.599 -9.085) 9.537 5.183 ( 10.815 0.704 -0.534) 10.852 5.258 ( 6.056 0.359 5.606) 8.260 5.616 ( -1.948 -0.277 -2.894) 3.500 5.803 ( -0.876 0.603 -14.379) 14.419 5.956 ( -0.572 8.287 0.217) 8.310 5.980 ( -0.196 0.995 2.141) 2.369 6.378 ( -4.501 -0.645 -1.907) 4.931 6.473 ( -0.505 -6.918 -5.389) 8.784 6.986 ( 14.224 8.821 8.114) 18.600 7.525 ( 4.099 -0.878 -7.400) 8.505 7.927 ( 5.593 4.035 1.983) 7.176 8.282 ( 5.042 4.064 10.738) 12.539 8.434 ( 23.186 -3.035 -14.371) 27.447 8.876 ( -0.712 -1.829 -3.185) 3.741 9.465 ( -18.243 -2.838 13.074) 22.623 9.991 ( -7.052 -7.525 -0.368) 10.320 10.486 ( 3.019 6.972 2.283) 7.933 10.774 ( -2.066 5.455 -7.597) 9.578 10.888 ( 5.586 6.309 13.664) 16.054 11.122 ( 2.114 2.832 -3.654) 5.083 11.447 ( 2.815 -3.533 -14.933) 15.601 11.609 ( -3.738 0.276 3.364) 5.036 11.814 ( -7.034 2.544 -6.153) 9.686 12.119 ( -3.423 -4.091 -6.150) 8.141 13.102 ( 3.679 10.721 2.200) 11.546 13.288 ( -0.319 9.811 -3.113) 10.298 13.760 ( -3.807 1.577 7.511) 8.567 13.936 ( -2.510 2.055 3.049) 4.452 14.308 ( -5.643 -3.334 -6.278) 9.076 14.377 ( -2.878 -1.531 -2.381) 4.037 14.422 ( -2.295 -2.196 -0.655) 3.243 14.626 ( -0.986 -1.004 2.539) 2.903 14.725 ( -1.317 -4.125 -5.936) 7.347 14.808 ( -3.548 -2.243 -5.981) 7.307 15.130 ( -5.988 -0.789 8.434) 10.374 15.313 ( -7.686 -2.305 1.679) 8.198 18.180 ( 8.755 -3.958 14.249) 17.186 18.351 ( 7.962 -7.338 3.958) 11.528 18.731 ( -2.154 -1.297 -8.015) 8.400 18.859 ( -3.903 -3.651 -7.297) 9.044 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.38 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -6.529 13.069 -6.356) 15.932 1.648 ( -8.466 14.270 -6.827) 17.942 2.130 ( 4.393 4.986 2.781) 7.203 2.157 ( 1.892 1.158 -6.015) 6.411 2.435 ( 1.195 -3.856 4.499) 6.044 2.534 ( 3.045 -1.586 6.145) 7.039 2.664 ( -0.690 -2.322 5.070) 5.619 2.871 ( 8.687 -11.221 0.887) 14.218 3.039 ( -7.637 6.770 3.777) 10.882 3.136 ( 5.761 -2.542 -4.769) 7.899 3.238 ( 2.396 1.533 -5.235) 5.958 3.387 ( -5.326 -1.047 -3.640) 6.536 3.597 ( -0.108 -2.411 -2.446) 3.436 3.706 ( -2.549 0.593 -1.196) 2.877 3.779 ( -6.929 -1.730 0.902) 7.198 4.006 ( -2.827 5.144 -4.792) 7.578 4.151 ( 11.491 6.331 -0.257) 13.123 4.625 ( 4.250 -5.375 1.734) 7.068 4.705 ( 0.837 -10.090 -5.843) 11.690 4.970 ( -9.931 0.137 -7.522) 12.459 5.334 ( 2.426 9.840 1.130) 10.197 5.347 ( 1.971 8.267 -1.254) 8.591 5.642 ( 4.176 -5.274 3.272) 7.481 5.771 ( -1.497 -3.642 -6.417) 7.529 5.978 ( 2.246 6.242 6.355) 9.187 5.999 ( 1.929 1.427 4.665) 5.246 6.292 ( -2.870 -2.210 1.426) 3.893 6.415 ( -4.821 -7.498 -1.944) 9.124 7.261 ( 11.426 10.311 5.222) 16.252 7.564 ( -1.611 7.488 -3.060) 8.248 8.098 ( 12.560 -1.046 9.326) 15.679 8.474 ( 11.316 2.238 2.916) 11.898 8.748 ( -8.475 -5.050 -2.380) 10.148 8.938 ( 16.763 -2.242 -9.675) 19.484 9.083 ( -12.799 0.985 6.901) 14.574 9.768 ( -14.023 -6.524 -4.660) 16.153 10.555 ( 3.256 10.255 1.390) 10.849 10.698 ( -3.930 9.443 -2.075) 10.437 11.077 ( 10.848 5.144 7.389) 14.098 11.184 ( 4.649 -0.003 -2.184) 5.136 11.410 ( -5.770 -1.034 -6.230) 8.554 11.610 ( -8.125 1.178 -5.342) 9.796 11.682 ( 5.136 -4.742 1.864) 7.235 12.014 ( -6.483 -6.168 -4.060) 9.827 13.173 ( 3.167 10.773 -2.865) 11.589 13.277 ( -0.943 8.596 -3.900) 9.486 13.758 ( 3.453 2.796 0.432) 4.464 13.927 ( 1.624 1.575 -1.806) 2.895 14.123 ( -11.170 0.311 -8.558) 14.075 14.173 ( -9.602 1.024 -7.715) 12.360 14.497 ( 4.357 -7.445 1.477) 8.752 14.639 ( 0.862 -3.664 -1.267) 3.972 14.673 ( -1.809 -3.158 -2.788) 4.585 14.775 ( -1.076 -0.523 -3.606) 3.800 15.035 ( -2.713 -2.702 5.725) 6.888 15.154 ( -6.914 -3.022 1.028) 7.616 18.379 ( 9.819 -3.285 9.581) 14.107 18.490 ( 5.396 -4.985 1.622) 7.523 18.671 ( -3.412 -1.839 -4.335) 5.815 18.748 ( -6.673 -3.360 -2.344) 7.830 ======================= Grid point 202 (70/100) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -1.775 15.659 -7.383) 17.403 1.526 ( 1.775 15.659 -7.383) 17.403 2.174 ( -1.885 2.111 -6.126) 6.748 2.174 ( 1.885 2.111 -6.126) 6.748 2.497 ( -4.840 -1.013 9.158) 10.408 2.497 ( 4.840 -1.013 9.158) 10.408 2.789 ( -9.555 0.081 5.966) 11.265 2.789 ( 9.555 0.081 5.966) 11.265 3.148 ( -9.013 -7.512 0.484) 11.743 3.148 ( 9.013 -7.512 0.484) 11.743 3.268 ( -2.186 0.325 -7.188) 7.521 3.268 ( 2.186 0.325 -7.188) 7.521 3.615 ( -4.356 -2.169 1.334) 5.046 3.615 ( 4.356 -2.169 1.334) 5.046 3.822 ( -7.900 4.469 -9.975) 13.486 3.822 ( 7.900 4.469 -9.975) 13.486 4.526 ( -15.390 -4.496 -2.574) 16.238 4.526 ( 15.390 -4.496 -2.573) 16.238 4.774 ( -5.577 -1.580 -3.259) 6.650 4.774 ( 5.577 -1.580 -3.259) 6.650 5.353 ( -0.591 14.001 -1.255) 14.070 5.353 ( 0.591 14.001 -1.255) 14.070 5.727 ( -3.116 -7.477 2.273) 8.413 5.727 ( 3.116 -7.477 2.273) 8.413 6.022 ( -0.951 4.682 7.132) 8.584 6.022 ( 0.951 4.682 7.132) 8.584 6.303 ( -4.296 -5.976 0.217) 7.363 6.303 ( 4.296 -5.976 0.217) 7.363 7.461 ( -7.547 10.037 1.799) 12.686 7.461 ( 7.547 10.037 1.799) 12.686 8.431 ( -17.119 -5.653 10.621) 20.925 8.431 ( 17.119 -5.653 10.621) 20.925 8.744 ( -12.548 4.530 -1.906) 13.476 8.744 ( 12.548 4.530 -1.906) 13.476 9.412 ( -19.522 -5.320 -8.870) 22.093 9.412 ( 19.522 -5.320 -8.870) 22.093 10.622 ( -3.271 11.702 0.096) 12.151 10.622 ( 3.271 11.702 0.096) 12.151 11.269 ( -7.146 -0.483 -0.848) 7.212 11.269 ( 7.146 -0.483 -0.848) 7.212 11.369 ( -12.109 2.224 1.127) 12.363 11.369 ( 12.109 2.224 1.127) 12.363 11.854 ( -8.472 -6.799 -2.788) 11.215 11.854 ( 8.472 -6.799 -2.788) 11.215 13.238 ( -2.773 9.631 -5.086) 11.239 13.238 ( 2.773 9.631 -5.086) 11.239 13.893 ( -8.907 1.797 -5.546) 10.645 13.893 ( 8.907 1.797 -5.546) 10.645 14.010 ( -5.573 1.045 -5.958) 8.225 14.010 ( 5.573 1.045 -5.958) 8.225 14.584 ( -3.850 -7.723 -0.928) 8.679 14.584 ( 3.850 -7.723 -0.928) 8.679 14.723 ( -3.638 0.541 -1.833) 4.109 14.723 ( 3.638 0.541 -1.833) 4.109 15.041 ( -3.333 -3.523 2.209) 5.329 15.041 ( 3.333 -3.523 2.209) 5.329 18.573 ( -4.908 -3.434 2.374) 6.444 18.573 ( 4.908 -3.434 2.374) 6.444 18.598 ( -0.792 -2.762 0.195) 2.880 18.598 ( 0.792 -2.762 0.195) 2.880 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.000 7.509 10.948) 13.276 1.809 ( 0.000 5.208 14.654) 15.552 2.010 ( 0.000 0.206 3.194) 3.201 2.129 ( 0.000 -7.371 0.717) 7.406 2.217 ( 0.000 -1.424 1.643) 2.174 2.415 ( 0.000 -5.843 -7.054) 9.159 2.751 ( 0.000 3.980 -9.359) 10.170 2.855 ( 0.000 0.793 0.897) 1.197 2.908 ( 0.000 5.704 -5.776) 8.118 2.947 ( 0.000 0.920 -11.303) 11.341 3.268 ( 0.000 -11.945 -16.392) 20.283 3.395 ( 0.000 -3.195 -6.899) 7.603 3.643 ( 0.000 15.397 20.581) 25.703 3.986 ( 0.000 -4.144 2.703) 4.947 4.130 ( 0.000 5.708 0.400) 5.722 4.277 ( 0.000 -0.276 9.559) 9.563 4.294 ( 0.000 13.937 17.377) 22.276 4.592 ( 0.000 -2.810 2.680) 3.883 4.712 ( 0.000 -7.255 0.435) 7.268 4.737 ( 0.000 -1.478 3.627) 3.916 4.977 ( 0.000 -3.404 4.196) 5.403 5.101 ( 0.000 -4.068 -8.588) 9.502 5.788 ( 0.000 1.793 -16.060) 16.160 5.811 ( 0.000 0.817 -14.101) 14.125 6.064 ( 0.000 5.923 -13.052) 14.333 6.276 ( 0.000 1.654 -18.677) 18.750 6.427 ( 0.000 2.996 0.161) 3.000 6.449 ( 0.000 6.651 -0.902) 6.712 6.640 ( 0.000 1.007 5.005) 5.105 7.057 ( 0.000 -16.722 -2.110) 16.854 7.758 ( 0.000 2.545 -2.878) 3.842 7.849 ( 0.000 -0.947 -6.434) 6.503 8.532 ( 0.000 7.709 10.561) 13.075 8.744 ( 0.000 -0.730 6.542) 6.583 9.793 ( 0.000 -4.666 7.906) 9.180 9.910 ( 0.000 -8.059 2.469) 8.429 10.597 ( 0.000 9.040 -0.956) 9.090 10.735 ( 0.000 0.904 -0.538) 1.052 10.942 ( 0.000 -3.722 -9.989) 10.660 10.961 ( 0.000 -1.096 -3.183) 3.367 11.612 ( 0.000 13.218 -2.227) 13.405 11.886 ( 0.000 5.042 0.909) 5.123 11.961 ( 0.000 0.454 -8.276) 8.288 12.125 ( 0.000 -6.125 -3.459) 7.035 13.269 ( 0.000 16.988 6.410) 18.157 13.594 ( 0.000 15.355 -3.443) 15.737 13.943 ( 0.000 -10.217 10.112) 14.375 14.031 ( 0.000 -3.484 6.921) 7.749 14.103 ( 0.000 -2.750 7.642) 8.121 14.231 ( 0.000 -5.017 2.687) 5.691 14.617 ( 0.000 3.814 -3.595) 5.241 14.650 ( 0.000 -1.254 -1.865) 2.247 14.774 ( 0.000 -0.206 -1.222) 1.240 14.902 ( 0.000 -4.130 -9.053) 9.950 15.439 ( 0.000 0.550 7.917) 7.936 15.450 ( 0.000 0.096 4.826) 4.827 17.831 ( 0.000 -6.549 17.347) 18.542 17.847 ( 0.000 -8.831 14.895) 17.316 18.754 ( 0.000 -0.229 -13.360) 13.362 18.843 ( 0.000 -4.479 -12.859) 13.616 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 5.478 4.523 10.266) 12.484 1.873 ( 5.199 4.731 11.398) 13.391 2.025 ( 2.069 3.264 3.453) 5.182 2.132 ( 0.803 -4.399 -1.201) 4.630 2.261 ( 3.348 -1.078 4.522) 5.729 2.472 ( 2.530 -2.354 -8.452) 9.131 2.740 ( -7.386 -2.144 -2.882) 8.213 2.762 ( -1.773 5.157 -10.045) 11.430 2.774 ( -3.092 -3.637 2.116) 5.222 3.079 ( 5.124 0.211 -12.290) 13.317 3.282 ( 2.214 -6.574 -12.025) 13.882 3.464 ( 3.959 -2.885 -8.574) 9.875 3.681 ( 3.306 14.344 18.621) 23.736 3.903 ( -7.323 2.521 5.334) 9.404 4.000 ( -7.940 5.237 0.339) 9.517 4.124 ( -7.958 4.139 12.451) 15.345 4.343 ( 0.499 0.720 7.667) 7.717 4.622 ( -3.419 -7.834 0.679) 8.575 4.696 ( -4.330 3.605 -0.492) 5.655 4.837 ( 12.842 -2.576 2.139) 13.271 5.041 ( 6.202 -3.752 5.452) 9.070 5.081 ( -0.593 -4.143 -8.279) 9.276 5.747 ( -4.367 3.156 -11.643) 12.829 5.802 ( 0.881 0.561 -15.440) 15.475 6.049 ( -2.730 1.997 -7.601) 8.320 6.158 ( -5.319 4.044 -7.791) 10.264 6.375 ( -1.888 -2.025 -0.552) 2.823 6.479 ( -2.880 1.841 -3.385) 4.811 6.822 ( 16.002 6.943 4.171) 17.935 7.223 ( 12.124 -11.476 -6.553) 17.934 7.846 ( 7.758 3.245 -2.689) 8.829 7.974 ( 11.959 -2.198 -7.092) 14.076 8.481 ( -3.646 9.686 11.438) 15.425 8.786 ( 2.485 -3.287 5.642) 6.987 9.693 ( -8.754 -2.261 7.564) 11.788 9.896 ( -2.101 -9.295 1.908) 9.719 10.597 ( 0.682 8.127 -0.295) 8.161 10.778 ( 4.141 1.134 -1.302) 4.486 10.926 ( -0.185 -0.282 -6.668) 6.677 11.056 ( 6.764 -2.428 -5.766) 9.214 11.549 ( -5.314 12.315 -2.076) 13.572 11.813 ( -5.931 5.493 -0.087) 