----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:25:48]------------------------- 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 5.534091890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701882920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.407996580000000 Atomic positions (fractional): *1 O 0.20822883391949 0.95460171451363 0.70904911687776 15.999 2 O 0.79177116608051 0.45460171451363 0.29095088312224 15.999 3 O 0.70822883391949 0.95460171451363 0.79095088312224 15.999 4 O 0.29177116608051 0.45460171451363 0.20904911687776 15.999 5 O 0.20822883391949 0.54539828548637 0.70904911687776 15.999 6 O 0.79177116608051 0.04539828548637 0.29095088312224 15.999 7 O 0.70822883391949 0.54539828548637 0.79095088312224 15.999 8 O 0.29177116608051 0.04539828548637 0.20904911687776 15.999 *9 O 0.97982918129874 0.25000000000000 0.91528739673265 15.999 10 O 0.02017081870126 0.75000000000000 0.08471260326735 15.999 11 O 0.47982918129874 0.25000000000000 0.58471260326735 15.999 12 O 0.52017081870126 0.75000000000000 0.41528739673265 15.999 *13 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 14 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 15 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 16 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 *17 Nd 0.44953778365262 0.75000000000000 0.98733407061144 144.242 18 Nd 0.55046221634738 0.25000000000000 0.01266592938856 144.242 19 Nd 0.94953778365262 0.75000000000000 0.51266592938856 144.242 20 Nd 0.05046221634738 0.25000000000000 0.48733407061144 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.534091890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701882920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.407996580000000 Atomic positions (fractional): *1 O 0.20822883391949 0.95460171451363 0.70904911687776 15.999 > 1 2 O 0.79177116608051 0.45460171451363 0.29095088312224 15.999 > 2 3 O 0.70822883391949 0.95460171451363 0.79095088312224 15.999 > 3 4 O 0.29177116608051 0.45460171451363 0.20904911687776 15.999 > 4 5 O 0.20822883391949 0.54539828548637 0.70904911687776 15.999 > 5 6 O 0.79177116608051 0.04539828548637 0.29095088312224 15.999 > 6 7 O 0.70822883391949 0.54539828548637 0.79095088312224 15.999 > 7 8 O 0.29177116608051 0.04539828548637 0.20904911687776 15.999 > 8 *9 O 0.97982918129874 0.25000000000000 0.91528739673265 15.999 > 9 10 O 0.02017081870126 0.75000000000000 0.08471260326735 15.999 > 10 11 O 0.47982918129874 0.25000000000000 0.58471260326735 15.999 > 11 12 O 0.52017081870126 0.75000000000000 0.41528739673265 15.999 > 12 *13 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 13 14 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 14 15 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 15 16 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 16 *17 Nd 0.44953778365262 0.75000000000000 0.98733407061144 144.242 > 17 18 Nd 0.55046221634738 0.25000000000000 0.01266592938856 144.242 > 18 19 Nd 0.94953778365262 0.75000000000000 0.51266592938856 144.242 > 19 20 Nd 0.05046221634738 0.25000000000000 0.48733407061144 144.242 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.068183780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701882920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.815993160000000 Atomic positions (fractional): *1 O 0.10411441695974 0.95460171451363 0.35452455843888 15.999 > 1 2 O 0.60411441695974 0.95460171451363 0.35452455843888 15.999 > 1 3 O 0.10411441695974 0.95460171451363 0.85452455843888 15.999 > 1 4 O 0.60411441695974 0.95460171451363 0.85452455843888 15.999 > 1 5 O 0.39588558304026 0.45460171451363 0.14547544156112 15.999 > 2 6 O 0.89588558304026 0.45460171451363 0.14547544156112 15.999 > 2 7 O 0.39588558304026 0.45460171451363 0.64547544156112 15.999 > 2 8 O 0.89588558304026 0.45460171451363 0.64547544156112 15.999 > 2 9 O 0.35411441695974 0.95460171451363 0.39547544156112 15.999 > 3 10 O 0.85411441695974 0.95460171451363 0.39547544156112 15.999 > 3 11 O 0.35411441695974 0.95460171451363 0.89547544156112 15.999 > 3 12 O 0.85411441695974 0.95460171451363 0.89547544156112 15.999 > 3 13 O 0.14588558304026 0.45460171451363 0.10452455843888 15.999 > 4 14 O 0.64588558304026 0.45460171451363 0.10452455843888 15.999 > 4 15 O 0.14588558304026 0.45460171451363 0.60452455843888 15.999 > 4 16 O 0.64588558304026 0.45460171451363 0.60452455843888 15.999 > 4 17 O 0.10411441695974 0.54539828548637 0.35452455843888 15.999 > 5 18 O 0.60411441695974 0.54539828548637 0.35452455843888 15.999 > 5 19 O 0.10411441695974 0.54539828548637 0.85452455843888 15.999 > 5 20 O 0.60411441695974 0.54539828548637 0.85452455843888 15.999 > 5 21 O 0.39588558304026 0.04539828548637 0.14547544156112 15.999 > 6 22 O 0.89588558304026 0.04539828548637 0.14547544156112 15.999 > 6 23 O 0.39588558304026 0.04539828548637 0.64547544156112 15.999 > 6 24 O 0.89588558304026 0.04539828548637 0.64547544156112 15.999 > 6 25 O 0.35411441695974 0.54539828548637 0.39547544156112 15.999 > 7 26 O 0.85411441695974 0.54539828548637 0.39547544156112 15.999 > 7 27 O 0.35411441695974 0.54539828548637 0.89547544156112 15.999 > 7 28 O 0.85411441695974 0.54539828548637 0.89547544156112 15.999 > 7 29 O 0.14588558304026 0.04539828548637 0.10452455843888 15.999 > 8 30 O 0.64588558304026 0.04539828548637 0.10452455843888 15.999 > 8 31 O 0.14588558304026 0.04539828548637 0.60452455843888 15.999 > 8 32 O 0.64588558304026 0.04539828548637 0.60452455843888 15.999 > 8 *33 O 0.48991459064937 0.25000000000000 0.45764369836632 15.999 > 9 34 O 0.98991459064937 0.25000000000000 0.45764369836632 15.999 > 9 35 O 0.48991459064937 0.25000000000000 0.95764369836632 15.999 > 9 36 O 0.98991459064937 0.25000000000000 0.95764369836632 15.999 > 9 37 O 0.01008540935063 0.75000000000000 0.04235630163368 15.999 > 10 38 O 0.51008540935063 0.75000000000000 0.04235630163368 15.999 > 10 39 O 0.01008540935063 0.75000000000000 0.54235630163368 15.999 > 10 40 O 0.51008540935063 0.75000000000000 0.54235630163368 15.999 > 10 41 O 0.23991459064937 0.25000000000000 0.29235630163368 15.999 > 11 42 O 0.73991459064937 0.25000000000000 0.29235630163368 15.999 > 11 43 O 0.23991459064937 0.25000000000000 0.79235630163368 15.999 > 11 44 O 0.73991459064937 0.25000000000000 0.79235630163368 15.999 > 