8.085 11.942 ( -2.603 -0.050 -6.567) 7.064 12.081 ( -3.978 -7.754 -2.628) 9.102 13.309 ( 3.436 16.948 5.441) 18.129 13.585 ( -1.058 14.898 -3.380) 15.313 13.868 ( -4.219 -2.124 8.979) 10.146 14.050 ( -3.281 1.116 8.015) 8.732 14.097 ( 3.247 -10.848 3.357) 11.811 14.255 ( 1.322 -6.868 1.939) 7.258 14.586 ( -2.855 3.387 -4.742) 6.489 14.656 ( -0.066 -0.664 -1.552) 1.689 14.713 ( -5.389 -1.437 -2.826) 6.252 14.836 ( -5.459 -4.502 -8.343) 10.940 15.309 ( -8.700 1.854 7.658) 11.737 15.409 ( -5.643 -2.284 4.160) 7.373 17.910 ( 6.990 -5.313 16.449) 18.646 17.964 ( 9.639 -8.865 12.606) 18.177 18.743 ( -1.064 -0.394 -11.917) 11.971 18.827 ( -1.562 -4.416 -11.518) 12.434 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.044 4.171 6.574) 7.785 1.985 ( 4.742 5.136 6.896) 9.819 2.131 ( 7.202 6.727 1.259) 9.935 2.167 ( 2.237 -0.005 -2.760) 3.552 2.302 ( -1.082 4.453 11.855) 12.710 2.451 ( -0.590 -3.531 -2.539) 4.389 2.620 ( -3.464 -5.677 -5.337) 8.527 2.667 ( -3.110 -0.804 -4.162) 5.257 2.871 ( 6.935 -5.415 -1.840) 8.989 3.133 ( 0.663 -7.783 -10.095) 12.764 3.335 ( -0.406 3.460 -2.763) 4.446 3.500 ( -0.036 -4.073 -12.152) 12.817 3.635 ( -7.523 8.587 6.610) 13.192 3.795 ( -2.911 5.386 1.413) 6.283 3.900 ( -6.145 2.590 6.259) 9.145 4.030 ( 4.410 9.069 10.077) 14.256 4.305 ( -4.816 -3.180 -4.310) 7.203 4.524 ( -3.001 -6.366 -1.618) 7.222 4.625 ( -0.878 7.054 -2.384) 7.497 5.009 ( 0.845 -6.379 -8.457) 10.627 5.182 ( 11.138 -0.924 1.592) 11.290 5.219 ( 9.807 -2.789 6.883) 12.302 5.672 ( -2.438 4.770 -5.872) 7.949 5.809 ( -0.756 -0.232 -13.632) 13.655 5.972 ( -2.709 -0.689 0.773) 2.900 6.087 ( -2.313 2.263 -0.979) 3.380 6.334 ( -2.327 -3.770 0.689) 4.484 6.394 ( -4.843 0.804 2.227) 5.391 7.186 ( 17.114 9.969 2.696) 19.989 7.477 ( 11.919 -4.000 -5.245) 13.622 8.033 ( 7.576 6.207 -1.421) 9.896 8.302 ( 14.846 -5.036 -2.490) 15.873 8.448 ( 4.959 7.220 3.244) 9.341 8.795 ( -2.279 -6.538 5.919) 9.109 9.455 ( -13.110 3.071 5.217) 14.440 9.803 ( -7.037 -10.595 -0.358) 12.724 10.652 ( 4.884 8.645 -0.088) 9.930 10.906 ( 6.688 4.066 -5.338) 9.474 10.934 ( 2.098 1.126 -0.890) 2.542 11.209 ( 6.939 -0.433 -3.453) 7.763 11.427 ( -5.216 7.308 -4.144) 9.888 11.668 ( -7.249 5.162 -0.197) 8.901 11.836 ( -7.497 -0.884 -3.353) 8.260 11.973 ( -5.966 -10.493 -1.911) 12.221 13.395 ( 4.184 17.194 2.952) 17.940 13.547 ( -2.154 14.015 -2.590) 14.414 13.810 ( -1.099 3.112 3.862) 5.080 13.984 ( -2.229 2.732 2.916) 4.575 14.152 ( 1.141 -12.350 0.850) 12.431 14.267 ( -0.033 -7.295 0.238) 7.299 14.448 ( -10.802 2.425 -7.548) 13.399 14.579 ( -5.928 -3.870 -6.224) 9.426 14.654 ( -0.552 -1.410 -2.949) 3.315 14.744 ( -1.564 -3.768 -3.325) 5.263 15.126 ( -8.072 0.839 6.580) 10.448 15.250 ( -8.610 -3.822 2.300) 9.698 18.095 ( 10.000 -3.425 13.633) 17.251 18.185 ( 10.192 -7.837 8.573) 15.453 18.706 ( -2.613 -0.818 -8.374) 8.810 18.774 ( -3.619 -4.159 -7.944) 9.669 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -0.350 11.347 5.109) 12.449 1.975 ( -5.375 16.374 1.104) 17.269 2.199 ( 2.395 1.415 1.093) 2.989 2.250 ( 1.613 6.131 -2.090) 6.675 2.337 ( 5.125 -3.985 9.838) 11.787 2.511 ( 0.985 -3.776 1.417) 4.152 2.571 ( 3.084 -5.699 -0.434) 6.494 2.661 ( 2.646 -7.096 2.438) 7.956 3.023 ( 5.761 -6.101 -0.657) 8.417 3.123 ( -0.317 -9.354 -7.978) 12.298 3.202 ( -9.302 7.393 4.228) 12.612 3.445 ( -6.808 -1.636 -8.036) 10.659 3.559 ( 0.247 4.237 -2.523) 4.937 3.722 ( -6.719 -0.890 -0.175) 6.780 3.764 ( 0.841 2.083 -9.284) 9.552 4.068 ( -11.634 -3.978 -11.688) 16.964 4.280 ( 11.616 10.058 2.299) 15.537 4.556 ( 1.153 -0.090 -4.539) 4.684 4.664 ( 5.628 4.438 0.950) 7.230 4.961 ( -4.908 -3.574 -8.351) 10.325 5.400 ( 8.564 -2.208 4.912) 10.117 5.424 ( 8.705 0.684 3.864) 9.549 5.636 ( -1.387 3.297 -1.057) 3.730 5.747 ( -5.004 1.040 -9.346) 10.652 5.979 ( 3.491 -1.405 4.785) 6.087 6.071 ( 1.122 0.938 5.640) 5.827 6.262 ( -4.752 -4.999 2.695) 7.405 6.279 ( -5.703 0.177 4.598) 7.327 7.503 ( 12.632 12.192 3.944) 17.994 7.718 ( 8.829 5.466 -0.320) 10.389 8.092 ( 1.284 2.168 7.378) 7.796 8.470 ( 0.642 -6.825 8.200) 10.689 8.650 ( 3.867 0.118 -3.854) 5.461 8.861 ( 17.193 -5.373 -5.410) 18.808 9.169 ( -13.516 7.594 0.235) 15.505 9.592 ( -12.994 -10.503 -4.006) 17.182 10.790 ( 7.388 11.519 -0.878) 13.712 10.940 ( 0.502 13.380 -2.880) 13.695 11.117 ( 10.651 -3.080 -0.498) 11.098 11.274 ( -0.512 10.137 3.005) 10.585 11.389 ( -0.815 -3.427 -9.561) 10.190 11.552 ( -1.027 -1.875 -1.056) 2.384 11.638 ( -10.525 -2.165 0.817) 10.776 11.836 ( -7.112 -10.995 -1.759) 13.212 13.466 ( 2.411 17.318 -1.230) 17.528 13.518 ( -0.481 14.155 -2.523) 14.386 13.823 ( 2.568 2.667 -3.074) 4.812 13.970 ( 0.988 2.880 -0.759) 3.138 14.094 ( -6.694 -4.760 -6.598) 10.536 14.201 ( -10.878 1.620 -6.710) 12.883 14.294 ( 2.816 -11.395 -0.194) 11.740 14.458 ( -4.977 -11.086 -6.254) 13.667 14.676 ( 2.696 1.285 -0.371) 3.009 14.757 ( 1.749 -1.162 -2.362) 3.160 14.978 ( -5.638 -1.947 4.451) 7.443 15.074 ( -7.716 -4.608 0.932) 9.036 18.311 ( 10.112 -2.699 8.891) 13.733 18.375 ( 7.852 -5.554 4.595) 10.659 18.632 ( -4.415 -1.656 -4.025) 6.199 18.671 ( -6.242 -3.661 -2.894) 7.794 ======================= Grid point 211 (75/100) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -3.398 17.068 3.524) 17.756 1.870 ( 3.398 17.068 3.524) 17.756 2.243 ( -1.571 4.476 -2.210) 5.233 2.243 ( 1.571 4.476 -2.210) 5.233 2.437 ( -4.488 -5.305 5.800) 9.051 2.437 ( 4.488 -5.305 5.800) 9.051 2.706 ( -2.122 -10.116 4.936) 11.454 2.706 ( 2.122 -10.116 4.936) 11.454 3.037 ( -2.936 0.888 0.444) 3.099 3.037 ( 2.936 0.888 0.444) 3.099 3.264 ( -9.258 -2.868 -3.690) 10.370 3.264 ( 9.258 -2.868 -3.690) 10.370 3.612 ( -4.185 2.876 -6.633) 8.353 3.612 ( 4.185 2.876 -6.633) 8.353 3.849 ( -7.294 -3.611 -13.789) 16.012 3.849 ( 7.294 -3.611 -13.789) 16.012 4.495 ( -7.027 5.789 -3.120) 9.624 4.495 ( 7.027 5.789 -3.120) 9.624 4.820 ( -7.817 0.512 -2.339) 8.175 4.820 ( 7.817 0.512 -2.339) 8.175 5.523 ( -1.689 2.127 4.483) 5.241 5.523 ( 1.689 2.127 4.483) 5.241 5.637 ( -3.782 -0.391 -3.494) 5.164 5.637 ( 3.782 -0.391 -3.494) 5.164 6.082 ( -3.822 1.458 7.525) 8.565 6.082 ( 3.822 1.458 7.525) 8.565 6.185 ( -1.583 -4.515 3.673) 6.031 6.185 ( 1.583 -4.515 3.673) 6.031 7.718 ( -7.304 14.428 3.813) 16.615 7.718 ( 7.304 14.428 3.813) 16.615 8.264 ( -13.277 -10.644 9.617) 19.547 8.264 ( 13.277 -10.644 9.617) 19.547 8.876 ( -13.475 8.302 -3.179) 16.143 8.876 ( 13.475 8.302 -3.179) 16.143 9.263 ( -17.850 -9.016 -7.247) 21.271 9.263 ( 17.850 -9.016 -7.247) 21.271 10.916 ( -3.627 15.835 -1.297) 16.297 10.916 ( 3.627 15.835 -1.297) 16.297 11.286 ( -5.580 0.913 -3.135) 6.465 11.286 ( 5.580 0.913 -3.135) 6.465 11.386 ( -11.389 0.253 1.330) 11.469 11.386 ( 11.389 0.253 1.330) 11.469 11.675 ( -7.885 -10.308 -1.886) 13.114 11.675 ( 7.885 -10.308 -1.886) 13.114 13.504 ( -1.282 15.890 -3.327) 16.285 13.504 ( 1.282 15.890 -3.327) 16.285 13.929 ( -7.344 0.309 -8.040) 10.893 13.929 ( 7.344 0.309 -8.040) 10.893 14.032 ( -5.166 1.633 -3.855) 6.649 14.032 ( 5.166 1.633 -3.855) 6.649 14.367 ( -3.887 -13.042 -2.139) 13.776 14.367 ( 3.887 -13.042 -2.139) 13.776 14.751 ( -3.311 2.580 -0.770) 4.268 14.751 ( 3.311 2.580 -0.770) 4.268 14.945 ( -3.479 -5.614 1.323) 6.736 14.945 ( 3.479 -5.614 1.323) 6.736 18.504 ( -4.242 -2.763 2.388) 5.597 18.504 ( 4.242 -2.763 2.388) 5.597 18.528 ( -1.863 -3.492 1.012) 4.085 18.528 ( 1.863 -3.492 1.012) 4.085 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.000 -2.853 10.866) 11.235 1.831 ( 0.000 2.853 10.866) 11.235 2.034 ( 0.000 -2.455 2.302) 3.365 2.034 ( 0.000 2.455 2.302) 3.365 2.266 ( 0.000 -6.502 7.203) 9.703 2.266 ( 0.000 6.502 7.203) 9.703 2.846 ( 0.000 -1.196 -7.259) 7.357 2.846 ( 0.000 1.196 -7.259) 7.357 2.970 ( 0.000 -5.144 -20.246) 20.889 2.970 ( 0.000 5.144 -20.246) 20.889 3.211 ( 0.000 -10.641 -8.262) 13.472 3.211 ( 0.000 10.641 -8.262) 13.472 3.916 ( 0.000 -8.517 15.276) 17.490 3.916 ( 0.000 8.517 15.276) 17.490 4.225 ( 0.000 -3.297 0.074) 3.298 4.225 ( 0.000 3.297 0.074) 3.298 4.536 ( 0.000 -5.159 9.931) 11.191 4.536 ( 0.000 5.159 9.931) 11.191 4.634 ( 0.000 -4.573 10.588) 11.533 4.634 ( 0.000 4.573 10.588) 11.533 5.001 ( 0.000 -4.914 -6.858) 8.437 5.001 ( 0.000 4.914 -6.858) 8.437 5.813 ( 0.000 -0.600 -15.930) 15.941 5.813 ( 0.000 0.600 -15.930) 15.941 6.184 ( 0.000 -6.328 -14.093) 15.448 6.184 ( 0.000 6.328 -14.093) 15.448 6.536 ( 0.000 -2.879 -5.072) 5.832 6.536 ( 0.000 2.879 -5.072) 5.832 6.742 ( 0.000 -12.730 5.014) 13.682 6.742 ( 0.000 12.730 5.014) 13.682 7.812 ( 0.000 -2.526 -5.053) 5.649 7.812 ( 0.000 2.526 -5.053) 5.649 8.678 ( 0.000 -5.902 11.073) 12.548 8.678 ( 0.000 5.902 11.073) 12.548 9.781 ( 0.000 -3.623 3.558) 5.078 9.781 ( 0.000 3.623 3.558) 5.078 10.732 ( 0.000 -2.833 -0.515) 2.879 10.732 ( 0.000 2.833 -0.515) 2.879 10.909 ( 0.000 -1.572 -10.078) 10.200 10.909 ( 0.000 1.572 -10.078) 10.200 11.900 ( 0.000 -12.296 -1.013) 12.338 11.900 ( 0.000 12.296 -1.013) 12.338 11.965 ( 0.000 -3.650 -1.411) 3.913 11.965 ( 0.000 3.650 -1.411) 3.913 13.613 ( 0.000 -15.148 3.849) 15.629 13.613 ( 0.000 15.148 3.849) 15.629 13.918 ( 0.000 -8.661 4.275) 9.658 13.918 ( 0.000 8.661 4.275) 9.658 14.117 ( 0.000 -4.014 7.481) 8.490 14.117 ( 0.000 4.014 7.481) 8.490 14.647 ( 0.000 -0.319 -4.659) 4.670 14.647 ( 0.000 0.319 -4.659) 4.670 14.814 ( 0.000 -4.052 -4.580) 6.115 14.814 ( 0.000 4.052 -4.580) 6.115 15.449 ( 0.000 -0.302 6.118) 6.126 15.449 ( 0.000 0.302 6.118) 6.126 17.754 ( 0.000 -0.003 17.069) 17.069 17.754 ( 0.000 0.003 17.069) 17.069 18.772 ( 0.000 -2.251 -13.506) 13.692 18.772 ( 0.000 2.251 -13.506) 13.692 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 2.944 -3.123 11.312) 12.099 1.865 ( 2.944 3.123 11.312) 12.099 2.085 ( 4.284 -1.599 1.082) 4.699 2.085 ( 4.284 1.599 1.082) 4.699 2.343 ( 6.205 -8.796 6.133) 12.389 2.343 ( 6.205 8.796 6.133) 12.389 2.731 ( -9.355 -3.830 -3.165) 10.593 2.731 ( -9.355 3.830 -3.165) 10.593 2.935 ( -1.119 -10.613 -18.597) 21.441 2.935 ( -1.119 10.613 -18.597) 21.441 3.314 ( 6.136 -8.039 -10.323) 14.452 3.314 ( 6.136 8.039 -10.323) 14.452 3.921 ( -0.102 -5.780 11.486) 12.859 3.921 ( -0.102 5.780 11.486) 12.859 4.114 ( -7.571 -5.039 5.522) 10.639 4.114 ( -7.571 5.039 5.522) 10.639 4.430 ( -5.905 -9.046 6.090) 12.400 4.430 ( -5.905 9.046 6.090) 12.400 4.784 ( 6.713 -4.009 4.145) 8.850 4.784 ( 6.713 4.009 4.145) 8.850 5.009 ( 3.013 -2.036 -3.890) 5.325 5.009 ( 3.013 2.036 -3.890) 5.325 5.797 ( -1.351 -1.399 -13.467) 13.607 5.797 ( -1.351 1.399 -13.467) 13.607 6.115 ( -5.226 -4.886 -11.365) 13.429 6.115 ( -5.226 4.886 -11.365) 13.429 6.443 ( -4.002 -5.074 3.474) 7.337 6.443 ( -4.002 5.074 3.474) 7.337 6.999 ( 17.137 -10.281 -3.034) 20.214 6.999 ( 17.137 10.281 -3.034) 20.214 7.916 ( 9.540 -3.408 -4.923) 11.264 7.916 ( 9.540 3.408 -4.923) 11.264 8.669 ( -1.161 -8.174 11.050) 13.794 8.669 ( -1.161 8.174 11.050) 13.794 9.732 ( -4.647 -5.911 2.809) 8.026 9.732 ( -4.647 5.911 2.809) 8.026 10.737 ( 1.341 -5.211 -0.872) 5.451 10.737 ( 1.341 5.211 -0.872) 5.451 10.970 ( 4.904 -4.698 -9.618) 11.774 10.970 ( 4.904 4.698 -9.618) 11.774 11.840 ( -5.308 -13.851 1.000) 14.867 11.840 ( -5.308 13.851 1.000) 14.867 11.913 ( -4.669 -3.809 -2.485) 6.518 11.913 ( -4.669 3.809 -2.485) 6.518 13.641 ( 2.377 -12.995 3.570) 13.685 13.641 ( 2.377 12.995 3.570) 13.685 13.912 ( -0.716 -8.003 3.291) 8.683 13.912 ( -0.716 8.003 3.291) 8.683 14.106 ( -0.872 -5.841 5.487) 8.061 14.106 ( -0.872 5.841 5.487) 8.061 14.634 ( -1.670 -1.827 -5.116) 5.684 14.634 ( -1.670 1.827 -5.116) 5.684 14.743 ( -5.939 -4.146 -4.759) 8.667 14.743 ( -5.939 4.146 -4.759) 8.667 15.357 ( -7.718 -2.722 5.608) 9.921 15.357 ( -7.718 2.722 5.608) 9.921 17.858 ( 8.911 -1.105 15.562) 17.966 17.858 ( 8.911 1.105 15.562) 17.966 18.759 ( -1.355 -2.108 -12.084) 12.341 18.759 ( -1.355 2.108 -12.084) 12.341 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 4.531 -4.781 10.985) 12.809 1.944 ( 4.531 4.781 10.985) 12.809 2.194 ( 5.670 -1.152 0.469) 5.804 2.194 ( 5.670 1.152 0.469) 5.804 2.457 ( 1.681 -8.933 2.332) 9.384 2.457 ( 1.681 8.933 2.332) 9.384 2.541 ( -5.766 -10.026 1.059) 11.614 2.541 ( -5.766 10.026 1.059) 11.614 2.929 ( 0.538 -9.178 -12.368) 15.410 2.929 ( 0.538 9.178 -12.368) 15.410 3.402 ( 1.639 -4.023 -9.186) 10.162 3.402 ( 1.639 4.023 -9.186) 10.162 3.791 ( -10.043 -5.202 2.994) 11.700 3.791 ( -10.043 5.202 2.994) 11.700 4.057 ( -2.259 -9.712 5.936) 11.605 4.057 ( -2.259 9.712 5.936) 11.605 4.347 ( 1.375 -9.953 0.548) 10.062 4.347 ( 1.375 9.953 0.548) 10.062 4.832 ( -0.180 -10.669 -5.981) 12.232 4.832 ( -0.180 10.669 -5.981) 12.232 5.177 ( 10.669 -1.365 4.018) 11.482 5.177 ( 10.669 1.365 4.018) 11.482 5.769 ( -1.248 -3.932 -9.463) 10.323 5.769 ( -1.248 3.932 -9.463) 10.323 6.016 ( -3.371 -5.228 -3.492) 7.134 6.016 ( -3.371 5.228 -3.492) 7.134 6.367 ( -3.949 -3.483 5.865) 7.881 6.367 ( -3.949 3.483 5.865) 7.882 7.363 ( 16.870 -7.289 -2.046) 18.491 7.363 ( 16.870 7.289 -2.046) 18.491 8.170 ( 12.289 -7.122 -4.149) 14.797 8.170 ( 12.289 7.122 -4.149) 14.797 8.626 ( -1.849 -9.358 9.286) 13.312 8.626 ( -1.849 9.358 9.286) 13.312 9.590 ( -8.693 -9.559 0.372) 12.926 9.590 ( -8.693 9.559 0.372) 12.926 10.815 ( 6.232 -7.091 -0.971) 9.491 10.815 ( 6.232 7.091 -0.971) 9.491 11.087 ( 5.983 -8.338 -8.661) 13.429 11.087 ( 5.983 8.338 -8.661) 13.429 11.696 ( -8.021 -14.563 3.071) 16.907 11.696 ( -8.021 14.563 3.071) 16.907 11.783 ( -7.227 -4.915 -2.985) 9.235 11.783 ( -7.227 4.915 -2.985) 9.235 13.699 ( 2.701 -6.197 2.246) 7.123 13.699 ( 2.701 6.197 2.246) 7.123 13.888 ( -1.172 -8.798 0.518) 8.891 13.888 ( -1.172 8.798 0.518) 8.891 14.089 ( -0.579 -8.620 1.905) 8.847 14.089 ( -0.579 8.620 1.905) 8.847 14.502 ( -10.626 -3.189 -9.456) 14.577 14.502 ( -10.626 3.189 -9.456) 14.577 14.673 ( 0.195 -2.762 -1.647) 3.222 14.673 ( 0.195 2.762 -1.647) 3.222 15.172 ( -9.089 -3.459 4.006) 10.517 15.172 ( -9.089 3.459 4.006) 10.517 18.077 ( 10.941 -2.200 12.014) 16.398 18.077 ( 10.941 2.200 12.014) 16.398 18.712 ( -3.166 -1.701 -8.417) 9.152 18.712 ( -3.166 1.701 -8.417) 9.152 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 5.863 -9.589 9.475) 14.701 2.055 ( 5.863 9.589 9.475) 14.701 2.283 ( -0.552 -7.785 4.845) 9.186 2.283 ( -0.552 7.785 4.845) 9.186 2.375 ( -0.499 -6.350 1.264) 6.494 2.375 ( -0.499 6.350 1.264) 6.494 2.541 ( -0.752 -5.802 -0.454) 5.868 2.541 ( -0.752 5.802 -0.454) 5.868 2.979 ( 5.158 -3.606 -5.206) 8.168 2.979 ( 5.158 3.606 -5.206) 8.168 3.342 ( -7.405 -6.436 -2.823) 10.209 3.342 ( -7.405 6.436 -2.823) 10.209 3.662 ( -0.970 -4.180 -6.328) 7.645 3.662 ( -0.970 4.180 -6.328) 7.645 3.900 ( -9.928 -9.639 -8.813) 16.406 3.900 ( -9.928 9.639 -8.813) 16.406 4.505 ( 10.325 -8.867 1.353) 13.677 4.505 ( 10.325 8.867 1.353) 13.677 4.808 ( -2.596 -9.831 -5.346) 11.487 4.808 ( -2.596 9.831 -5.346) 11.487 5.398 ( 9.970 -2.363 3.185) 10.730 5.398 ( 9.970 2.363 3.185) 10.730 5.718 ( -4.331 -4.334 -6.173) 8.697 5.718 ( -4.331 4.334 -6.173) 8.697 6.006 ( 2.933 -4.202 4.491) 6.814 6.006 ( 2.933 4.202 4.491) 6.814 6.261 ( -6.126 -2.101 6.887) 9.454 6.261 ( -6.126 2.101 6.887) 9.454 7.703 ( 15.464 -6.579 3.026) 17.076 7.703 ( 15.464 6.579 3.026) 17.076 8.246 ( -6.721 -11.848 6.171) 14.954 8.246 ( -6.721 11.848 6.171) 14.954 8.738 ( 13.565 -6.197 -2.772) 15.169 8.738 ( 13.565 6.197 -2.772) 15.169 9.366 ( -12.596 -11.170 -2.936) 17.089 9.366 ( -12.596 11.170 -2.936) 17.089 10.989 ( 9.808 -7.871 -1.287) 12.642 10.989 ( 9.808 7.871 -1.287) 12.642 11.214 ( 5.389 -11.464 -6.908) 14.429 11.214 ( 5.389 11.464 -6.908) 14.429 11.515 ( -8.305 -10.856 2.551) 13.904 11.515 ( -8.305 10.856 2.551) 13.904 11.625 ( -7.657 -7.575 -1.432) 10.865 11.625 ( -7.657 7.575 -1.432) 10.865 13.748 ( 2.365 -3.059 -1.621) 4.193 13.748 ( 2.365 3.059 -1.621) 4.193 13.871 ( -1.034 -12.244 -1.881) 12.431 13.871 ( -1.034 12.244 -1.881) 12.431 14.083 ( 0.314 -8.220 -1.100) 8.299 14.083 ( 0.314 8.220 -1.100) 8.299 14.274 ( -9.690 -5.626 -9.299) 14.561 14.274 ( -9.690 5.626 -9.299) 14.561 14.718 ( 3.908 -2.587 -0.724) 4.742 14.718 ( 3.908 2.587 -0.724) 4.742 14.989 ( -8.171 -3.023 1.986) 8.936 14.989 ( -8.171 3.023 1.986) 8.936 18.297 ( 9.689 -1.670 7.296) 12.244 18.297 ( 9.689 1.670 7.296) 12.244 18.621 ( -5.498 -0.948 -3.527) 6.600 18.621 ( -5.498 0.948 -3.527) 6.600 ======================= Grid point 224 (80/100) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -5.747 -12.526 8.045) 15.958 2.182 ( 5.358 -12.483 8.045) 15.788 2.182 ( -5.358 12.483 8.045) 15.788 2.182 ( 5.747 12.526 8.045) 15.958 2.464 ( -4.728 -10.310 0.458) 11.351 2.464 ( 3.579 -10.193 0.458) 10.813 2.464 ( -3.579 10.193 0.458) 10.813 2.464 ( 4.728 10.310 0.458) 11.352 3.148 ( -9.735 -7.353 -1.709) 12.319 3.148 ( 7.656 -6.710 -1.709) 10.323 3.148 ( -7.656 6.710 -1.709) 10.323 3.148 ( 9.735 7.353 -1.709) 12.319 3.721 ( -5.167 -6.874 -12.349) 15.048 3.721 ( 2.188 -6.464 -12.349) 14.109 3.721 ( -2.187 6.464 -12.349) 14.109 3.721 ( 5.167 6.874 -12.349) 15.048 4.702 ( -6.269 -10.816 -1.985) 12.658 4.702 ( 3.499 -10.499 -1.985) 11.243 4.702 ( -3.499 10.499 -1.985) 11.243 4.702 ( 6.269 10.816 -1.985) 12.658 5.587 ( -7.137 -4.434 -0.732) 8.434 5.587 ( -1.149 -2.693 -0.732) 3.018 5.587 ( 1.149 2.693 -0.732) 3.018 5.587 ( 7.137 4.434 -0.732) 8.434 6.119 ( -6.740 -2.513 6.909) 9.973 6.119 ( -4.900 0.980 6.909) 8.527 6.119 ( 4.900 -0.980 6.909) 8.527 6.119 ( 6.740 2.513 6.909) 9.973 8.012 ( -11.623 -13.560 6.998) 19.182 8.012 ( 3.722 -12.393 6.998) 14.711 8.012 ( -3.722 12.393 6.998) 14.711 8.012 ( 11.623 13.560 6.998) 19.182 9.066 ( -15.631 -10.039 -5.159) 19.280 9.066 ( 13.365 -9.185 -5.159) 17.017 9.066 ( -13.365 9.185 -5.159) 17.017 9.066 ( 15.631 10.039 -5.159) 19.280 11.195 ( -8.163 -10.224 -3.029) 13.429 11.195 ( 7.437 -10.084 -3.029) 12.891 11.195 ( -7.437 10.084 -3.029) 12.891 11.195 ( 8.163 10.224 -3.029) 13.429 11.473 ( -5.048 -8.306 0.017) 9.720 11.473 ( 3.828 -8.142 0.017) 8.997 11.473 ( -3.828 8.142 0.017) 8.997 11.473 ( 5.048 8.306 0.017) 9.720 13.816 ( -2.851 -12.288 -3.953) 13.219 13.816 ( 2.197 -12.254 -3.953) 13.062 13.816 ( -2.197 12.254 -3.953) 13.062 13.816 ( 2.851 12.288 -3.953) 13.219 14.127 ( -3.880 -8.509 -4.774) 10.500 14.127 ( 3.280 -8.446 -4.774) 10.241 14.127 ( -3.280 8.446 -4.774) 10.241 14.127 ( 3.880 8.509 -4.774) 10.500 14.831 ( -5.357 -4.826 0.333) 7.218 14.831 ( -0.941 -4.042 0.333) 4.163 14.831 ( 0.941 4.042 0.333) 4.163 14.831 ( 5.357 4.826 0.333) 7.218 18.481 ( -7.689 -0.417 1.902) 7.932 18.481 ( -7.654 0.194 1.902) 7.889 18.481 ( 7.654 -0.194 1.902) 7.889 18.481 ( 7.689 0.417 1.902) 7.932 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.000 0.000 5.501) 5.501 1.827 ( 0.000 0.000 -6.044) 6.044 1.883 ( 0.000 0.000 16.248) 16.248 2.184 ( 0.000 0.000 -15.104) 15.104 2.258 ( 0.000 0.000 2.723) 2.723 2.398 ( 0.000 0.000 -9.910) 9.910 2.475 ( 0.000 0.000 6.590) 6.590 2.647 ( 0.000 0.000 -9.057) 9.057 3.020 ( 0.000 0.000 12.179) 12.179 3.228 ( 0.000 0.000 -7.458) 7.458 3.231 ( 0.000 0.000 0.593) 0.593 3.265 ( 0.000 0.000 -2.533) 2.533 3.908 ( 0.000 0.000 10.072) 10.072 4.014 ( 0.000 0.000 22.661) 22.661 4.071 ( 0.000 0.000 -5.628) 5.628 4.275 ( 0.000 0.000 -8.658) 8.658 4.469 ( 0.000 0.000 22.946) 22.946 4.650 ( 0.000 0.000 0.558) 0.558 4.730 ( 0.000 0.000 -7.335) 7.335 4.811 ( 0.000 0.000 8.925) 8.925 4.995 ( 0.000 0.000 -8.489) 8.489 5.109 ( 0.000 0.000 -31.301) 31.301 5.371 ( 0.000 0.000 5.253) 5.253 5.576 ( 0.000 0.000 -11.668) 11.668 5.742 ( 0.000 0.000 1.486) 1.486 