11 45 O 0.26008540935063 0.75000000000000 0.20764369836632 15.999 > 12 46 O 0.76008540935063 0.75000000000000 0.20764369836632 15.999 > 12 47 O 0.26008540935063 0.75000000000000 0.70764369836632 15.999 > 12 48 O 0.76008540935063 0.75000000000000 0.70764369836632 15.999 > 12 *49 Ga 0.25000000000000 0.50000000000000 0.25000000000000 69.723 > 13 50 Ga 0.75000000000000 0.50000000000000 0.25000000000000 69.723 > 13 51 Ga 0.25000000000000 0.50000000000000 0.75000000000000 69.723 > 13 52 Ga 0.75000000000000 0.50000000000000 0.75000000000000 69.723 > 13 53 Ga 0.25000000000000 0.00000000000000 0.25000000000000 69.723 > 14 54 Ga 0.75000000000000 0.00000000000000 0.25000000000000 69.723 > 14 55 Ga 0.25000000000000 0.00000000000000 0.75000000000000 69.723 > 14 56 Ga 0.75000000000000 0.00000000000000 0.75000000000000 69.723 > 14 57 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 15 58 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 15 59 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 15 60 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 15 61 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 16 62 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 16 63 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 16 64 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 16 *65 Nd 0.22476889182631 0.75000000000000 0.49366703530572 144.242 > 17 66 Nd 0.72476889182631 0.75000000000000 0.49366703530572 144.242 > 17 67 Nd 0.22476889182631 0.75000000000000 0.99366703530572 144.242 > 17 68 Nd 0.72476889182631 0.75000000000000 0.99366703530572 144.242 > 17 69 Nd 0.27523110817369 0.25000000000000 0.00633296469428 144.242 > 18 70 Nd 0.77523110817369 0.25000000000000 0.00633296469428 144.242 > 18 71 Nd 0.27523110817369 0.25000000000000 0.50633296469428 144.242 > 18 72 Nd 0.77523110817369 0.25000000000000 0.50633296469428 144.242 > 18 73 Nd 0.47476889182631 0.75000000000000 0.25633296469428 144.242 > 19 74 Nd 0.97476889182631 0.75000000000000 0.25633296469428 144.242 > 19 75 Nd 0.47476889182631 0.75000000000000 0.75633296469428 144.242 > 19 76 Nd 0.97476889182631 0.75000000000000 0.75633296469428 144.242 > 19 77 Nd 0.02523110817369 0.25000000000000 0.24366703530572 144.242 > 20 78 Nd 0.52523110817369 0.25000000000000 0.24366703530572 144.242 > 20 79 Nd 0.02523110817369 0.25000000000000 0.74366703530572 144.242 > 20 80 Nd 0.52523110817369 0.25000000000000 0.74366703530572 144.242 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8422585 0.0000000 0.0000000 0.0000000 4.7406600 0.0000000 0.0000000 0.0000000 4.9140183 -------------------------- Born effective charges -------------------------- 1 O -2.5934219 -0.0811658 0.1577628 -0.1250032 -2.2793959 0.0989215 0.1301271 0.1351442 -2.4940038 2 O -2.5934219 0.0811658 0.1577628 0.1250032 -2.2793959 -0.0989215 0.1301271 -0.1351442 -2.4940038 3 O -2.5934219 -0.0811658 -0.1577628 -0.1250032 -2.2793959 -0.0989215 -0.1301271 -0.1351442 -2.4940038 4 O -2.5934219 0.0811658 -0.1577628 0.1250032 -2.2793959 0.0989215 -0.1301271 0.1351442 -2.4940038 5 O -2.5934219 0.0811658 0.1577628 0.1250032 -2.2793959 -0.0989215 0.1301271 -0.1351442 -2.4940038 6 O -2.5934219 -0.0811658 0.1577628 -0.1250032 -2.2793959 0.0989215 0.1301271 0.1351442 -2.4940038 7 O -2.5934219 0.0811658 -0.1577628 0.1250032 -2.2793959 0.0989215 -0.1301271 0.1351442 -2.4940038 8 O -2.5934219 -0.0811658 -0.1577628 -0.1250032 -2.2793959 -0.0989215 -0.1301271 -0.1351442 -2.4940038 9 O -2.2050501 0.0000000 0.2603841 0.0000000 -2.6366609 0.0000000 0.3068972 0.0000000 -2.5437430 10 O -2.2050501 0.0000000 0.2603841 0.0000000 -2.6366609 0.0000000 0.3068972 0.0000000 -2.5437430 11 O -2.2050501 0.0000000 -0.2603841 0.0000000 -2.6366609 0.0000000 -0.3068972 0.0000000 -2.5437430 12 O -2.2050501 0.0000000 -0.2603841 0.0000000 -2.6366609 0.0000000 -0.3068972 0.0000000 -2.5437430 13 Ga 3.3363736 0.1087973 -0.1168925 0.0160548 3.3505155 0.0985662 -0.1020418 0.0716817 3.3040375 14 Ga 3.3363736 -0.1087973 -0.1168925 -0.0160548 3.3505155 -0.0985662 -0.1020418 -0.0716817 3.3040375 15 Ga 3.3363736 0.1087973 0.1168925 0.0160548 3.3505155 -0.0985662 0.1020418 -0.0716817 3.3040375 16 Ga 3.3363736 -0.1087973 0.1168925 -0.0160548 3.3505155 0.0985662 0.1020418 0.0716817 3.3040375 17 Nd 4.0555203 0.0000000 -0.0552738 0.0000000 3.8449373 0.0000000 -0.2581996 0.0000000 4.2277131 18 Nd 4.0555203 0.0000000 -0.0552738 0.0000000 3.8449373 0.0000000 -0.2581996 0.0000000 4.2277131 19 Nd 4.0555203 0.0000000 0.0552738 0.0000000 3.8449373 0.0000000 0.2581996 0.0000000 4.2277131 20 Nd 4.0555203 0.0000000 0.0552738 0.0000000 3.8449373 0.0000000 0.2581996 0.0000000 4.2277131 ---------------------------------------------------------------------------- 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: 0.765 Solver_block: 200 / 320 - Time: 0.751 Solver_block: 300 / 320 - Time: 0.773 Solver_block: 320 / 320 - Time: 0.203 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.578 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:26:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:26:05]------------------------- 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 5.534091890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701882920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.407996580000000 Atomic positions (fractional): 1 O 0.20822883391949 0.95460171451363 0.70904911687776 15.999 2 O 0.79177116608051 0.45460171451363 0.29095088312224 15.999 3 O 0.70822883391949 0.95460171451363 0.79095088312224 15.999 4 O 0.29177116608051 0.45460171451363 0.20904911687776 15.999 5 O 0.20822883391949 0.54539828548637 0.70904911687776 15.999 6 O 0.79177116608051 0.04539828548637 0.29095088312224 15.999 7 O 0.70822883391949 0.54539828548637 0.79095088312224 15.999 8 O 0.29177116608051 0.04539828548637 0.20904911687776 15.999 9 O 0.97982918129874 0.25000000000000 0.91528739673265 15.999 10 O 0.02017081870126 0.75000000000000 0.08471260326735 15.999 11 O 0.47982918129874 0.25000000000000 0.58471260326735 15.999 12 O 0.52017081870126 0.75000000000000 0.41528739673265 15.999 13 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 14 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 15 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 16 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 