5.786 ( 0.000 0.000 -3.341) 3.341 6.370 ( 0.000 0.000 -1.154) 1.154 6.402 ( 0.000 0.000 -4.114) 4.114 6.907 ( 0.000 0.000 18.334) 18.334 7.241 ( 0.000 0.000 -15.948) 15.948 7.711 ( 0.000 0.000 1.138) 1.138 7.746 ( 0.000 0.000 -2.545) 2.545 8.488 ( 0.000 0.000 7.390) 7.390 8.625 ( 0.000 0.000 -6.513) 6.513 10.177 ( 0.000 0.000 3.645) 3.645 10.186 ( 0.000 0.000 1.316) 1.316 10.462 ( 0.000 0.000 7.580) 7.580 10.619 ( 0.000 0.000 -8.336) 8.336 10.973 ( 0.000 0.000 3.519) 3.519 11.145 ( 0.000 0.000 -12.329) 12.329 11.186 ( 0.000 0.000 21.388) 21.388 11.591 ( 0.000 0.000 -19.713) 19.713 11.814 ( 0.000 0.000 7.264) 7.264 11.973 ( 0.000 0.000 -8.772) 8.772 13.016 ( 0.000 0.000 5.456) 5.456 13.098 ( 0.000 0.000 -3.092) 3.092 14.273 ( 0.000 0.000 8.652) 8.652 14.319 ( 0.000 0.000 3.210) 3.210 14.362 ( 0.000 0.000 8.539) 8.539 14.406 ( 0.000 0.000 -3.391) 3.391 14.414 ( 0.000 0.000 3.858) 3.858 14.703 ( 0.000 0.000 -15.932) 15.932 14.737 ( 0.000 0.000 -0.221) 0.221 14.744 ( 0.000 0.000 -1.655) 1.655 15.548 ( 0.000 0.000 4.262) 4.262 15.563 ( 0.000 0.000 3.165) 3.165 18.319 ( 0.000 0.000 9.343) 9.343 18.383 ( 0.000 0.000 17.905) 17.905 18.533 ( 0.000 0.000 -12.293) 12.293 18.711 ( 0.000 0.000 -15.400) 15.400 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -4.891 0.000 2.485) 5.486 1.750 ( -7.143 0.000 -5.641) 9.102 1.961 ( 5.917 0.000 13.974) 15.175 2.184 ( -0.630 0.000 -6.847) 6.876 2.341 ( 6.584 0.000 -4.447) 7.945 2.420 ( 3.407 0.000 -8.033) 8.726 2.517 ( 3.932 0.000 8.090) 8.995 2.701 ( 4.863 0.000 -8.937) 10.175 2.999 ( -1.831 0.000 11.246) 11.394 3.191 ( -3.166 0.000 -7.423) 8.070 3.232 ( -0.021 0.000 2.175) 2.175 3.298 ( 2.155 0.000 -4.198) 4.718 3.792 ( -8.403 0.000 12.672) 15.204 3.973 ( -2.394 0.000 20.543) 20.682 4.031 ( -4.399 0.000 -11.190) 12.023 4.177 ( -8.603 0.000 -5.767) 10.357 4.327 ( -8.154 0.000 14.316) 16.476 4.650 ( -4.305 0.000 -13.205) 13.889 4.804 ( -0.016 0.000 11.093) 11.093 4.879 ( 14.033 0.000 7.932) 16.119 5.008 ( 0.670 0.000 -8.949) 8.974 5.259 ( 10.583 0.000 -26.186) 28.243 5.350 ( -1.192 0.000 8.337) 8.422 5.562 ( -1.354 0.000 -12.062) 12.138 5.780 ( 3.697 0.000 3.397) 5.021 5.849 ( 4.949 0.000 -3.577) 6.106 6.375 ( 0.585 0.000 -0.785) 0.979 6.411 ( 0.803 0.000 -3.955) 4.036 6.968 ( 5.543 0.000 16.567) 17.470 7.273 ( 2.795 0.000 -14.558) 14.823 7.787 ( 7.036 0.000 2.437) 7.446 7.865 ( 11.132 0.000 -5.682) 12.498 8.463 ( -0.984 0.000 11.810) 11.851 8.674 ( 3.043 0.000 -9.625) 10.094 10.078 ( -9.036 0.000 7.599) 11.806 10.162 ( -3.736 0.000 -1.583) 4.058 10.469 ( 0.623 0.000 6.382) 6.412 10.607 ( -1.079 0.000 -7.652) 7.728 10.994 ( 2.265 0.000 2.483) 3.361 11.147 ( 0.939 0.000 -12.122) 12.158 11.172 ( -0.966 0.000 21.235) 21.257 11.569 ( -1.914 0.000 -19.024) 19.120 11.803 ( -0.837 0.000 8.319) 8.361 11.978 ( 0.392 0.000 -9.349) 9.357 13.033 ( 1.241 0.000 5.003) 5.155 13.111 ( 1.002 0.000 -3.098) 3.256 14.153 ( -9.441 0.000 11.326) 14.745 14.176 ( -8.569 0.000 8.771) 12.262 14.329 ( -5.793 0.000 -6.701) 8.858 14.358 ( -5.739 0.000 -8.745) 10.460 14.480 ( 4.389 0.000 8.746) 9.785 14.691 ( -0.767 0.000 -12.320) 12.344 14.733 ( -0.119 0.000 -0.242) 0.270 14.734 ( -1.157 0.000 0.224) 1.178 15.450 ( -7.242 0.000 6.415) 9.675 15.508 ( -5.710 0.000 0.422) 5.726 18.381 ( 5.021 0.000 7.490) 9.017 18.416 ( 2.966 0.000 16.715) 16.976 18.559 ( 2.053 0.000 -10.492) 10.691 18.719 ( 0.641 0.000 -14.099) 14.114 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -11.757 0.000 -2.432) 12.006 1.541 ( -12.071 0.000 -5.719) 13.357 2.057 ( 2.228 0.000 5.250) 5.703 2.142 ( -3.285 0.000 -2.839) 4.342 2.455 ( 5.620 0.000 2.930) 6.338 2.604 ( 11.558 0.000 -9.482) 14.950 2.635 ( 6.981 0.000 10.684) 12.762 2.834 ( 7.205 0.000 -8.442) 11.099 2.947 ( -3.027 0.000 10.050) 10.496 3.122 ( -2.728 0.000 -7.807) 8.270 3.208 ( -2.578 0.000 4.735) 5.391 3.314 ( -0.873 0.000 -6.128) 6.190 3.652 ( -3.892 0.000 11.177) 11.835 3.901 ( -7.272 0.000 -14.073) 15.841 3.936 ( -2.509 0.000 5.054) 5.643 3.960 ( -10.556 0.000 -0.288) 10.559 4.210 ( -0.580 0.000 21.573) 21.581 4.603 ( 0.140 0.000 -15.575) 15.576 4.829 ( 2.446 0.000 10.773) 11.047 5.013 ( -0.138 0.000 -7.908) 7.909 5.081 ( 2.064 0.000 3.726) 4.259 5.243 ( -7.516 0.000 -6.693) 10.064 5.536 ( 12.143 0.000 -4.236) 12.860 5.587 ( 6.938 0.000 -7.037) 9.882 5.880 ( 5.170 0.000 5.073) 7.244 5.956 ( 4.520 0.000 -2.379) 5.108 6.377 ( -0.626 0.000 1.084) 1.252 6.437 ( 1.162 0.000 -4.724) 4.865 7.116 ( 7.818 0.000 12.121) 14.424 7.341 ( 3.206 0.000 -10.754) 11.222 8.001 ( 13.297 0.000 8.034) 15.535 8.193 ( 18.762 0.000 -11.464) 21.988 8.477 ( 2.629 0.000 12.305) 12.583 8.712 ( 0.223 0.000 -11.103) 11.105 9.795 ( -17.434 0.000 13.226) 21.883 9.997 ( -12.172 0.000 -7.294) 14.190 10.482 ( 0.461 0.000 4.114) 4.140 10.579 ( -1.584 0.000 -5.909) 6.118 11.073 ( 5.098 0.000 2.494) 5.676 11.169 ( 1.236 0.000 19.182) 19.222 11.207 ( 4.464 0.000 -11.117) 11.980 11.519 ( -2.716 0.000 -16.144) 16.371 11.792 ( 0.140 0.000 9.640) 9.641 11.983 ( -0.123 0.000 -9.573) 9.574 13.048 ( -0.252 0.000 3.798) 3.806 13.123 ( -0.224 0.000 -3.689) 3.696 13.942 ( -9.348 0.000 11.180) 14.573 14.007 ( -6.652 0.000 6.554) 9.338 14.163 ( -8.868 0.000 -9.147) 12.740 14.172 ( -10.919 0.000 -11.857) 16.119 14.560 ( 3.253 0.000 5.535) 6.420 14.681 ( -0.229 0.000 -6.783) 6.787 14.700 ( -1.718 0.000 2.049) 2.674 14.728 ( -0.462 0.000 -1.328) 1.406 15.290 ( -7.298 0.000 5.778) 9.308 15.354 ( -8.035 0.000 -0.803) 8.075 18.489 ( 4.534 0.000 4.279) 6.235 18.497 ( 4.387 0.000 13.218) 13.927 18.599 ( 1.391 0.000 -6.877) 7.016 18.729 ( 0.079 0.000 -10.457) 10.458 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -11.440 0.000 -4.729) 12.379 1.273 ( -12.021 0.000 -7.158) 13.990 2.054 ( -1.883 0.000 -1.980) 2.733 2.073 ( -2.502 0.000 -3.066) 3.957 2.584 ( 6.150 0.000 10.875) 12.493 2.783 ( 0.840 0.000 -5.291) 5.357 2.787 ( 6.826 0.000 10.345) 12.394 2.922 ( 4.523 0.000 4.715) 6.534 2.953 ( 1.896 0.000 -5.193) 5.528 3.087 ( -0.927 0.000 -8.555) 8.605 3.167 ( 1.192 0.000 5.661) 5.786 3.295 ( -0.453 0.000 -7.198) 7.212 3.602 ( -1.575 0.000 3.877) 4.185 3.741 ( -7.602 0.000 -10.044) 12.597 3.783 ( -5.443 0.000 3.902) 6.697 3.839 ( -5.537 0.000 -1.050) 5.635 4.339 ( 11.335 0.000 18.133) 21.384 4.650 ( 3.859 0.000 -11.861) 12.473 4.899 ( 3.783 0.000 6.226) 7.285 4.997 ( -8.123 0.000 -5.668) 9.905 5.003 ( -0.859 0.000 -4.360) 4.444 5.007 ( -13.074 0.000 -5.290) 14.104 5.785 ( 10.830 0.000 0.868) 10.865 5.795 ( 9.439 0.000 -0.382) 9.447 5.977 ( 3.761 0.000 4.652) 5.983 6.024 ( 1.821 0.000 0.084) 1.823 6.356 ( -1.031 0.000 2.830) 3.012 6.428 ( -2.260 0.000 -4.172) 4.745 7.271 ( 6.356 0.000 6.448) 9.054 7.388 ( 0.901 0.000 -5.461) 5.535 8.324 ( 15.392 0.000 11.735) 19.355 8.508 ( 8.207 0.000 -0.055) 8.207 8.622 ( 5.656 0.000 -4.870) 7.464 8.750 ( 12.280 0.000 -10.585) 16.213 9.380 ( -20.766 0.000 16.244) 26.365 9.665 ( -18.783 0.000 -12.308) 22.456 10.489 ( 0.330 0.000 2.384) 2.407 10.541 ( -1.950 0.000 -2.969) 3.553 11.193 ( 5.777 0.000 2.848) 6.441 11.238 ( 5.107 0.000 12.221) 13.245 11.294 ( 2.630 0.000 -7.151) 7.619 11.455 ( -3.615 0.000 -9.198) 9.883 11.818 ( 2.456 0.000 6.799) 7.229 11.960 ( -2.286 0.000 -6.982) 7.347 13.026 ( -1.152 0.000 0.894) 1.458 13.090 ( -2.838 0.000 -5.005) 5.754 13.799 ( -3.643 0.000 5.607) 6.687 13.916 ( -1.957 0.000 2.276) 3.002 13.946 ( -9.565 0.000 -9.063) 13.176 13.999 ( -6.044 0.000 -6.345) 8.763 14.619 ( 2.319 0.000 2.636) 3.511 14.675 ( -0.437 0.000 -3.101) 3.131 14.680 ( 0.066 0.000 1.942) 1.943 14.716 ( -0.636 0.000 -1.923) 2.025 15.159 ( -4.691 0.000 3.531) 5.872 15.199 ( -6.212 0.000 -0.478) 6.230 18.561 ( 2.391 0.000 1.602) 2.878 18.589 ( 4.215 0.000 7.816) 8.880 18.611 ( -0.162 0.000 -3.541) 3.545 18.716 ( -1.452 0.000 -5.055) 5.259 ======================= Grid point 256 (85/100) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.803 0.000 -6.801) 6.848 1.119 ( 0.803 0.000 -6.801) 6.848 2.036 ( -0.714 0.000 -3.802) 3.869 2.036 ( 0.714 0.000 -3.802) 3.869 2.706 ( -5.334 0.000 8.330) 9.891 2.706 ( 5.334 0.000 8.330) 9.891 2.906 ( -4.501 0.000 4.925) 6.672 2.906 ( 4.501 0.000 4.925) 6.672 3.045 ( -4.032 0.000 -6.807) 7.912 3.045 ( 4.032 0.000 -6.807) 7.912 3.256 ( -4.337 0.000 -2.360) 4.937 3.256 ( 4.337 0.000 -2.360) 4.937 3.612 ( -3.607 0.000 -4.101) 5.461 3.612 ( 3.607 0.000 -4.101) 5.461 3.749 ( -2.055 0.000 3.202) 3.804 3.749 ( 2.055 0.000 3.202) 3.804 4.618 ( -12.531 0.000 5.698) 13.765 4.618 ( 12.531 0.000 5.698) 13.765 4.845 ( -4.669 0.000 -10.823) 11.787 4.845 ( 4.669 0.000 -10.823) 11.787 4.969 ( -2.544 0.000 0.687) 2.636 4.969 ( 2.544 0.000 0.687) 2.636 5.912 ( -0.168 0.000 2.002) 2.009 5.912 ( 0.168 0.000 2.002) 2.009 6.030 ( -1.171 0.000 2.727) 2.968 6.030 ( 1.171 0.000 2.727) 2.968 6.365 ( -2.472 0.000 -0.125) 2.475 6.365 ( 2.472 0.000 -0.125) 2.475 7.369 ( -2.829 0.000 0.439) 2.863 7.369 ( 2.829 0.000 0.439) 2.863 8.527 ( -5.150 0.000 -1.705) 5.425 8.527 ( 5.150 0.000 -1.705) 5.425 8.861 ( -17.118 0.000 12.277) 21.065 8.861 ( 17.118 0.000 12.277) 21.065 9.246 ( -18.519 0.000 -11.532) 21.816 9.246 ( 18.519 0.000 -11.532) 21.816 10.505 ( -1.275 0.000 0.196) 1.290 10.505 ( 1.275 0.000 0.196) 1.290 11.291 ( -2.882 0.000 -0.356) 2.904 11.291 ( 2.882 0.000 -0.356) 2.904 11.358 ( -5.575 0.000 1.539) 5.783 11.358 ( 5.575 0.000 1.539) 5.783 11.890 ( -3.937 0.000 -0.867) 4.032 11.890 ( 3.937 0.000 -0.867) 4.032 13.031 ( -1.934 0.000 -3.546) 4.039 13.031 ( 1.934 0.000 -3.546) 4.039 13.800 ( -3.753 0.000 -2.387) 4.448 13.800 ( 3.753 0.000 -2.387) 4.448 13.917 ( -1.901 0.000 -1.855) 2.656 13.917 ( 1.901 0.000 -1.855) 2.656 14.657 ( -1.316 0.000 -0.187) 1.330 14.657 ( 1.316 0.000 -0.187) 1.330 14.698 ( -1.170 0.000 -0.126) 1.177 14.698 ( 1.170 0.000 -0.126) 1.177 15.117 ( -1.058 0.000 1.065) 1.502 15.117 ( 1.058 0.000 1.065) 1.502 18.597 ( -1.163 0.000 -0.829) 1.429 18.597 ( 1.163 0.000 -0.829) 1.429 18.667 ( -3.079 0.000 1.362) 3.367 18.667 ( 3.079 0.000 1.362) 3.367 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.000 6.208 2.756) 6.792 1.845 ( 0.000 3.356 2.110) 3.964 1.922 ( 0.000 2.281 7.352) 7.697 2.186 ( 0.000 0.299 -14.504) 14.507 2.290 ( 0.000 3.088 6.991) 7.642 2.408 ( 0.000 -2.670 8.044) 8.476 2.497 ( 0.000 5.278 -8.883) 10.333 2.646 ( 0.000 -1.083 -10.581) 10.636 2.916 ( 0.000 -7.330 8.051) 10.888 3.087 ( 0.000 -11.075 -7.489) 13.369 3.268 ( 0.000 -1.840 -0.545) 1.919 3.286 ( 0.000 2.947 -1.508) 3.310 3.942 ( 0.000 -1.889 21.234) 21.318 4.026 ( 0.000 6.141 3.333) 6.987 4.073 ( 0.000 -4.198 -3.225) 5.294 4.248 ( 0.000 2.987 -8.963) 9.447 4.526 ( 0.000 6.958 28.273) 29.116 4.648 ( 0.000 0.038 1.316) 1.316 4.720 ( 0.000 -1.031 -5.924) 6.013 4.801 ( 0.000 -1.126 8.280) 8.356 4.987 ( 0.000 -1.088 -8.866) 8.933 5.159 ( 0.000 4.591 -26.904) 27.293 5.330 ( 0.000 -3.618 4.339) 5.650 5.554 ( 0.000 -1.725 -12.521) 12.639 5.835 ( 0.000 6.836 1.195) 6.939 5.902 ( 0.000 8.449 -5.899) 10.304 6.361 ( 0.000 -0.007 -0.823) 0.823 6.386 ( 0.000 -0.850 -3.144) 3.257 6.880 ( 0.000 -2.456 15.514) 15.707 7.159 ( 0.000 -7.479 -12.825) 14.847 7.715 ( 0.000 0.408 0.854) 0.946 7.753 ( 0.000 0.405 -3.167) 3.192 8.553 ( 0.000 6.138 7.490) 9.684 8.679 ( 0.000 4.948 -5.080) 7.091 10.089 ( 0.000 -7.877 4.067) 8.865 10.108 ( 0.000 -7.109 1.109) 7.195 10.500 ( 0.000 3.648 5.541) 6.634 10.628 ( 0.000 0.953 -7.210) 7.273 10.933 ( 0.000 -3.570 2.045) 4.114 11.025 ( 0.000 -6.180 -2.739) 6.760 11.379 ( 0.000 12.679 9.512) 15.850 11.658 ( 0.000 6.054 -15.632) 16.763 11.866 ( 0.000 4.342 6.738) 8.016 12.014 ( 0.000 3.014 -8.107) 8.649 13.119 ( 0.000 9.984 5.856) 11.575 13.215 ( 0.000 11.211 -4.157) 11.957 14.244 ( 0.000 -3.000 7.602) 8.173 14.302 ( 0.000 -7.706 1.613) 7.873 14.317 ( 0.000 -0.124 2.838) 2.841 14.332 ( 0.000 -2.071 9.754) 9.971 14.478 ( 0.000 3.412 -0.456) 3.442 14.692 ( 0.000 -1.377 -11.853) 11.932 14.700 ( 0.000 -3.123 -3.372) 4.596 14.726 ( 0.000 -1.926 -3.373) 3.884 15.550 ( 0.000 0.215 4.160) 4.166 15.562 ( 0.000 -0.008 3.258) 3.258 18.255 ( 0.000 -5.714 10.996) 12.392 18.311 ( 0.000 -6.384 16.140) 17.356 18.518 ( 0.000 -1.475 -11.422) 11.517 18.664 ( 0.000 -4.281 -15.398) 15.982 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.12 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -2.679 7.744 0.630) 8.218 1.815 ( -3.692 6.339 -3.645) 8.191 1.986 ( 5.414 1.979 11.379) 12.756 2.204 ( -0.670 2.220 -5.892) 6.332 2.327 ( 5.206 -1.287 -0.800) 5.422 2.457 ( 2.719 2.144 -2.188) 4.096 2.496 ( 2.429 -0.853 4.043) 4.793 2.708 ( 4.635 -1.142 -8.595) 9.831 2.912 ( 0.116 -5.147 5.449) 7.496 3.050 ( -2.871 -10.714 -6.335) 12.773 3.279 ( 1.279 0.974 1.666) 2.315 3.335 ( 3.167 2.109 -3.367) 5.081 3.889 ( -10.486 3.750 5.526) 12.432 3.923 ( -2.146 0.458 16.030) 16.180 3.997 ( -5.671 -4.276 -2.203) 7.436 4.198 ( -4.814 4.244 -9.203) 11.220 4.357 ( -8.553 4.078 16.934) 19.405 4.640 ( -5.436 -1.033 -10.181) 11.587 4.775 ( -0.632 -2.335 9.559) 9.860 4.907 ( 10.304 1.522 7.854) 13.045 4.983 ( 2.229 -1.795 -7.591) 8.113 5.286 ( 9.586 2.002 -17.526) 20.076 5.319 ( 0.043 -1.977 1.674) 2.591 5.528 ( -0.849 -1.725 -11.083) 11.248 5.894 ( 4.284 7.154 0.555) 8.357 5.939 ( 2.736 6.726 -3.687) 8.144 6.358 ( 0.060 -0.631 -0.620) 0.887 6.387 ( -0.089 -1.346 -3.089) 3.371 6.966 ( 7.724 -0.355 13.784) 15.805 7.221 ( 5.460 -4.875 -12.094) 14.136 7.798 ( 7.513 1.030 1.879) 7.813 7.867 ( 10.740 0.114 -5.245) 11.953 8.529 ( -1.407 6.217 11.022) 12.733 8.716 ( 2.363 3.990 -7.877) 9.140 9.994 ( -8.604 -7.542 7.496) 13.678 10.079 ( -3.868 -7.475 -1.654) 8.577 10.512 ( 1.078 3.979 5.077) 6.540 10.631 ( 0.286 2.282 -6.915) 7.287 10.956 ( 2.342 -3.500 2.288) 4.792 11.055 ( 3.190 -4.920 -4.345) 7.298 11.341 ( -3.134 11.596 10.193) 15.754 11.618 ( -3.515 4.824 -14.200) 15.404 11.853 ( -1.120 3.999 6.497) 7.710 12.007 ( -0.725 1.978 -8.356) 8.617 13.137 ( 1.382 10.081 5.163) 11.410 13.223 ( 0.527 10.787 -3.786) 11.444 14.113 ( -8.622 -2.536 10.211) 13.603 14.185 ( -7.843 -0.530 5.989) 9.882 14.316 ( -3.815 -1.351 -2.296) 4.653 14.370 ( -2.266 -0.270 -3.641) 4.297 14.444 ( -0.123 -2.290 4.214) 4.798 14.630 ( -3.812 -4.206 -10.486) 11.924 14.702 ( 0.065 -2.922 0.495) 2.964 14.736 ( -0.063 -1.166 -3.928) 4.097 15.448 ( -7.697 -0.105 6.122) 9.835 15.501 ( -6.249 -0.709 0.722) 6.331 18.322 ( 5.484 -5.244 9.185) 11.914 18.354 ( 3.738 -5.571 15.527) 16.915 18.540 ( 1.799 -1.730 -10.277) 10.575 18.673 ( 0.702 -4.223 -14.123) 14.758 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -7.648 13.724 -1.868) 15.822 1.698 ( -7.285 13.418 -4.516) 15.922 2.070 ( 1.506 1.072 4.251) 4.635 2.159 ( -3.062 2.183 -2.186) 4.350 2.451 ( 6.403 -0.961 1.862) 6.737 2.569 ( 8.824 -2.250 -6.526) 11.204 2.606 ( 6.634 -2.918 12.888) 14.786 2.783 ( 1.665 -7.083 0.562) 7.297 2.947 ( 2.871 1.469 -3.306) 4.618 3.007 ( -0.004 -7.807 -7.431) 10.778 3.283 ( -1.866 4.797 4.061) 6.557 3.373 ( -0.592 2.922 -4.851) 5.694 3.675 ( -7.886 0.517 7.382) 10.814 3.800 ( -7.589 -5.530 -3.764) 10.117 3.933 ( -2.976 1.522 4.531) 5.631 4.050 ( -8.888 6.311 -8.645) 13.912 4.237 ( -0.940 2.288 19.318) 19.475 4.557 ( -1.775 -4.458 -11.733) 12.676 4.725 ( -2.738 -5.811 9.249) 11.261 4.902 ( -3.752 -4.873 -9.032) 10.927 5.201 ( 9.468 4.926 4.131) 11.445 5.342 ( 0.929 6.285 -2.878) 6.975 5.505 ( 10.520 -2.812 -6.400) 12.631 5.555 ( 4.174 -1.366 -4.743) 6.464 5.983 ( 4.031 6.452 1.118) 7.690 5.998 ( 2.874 3.273 -0.199) 4.360 6.355 ( -0.858 -0.615 0.040) 1.056 6.386 ( 0.071 -3.759 -3.084) 4.863 7.170 ( 10.523 4.576 10.090) 15.280 7.361 ( 7.094 1.404 -9.298) 11.779 8.012 ( 12.532 1.111 6.742) 14.273 8.185 ( 18.422 -0.984 -10.862) 21.408 8.518 ( 0.835 4.331 12.461) 13.218 8.742 ( -0.273 2.876 -9.831) 10.247 9.727 ( -16.376 -6.115 12.516) 21.500 9.921 ( -11.470 -7.087 -6.942) 15.165 10.544 ( 1.890 5.562 3.797) 6.995 10.639 ( 0.297 5.399 -5.978) 8.061 11.044 ( 6.106 -2.767 3.629) 7.623 11.161 ( 6.273 -2.563 -5.770) 8.900 11.275 ( -2.413 7.847 9.849) 12.822 11.531 ( -4.175 1.977 -11.732) 12.609 11.821 ( -1.913 2.006 7.029) 7.556 11.980 ( -1.991 -0.838 -8.135) 8.417 13.158 ( 0.135 10.614 3.384) 11.141 13.225 ( -0.566 9.927 -3.393) 10.506 13.931 ( -7.965 -0.577 9.697) 12.562 14.020 ( -6.845 0.873 4.686) 8.341 14.157 ( -9.531 0.563 -7.666) 12.244 14.216 ( -10.153 2.714 -9.853) 14.406 14.485 ( 2.456 -7.146 4.761) 8.931 14.585 ( -0.532 -7.318 -5.264) 9.030 14.692 ( -0.784 -1.578 1.549) 2.346 14.731 ( -0.307 -0.937 -2.532) 2.718 15.274 ( -8.119 -1.393 5.582) 9.951 15.334 ( -8.664 -1.874 -0.567) 8.883 18.442 ( 5.176 -4.227 6.991) 9.671 18.450 ( 4.926 -4.193 11.499) 13.194 18.577 ( 1.353 -1.973 -7.277) 7.660 18.685 ( 0.255 -3.989 -10.520) 11.254 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.38 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -7.603 20.768 -2.102) 22.216 1.521 ( -8.344 20.686 -4.805) 22.818 2.068 ( -0.737 1.745 -1.511) 2.423 2.098 ( -2.300 2.556 -3.594) 4.974 2.604 ( 6.744 1.832 10.192) 12.358 2.708 ( 4.301 -4.783 7.661) 10.004 2.776 ( 3.072 -4.913 3.061) 6.554 2.826 ( 7.166 -6.104 -2.356) 9.704 2.993 ( 2.934 -2.257 -3.607) 5.168 3.057 ( 3.012 -1.061 -8.526) 9.104 3.207 ( -3.901 4.151 4.837) 7.473 3.305 ( -5.046 1.628 -4.769) 7.132 3.582 ( -1.918 -3.535 2.521) 4.747 3.669 ( -4.490 -4.337 -4.128) 7.484 3.808 ( -7.357 -0.736 1.291) 7.505 3.856 ( -8.648 2.977 -5.067) 10.456 4.328 ( 7.734 -1.643 12.628) 14.899 4.550 ( -0.049 -9.685 -9.110) 13.297 4.694 ( -0.062 -3.128 4.014) 5.089 4.809 ( -4.832 -1.323 -7.711) 9.195 5.306 ( 1.583 12.717 -0.549) 12.827 5.331 ( -1.248 15.631 -2.432) 15.869 5.687 ( 6.810 -7.762 1.404) 10.421 5.706 ( 7.189 -6.329 -0.656) 9.600 6.065 ( 3.662 2.322 2.208) 4.865 6.068 ( 4.002 5.645 2.175) 7.253 6.323 ( -1.886 -1.783 1.796) 3.156 6.367 ( -2.292 -4.883 -2.666) 6.017 7.370 ( 7.928 9.040 5.877) 13.383 7.481 ( 3.426 8.316 -5.232) 10.405 8.306 ( 13.927 -1.887 11.810) 18.358 8.532 ( 8.899 1.037 -6.335) 10.973 8.604 ( 6.732 -1.078 1.058) 6.900 8.756 ( 8.046 0.988 -9.269) 12.314 9.337 ( -19.502 -3.853 15.124) 24.979 9.606 ( -17.866 -5.575 -11.676) 22.059 10.587 ( 1.999 8.913 2.092) 9.371 10.639 ( -0.355 9.033 -3.197) 9.589 11.184 ( 5.451 -0.755 2.348) 5.983 11.268 ( 4.263 2.578 9.931) 11.110 11.274 ( 1.757 -1.107 -5.630) 6.001 11.466 ( -1.796 0.511 -8.949) 9.142 11.781 ( -1.151 -3.214 6.863) 7.665 11.915 ( -4.221 -4.333 -6.240) 8.691 13.143 ( -0.934 11.118 0.528) 11.169 13.194 ( -2.341 10.023 -4.147) 11.096 13.806 ( -3.362 0.677 4.691) 5.811 13.915 ( -4.191 0.195 -2.334) 4.801 13.966 ( -6.897 1.614 -4.051) 8.160 14.023 ( -6.874 1.973 -6.352) 9.565 14.535 ( 2.316 -7.847 2.383) 8.522 14.587 ( 0.224 -7.706 -2.833) 8.213 14.685 ( 0.370 0.046 1.934) 1.970 14.724 ( -0.352 0.080 -2.039) 2.071 15.126 ( -5.422 -3.033 3.494) 7.128 15.166 ( -6.791 -3.096 -0.490) 7.480 18.527 ( 2.911 -3.020 2.455) 4.860 18.549 ( 4.337 -3.602 7.553) 9.425 18.590 ( -0.119 -1.973 -3.697) 4.193 18.676 ( -1.281 -3.628 -5.127) 6.410 ======================= Grid point 265 (90/100) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -0.801 24.044 -3.402) 24.296 1.412 ( 0.801 24.044 -3.402) 24.296 2.066 ( -0.731 3.109 -3.513) 4.748 2.066 ( 0.731 3.109 -3.513) 4.748 2.706 ( -3.099 -0.717 10.212) 10.696 2.706 ( 3.099 -0.717 10.212) 10.696 2.857 ( -4.048 -3.578 -1.005) 5.495 2.857 ( 4.048 -3.578 -1.005) 5.495 3.120 ( -1.947 4.261 -1.482) 4.914 3.120 ( 1.947 4.261 -1.482) 4.914 3.166 ( -5.678 -6.868 -2.898) 9.370 3.166 ( 5.678 -6.868 -2.898) 9.370 3.589 ( -3.018 -3.140 -3.013) 5.296 3.589 ( 3.018 -3.140 -3.013) 5.296 3.734 ( -1.811 -1.549 -0.103) 2.386 3.734 ( 1.811 -1.549 -0.103) 2.386 4.491 ( -6.246 -10.544 -0.888) 12.287 4.491 ( 6.246 -10.544 -0.888) 12.287 4.722 ( -2.825 3.489 -1.721) 4.808 4.722 ( 2.825 3.489 -1.721) 4.808 5.316 ( -0.184 17.152 -1.516) 17.220 5.316 ( 0.184 17.152 -1.516) 17.219 5.775 ( -0.816 -9.335 1.706) 9.525 5.775 ( 0.816 -9.335 1.706) 9.525 6.123 ( -0.293 5.113 2.864) 5.868 6.123 ( 0.293 5.113 2.864) 5.868 6.309 ( -1.715 -4.589 0.167) 4.901 6.309 ( 1.715 -4.589 0.167) 4.901 7.487 ( -2.849 10.958 0.721) 11.345 7.487 ( 2.849 10.958 0.721) 11.345 8.516 ( -6.329 -2.062 -0.257) 6.661 8.516 ( 6.329 -2.062 -0.257) 6.661 8.846 ( -15.203 -0.710 9.748) 18.073 8.846 ( 15.203 -0.710 9.748) 18.073 9.208 ( -17.295 -3.615 -10.393) 20.499 9.208 ( 17.295 -3.615 -10.393) 20.499 10.622 ( -1.270 10.885 -0.061) 10.959 10.622 ( 1.270 10.885 -0.061) 10.959 11.256 ( -2.546 -1.490 -0.370) 2.973 11.256 ( 2.546 -1.490 -0.370) 2.973 11.399 ( -5.764 2.091 1.269) 6.261 11.399 ( 5.764 2.091 1.269) 6.261 11.815 ( -4.330 -6.807 -1.029) 8.133 11.815 ( 4.330 -6.807 -1.029) 8.133 13.146 ( -1.527 10.891 -3.096) 11.425 13.146 ( 1.527 10.891 -3.096) 11.425 13.806 ( -3.426 0.473 -2.672) 4.370 13.806 ( 3.426 0.473 -2.672) 4.370 13.935 ( -1.761 1.615 -1.828) 3.009 13.935 ( 1.761 1.615 -1.828) 3.009 14.577 ( -1.355 -7.882 -0.086) 7.998 14.577 ( 1.355 -7.882 -0.086) 7.998 14.707 ( -1.330 1.057 -0.093) 1.701 14.707 ( 1.330 1.057 -0.093) 1.701 15.075 ( -1.116 -3.930 0.970) 4.199 15.075 ( 1.116 -3.930 0.970) 4.199 18.571 ( -1.396 -2.281 -0.517) 2.724 18.571 ( 1.396 -2.281 -0.517) 2.724 18.630 ( -3.035 -3.409 1.199) 4.719 18.630 ( 3.035 -3.409 1.199) 4.719 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 0.000 6.874 1.688) 7.078 1.950 ( 0.000 5.138 13.045) 14.021 1.991 ( 0.000 5.851 -2.919) 6.538 2.203 ( 0.000 -0.878 -10.654) 10.690 2.317 ( 0.000 -2.312 12.990) 13.194 2.365 ( 0.000 3.667 11.805) 12.361 2.578 ( 0.000 -4.248 -10.838) 11.641 2.634 ( 0.000 5.223 -15.045) 15.925 2.799 ( 0.000 -3.971 -1.517) 4.251 2.866 ( 0.000 -9.114 -5.543) 10.667 3.128 ( 0.000 -10.081 3.138) 10.558 3.252 ( 0.000 -7.459 -7.602) 10.651 3.996 ( 0.000 8.579 9.425) 12.745 4.023 ( 0.000 2.980 1.398) 3.292 4.153 ( 0.000 4.073 5.764) 7.058 4.322 ( 0.000 -0.102 -5.770) 5.771 4.683 ( 0.000 4.604 0.803) 4.673 4.684 ( 0.000 0.115 2.732) 2.735 4.742 ( 0.000 10.614 22.872) 25.214 4.761 ( 0.000 -2.843 7.854) 8.352 4.943 ( 0.000 -3.146 -8.310) 8.886 5.196 ( 0.000 -6.158 14.277) 15.548 5.305 ( 0.000 5.607 -28.906) 29.445 5.509 ( 0.000 -2.871 -16.325) 16.576 5.929 ( 0.000 1.952 -1.273) 2.330 6.002 ( 0.000 0.120 -8.949) 8.949 6.416 ( 0.000 5.494 -0.716) 5.541 6.418 ( 0.000 4.574 -0.653) 4.620 6.819 ( 0.000 -3.074 9.491) 9.976 6.975 ( 0.000 -9.839 -6.249) 11.656 7.727 ( 0.000 0.748 -0.200) 0.775 7.755 ( 0.000 -0.284 -3.152) 3.165 8.708 ( 0.000 8.199 7.140) 10.872 8.794 ( 0.000 5.216 -1.253) 5.364 9.912 ( 0.000 -8.069 3.744) 8.895 9.940 ( 0.000 -8.271 0.405) 8.281 10.601 ( 0.000 6.125 1.619) 6.335 10.664 ( 0.000 2.653 -4.474) 5.201 10.844 ( 0.000 -4.863 -0.258) 4.870 10.895 ( 0.000 -6.824 -4.038) 7.929 11.658 ( 0.000 13.953 5.948) 15.168 11.800 ( 0.000 6.977 -8.081) 10.676 11.944 ( 0.000 2.374 4.446) 5.040 12.041 ( 0.000 -1.429 -5.046) 5.245 13.394 ( 0.000 15.941 6.166) 17.092 13.506 ( 0.000 15.593 -5.284) 16.463 14.109 ( 0.000 -10.608 6.045) 12.210 14.145 ( 0.000 -6.945 2.881) 7.519 14.302 ( 0.000 -0.779 10.113) 10.143 14.314 ( 0.000 -0.298 5.544) 5.552 14.541 ( 0.000 2.403 -2.551) 3.504 14.610 ( 0.000 -4.296 -0.932) 4.396 14.669 ( 0.000 -3.146 -6.481) 7.204 14.671 ( 0.000 -1.381 -12.788) 12.862 15.556 ( 0.000 0.336 3.919) 3.933 15.563 ( 0.000 0.021 3.441) 3.441 18.131 ( 0.000 -5.379 13.831) 14.840 18.166 ( 0.000 -6.799 15.216) 16.665 18.486 ( 0.000 -1.171 -12.331) 12.387 18.564 ( 0.000 -4.918 -15.091) 15.872 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.12 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 1.423 8.887 1.543) 9.131 1.988 ( 0.716 9.598 0.756) 9.654 2.035 ( 4.848 3.305 7.656) 9.646 2.266 ( 2.323 -5.656 6.445) 8.884 2.279 ( 0.606 4.984 -5.767) 7.647 2.444 ( 5.047 -0.706 11.433) 12.517 2.524 ( -2.897 -0.247 -12.439) 12.774 2.624 ( -1.496 -4.544 -5.815) 7.530 2.842 ( -1.057 -8.202 -2.763) 8.719 2.869 ( 5.374 -0.570 -5.584) 7.771 3.171 ( 3.876 -9.041 2.698) 10.200 3.301 ( 3.248 -7.154 -8.281) 11.415 3.926 ( -6.681 5.784 4.471) 9.904 3.980 ( -6.382 6.243 -1.732) 9.094 4.083 ( -1.958 6.861 13.177) 14.985 4.273 ( -3.754 1.027 -3.120) 4.988 4.487 ( -10.639 7.410 8.910) 15.731 4.605 ( -8.094 -2.225 -3.048) 8.930 4.720 ( -2.524 -2.400 5.721) 6.698 4.876 ( -2.635 -4.644 -5.526) 7.684 5.002 ( 12.001 4.102 9.760) 16.004 5.235 ( 4.663 -4.848 12.887) 14.537 5.374 ( 5.200 4.818 -23.715) 24.752 5.504 ( 0.856 -1.043 -13.964) 14.029 5.960 ( 1.946 -0.483 -1.140) 2.307 6.006 ( 0.663 -1.276 -5.822) 5.997 6.394 ( -0.886 4.701 1.653) 5.062 6.430 ( -0.181 5.056 -2.034) 5.453 6.952 ( 11.899 -0.729 7.669) 14.175 7.095 ( 10.592 -6.950 -6.854) 14.404 7.823 ( 8.501 1.352 0.425) 8.618 7.865 ( 10.078 -0.419 -3.919) 10.821 8.689 ( -1.604 8.728 9.096) 12.708 8.811 ( 0.999 4.254 -2.900) 5.245 9.827 ( -7.723 -7.320 5.662) 12.054 9.899 ( -4.448 -9.177 -1.693) 10.338 10.616 ( 1.664 5.979 2.581) 6.721 10.697 ( 2.863 4.224 -5.310) 7.365 10.864 ( 2.320 -5.279 1.017) 5.855 10.941 ( 4.347 -6.261 -5.953) 9.671 11.607 ( -4.494 13.729 6.436) 15.815 11.747 ( -4.762 7.043 -7.064) 11.054 11.916 ( -2.569 1.322 3.869) 4.829 12.009 ( -2.935 -2.662 -4.722) 6.164 13.415 ( 1.776 16.243 5.262) 17.166 13.509 ( 0.133 15.823 -4.386) 16.420 14.051 ( -4.994 -4.533 8.391) 10.766 14.123 ( -2.756 -6.422 0.959) 7.054 14.268 ( -2.965 -2.318 9.517) 10.234 14.305 ( -0.713 -4.271 3.645) 5.660 14.451 ( -7.154 1.769 -6.777) 10.012 14.552 ( -7.540 -3.359 -11.121) 13.850 14.638 ( 0.752 -2.536 -0.391) 2.674 14.685 ( -0.143 -3.354 -5.118) 6.120 15.449 ( -8.539 0.273 5.096) 9.948 15.482 ( -7.545 -1.080 1.699) 7.809 18.207 ( 6.301 -5.077 12.198) 14.638 18.227 ( 5.223 -5.889 14.622) 16.607 18.504 ( 1.472 -1.359 -11.375) 11.550 18.574 ( 0.895 -4.781 -13.892) 14.719 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.356 13.272 0.389) 13.282 1.989 ( -0.886 15.962 1.456) 16.053 2.113 ( 1.994 4.020 2.803) 5.291 2.233 ( -2.765 4.040 -0.303) 4.905 2.380 ( 6.824 -5.604 1.487) 8.955 2.525 ( 4.020 -2.459 -8.570) 9.781 2.543 ( 3.999 -4.539 7.510) 9.643 2.602 ( 0.100 -8.927 1.924) 9.132 2.845 ( 1.598 -4.403 1.109) 4.814 2.986 ( 4.451 -0.582 -7.646) 8.866 3.259 ( 3.493 -7.681 -0.792) 8.475 3.332 ( -1.058 -6.194 -5.962) 8.662 3.733 ( -11.036 6.682 3.848) 13.463 3.788 ( -9.274 4.429 -1.831) 10.439 4.036 ( -8.146 6.280 7.034) 12.461 4.167 ( -9.803 3.412 -5.303) 11.656 4.288 ( -2.584 3.424 10.562) 11.399 4.460 ( -2.558 -3.676 -5.937) 7.437 4.669 ( -0.440 0.051 6.196) 6.212 4.825 ( -1.304 -4.047 -9.327) 10.250 5.258 ( 11.290 1.761 7.351) 13.587 5.379 ( 7.667 -2.728 8.719) 11.927 5.487 ( 5.198 1.801 -14.477) 15.487 5.552 ( 2.807 0.479 -8.773) 9.224 5.993 ( 1.940 -2.158 1.759) 3.393 6.043 ( 2.710 -2.513 -3.066) 4.802 6.372 ( -1.557 3.608 2.410) 4.610 6.406 ( -2.151 4.191 -0.814) 4.781 7.267 ( 16.531 4.451 5.201) 17.892 7.373 ( 14.843 -0.531 -5.473) 15.829 8.045 ( 11.469 2.071 2.966) 12.026 8.149 ( 15.906 -2.439 -7.589) 17.791 8.648 ( -1.964 7.881 10.960) 13.642 8.809 ( -1.571 2.658 -4.556) 5.504 9.593 ( -14.109 -5.412 8.383) 17.281 9.741 ( -10.698 -9.765 -5.862) 15.626 10.681 ( 4.553 7.457 3.095) 9.269 10.772 ( 4.068 7.407 -6.174) 10.465 10.960 ( 6.910 -5.481 3.166) 9.371 11.070 ( 7.534 -6.164 -7.898) 12.535 11.489 ( -6.126 12.421 6.872) 15.460 11.619 ( -6.865 6.335 -5.533) 10.857 11.836 ( -5.158 -1.201 3.630) 6.421 11.921 ( -5.350 -5.546 -3.917) 8.645 13.451 ( 1.052 17.291 2.776) 17.544 13.500 ( -1.135 16.001 -2.339) 16.211 13.926 ( -6.156 -0.389 7.437) 9.663 14.029 ( -5.319 -0.856 -0.273) 5.394 14.160 ( -7.873 -1.614 0.599) 8.059 14.263 ( -10.147 1.660 -9.011) 13.672 14.297 ( -0.056 -10.016 3.532) 10.621 14.409 ( -3.929 -9.156 -7.881) 12.704 14.653 ( 0.953 -1.681 1.104) 2.226 14.689 ( 0.778 -2.702 -2.414) 3.706 15.247 ( -9.852 -0.961 4.604) 10.917 15.287 ( -10.006 -2.486 0.423) 10.319 18.348 ( 6.346 -4.174 9.938) 12.508 18.355 ( 6.161 -4.405 10.731) 13.134 18.536 ( 1.259 -1.612 -8.535) 8.776 18.593 ( 0.639 -4.421 -10.453) 11.367 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.38 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -2.399 20.087 3.739) 20.573 1.965 ( -2.599 21.601 -0.566) 21.765 2.148 ( 1.546 6.819 -2.089) 7.297 2.181 ( -1.092 5.620 -3.861) 6.906 2.567 ( 6.039 -8.644 7.665) 13.036 2.601 ( 4.377 -10.819 3.147) 12.088 2.628 ( 4.046 -3.702 7.273) 9.109 2.681 ( 8.086 -7.085 -0.165) 10.752 2.910 ( 4.683 -3.095 -3.987) 6.885 3.023 ( -1.149 -1.915 -7.092) 7.435 3.255 ( -5.616 -4.085 0.391) 6.955 3.284 ( -1.813 -4.354 -4.207) 6.320 3.536 ( -5.802 2.925 1.444) 6.656 3.622 ( -6.151 0.930 -6.313) 8.863 3.771 ( -12.730 -2.697 4.187) 13.670 3.877 ( -14.016 -2.713 -7.189) 15.984 4.371 ( 5.837 7.811 5.597) 11.243 4.470 ( 1.398 3.581 -4.456) 5.886 4.718 ( 4.101 1.814 4.098) 6.074 4.818 ( -0.048 -0.990 -6.185) 6.264 5.455 ( 6.991 1.920 3.138) 7.899 5.518 ( 5.013 -1.700 3.946) 6.603 5.568 ( 1.876 0.417 -7.217) 7.468 5.599 ( 1.626 -2.065 -2.877) 3.897 6.068 ( 5.292 -1.128 3.996) 6.726 6.118 ( 4.459 -1.726 -0.661) 4.827 6.316 ( -3.910 1.408 2.547) 4.875 6.337 ( -4.444 2.346 0.840) 5.095 7.588 ( 12.939 11.107 4.684) 17.684 7.675 ( 11.946 9.209 -3.833) 15.563 8.254 ( 7.355 -2.375 9.370) 12.146 8.448 ( 7.672 -7.980 -9.607) 14.658 8.660 ( 5.232 5.278 6.660) 9.979 8.789 ( 3.769 1.332 -5.119) 6.494 9.260 ( -16.592 -2.282 