17 Nd 0.44953778365262 0.75000000000000 0.98733407061144 144.242 18 Nd 0.55046221634738 0.25000000000000 0.01266592938856 144.242 19 Nd 0.94953778365262 0.75000000000000 0.51266592938856 144.242 20 Nd 0.05046221634738 0.25000000000000 0.48733407061144 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.068183780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701882920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.815993160000000 Atomic positions (fractional): 1 O 0.10411441695974 0.95460171451363 0.35452455843888 15.999 > 1 2 O 0.60411441695974 0.95460171451363 0.35452455843888 15.999 > 1 3 O 0.10411441695974 0.95460171451363 0.85452455843888 15.999 > 1 4 O 0.60411441695974 0.95460171451363 0.85452455843888 15.999 > 1 5 O 0.39588558304026 0.45460171451363 0.14547544156112 15.999 > 5 6 O 0.89588558304026 0.45460171451363 0.14547544156112 15.999 > 5 7 O 0.39588558304026 0.45460171451363 0.64547544156112 15.999 > 5 8 O 0.89588558304026 0.45460171451363 0.64547544156112 15.999 > 5 9 O 0.35411441695974 0.95460171451363 0.39547544156112 15.999 > 9 10 O 0.85411441695974 0.95460171451363 0.39547544156112 15.999 > 9 11 O 0.35411441695974 0.95460171451363 0.89547544156112 15.999 > 9 12 O 0.85411441695974 0.95460171451363 0.89547544156112 15.999 > 9 13 O 0.14588558304026 0.45460171451363 0.10452455843888 15.999 > 13 14 O 0.64588558304026 0.45460171451363 0.10452455843888 15.999 > 13 15 O 0.14588558304026 0.45460171451363 0.60452455843888 15.999 > 13 16 O 0.64588558304026 0.45460171451363 0.60452455843888 15.999 > 13 17 O 0.10411441695974 0.54539828548637 0.35452455843888 15.999 > 17 18 O 0.60411441695974 0.54539828548637 0.35452455843888 15.999 > 17 19 O 0.10411441695974 0.54539828548637 0.85452455843888 15.999 > 17 20 O 0.60411441695974 0.54539828548637 0.85452455843888 15.999 > 17 21 O 0.39588558304026 0.04539828548637 0.14547544156112 15.999 > 21 22 O 0.89588558304026 0.04539828548637 0.14547544156112 15.999 > 21 23 O 0.39588558304026 0.04539828548637 0.64547544156112 15.999 > 21 24 O 0.89588558304026 0.04539828548637 0.64547544156112 15.999 > 21 25 O 0.35411441695974 0.54539828548637 0.39547544156112 15.999 > 25 26 O 0.85411441695974 0.54539828548637 0.39547544156112 15.999 > 25 27 O 0.35411441695974 0.54539828548637 0.89547544156112 15.999 > 25 28 O 0.85411441695974 0.54539828548637 0.89547544156112 15.999 > 25 29 O 0.14588558304026 0.04539828548637 0.10452455843888 15.999 > 29 30 O 0.64588558304026 0.04539828548637 0.10452455843888 15.999 > 29 31 O 0.14588558304026 0.04539828548637 0.60452455843888 15.999 > 29 32 O 0.64588558304026 0.04539828548637 0.60452455843888 15.999 > 29 33 O 0.48991459064937 0.25000000000000 0.45764369836632 15.999 > 33 34 O 0.98991459064937 0.25000000000000 0.45764369836632 15.999 > 33 35 O 0.48991459064937 0.25000000000000 0.95764369836632 15.999 > 33 36 O 0.98991459064937 0.25000000000000 0.95764369836632 15.999 > 33 37 O 0.01008540935063 0.75000000000000 0.04235630163368 15.999 > 37 38 O 0.51008540935063 0.75000000000000 0.04235630163368 15.999 > 37 39 O 0.01008540935063 0.75000000000000 0.54235630163368 15.999 > 37 40 O 0.51008540935063 0.75000000000000 0.54235630163368 15.999 > 37 41 O 0.23991459064937 0.25000000000000 0.29235630163368 15.999 > 41 42 O 0.73991459064937 0.25000000000000 0.29235630163368 15.999 > 41 43 O 0.23991459064937 0.25000000000000 0.79235630163368 15.999 > 41 44 O 0.73991459064937 0.25000000000000 0.79235630163368 15.999 > 41 45 O 0.26008540935063 0.75000000000000 0.20764369836632 15.999 > 45 46 O 0.76008540935063 0.75000000000000 0.20764369836632 15.999 > 45 47 O 0.26008540935063 0.75000000000000 0.70764369836632 15.999 > 45 48 O 0.76008540935063 0.75000000000000 0.70764369836632 15.999 > 45 49 Ga 0.25000000000000 0.50000000000000 0.25000000000000 69.723 > 49 50 Ga 0.75000000000000 0.50000000000000 0.25000000000000 69.723 > 49 51 Ga 0.25000000000000 0.50000000000000 0.75000000000000 69.723 > 49 52 Ga 0.75000000000000 0.50000000000000 0.75000000000000 69.723 > 49 53 Ga 0.25000000000000 0.00000000000000 0.25000000000000 69.723 > 53 54 Ga 0.75000000000000 0.00000000000000 0.25000000000000 69.723 > 53 55 Ga 0.25000000000000 0.00000000000000 0.75000000000000 69.723 > 53 56 Ga 0.75000000000000 0.00000000000000 0.75000000000000 69.723 > 53 57 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 57 58 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 57 59 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 57 60 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 57 61 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 61 62 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 61 63 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 61 64 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 61 65 Nd 0.22476889182631 0.75000000000000 0.49366703530572 144.242 > 65 66 Nd 0.72476889182631 0.75000000000000 0.49366703530572 144.242 > 65 67 Nd 0.22476889182631 0.75000000000000 0.99366703530572 144.242 > 65 68 Nd 0.72476889182631 0.75000000000000 0.99366703530572 144.242 > 65 69 Nd 0.27523110817369 0.25000000000000 0.00633296469428 144.242 > 69 70 Nd 0.77523110817369 0.25000000000000 0.00633296469428 144.242 > 69 71 Nd 0.27523110817369 0.25000000000000 0.50633296469428 144.242 > 69 72 Nd 0.77523110817369 0.25000000000000 0.50633296469428 144.242 > 69 73 Nd 0.47476889182631 0.75000000000000 0.25633296469428 144.242 > 73 74 Nd 0.97476889182631 0.75000000000000 0.25633296469428 144.242 > 73 75 Nd 0.47476889182631 0.75000000000000 0.75633296469428 144.242 > 73 76 Nd 0.97476889182631 0.75000000000000 0.75633296469428 144.242 > 73 77 Nd 0.02523110817369 0.25000000000000 0.24366703530572 144.242 > 77 78 Nd 0.52523110817369 0.25000000000000 0.24366703530572 144.242 > 77 79 Nd 0.02523110817369 0.25000000000000 0.74366703530572 144.242 > 77 80 Nd 0.52523110817369 0.25000000000000 0.74366703530572 144.242 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8422585 0.0000000 0.0000000 0.0000000 4.7406600 0.0000000 0.0000000 0.0000000 4.9140183 -------------------------- Born effective charges -------------------------- 1 O -2.5934219 -0.0811658 0.1577628 -0.1250032 -2.2793959 0.0989215 0.1301271 0.1351442 -2.4940038 2 O -2.5934219 0.0811658 0.1577628 0.1250032 -2.2793959 -0.0989215 