9.054) 19.039 9.456 ( -15.919 -8.612 -9.469) 20.427 10.799 ( 6.112 10.916 1.879) 12.651 10.860 ( 3.881 11.689 -4.149) 12.997 11.135 ( 8.582 -4.587 2.630) 10.080 11.226 ( 5.608 -4.431 -6.671) 9.776 11.377 ( -3.316 8.145 6.112) 10.710 11.488 ( -4.442 2.933 -4.917) 7.246 11.702 ( -6.973 -4.733 4.809) 9.703 11.789 ( -7.073 -8.052 -3.537) 11.286 13.442 ( -1.299 17.286 -0.082) 17.334 13.470 ( -1.680 16.296 -2.447) 16.564 13.818 ( -3.355 0.004 2.821) 4.384 13.921 ( -5.801 -0.276 -6.410) 8.650 13.999 ( -4.750 1.746 0.395) 5.076 14.063 ( -7.166 1.869 -5.805) 9.410 14.317 ( 1.530 -13.002 2.217) 13.278 14.370 ( -0.845 -13.145 -3.231) 13.563 14.691 ( 2.807 0.729 1.469) 3.251 14.722 ( 2.316 -0.165 -1.597) 2.818 15.056 ( -7.730 -3.172 3.082) 8.905 15.088 ( -8.411 -4.036 -0.147) 9.330 18.460 ( 4.029 -3.049 4.368) 6.679 18.469 ( 4.720 -3.616 7.115) 9.273 18.547 ( -0.262 -1.745 -4.414) 4.753 18.592 ( -0.902 -3.983 -5.187) 6.602 ======================= Grid point 274 (95/100) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -0.908 23.774 1.627) 23.847 1.919 ( 0.908 23.774 1.627) 23.847 2.171 ( -0.569 7.408 -3.085) 8.045 2.171 ( 0.569 7.408 -3.085) 8.045 2.613 ( -1.002 -8.431 8.632) 12.107 2.613 ( 1.002 -8.431 8.632) 12.107 2.786 ( -1.927 -7.939 2.304) 8.488 2.786 ( 1.927 -7.939 2.304) 8.488 2.983 ( -1.174 -3.074 -4.714) 5.748 2.983 ( 1.174 -3.074 -4.714) 5.748 3.199 ( -3.569 -1.889 -1.788) 4.416 3.199 ( 3.569 -1.889 -1.788) 4.416 3.512 ( -3.303 -1.408 -3.677) 5.140 3.512 ( 3.303 -1.408 -3.677) 5.140 3.669 ( -3.999 -4.832 -4.088) 7.487 3.669 ( 3.999 -4.832 -4.088) 7.487 4.465 ( -2.408 7.875 -0.401) 8.245 4.465 ( 2.408 7.875 -0.401) 8.245 4.795 ( -2.488 0.887 -0.473) 2.683 4.795 ( 2.488 0.887 -0.473) 2.683 5.549 ( -2.095 4.971 -1.043) 5.494 5.549 ( 2.095 4.971 -1.043) 5.494 5.603 ( -1.516 -6.012 0.259) 6.206 5.603 ( 1.516 -6.012 0.259) 6.206 6.195 ( -4.565 1.783 3.730) 6.158 6.195 ( 4.565 1.783 3.730) 6.158 6.234 ( -3.466 -1.665 0.857) 3.939 6.234 ( 3.466 -1.665 0.857) 3.939 7.775 ( -3.367 16.571 1.690) 16.994 7.775 ( 3.367 16.571 1.690) 16.994 8.395 ( -7.292 -10.363 3.224) 13.075 8.395 ( 7.292 -10.363 3.224) 13.075 8.873 ( -11.473 3.762 2.722) 12.377 8.873 ( 11.473 3.762 2.722) 12.377 9.108 ( -14.226 -5.968 -7.179) 17.016 9.108 ( 14.226 -5.968 -7.179) 17.016 10.895 ( -1.703 14.619 -0.668) 14.733 10.895 ( 1.703 14.619 -0.668) 14.733 11.245 ( -2.124 -0.610 -1.048) 2.446 11.245 ( 2.124 -0.610 -1.048) 2.446 11.417 ( -5.366 0.343 1.276) 5.526 11.417 ( 5.366 0.343 1.276) 5.526 11.647 ( -4.472 -9.094 -0.831) 10.168 11.647 ( 4.472 -9.094 -0.831) 10.168 13.435 ( -0.997 16.545 -2.520) 16.765 13.435 ( 0.997 16.545 -2.520) 16.765 13.811 ( -2.944 -0.490 -3.396) 4.521 13.811 ( 2.944 -0.490 -3.396) 4.521 13.976 ( -1.516 2.562 -1.472) 3.321 13.976 ( 1.516 2.562 -1.472) 3.321 14.350 ( -1.310 -13.952 -0.220) 14.015 14.350 ( 1.310 -13.952 -0.220) 14.015 14.750 ( -1.252 3.358 0.259) 3.593 14.750 ( 1.252 3.358 0.259) 3.593 14.970 ( -1.225 -6.156 0.766) 6.323 14.970 ( 1.225 -6.156 0.766) 6.323 18.521 ( -1.882 -2.124 0.109) 2.840 18.521 ( 1.882 -2.124 0.109) 2.840 18.552 ( -2.807 -3.643 0.861) 4.679 18.552 ( 2.807 -3.643 0.861) 4.679 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 0.000 -0.033 7.492) 7.492 2.039 ( 0.000 0.033 7.492) 7.492 2.087 ( 0.000 -5.784 3.071) 6.548 2.087 ( 0.000 5.784 3.071) 6.548 2.387 ( 0.000 -3.655 5.441) 6.554 2.387 ( 0.000 3.655 5.441) 6.554 2.581 ( 0.000 -6.160 -14.993) 16.210 2.581 ( 0.000 6.160 -14.993) 16.210 2.775 ( 0.000 -2.041 -1.924) 2.805 2.775 ( 0.000 2.041 -1.924) 2.805 3.070 ( 0.000 -6.637 -5.188) 8.424 3.070 ( 0.000 6.637 -5.188) 8.424 4.136 ( 0.000 -4.787 5.993) 7.670 4.136 ( 0.000 4.787 5.993) 7.670 4.209 ( 0.000 -9.429 -0.759) 9.459 4.209 ( 0.000 9.429 -0.759) 9.459 4.700 ( 0.000 -2.480 5.986) 6.480 4.700 ( 0.000 2.480 5.986) 6.480 4.811 ( 0.000 -6.061 -0.734) 6.105 4.811 ( 0.000 6.061 -0.734) 6.105 5.012 ( 0.000 -10.738 16.079) 19.335 5.012 ( 0.000 10.738 16.079) 19.335 5.428 ( 0.000 -5.292 -22.462) 23.077 5.428 ( 0.000 5.292 -22.462) 23.077 5.961 ( 0.000 -2.285 -6.180) 6.589 5.961 ( 0.000 2.285 -6.180) 6.589 6.497 ( 0.000 -0.373 -0.665) 0.762 6.497 ( 0.000 0.373 -0.665) 0.762 6.812 ( 0.000 -4.360 1.878) 4.747 6.812 ( 0.000 4.360 1.878) 4.747 7.743 ( 0.000 -0.783 -1.846) 2.006 7.743 ( 0.000 0.783 -1.846) 2.006 8.831 ( 0.000 -2.528 4.134) 4.846 8.831 ( 0.000 2.528 4.134) 4.846 9.831 ( 0.000 -1.117 1.365) 1.764 9.831 ( 0.000 1.117 1.365) 1.764 10.716 ( 0.000 -1.115 -0.643) 1.287 10.716 ( 0.000 1.115 -0.643) 1.287 10.771 ( 0.000 -1.712 -3.704) 4.081 10.771 ( 0.000 1.712 -3.704) 4.081 11.876 ( 0.000 -3.666 -0.923) 3.781 11.876 ( 0.000 3.666 -0.923) 3.781 11.963 ( 0.000 -2.562 0.431) 2.598 11.963 ( 0.000 2.562 0.431) 2.598 13.669 ( 0.000 -6.287 1.545) 6.474 13.669 ( 0.000 6.287 1.545) 6.474 13.991 ( 0.000 -4.519 2.602) 5.215 13.991 ( 0.000 4.519 2.602) 5.215 14.302 ( 0.000 -0.650 9.791) 9.813 14.302 ( 0.000 0.650 9.791) 9.813 14.561 ( 0.000 -0.404 -3.196) 3.221 14.561 ( 0.000 0.404 -3.196) 3.221 14.644 ( 0.000 -0.867 -9.790) 9.829 14.644 ( 0.000 0.867 -9.790) 9.829 15.562 ( 0.000 -0.168 3.654) 3.658 15.562 ( 0.000 0.168 3.654) 3.658 18.080 ( 0.000 -0.986 15.117) 15.149 18.080 ( 0.000 0.986 15.117) 15.149 18.491 ( 0.000 -1.935 -14.021) 14.154 18.491 ( 0.000 1.935 -14.021) 14.154 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 4.349 -1.368 7.285) 8.594 2.091 ( 4.349 1.368 7.285) 8.594 2.131 ( 3.365 -5.826 5.631) 8.774 2.131 ( 3.365 5.826 5.631) 8.774 2.387 ( -0.153 -5.335 -0.345) 5.348 2.387 ( -0.153 5.335 -0.345) 5.348 2.542 ( -3.357 -4.218 -14.197) 15.186 2.542 ( -3.357 4.218 -14.197) 15.186 2.801 ( 3.249 -4.466 3.679) 6.636 2.801 ( 3.249 4.466 3.679) 6.636 3.132 ( 4.403 -6.289 -7.269) 10.573 3.132 ( 4.403 6.289 -7.269) 10.573 4.053 ( -7.945 -3.274 2.138) 8.855 4.053 ( -7.945 3.274 2.138) 8.855 4.210 ( 1.341 -6.472 3.706) 7.578 4.210 ( 1.341 6.472 3.706) 7.578 4.571 ( -11.993 -1.438 7.066) 13.993 4.571 ( -11.993 1.438 7.066) 13.993 4.756 ( -3.173 -6.085 -5.586) 8.849 4.756 ( -3.173 6.085 -5.586) 8.849 5.117 ( 8.504 -6.464 14.262) 17.819 5.117 ( 8.504 6.464 14.262) 17.819 5.464 ( 3.022 -3.352 -19.133) 19.658 5.464 ( 3.022 3.352 -19.133) 19.658 5.956 ( -0.056 -1.550 -4.139) 4.420 5.956 ( -0.056 1.550 -4.139) 4.420 6.482 ( -1.146 -1.601 0.819) 2.133 6.482 ( -1.146 1.601 0.819) 2.133 6.975 ( 14.023 -3.888 -0.202) 14.554 6.975 ( 14.023 3.888 -0.202) 14.554 7.849 ( 9.403 -1.126 -1.779) 9.636 7.849 ( 9.403 1.126 -1.779) 9.636 8.828 ( -0.557 -3.552 4.489) 5.752 8.828 ( -0.557 3.552 4.489) 5.752 9.767 ( -6.079 -2.381 0.860) 6.585 9.767 ( -6.079 2.381 0.860) 6.585 10.738 ( 2.424 -5.263 1.407) 5.963 10.738 ( 2.424 5.263 1.407) 5.963 10.814 ( 3.891 -5.394 -5.792) 8.819 10.814 ( 3.891 5.394 -5.792) 8.819 11.832 ( -4.009 -4.184 -0.921) 5.868 11.832 ( -4.009 4.184 -0.921) 5.868 11.913 ( -4.591 -2.365 0.966) 5.254 11.913 ( -4.591 2.365 0.966) 5.254 13.695 ( 2.191 -5.580 1.565) 6.196 13.695 ( 2.191 5.580 1.565) 6.196 13.973 ( -1.822 -4.095 2.345) 5.059 13.973 ( -1.822 4.095 2.345) 5.059 14.251 ( -4.423 -0.780 8.540) 9.649 14.251 ( -4.423 0.780 8.540) 9.649 14.492 ( -7.211 -2.480 -8.951) 11.759 14.492 ( -7.211 2.480 -8.951) 11.759 14.629 ( -0.221 -1.588 -3.976) 4.287 14.629 ( -0.221 1.588 -3.976) 4.287 15.461 ( -8.625 -0.895 3.369) 9.303 15.461 ( -8.625 0.895 3.369) 9.303 18.156 ( 6.334 -0.570 13.997) 15.374 18.156 ( 6.334 0.570 13.997) 15.374 18.505 ( 1.180 -1.762 -12.942) 13.115 18.505 ( 1.180 1.762 -12.942) 13.115 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 1.977 -6.345 10.141) 12.124 2.176 ( 1.977 6.345 10.141) 12.124 2.223 ( 6.639 -2.385 4.226) 8.224 2.223 ( 6.639 2.385 4.226) 8.224 2.382 ( -0.666 -6.425 -4.279) 7.748 2.382 ( -0.666 6.425 -4.279) 7.748 2.487 ( -0.358 -1.553 -11.278) 11.390 2.487 ( -0.358 1.553 -11.278) 11.390 2.887 ( 3.728 -7.169 7.421) 10.971 2.887 ( 3.728 7.169 7.421) 10.971 3.205 ( 1.934 -3.966 -9.510) 10.484 3.205 ( 1.934 3.966 -9.510) 10.484 3.844 ( -11.133 -1.843 1.523) 11.387 3.844 ( -11.133 1.843 1.523) 11.387 4.136 ( -14.764 -4.593 2.212) 15.619 4.136 ( -14.764 4.593 2.212) 15.619 4.397 ( 3.073 -5.222 2.645) 6.611 4.397 ( 3.073 5.222 2.645) 6.611 4.720 ( 0.069 -5.182 -4.046) 6.574 4.720 ( 0.069 5.182 -4.046) 6.574 5.309 ( 8.798 -3.436 9.573) 13.448 5.309 ( 8.798 3.436 9.573) 13.448 5.536 ( 3.312 -2.266 -12.974) 13.581 5.536 ( 3.312 2.266 -12.974) 13.581 5.978 ( 2.516 -1.719 -0.813) 3.153 5.978 ( 2.516 1.719 -0.813) 3.153 6.444 ( -2.761 -1.402 1.962) 3.666 6.444 ( -2.761 1.402 1.962) 3.666 7.339 ( 19.430 -2.699 -0.492) 19.623 7.339 ( 19.430 2.699 -0.492) 19.623 8.094 ( 12.559 -2.758 -2.367) 13.074 8.094 ( 12.559 2.758 -2.367) 13.074 8.792 ( -2.911 -4.913 5.429) 7.879 8.792 ( -2.911 4.913 5.429) 7.879 9.579 ( -11.560 -4.646 -0.901) 12.491 9.579 ( -11.560 4.646 -0.901) 12.491 10.830 ( 6.406 -7.136 2.805) 9.991 10.830 ( 6.406 7.136 2.805) 9.991 10.927 ( 6.657 -7.670 -6.956) 12.310 10.927 ( 6.657 7.670 -6.956) 12.310 11.717 ( -6.806 -4.599 -0.655) 8.240 11.717 ( -6.806 4.599 -0.655) 8.240 11.783 ( -7.348 -0.830 1.630) 7.572 11.783 ( -7.348 0.830 1.630) 7.572 13.742 ( 1.574 -2.074 1.715) 3.118 13.742 ( 1.574 2.074 1.715) 3.118 13.907 ( -4.332 -4.984 1.017) 6.681 13.907 ( -4.332 4.984 1.017) 6.681 14.149 ( -4.437 -3.927 4.522) 7.454 14.149 ( -4.437 3.927 4.522) 7.454 14.293 ( -10.048 -2.190 -9.981) 14.331 14.293 ( -10.048 2.190 -9.981) 14.331 14.645 ( 1.801 -1.105 -0.938) 2.311 14.645 ( 1.801 1.105 -0.938) 2.311 15.247 ( -10.741 -1.151 2.487) 11.086 15.247 ( -10.741 1.151 2.487) 11.086 18.303 ( 6.874 -0.212 10.874) 12.866 18.303 ( 6.874 0.212 10.874) 12.866 18.531 ( 1.021 -1.417 -9.801) 9.955 18.531 ( 