0.1301271 -0.1351442 -2.4940038 3 O -2.5934219 -0.0811658 -0.1577628 -0.1250032 -2.2793959 -0.0989215 -0.1301271 -0.1351442 -2.4940038 4 O -2.5934219 0.0811658 -0.1577628 0.1250032 -2.2793959 0.0989215 -0.1301271 0.1351442 -2.4940038 5 O -2.5934219 0.0811658 0.1577628 0.1250032 -2.2793959 -0.0989215 0.1301271 -0.1351442 -2.4940038 6 O -2.5934219 -0.0811658 0.1577628 -0.1250032 -2.2793959 0.0989215 0.1301271 0.1351442 -2.4940038 7 O -2.5934219 0.0811658 -0.1577628 0.1250032 -2.2793959 0.0989215 -0.1301271 0.1351442 -2.4940038 8 O -2.5934219 -0.0811658 -0.1577628 -0.1250032 -2.2793959 -0.0989215 -0.1301271 -0.1351442 -2.4940038 9 O -2.2050501 0.0000000 0.2603841 0.0000000 -2.6366609 0.0000000 0.3068972 0.0000000 -2.5437430 10 O -2.2050501 0.0000000 0.2603841 0.0000000 -2.6366609 0.0000000 0.3068972 0.0000000 -2.5437430 11 O -2.2050501 0.0000000 -0.2603841 0.0000000 -2.6366609 0.0000000 -0.3068972 0.0000000 -2.5437430 12 O -2.2050501 0.0000000 -0.2603841 0.0000000 -2.6366609 0.0000000 -0.3068972 0.0000000 -2.5437430 13 Ga 3.3363736 0.1087973 -0.1168925 0.0160548 3.3505155 0.0985662 -0.1020418 0.0716817 3.3040375 14 Ga 3.3363736 -0.1087973 -0.1168925 -0.0160548 3.3505155 -0.0985662 -0.1020418 -0.0716817 3.3040375 15 Ga 3.3363736 0.1087973 0.1168925 0.0160548 3.3505155 -0.0985662 0.1020418 -0.0716817 3.3040375 16 Ga 3.3363736 -0.1087973 0.1168925 -0.0160548 3.3505155 0.0985662 0.1020418 0.0716817 3.3040375 17 Nd 4.0555203 0.0000000 -0.0552738 0.0000000 3.8449373 0.0000000 -0.2581996 0.0000000 4.2277131 18 Nd 4.0555203 0.0000000 -0.0552738 0.0000000 3.8449373 0.0000000 -0.2581996 0.0000000 4.2277131 19 Nd 4.0555203 0.0000000 0.0552738 0.0000000 3.8449373 0.0000000 0.2581996 0.0000000 4.2277131 20 Nd 4.0555203 0.0000000 0.0552738 0.0000000 3.8449373 0.0000000 0.2581996 0.0000000 4.2277131 ---------------------------------------------------------------------------- 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: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:26:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:26:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.534091890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701882920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.407996580000000 Atomic positions (fractional): 1 O 0.20822883391949 0.95460171451363 0.70904911687776 15.999 2 O 0.79177116608051 0.45460171451363 0.29095088312224 15.999 3 O 0.70822883391949 0.95460171451363 0.79095088312224 15.999 4 O 0.29177116608051 0.45460171451363 0.20904911687776 15.999 5 O 0.20822883391949 0.54539828548637 0.70904911687776 15.999 6 O 0.79177116608051 0.04539828548637 0.29095088312224 15.999 7 O 0.70822883391949 0.54539828548637 0.79095088312224 15.999 8 O 0.29177116608051 0.04539828548637 0.20904911687776 15.999 9 O 0.97982918129874 0.25000000000000 0.91528739673265 15.999 10 O 0.02017081870126 0.75000000000000 0.08471260326735 15.999 11 O 0.47982918129874 0.25000000000000 0.58471260326735 15.999 12 O 0.52017081870126 0.75000000000000 0.41528739673265 15.999 13 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 14 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 15 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 16 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 17 Nd 0.44953778365262 0.75000000000000 0.98733407061144 144.242 18 Nd 0.55046221634738 0.25000000000000 0.01266592938856 144.242 19 Nd 0.94953778365262 0.75000000000000 0.51266592938856 144.242 20 Nd 0.05046221634738 0.25000000000000 0.48733407061144 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.068183780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701882920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.815993160000000 Atomic positions (fractional): 1 O 0.10411441695974 0.95460171451363 0.35452455843888 15.999 > 1 2 O 0.60411441695974 0.95460171451363 0.35452455843888 15.999 > 1 3 O 0.10411441695974 0.95460171451363 0.85452455843888 15.999 > 1 4 O 0.60411441695974 0.95460171451363 0.85452455843888 15.999 > 1 5 O 0.39588558304026 0.45460171451363 0.14547544156112 15.999 > 5 6 O 0.89588558304026 0.45460171451363 0.14547544156112 15.999 > 5 7 O 0.39588558304026 0.45460171451363 0.64547544156112 15.999 > 5 8 O 0.89588558304026 0.45460171451363 0.64547544156112 15.999 > 5 9 O 0.35411441695974 0.95460171451363 0.39547544156112 15.999 > 9 10 O 0.85411441695974 0.95460171451363 0.39547544156112 15.999 > 9 11 O 0.35411441695974 0.95460171451363 0.89547544156112 15.999 > 9 12 O 0.85411441695974 0.95460171451363 0.89547544156112 15.999 > 9 13 O 0.14588558304026 0.45460171451363 0.10452455843888 15.999 > 13 14 O 0.64588558304026 0.45460171451363 0.10452455843888 15.999 > 13 15 O 0.14588558304026 0.45460171451363 0.60452455843888 15.999 > 13 16 O 0.64588558304026 0.45460171451363 0.60452455843888 15.999 > 13 17 O 0.10411441695974 0.54539828548637 0.35452455843888 15.999 > 17 18 O 0.60411441695974 0.54539828548637 0.35452455843888 15.999 > 17 19 O 0.10411441695974 0.54539828548637 0.85452455843888 15.999 > 17 20 O 0.60411441695974 0.54539828548637 0.85452455843888 15.999 > 17 21 O 0.39588558304026 0.04539828548637 0.14547544156112 15.999 > 21 22 O 0.89588558304026 0.04539828548637 0.14547544156112 15.999 > 21 23 O 0.39588558304026 0.04539828548637 0.64547544156112 15.999 > 21 24 O 0.89588558304026 0.04539828548637 0.64547544156112 15.999 > 21 25 O 0.35411441695974 0.54539828548637 0.39547544156112 15.999 > 25 26 O 0.85411441695974 0.54539828548637 0.39547544156112 15.999 > 25 27 O 0.35411441695974 0.54539828548637 0.89547544156112 15.999 > 25 28 O 0.85411441695974 0.54539828548637 0.89547544156112 15.999 > 25 29 O 0.14588558304026 0.04539828548637 0.10452455843888 15.999 > 29 30 O 0.64588558304026 0.04539828548637 0.10452455843888 15.999 > 29 31 O 0.14588558304026 0.04539828548637 0.60452455843888 15.999 > 29 32 O 0.64588558304026 0.04539828548637 0.60452455843888 15.999 > 29 33 O 0.48991459064937 0.25000000000000 0.45764369836632 15.999 > 33 34 O 0.98991459064937 0.25000000000000 0.45764369836632 15.999 > 33 35 O 0.48991459064937 0.25000000000000 0.95764369836632 15.999 > 33 36 O 0.98991459064937 0.25000000000000 0.95764369836632 15.999 > 33 37 O 0.01008540935063 0.75000000000000 0.04235630163368 15.999 > 37 38 O 0.51008540935063 0.75000000000000 0.04235630163368 15.999 > 37 39 O 0.01008540935063 0.75000000000000 0.54235630163368 15.999 > 37 40 O 0.51008540935063 0.75000000000000 0.54235630163368 15.999 > 37 41 O 0.23991459064937 0.25000000000000 0.29235630163368 15.999 > 41 42 O 0.73991459064937 0.25000000000000 0.29235630163368 15.999 > 41 43 O 0.23991459064937 0.25000000000000 0.79235630163368 15.999 > 41 44 O 0.73991459064937 0.25000000000000 0.79235630163368 15.999 > 41 45 O 0.26008540935063 0.75000000000000 0.20764369836632 15.999 > 45 46 O 0.76008540935063 0.75000000000000 0.20764369836632 15.999 > 45 47 O 0.26008540935063 0.75000000000000 0.70764369836632 15.999 > 45 48 O 0.76008540935063 0.75000000000000 0.70764369836632 15.999 > 45 49 Ga 0.25000000000000 0.50000000000000 0.25000000000000 69.723 > 49 50 Ga 0.75000000000000 0.50000000000000 0.25000000000000 69.723 > 49 51 Ga 0.25000000000000 0.50000000000000 0.75000000000000 69.723 > 49 52 Ga 0.75000000000000 0.50000000000000 0.75000000000000 69.723 > 49 53 Ga 0.25000000000000 0.00000000000000 0.25000000000000 69.723 > 53 54 Ga 0.75000000000000 0.00000000000000 0.25000000000000 69.723 > 53 55 Ga 0.25000000000000 0.00000000000000 0.75000000000000 69.723 > 53 56 Ga 0.75000000000000 0.00000000000000 0.75000000000000 69.723 > 53 57 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 57 58 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 57 59 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 57 60 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 57 61 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 61 62 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 61 63 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 61 64 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 61 65 Nd 0.22476889182631 0.75000000000000 0.49366703530572 144.242 > 65 66 Nd 0.72476889182631 0.75000000000000 0.49366703530572 144.242 > 65 67 Nd 0.22476889182631 0.75000000000000 0.99366703530572 144.242 > 65 68 Nd 0.72476889182631 0.75000000000000 0.99366703530572 144.242 > 65 69 Nd 0.27523110817369 0.25000000000000 0.00633296469428 144.242 > 69 70 Nd 0.77523110817369 0.25000000000000 0.00633296469428 144.242 > 69 71 Nd 0.27523110817369 0.25000000000000 0.50633296469428 144.242 > 69 72 Nd 0.77523110817369 0.25000000000000 0.50633296469428 144.242 > 69 73 Nd 0.47476889182631 0.75000000000000 0.25633296469428 144.242 > 73 74 Nd 0.97476889182631 0.75000000000000 0.25633296469428 144.242 > 73 75 Nd 0.47476889182631 0.75000000000000 0.75633296469428 144.242 > 73 76 Nd 0.97476889182631 0.75000000000000 0.75633296469428 144.242 > 73 77 Nd 0.02523110817369 0.25000000000000 0.24366703530572 144.242 > 77 78 Nd 0.52523110817369 0.25000000000000 0.24366703530572 144.242 > 77 79 Nd 0.02523110817369 0.25000000000000 0.74366703530572 144.242 > 77 80 Nd 0.52523110817369 0.25000000000000 0.74366703530572 144.242 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8422585 0.0000000 0.0000000 0.0000000 4.7406600 0.0000000 0.0000000 0.0000000 4.9140183 -------------------------- Born effective charges -------------------------- 1 O -2.5934219 -0.0811658 0.1577628 -0.1250032 -2.2793959 0.0989215 0.1301271 0.1351442 -2.4940038 2 O -2.5934219 0.0811658 0.1577628 0.1250032 -2.2793959 -0.0989215 0.1301271 -0.1351442 -2.4940038 3 O -2.5934219 -0.0811658 -0.1577628 -0.1250032 -2.2793959 -0.0989215 -0.1301271 -0.1351442 -2.4940038 4 O -2.5934219 0.0811658 -0.1577628 0.1250032 -2.2793959 0.0989215 -0.1301271 0.1351442 -2.4940038 5 O -2.5934219 0.0811658 0.1577628 0.1250032 -2.2793959 -0.0989215 0.1301271 -0.1351442 -2.4940038 6 O -2.5934219 -0.0811658 0.1577628 -0.1250032 -2.2793959 0.0989215 0.1301271 0.1351442 -2.4940038 7 O -2.5934219 0.0811658 -0.1577628 0.1250032 -2.2793959 0.0989215 -0.1301271 0.1351442 -2.4940038 8 O -2.5934219 -0.0811658 -0.1577628 -0.1250032 -2.2793959 -0.0989215 -0.1301271 -0.1351442 -2.4940038 9 O -2.2050501 0.0000000 0.2603841 0.0000000 -2.6366609 0.0000000 0.3068972 0.0000000 -2.5437430 10 O -2.2050501 0.0000000 0.2603841 0.0000000 -2.6366609 0.0000000 0.3068972 0.0000000 -2.5437430 11 O -2.2050501 0.0000000 -0.2603841 0.0000000 -2.6366609 0.0000000 -0.3068972 0.0000000 -2.5437430 12 O -2.2050501 0.0000000 -0.2603841 0.0000000 -2.6366609 0.0000000 -0.3068972 0.0000000 -2.5437430 13 Ga 3.3363736 0.1087973 -0.1168925 0.0160548 3.3505155 0.0985662 -0.1020418 0.0716817 3.3040375 14 Ga 3.3363736 -0.1087973 -0.1168925 -0.0160548 3.3505155 -0.0985662 -0.1020418 -0.0716817 3.3040375 15 Ga 3.3363736 0.1087973 0.1168925 0.0160548 3.3505155 -0.0985662 0.1020418 -0.0716817 3.3040375 16 Ga 3.3363736 -0.1087973 0.1168925 -0.0160548 3.3505155 0.0985662 0.1020418 0.0716817 3.3040375 17 Nd 4.0555203 0.0000000 -0.0552738 0.0000000 3.8449373 0.0000000 -0.2581996 0.0000000 4.2277131 18 Nd 4.0555203 0.0000000 -0.0552738 0.0000000 3.8449373 0.0000000 -0.2581996 0.0000000 4.2277131 19 Nd 4.0555203 0.0000000 0.0552738 0.0000000 3.8449373 0.0000000 0.2581996 0.0000000 4.2277131 20 Nd 4.0555203 0.0000000 0.0552738 0.0000000 3.8449373 0.0000000 0.2581996 0.0000000 4.2277131 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 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: 0.68, Number of G-points: 315, Lambda: 0.16 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 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 2.777 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 0.000) 0.000 5.575 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 7.018 ( 0.000 0.000 0.000) 0.000 7.053 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.387 ( 0.000 0.000 0.000) 0.000 7.603 ( 0.000 0.000 0.000) 0.000 7.791 ( 0.000 0.000 0.000) 0.000 8.130 ( 0.000 0.000 0.000) 0.000 8.407 ( 0.000 0.000 0.000) 0.000 8.468 ( 0.000 0.000 0.000) 0.000 8.567 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 0.000) 0.000 8.818 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.456 ( 0.000 0.000 0.000) 0.000 9.617 ( 0.000 0.000 0.000) 0.000 10.158 ( 0.000 0.000 0.000) 0.000 10.339 ( 0.000 0.000 0.000) 0.000 10.353 ( 0.000 0.000 0.000) 0.000 10.468 ( 0.000 0.000 0.000) 0.000 10.696 ( 0.000 0.000 0.000) 0.000 10.745 ( 0.000 0.000 0.000) 0.000 11.293 ( 0.000 0.000 0.000) 0.000 11.585 ( 0.000 0.000 0.000) 0.000 11.617 ( 0.000 0.000 0.000) 0.000 11.713 ( 0.000 0.000 