1.021 1.417 -9.801) 9.955 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 2.153 -6.116 4.768) 8.048 2.211 ( 2.153 6.116 4.768) 8.048 2.338 ( -1.803 -10.820 0.601) 10.986 2.338 ( -1.803 10.820 0.601) 10.986 2.389 ( 7.085 -9.100 4.185) 12.269 2.389 ( 7.085 9.100 4.185) 12.269 2.534 ( 2.999 -5.980 -4.730) 8.193 2.534 ( 2.999 5.980 -4.730) 8.193 2.949 ( 3.239 -5.699 4.303) 7.841 2.949 ( 3.239 5.699 4.303) 7.841 3.196 ( -3.126 -2.964 -9.636) 10.555 3.196 ( -3.126 2.964 -9.636) 10.555 3.627 ( -8.123 -3.740 0.809) 8.980 3.627 ( -8.123 3.740 0.809) 8.980 3.776 ( -15.700 -5.006 -3.625) 16.873 3.776 ( -15.700 5.006 -3.625) 16.873 4.546 ( 8.175 -3.947 1.727) 9.241 4.546 ( 8.175 3.947 1.727) 9.241 4.734 ( 0.117 -4.200 -1.965) 4.638 4.734 ( 0.117 4.200 -1.965) 4.638 5.468 ( 6.138 -1.725 4.462) 7.782 5.468 ( 6.138 1.725 4.462) 7.782 5.583 ( 0.803 -1.715 -6.849) 7.106 5.583 ( 0.803 1.715 -6.849) 7.106 6.070 ( 6.141 -1.631 1.748) 6.590 6.070 ( 6.141 1.631 1.748) 6.590 6.358 ( -5.490 -0.929 2.624) 6.155 6.358 ( -5.490 0.929 2.624) 6.155 7.754 ( 19.185 -3.241 1.696) 19.530 7.754 ( 19.185 3.241 1.696) 19.530 8.282 ( 1.460 -6.322 -0.683) 6.524 8.282 ( 1.460 6.322 -0.683) 6.524 8.764 ( 3.594 -3.995 2.995) 6.152 8.764 ( 3.594 3.995 2.995) 6.152 9.296 ( -14.793 -5.938 -3.030) 16.226 9.296 ( -14.793 5.938 -3.030) 16.226 10.996 ( 8.797 -7.889 2.077) 11.997 10.996 ( 8.797 7.889 2.077) 11.997 11.083 ( 7.430 -8.874 -5.583) 12.850 11.083 ( 7.430 8.874 -5.583) 12.850 11.557 ( -7.662 -5.465 0.970) 9.461 11.557 ( -7.662 5.465 0.970) 9.461 11.619 ( -7.988 -4.949 0.429) 9.407 11.619 ( -7.988 4.949 0.429) 9.407 13.734 ( -1.748 -6.474 1.016) 6.782 13.734 ( -1.748 6.474 1.016) 6.782 13.812 ( -4.581 -10.792 -3.884) 12.351 13.812 ( -4.581 10.792 -3.884) 12.351 14.079 ( -1.835 -6.334 0.345) 6.603 14.079 ( -1.835 6.334 0.345) 6.603 14.136 ( -4.274 -5.336 -3.850) 7.847 14.136 ( -4.274 5.336 -3.850) 7.847 14.712 ( 4.704 -0.989 -0.070) 4.807 14.712 ( 4.704 0.989 -0.070) 4.807 15.030 ( -9.725 -1.028 1.409) 9.880 15.030 ( -9.725 1.028 1.409) 9.880 18.427 ( 4.770 -0.192 6.091) 7.739 18.427 ( 4.770 0.192 6.091) 7.739 18.537 ( -0.536 -1.091 -4.981) 5.127 18.537 ( -0.536 1.091 -4.981) 5.127 ======================= Grid point 287 (100/100) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -3.247 -6.567 1.669) 7.513 2.274 ( 2.860 -6.521 1.669) 7.314 2.274 ( -2.860 6.521 1.669) 7.314 2.274 ( 3.247 6.567 1.669) 7.513 2.527 ( -4.322 -9.350 4.180) 11.116 2.527 ( 4.277 -9.345 4.180) 11.094 2.527 ( -4.277 9.345 4.180) 11.094 2.527 ( 4.322 9.350 4.180) 11.116 3.070 ( -6.096 -7.490 -4.500) 10.654 3.070 ( 0.666 -6.850 -4.500) 8.223 3.070 ( -0.666 6.850 -4.500) 8.223 3.070 ( 6.096 7.490 -4.500) 10.654 3.565 ( -3.266 -4.852 -3.668) 6.904 3.565 ( 2.954 -4.802 -3.668) 6.726 3.565 ( -2.954 4.802 -3.668) 6.726 3.565 ( 3.266 4.852 -3.668) 6.904 4.689 ( -2.355 -10.599 0.066) 10.858 4.689 ( 0.533 -10.537 0.066) 10.550 4.689 ( -0.533 10.537 0.066) 10.550 4.689 ( 2.355 10.599 0.066) 10.858 5.563 ( -2.684 -1.385 -1.023) 3.188 5.563 ( -0.635 -0.467 -1.023) 1.292 5.563 ( 0.635 0.467 -1.023) 1.292 5.563 ( 2.684 1.385 -1.023) 3.188 6.219 ( -7.384 -0.952 2.763) 7.941 6.219 ( -7.370 0.925 2.763) 7.925 6.219 ( 7.370 -0.925 2.763) 7.926 6.219 ( 7.384 0.952 2.763) 7.941 8.117 ( -9.421 -15.386 3.160) 18.316 8.117 ( -1.185 -14.659 3.160) 15.042 8.117 ( 1.185 14.659 3.160) 15.042 8.117 ( 9.421 15.386 3.160) 18.316 8.980 ( -13.728 -5.911 -2.775) 15.202 8.980 ( -7.176 -0.837 -2.775) 7.739 8.980 ( 7.176 0.837 -2.775) 7.739 8.980 ( 13.728 5.911 -2.775) 15.202 11.152 ( -3.164 -9.459 -1.218) 10.048 11.152 ( 2.808 -9.431 -1.218) 9.916 11.152 ( -2.808 9.431 -1.218) 9.916 11.152 ( 3.164 9.459 -1.218) 10.048 11.480 ( -2.710 -6.453 0.373) 7.009 11.480 ( 2.432 -6.425 0.373) 6.880 11.480 ( -2.432 6.425 0.373) 6.880 11.480 ( 2.710 6.453 0.373) 7.009 13.730 ( -2.028 -9.666 -3.102) 10.352 13.730 ( 1.947 -9.662 -3.102) 10.333 13.730 ( -1.947 9.662 -3.102) 10.333 13.730 ( 2.028 9.666 -3.102) 10.352 14.081 ( -0.970 -9.798 -0.730) 9.873 14.081 ( 0.816 -9.795 -0.730) 9.856 14.081 ( -0.816 9.795 -0.730) 9.856 14.081 ( 0.970 9.798 -0.730) 9.873 14.844 ( -4.982 -4.990 0.551) 7.073 14.844 ( -3.514 -4.667 0.551) 5.868 14.844 ( 3.514 4.667 0.551) 5.868 14.844 ( 4.982 4.990 0.551) 7.073 18.504 ( -2.582 -0.714 0.556) 2.736 18.504 ( -2.341 0.461 0.556) 2.450 18.504 ( 2.341 -0.461 0.556) 2.450 18.504 ( 2.582 0.714 0.556) 2.736 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 1824.076 2018.797 2781.653 0.000 0.000 -0.000 3/25920 20.0 203.753 204.833 243.696 0.000 0.000 0.000 3/25920 30.0 71.611 69.437 81.278 0.000 0.000 0.000 3/25920 40.0 38.314 36.322 42.535 0.000 0.000 0.000 3/25920 50.0 25.205 23.461 27.562 0.000 0.000 0.000 3/25920 60.0 18.607 17.064 20.112 0.000 0.000 0.000 3/25920 70.0 14.733 13.354 15.780 0.000 0.000 0.000 3/25920 80.0 12.211 10.970 12.982 0.000 0.000 0.000 3/25920 90.0 10.444 9.321 11.036 0.000 0.000 0.000 3/25920 100.0 9.138 8.117 9.606 0.000 0.000 0.000 3/25920 110.0 8.132 7.201 8.512 0.000 0.000 0.000 3/25920 120.0 7.333 6.480 7.647 0.000 0.000 0.000 3/25920 130.0 6.683 5.897 6.945 0.000 0.000 0.000 3/25920 140.0 6.141 5.416 6.365 0.000 0.000 0.000 3/25920 150.0 5.684 5.011 5.877 0.000 0.000 0.000 3/25920 160.0 5.292 4.666 5.460 0.000 0.000 0.000 3/25920 170.0 4.953 4.368 5.101 0.000 0.000 0.000 3/25920 180.0 4.655 4.107 4.787 0.000 0.000 0.000 3/25920 190.0 4.393 3.877 4.510 0.000 0.000 0.000 3/25920 200.0 4.159 3.672 4.265 0.000 0.000 0.000 3/25920 210.0 3.949 3.489 4.045 0.000 0.000 0.000 3/25920 220.0 3.760 3.323 3.848 0.000 0.000 0.000 3/25920 230.0 3.589 3.174 3.670 0.000 0.000 0.000 3/25920 240.0 3.433 3.037 3.508 0.000 0.000 0.000 3/25920 250.0 3.291 2.912 3.360 0.000 0.000 0.000 3/25920 260.0 3.160 2.797 3.224 0.000 0.000 0.000 3/25920 270.0 3.039 2.691 3.099 0.000 0.000 0.000 3/25920 280.0 2.927 2.593 2.983 0.000 0.000 0.000 3/25920 290.0 2.823 2.502 2.876 0.000 0.000 0.000 3/25920 300.0 2.727 2.417 2.777 0.000 0.000 0.000 3/25920 310.0 2.637 2.338 2.684 0.000 0.000 0.000 3/25920 320.0 2.553 2.264 2.598 0.000 0.000 0.000 3/25920 330.0 2.474 2.195 2.516 0.000 0.000 0.000 3/25920 340.0 2.400 2.130 2.440 0.000 0.000 0.000 3/25920 350.0 2.330 2.068 2.369 0.000 0.000 0.000 3/25920 360.0 2.265 2.010 2.301 0.000 0.000 0.000 3/25920 370.0 2.203 1.956 2.238 0.000 0.000 0.000 3/25920 380.0 2.144 1.904 2.178 0.000 0.000 0.000 3/25920 390.0 2.088 1.855 2.121 0.000 0.000 0.000 3/25920 400.0 2.035 1.808 2.067 0.000 0.000 0.000 3/25920 410.0 1.985 1.764 2.015 0.000 0.000 0.000 3/25920 420.0 1.937 1.721 1.966 0.000 0.000 0.000 3/25920 430.0 1.892 1.681 1.920 0.000 0.000 0.000 3/25920 440.0 1.849 1.643 1.876 0.000 0.000 0.000 3/25920 450.0 1.807 1.606 1.833 0.000 0.000 0.000 3/25920 460.0 1.768 1.571 1.793 0.000 0.000 0.000 3/25920 470.0 1.730 1.538 1.754 0.000 0.000 0.000 3/25920 480.0 1.693 1.505 1.717 0.000 0.000 0.000 3/25920 490.0 1.659 1.475 1.682 0.000 0.000 0.000 3/25920 500.0 1.625 1.445 1.648 0.000 0.000 0.000 3/25920 510.0 1.593 1.417 1.615 0.000 0.000 0.000 3/25920 520.0 1.562 1.389 1.584 0.000 0.000 0.000 3/25920 530.0 1.533 1.363 1.554 0.000 0.000 0.000 3/25920 540.0 1.504 1.338 1.525 0.000 0.000 0.000 3/25920 550.0 1.477 1.313 1.497 0.000 0.000 0.000 3/25920 560.0 1.450 1.290 1.470 0.000 0.000 0.000 3/25920 570.0 1.425 1.267 1.444 0.000 0.000 0.000 3/25920 580.0 1.400 1.245 1.419 0.000 0.000 0.000 3/25920 590.0 1.376 1.224 1.394 0.000 0.000 0.000 3/25920 600.0 1.353 1.204 1.371 0.000 0.000 0.000 3/25920 610.0 1.331 1.184 1.348 0.000 0.000 0.000 3/25920 620.0 1.309 1.165 1.326 0.000 0.000 0.000 3/25920 630.0 1.289 1.146 1.305 0.000 0.000 0.000 3/25920 640.0 1.268 1.128 1.285 0.000 0.000 0.000 3/25920 650.0 1.249 1.111 1.265 0.000 0.000 0.000 3/25920 660.0 1.230 1.094 1.245 0.000 0.000 0.000 3/25920 670.0 1.211 1.078 1.227 0.000 0.000 0.000 3/25920 680.0 1.193 1.062 1.209 0.000 0.000 0.000 3/25920 690.0 1.176 1.047 1.191 0.000 0.000 0.000 3/25920 700.0 1.159 1.032 1.174 0.000 0.000 0.000 3/25920 710.0 1.143 1.017 1.157 0.000 0.000 0.000 3/25920 720.0 1.127 1.003 1.141 0.000 0.000 0.000 3/25920 730.0 1.112 0.989 1.125 0.000 0.000 0.000 3/25920 740.0 1.096 0.976 1.110 0.000 0.000 0.000 3/25920 750.0 1.082 0.963 1.095 0.000 0.000 0.000 3/25920 760.0 1.068 0.950 1.081 0.000 0.000 0.000 3/25920 770.0 1.054 0.938 1.067 0.000 0.000 0.000 3/25920 780.0 1.040 0.926 1.053 0.000 0.000 0.000 3/25920 790.0 1.027 0.914 1.040 0.000 0.000 0.000 3/25920 800.0 1.014 0.903 1.027 0.000 0.000 0.000 3/25920 810.0 1.002 0.892 1.014 0.000 0.000 0.000 3/25920 820.0 0.989 0.881 1.001 0.000 0.000 0.000 3/25920 830.0 0.977 0.870 0.989 0.000 0.000 0.000 3/25920 840.0 0.966 0.860 0.977 0.000 0.000 0.000 3/25920 850.0 0.954 0.850 0.966 0.000 0.000 0.000 3/25920 860.0 0.943 0.840 0.955 0.000 0.000 0.000 3/25920 870.0 0.932 0.830 0.944 0.000 0.000 0.000 3/25920 880.0 0.922 0.821 0.933 0.000 0.000 0.000 3/25920 890.0 0.911 0.811 0.922 0.000 0.000 0.000 3/25920 900.0 0.901 0.802 0.912 0.000 0.000 0.000 3/25920 910.0 0.891 0.794 0.902 0.000 0.000 0.000 3/25920 920.0 0.882 0.785 0.892 0.000 0.000 0.000 3/25920 930.0 0.872 0.776 0.883 0.000 0.000 0.000 3/25920 940.0 0.863 0.768 0.873 0.000 0.000 0.000 3/25920 950.0 0.854 0.760 0.864 0.000 0.000 0.000 3/25920 960.0 0.845 0.752 0.855 0.000 0.000 0.000 3/25920 970.0 0.836 0.744 0.846 0.000 0.000 0.000 3/25920 980.0 0.828 0.737 0.837 0.000 0.000 0.000 3/25920 990.0 0.819 0.729 0.829 0.000 0.000 0.000 3/25920 1000.0 0.811 0.722 0.821 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m869.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:02:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|