0.000) 0.000 12.644 ( 0.000 0.000 0.000) 0.000 13.322 ( 0.000 0.000 0.000) 0.000 13.513 ( 0.000 0.000 0.000) 0.000 13.687 ( 0.000 0.000 0.000) 0.000 13.814 ( 0.000 0.000 0.000) 0.000 15.213 ( 0.000 0.000 0.000) 0.000 15.490 ( 0.000 0.000 0.000) 0.000 15.928 ( 0.000 0.000 0.000) 0.000 15.945 ( 0.000 0.000 0.000) 0.000 16.354 ( 0.000 0.000 0.000) 0.000 16.582 ( 0.000 0.000 0.000) 0.000 16.845 ( 0.000 0.000 0.000) 0.000 17.286 ( 0.000 0.000 0.000) 0.000 18.089 ( 0.000 0.000 0.000) 0.000 19.220 ( 0.000 0.000 0.000) 0.000 19.986 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 30.724 0.000 0.000) 30.724 0.763 ( 37.437 0.000 0.000) 37.437 1.062 ( 48.971 0.000 0.000) 48.971 2.809 ( 2.997 0.000 0.000) 2.997 3.011 ( 1.316 0.000 0.000) 1.316 3.348 ( 2.713 0.000 0.000) 2.713 3.478 ( -2.537 0.000 0.000) 2.537 3.499 ( -2.893 0.000 0.000) 2.893 4.257 ( -9.033 0.000 0.000) 9.033 4.399 ( -21.881 0.000 0.000) 21.881 4.409 ( -2.253 0.000 0.000) 2.253 4.612 ( -12.222 0.000 0.000) 12.222 4.937 ( 3.951 0.000 0.000) 3.951 5.141 ( 1.751 0.000 0.000) 1.751 5.319 ( 9.654 0.000 0.000) 9.654 5.480 ( -5.434 0.000 0.000) 5.434 5.486 ( 17.340 0.000 0.000) 17.340 5.592 ( 2.100 0.000 0.000) 2.100 6.507 ( 11.523 0.000 0.000) 11.523 7.012 ( -0.066 0.000 0.000) 0.066 7.205 ( -8.181 0.000 0.000) 8.181 7.240 ( 0.756 0.000 0.000) 0.756 7.553 ( 6.336 0.000 0.000) 6.336 7.579 ( -2.321 0.000 0.000) 2.321 7.815 ( 1.668 0.000 0.000) 1.668 8.133 ( 0.330 0.000 0.000) 0.330 8.382 ( -5.966 0.000 0.000) 5.966 8.464 ( 0.216 0.000 0.000) 0.216 8.510 ( -7.532 0.000 0.000) 7.532 8.866 ( 3.606 0.000 0.000) 3.606 8.989 ( -2.266 0.000 0.000) 2.266 9.439 ( 3.478 0.000 0.000) 3.478 9.613 ( -0.954 0.000 0.000) 0.954 10.095 ( -5.637 0.000 0.000) 5.637 10.343 ( -0.527 0.000 0.000) 0.527 10.442 ( 9.805 0.000 0.000) 9.805 10.509 ( 2.972 0.000 0.000) 2.972 10.600 ( -7.496 0.000 0.000) 7.496 10.710 ( -3.259 0.000 0.000) 3.259 11.450 ( 13.256 0.000 0.000) 13.256 11.631 ( -4.715 0.000 0.000) 4.715 11.698 ( 10.728 0.000 0.000) 10.728 11.830 ( 20.800 0.000 0.000) 20.800 12.528 ( 16.178 0.000 0.000) 16.178 13.264 ( -6.017 0.000 0.000) 6.017 13.446 ( -6.350 0.000 0.000) 6.350 13.747 ( 6.200 0.000 0.000) 6.200 13.824 ( 1.740 0.000 0.000) 1.740 14.561 ( 2.031 0.000 0.000) 2.031 15.254 ( 3.875 0.000 0.000) 3.875 15.739 ( -18.922 0.000 0.000) 18.922 15.938 ( -1.811 0.000 0.000) 1.811 15.953 ( 1.945 0.000 0.000) 1.945 16.520 ( -5.922 0.000 0.000) 5.922 16.822 ( -1.987 0.000 0.000) 1.987 17.206 ( -8.033 0.000 0.000) 8.033 18.265 ( 15.673 0.000 0.000) 15.673 18.581 ( 1.722 0.000 0.000) 1.722 19.202 ( -1.827 0.000 0.000) 1.827 19.966 ( -2.030 0.000 0.000) 2.030 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 28.746 0.000 0.000) 28.746 1.489 ( 34.489 0.000 0.000) 34.489 1.871 ( 29.571 0.000 0.000) 29.571 2.886 ( 4.231 0.000 0.000) 4.231 3.072 ( 3.961 0.000 0.000) 3.961 3.403 ( -0.989 0.000 0.000) 0.989 3.436 ( 0.143 0.000 0.000) 0.143 3.441 ( 0.747 0.000 0.000) 0.747 3.980 ( -18.957 0.000 0.000) 18.957 4.026 ( -13.117 0.000 0.000) 13.117 4.285 ( -18.994 0.000 0.000) 18.994 4.339 ( -4.730 0.000 0.000) 4.730 4.990 ( 0.271 0.000 0.000) 0.271 5.087 ( -5.089 0.000 0.000) 5.089 5.356 ( -5.133 0.000 0.000) 5.133 5.596 ( 17.474 0.000 0.000) 17.474 5.692 ( 8.656 0.000 0.000) 8.656 5.905 ( 22.019 0.000 0.000) 22.019 6.764 ( 11.985 0.000 0.000) 11.985 7.029 ( 1.407 0.000 0.000) 1.407 7.043 ( -8.988 0.000 0.000) 8.988 7.280 ( 3.300 0.000 0.000) 3.300 7.514 ( -4.067 0.000 0.000) 4.067 7.615 ( -0.027 0.000 0.000) 0.027 7.818 ( -1.825 0.000 0.000) 1.825 8.144 ( 0.628 0.000 0.000) 0.628 8.233 ( -8.399 0.000 0.000) 8.399 8.318 ( -10.974 0.000 0.000) 10.974 8.513 ( 5.459 0.000 0.000) 5.459 8.930 ( -3.057 0.000 0.000) 3.057 8.931 ( 2.501 0.000 0.000) 2.501 9.517 ( 3.996 0.000 0.000) 3.996 9.556 ( -5.007 0.000 0.000) 5.007 9.968 ( -6.270 0.000 0.000) 6.270 10.329 ( -0.711 0.000 0.000) 0.711 10.448 ( -7.199 0.000 0.000) 7.199 10.521 ( -2.809 0.000 0.000) 2.809 10.624 ( -5.105 0.000 0.000) 5.105 10.732 ( 18.645 0.000 0.000) 18.645 11.624 ( 4.732 0.000 0.000) 4.732 11.751 ( 15.703 0.000 0.000) 15.703 11.975 ( 15.167 0.000 0.000) 15.167 12.422 ( 37.105 0.000 0.000) 37.105 12.851 ( 12.632 0.000 0.000) 12.632 13.087 ( -11.044 0.000 0.000) 11.044 13.290 ( -7.818 0.000 0.000) 7.818 13.927 ( 11.102 0.000 0.000) 11.102 13.957 ( 14.270 0.000 0.000) 14.270 14.604 ( 1.798 0.000 0.000) 1.798 15.258 ( -27.508 0.000 0.000) 27.508 15.356 ( 5.990 0.000 0.000) 5.990 15.887 ( -3.184 0.000 0.000) 3.184 15.943 ( -5.896 0.000 0.000) 5.896 16.387 ( -4.819 0.000 0.000) 4.819 16.773 ( -2.953 0.000 0.000) 2.953 16.960 ( -16.624 0.000 0.000) 16.624 18.634 ( 3.532 0.000 0.000) 3.532 18.637 ( 19.934 0.000 0.000) 19.934 19.148 ( -3.517 0.000 0.000) 3.517 19.903 ( -4.346 0.000 0.000) 4.346 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 25.210 0.000 0.000) 25.210 2.129 ( 28.682 0.000 0.000) 28.682 2.265 ( 12.468 0.000 0.000) 12.468 2.952 ( 1.396 0.000 0.000) 1.396 3.056 ( -5.717 0.000 0.000) 5.717 3.327 ( -4.717 0.000 0.000) 4.717 3.478 ( -1.401 0.000 0.000) 1.401 3.527 ( 5.230 0.000 0.000) 5.230 3.667 ( -11.664 0.000 0.000) 11.664 3.761 ( -12.481 0.000 0.000) 12.481 3.944 ( -11.010 0.000 0.000) 11.010 4.220 ( -7.050 0.000 0.000) 7.050 4.946 ( -3.872 0.000 0.000) 3.872 4.972 ( -5.759 0.000 0.000) 5.759 5.381 ( 10.285 0.000 0.000) 10.285 5.938 ( 15.055 0.000 0.000) 15.055 5.995 ( 21.406 0.000 0.000) 21.406 6.316 ( 17.306 0.000 0.000) 17.306 6.791 ( -17.044 0.000 0.000) 17.044 6.927 ( 3.965 0.000 0.000) 3.965 7.023 ( -3.612 0.000 0.000) 3.612 7.367 ( 4.966 0.000 0.000) 4.966 7.411 ( -6.454 0.000 0.000) 6.454 7.581 ( -2.492 0.000 0.000) 2.492 7.771 ( -1.465 0.000 0.000) 1.465 8.081 ( -5.443 0.000 0.000) 5.443 8.093 ( -10.925 0.000 0.000) 10.925 8.145 ( -0.877 0.000 0.000) 0.877 8.683 ( 10.970 0.000 0.000) 10.970 8.889 ( -0.677 0.000 0.000) 0.677 8.959 ( 0.207 0.000 0.000) 0.207 9.410 ( -9.400 0.000 0.000) 9.400 9.597 ( 3.996 0.000 0.000) 3.996 9.854 ( -5.119 0.000 0.000) 5.119 10.323 ( 0.313 0.000 0.000) 0.313 10.324 ( -4.834 0.000 0.000) 4.834 10.414 ( -6.648 0.000 0.000) 6.648 10.516 ( -5.427 0.000 0.000) 5.427 11.163 ( 23.379 0.000 0.000) 23.379 11.792 ( 10.744 0.000 0.000) 10.744 12.045 ( 12.462 0.000 0.000) 12.462 12.192 ( 2.702 0.000 0.000) 2.702 12.855 ( -10.883 0.000 0.000) 10.883 12.954 ( -1.785 0.000 0.000) 1.785 13.232 ( 5.432 0.000 0.000) 5.432 13.264 ( 45.134 0.000 0.000) 45.134 14.165 ( 11.992 0.000 0.000) 11.992 14.444 ( 31.542 0.000 0.000) 31.542 14.619 ( 0.430 0.000 0.000) 0.430 14.676 ( -29.746 0.000 0.000) 29.746 15.482 ( 6.266 0.000 0.000) 6.266 15.630 ( -24.542 0.000 0.000) 24.542 15.813 ( -4.027 0.000 0.000) 4.027 16.392 ( 4.123 0.000 0.000) 4.123 16.536 ( -25.560 0.000 0.000) 25.560 16.703 ( -4.056 0.000 0.000) 4.056 18.722 ( 5.104 0.000 0.000) 5.104 19.026 ( 18.251 0.000 0.000) 18.251 19.063 ( -4.922 0.000 0.000) 4.922 19.788 ( -7.180 0.000 0.000) 7.180 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 18.267 0.000 0.000) 18.267 2.420 ( 0.456 0.000 0.000) 0.456 2.619 ( 19.589 0.000 0.000) 19.589 2.897 ( -7.880 0.000 0.000) 7.880 2.956 ( 0.187 0.000 0.000) 0.187 3.137 ( -13.874 0.000 0.000) 13.874 3.441 ( 1.827 0.000 0.000) 1.827 3.524 ( -2.526 0.000 0.000) 2.526 3.525 ( -4.390 0.000 0.000) 4.390 3.563 ( -6.357 0.000 0.000) 6.357 3.919 ( 5.488 0.000 0.000) 5.488 4.065 ( -8.024 0.000 0.000) 8.024 4.876 ( -2.202 0.000 0.000) 2.202 4.880 ( -2.748 0.000 0.000) 2.748 5.772 ( 26.031 0.000 0.000) 26.031 6.257 ( 15.495 0.000 0.000) 15.495 6.284 ( -15.949 0.000 0.000) 15.949 6.481 ( -3.530 0.000 0.000) 3.530 6.496 ( 11.029 0.000 0.000) 11.029 6.837 ( -14.849 0.000 0.000) 14.849 7.021 ( 8.855 0.000 0.000) 8.855 7.241 ( -10.633 0.000 0.000) 10.633 7.462 ( 4.198 0.000 0.000) 4.198 7.530 ( -2.717 0.000 0.000) 2.717 7.791 ( 3.419 0.000 0.000) 3.419 7.902 ( -7.633 0.000 0.000) 7.633 8.047 ( 1.629 0.000 0.000) 1.629 8.104 ( -3.047 0.000 0.000) 3.047 8.903 ( 1.692 0.000 0.000) 1.692 8.930 ( 13.054 0.000 0.000) 13.054 8.941 ( -1.745 0.000 0.000) 1.745 9.189 ( -12.307 0.000 0.000) 12.307 9.678 ( 4.014 0.000 0.000) 4.014 9.760 ( -4.303 0.000 0.000) 4.303 10.265 ( -0.777 0.000 0.000) 0.777 10.299 ( -4.077 0.000 0.000) 4.077 10.348 ( 2.308 0.000 0.000) 2.308 10.416 ( -4.332 0.000 0.000) 4.332 11.635 ( 22.794 0.000 0.000) 22.794 12.019 ( 11.058 0.000 0.000) 11.058 12.038 ( -15.970 0.000 0.000) 15.970 12.174 ( -1.709 0.000 0.000) 1.709 12.732 ( 0.815 0.000 0.000) 0.815 12.844 ( -7.493 0.000 0.000) 7.493 13.542 ( 23.136 0.000 0.000) 23.136 14.057 ( -17.345 0.000 0.000) 17.345 14.202 ( 32.885 0.000 0.000) 32.885 14.387 ( 9.690 0.000 0.000) 9.690 14.542 ( -5.453 0.000 0.000) 5.453 15.006 ( -36.769 0.000 0.000) 36.769 15.187 ( 37.233 0.000 0.000) 37.233 15.595 ( 3.971 0.000 0.000) 3.971 15.729 ( -4.115 0.000 0.000) 4.115 15.946 ( -32.007 0.000 0.000) 32.007 16.498 ( 5.776 0.000 0.000) 5.776 16.610 ( -5.171 0.000 0.000) 5.171 18.834 ( 5.939 0.000 0.000) 5.939 18.954 ( -5.825 0.000 0.000) 5.825 19.357 ( 14.583 0.000 0.000) 14.583 19.610 ( -10.649 0.000 0.000) 10.649 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 0.000 34.688 0.000) 34.688 0.794 ( 0.000 35.741 0.000) 35.741 1.340 ( 0.000 60.209 0.000) 60.209 2.778 ( 0.000 -2.201 0.000) 2.201 2.903 ( 0.000 -9.054 0.000) 9.054 3.287 ( 0.000 -0.572 0.000) 0.572 3.501 ( 0.000 1.791 0.000) 1.791 3.608 ( 0.000 7.046 0.000) 7.046 4.270 ( 0.000 -7.681 0.000) 7.681 4.319 ( 0.000 -8.666 0.000) 8.666 4.639 ( 0.000 -8.508 0.000) 8.508 4.802 ( 0.000 3.648 0.000) 3.648 4.870 ( 0.000 -9.767 0.000) 9.767 4.960 ( 0.000 5.642 0.000) 5.642 5.218 ( 0.000 -0.357 0.000) 0.357 5.337 ( 0.000 -4.331 0.000) 4.331 5.734 ( 0.000 14.116 0.000) 14.116 5.830 ( 0.000 5.954 0.000) 5.954 6.443 ( 0.000 5.426 0.000) 5.426 6.898 ( 0.000 -13.449 0.000) 13.449 6.983 ( 0.000 -3.082 0.000) 3.082 7.301 ( 0.000 -7.577 0.000) 7.577 7.410 ( 0.000 3.086 0.000) 3.086 7.699 ( 0.000 7.896 0.000) 7.896 8.098 ( 0.000 -3.102 0.000) 3.102 8.315 ( 0.000 2.963 0.000) 2.963 8.424 ( 0.000 1.357 0.000) 1.357 8.564 ( 0.000 0.346 0.000) 0.346 8.636 ( 0.000 3.778 0.000) 3.778 8.814 ( 0.000 -0.526 0.000) 0.526 8.882 ( 0.000 -11.325 0.000) 11.325 9.228 ( 0.000 -1.914 0.000) 1.914 9.389 ( 0.000 -5.026 0.000) 5.026 9.456 ( 0.000 -13.041 0.000) 13.041 10.179 ( 0.000 2.010 0.000) 2.010 10.461 ( 0.000 8.046 0.000) 8.046 10.495 ( 0.000 2.488 0.000) 2.488 10.644 ( 0.000 -4.261 0.000) 4.261 10.825 ( 0.000 6.815 0.000) 6.815 11.330 ( 0.000 2.591 0.000) 2.591 11.588 ( 0.000 -2.398 0.000) 2.398 11.685 ( 0.000 -2.482 0.000) 2.482 11.895 ( 0.000 26.766 0.000) 26.766 12.727 ( 0.000 7.465 0.000) 7.465 13.317 ( 0.000 -0.489 0.000) 0.489 13.468 ( 0.000 -3.114 0.000) 3.114 13.735 ( 0.000 -7.066 0.000) 7.066 13.819 ( 0.000 11.080 0.000) 11.080 15.093 ( 0.000 -11.434 0.000) 11.434 15.104 ( 0.000 3.258 0.000) 3.258 15.464 ( 0.000 -2.391 0.000) 2.391 15.659 ( 0.000 -24.656 0.000) 24.656 16.089 ( 0.000 1.730 0.000) 1.730 16.334 ( 0.000 -1.739 0.000) 1.739 16.570 ( 0.000 1.330 0.000) 1.330 17.226 ( 0.000 -5.390 0.000) 5.390 18.140 ( 0.000 4.554 0.000) 4.554 18.716 ( 0.000 -3.663 0.000) 3.663 19.373 ( 0.000 12.188 0.000) 12.188 19.989 ( 0.000 -0.020 0.000) 0.020 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 15.260 23.458 0.000) 27.984 0.969 ( 17.739 25.607 0.000) 31.151 1.798 ( 33.562 45.687 0.000) 56.689 2.782 ( 0.395 -3.775 0.000) 3.796 2.885 ( 0.346 -9.854 0.000) 9.860 3.311 ( 2.248 -1.797 0.000) 2.878 3.477 ( -3.197 0.151 0.000) 3.201 3.581 ( -2.694 7.367 0.000) 7.844 4.158 ( -10.359 -8.674 0.000) 13.511 4.292 ( -2.823 -8.588 0.000) 9.040 4.415 ( -20.209 0.045 0.000) 20.209 4.537 ( -9.839 -6.456 0.000) 11.768 5.025 ( 5.590 6.700 0.000) 8.726 5.155 ( 5.313 -4.825 0.000) 7.177 5.316 ( 9.596 -0.347 0.000) 9.602 5.389 ( 4.650 -3.067 0.000) 5.570 5.660 ( -1.777 11.726 0.000) 11.859 5.741 ( 1.097 13.430 0.000) 13.475 6.548 ( 9.264 3.223 0.000) 9.809 6.978 ( 0.215 -3.381 0.000) 3.388 6.997 ( 5.726 -15.587 0.000) 16.605 7.167 ( -8.553 -4.491 0.000) 9.660 7.498 ( 4.111 0.105 0.000) 4.112 7.706 ( 0.228 7.688 0.000) 7.692 8.019 ( -10.145 10.018 0.000) 14.258 8.104 ( 0.533 -2.835 0.000) 2.884 8.362 ( -6.081 -0.874 0.000) 6.143 8.517 ( -1.121 3.376 0.000) 3.557 8.528 ( -9.173 0.757 0.000) 9.204 8.873 ( 3.688 -0.133 0.000) 3.690 8.896 ( 0.050 -7.550 0.000) 7.550 9.421 ( 6.165 -0.899 0.000) 6.230 9.429 ( -2.630 -14.198 0.000) 14.440 9.917 ( 29.614 -22.224 0.000) 37.025 10.145 ( -3.009 3.476 0.000) 4.597 10.460 ( 0.288 8.037 0.000) 8.042 10.565 ( -6.629 -3.090 0.000) 7.314 10.597 ( 9.988 2.263 0.000) 10.241 10.797 ( -2.558 7.605 0.000) 8.023 11.465 ( 11.688 0.751 0.000) 11.712 11.666 ( 0.799 -0.370 0.000) 0.880 11.824 ( 18.748 -0.344 0.000) 18.751 11.983 ( 8.412 24.869 0.000) 26.253 12.697 ( 3.766 10.041 0.000) 10.723 13.264 ( -5.448 0.164 0.000) 5.450 13.401 ( -6.333 -3.500 0.000) 7.236 13.750 ( 1.778 -7.079 0.000) 7.299 13.871 ( 5.483 10.711 0.000) 12.033 14.801 ( -10.653 14.195 0.000) 17.748 15.137 ( 4.212 -11.021 0.000) 11.798 15.687 ( -0.215 -8.474 0.000) 8.477 15.702 ( 3.961 -23.962 0.000) 24.287 15.890 ( -11.390 0.754 0.000) 11.415 16.432 ( 3.967 -15.553 0.000) 16.051 16.491 ( -7.809 0.742 0.000) 7.844 17.146 ( -7.974 -5.354 0.000) 9.604 18.307 ( 15.003 3.900 0.000) 15.502 18.720 ( 1.162 3.091 0.000) 3.302 19.355 ( -1.739 12.241 0.000) 12.364 19.969 ( -2.002 0.005 0.000) 2.002 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 25.212 0.381 0.000) 25.215 1.388 ( 22.462 13.998 0.000) 26.466 2.386 ( 20.587 30.073 0.000) 36.445 2.793 ( 0.711 -7.844 0.000) 7.877 2.980 ( 9.396 -7.633 0.000) 12.105 3.365 ( 2.451 -4.751 0.000) 5.346 3.376 ( -6.077 -4.070 0.000) 7.314 3.506 ( -4.585 7.305 0.000) 8.625 3.895 ( -14.543 -9.955 0.000) 17.624 4.027 ( -16.636 3.374 0.000) 16.975 4.232 ( -4.098 -7.821 0.000) 8.829 4.273 ( -15.344 -2.118 0.000) 15.489 5.049 ( -7.619 -3.157 0.000) 8.247 5.134 ( 4.018 11.059 0.000) 11.766 5.473 ( 2.427 9.815 0.000) 10.110 5.587 ( 16.823 -0.620 0.000) 16.834 5.809 ( 6.788 10.598 0.000) 12.586 5.907 ( 20.114 -0.053 0.000) 20.114 6.749 ( 9.143 -2.318 0.000) 9.433 6.992 ( -9.302 -4.815 0.000) 10.474 7.006 ( 2.223 -2.001 0.000) 2.991 7.107 ( 5.582 -12.228 0.000) 13.442 7.538 ( -0.536 3.033 0.000) 3.080 7.679 ( -3.221 5.125 0.000) 6.053 7.901 ( -3.997 5.749 0.000) 7.002 8.114 ( 0.016 -2.769 0.000) 2.769 8.219 ( -7.750 -1.108 0.000) 7.829 8.316 ( -10.917 -0.863 0.000) 10.951 8.527 ( 2.594 1.468 0.000) 2.980 8.865 ( -2.784 -5.377 0.000) 6.055 8.934 ( 2.343 -1.082 0.000) 2.581 9.355 ( -4.585 -14.444 0.000) 15.155 9.552 ( 6.277 3.879 0.000) 7.379 10.073 ( -3.930 6.250 0.000) 7.383 10.257 ( 6.391 -11.669 0.000) 13.305 10.422 ( -6.998 -2.191 0.000) 7.333 10.499 ( 4.212 8.192 0.000) 9.212 10.731 ( -3.855 9.582 0.000) 10.329 10.866 ( 15.751 5.613 0.000) 16.721 11.663 ( 2.014 4.002 0.000) 4.480 11.739 ( 14.527 -1.431 0.000) 14.597 12.195 ( 11.067 18.896 0.000) 21.898 12.380 ( 33.202 -3.993 0.000) 33.441 12.899 ( 13.038 4.646 0.000) 13.841 13.095 ( -11.499 1.269 0.000) 11.568 13.255 ( -6.088 -2.673 0.000) 6.649 13.873 ( 13.189 -7.678 0.000) 15.261 14.035 ( 10.296 9.437 0.000) 13.967 14.676 ( -4.400 6.411 0.000) 7.775 15.248 ( 6.404 -10.050 0.000) 11.917 15.358 ( -22.948 7.430 0.000) 24.120 15.797 ( 4.377 -19.473 0.000) 19.959 15.818 ( -1.873 -6.465 0.000) 6.731 16.260 ( -14.633 -3.259 0.000) 14.991 16.453 ( -1.260 -21.259 0.000) 21.296 16.901 ( -16.526 -5.273 0.000) 17.347 18.665 ( 18.829 2.874 0.000) 19.047 18.774 ( 4.361 7.699 0.000) 8.849 19.304 ( -3.393 12.354 0.000) 12.812 19.906 ( -4.284 0.089 0.000) 4.285 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 21.700 -10.678 0.000) 24.185 1.829 ( 20.585 5.307 0.000) 21.259 2.660 ( 10.085 15.840 0.000) 18.778 2.811 ( 1.019 -11.398 0.000) 11.443 3.074 ( -3.058 1.950 0.000) 3.627 3.293 ( -2.589 -16.497 0.000) 16.699 3.333 ( -8.835 -9.484 0.000) 12.962 3.401 ( -5.265 4.189 0.000) 6.728 3.667 ( -5.543 -5.825 0.000) 8.040 3.754 ( -10.629 3.815 0.000) 11.293 3.978 ( -12.166 0.639 0.000) 12.183 4.137 ( -5.821 -4.848 0.000) 7.575 5.017 ( 4.669 5.566 0.000) 7.265 5.165 ( -0.552 17.230 0.000) 17.239 5.546 ( 7.414 12.580 0.000) 14.602 5.947 ( 17.400 -0.061 0.000) 17.400 6.049 ( 17.347 5.613 0.000) 18.233 6.311 ( 17.966 -0.644 0.000) 17.978 6.761 ( -14.627 -2.593 0.000) 14.855 6.880 ( 3.614 -4.899 0.000) 6.088 7.020 ( -2.559 -0.706 0.000) 2.655 7.205 ( 4.146 -11.336 0.000) 12.070 7.441 ( -9.024 2.649 0.000) 9.405 7.604 ( -4.308 1.985 0.000) 4.743 7.844 ( -0.915 4.880 0.000) 4.965 8.053 ( -6.976 -2.788 0.000) 7.513 8.080 ( -5.040 -0.236 0.000) 5.045 8.157 ( -3.482 -0.215 0.000) 3.489 8.621 ( 6.243 -3.121 0.000) 6.980 8.814 ( -1.682 -6.046 0.000) 6.276 8.970 ( 1.433 -1.458 0.000) 2.044 9.245 ( -6.350 -11.461 0.000) 13.103 9.669 ( 5.580 6.753 0.000) 8.760 9.988 ( -4.533 8.343 0.000) 9.495 10.281 ( -1.551 -5.008 0.000) 5.242 10.300 ( -4.761 -1.972 0.000) 5.153 10.566 ( 1.222 13.704 0.000) 13.758 10.652 ( -3.738 12.390 0.000) 12.941 11.229 ( 20.357 5.576 0.000) 21.107 11.793 ( 10.485 0.224 0.000) 10.488 12.001 ( 9.526 -2.059 0.000) 9.746 12.341 ( 2.465 9.021 0.000) 9.351 12.812 ( 2.779 -10.696 0.000) 11.051 12.813 ( -15.706 -2.199 0.000) 15.859 13.266 ( 9.081 4.174 0.000) 9.995 13.368 ( 39.109 7.525 0.000) 39.826 14.260 ( 11.559 8.172 0.000) 14.156 14.281 ( 17.154 -9.978 0.000) 19.845 14.579 ( 0.749 1.039 0.000) 1.281 14.939 ( -15.802 14.156 0.000) 21.216 15.373 ( 4.755 -8.965 0.000) 10.148 15.702 ( -18.883 4.533 0.000) 19.420 15.760 ( -3.800 -5.268 0.000) 6.496 16.067 ( 1.100 -25.958 0.000) 25.981 16.399 ( -3.911 -23.102 0.000) 23.431 16.481 ( -25.244 -5.229 0.000) 25.780 18.864 ( 5.745 9.981 0.000) 11.516 19.049 ( 17.659 1.938 0.000) 17.765 19.220 ( -4.862 12.395 0.000) 13.314 19.793 ( -7.062 0.259 0.000) 7.067 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 11.656 -13.232 0.000) 17.633 2.167 ( 10.950 -4.201 0.000) 11.728 2.783 ( 0.479 6.586 0.000) 6.604 2.810 ( -2.190 -5.838 0.000) 6.236 3.058 ( 5.829 7.274 0.000) 9.322 3.136 ( -5.200 -14.012 0.000) 14.945 3.197 ( -5.445 -21.942 0.000) 22.607 3.263 ( -8.742 2.767 0.000) 9.169 3.596 ( -3.200 -1.282 0.000) 3.447 3.598 ( -4.284 0.965 0.000) 4.391 3.880 ( 2.715 -2.438 0.000) 3.649 3.998 ( -7.375 -3.992 0.000) 8.386 5.110 ( 2.560 18.083 0.000) 18.263 5.141 ( -1.288 20.643 0.000) 20.684 5.862 ( 23.066 7.654 0.000) 24.303 6.261 ( 8.629 0.018 0.000) 8.629 6.352 ( -7.554 5.617 0.000) 9.414 6.489 ( 11.322 0.026 0.000) 11.322 6.498 ( -2.615 1.425 0.000) 2.978 6.825 ( -13.630 -0.892 0.000) 13.660 6.994 ( 8.172 -2.644 0.000) 8.590 7.223 ( -11.984 -1.624 0.000) 12.093 7.312 ( 7.060 -11.411 0.000) 13.418 7.475 ( -8.254 -4.599 0.000) 9.449 7.867 ( 2.479 4.713 0.000) 5.325 7.931 ( -4.266 1.937 0.000) 4.686 8.045 ( 1.372 -0.212 0.000) 1.389 8.099 ( -3.100 -0.585 0.000) 3.154 8.743 ( 4.870 -7.868 0.000) 9.253 8.795 ( -0.870 -7.726 0.000) 7.775 9.007 ( 2.987 -1.675 0.000) 3.424 9.109 ( -6.701 -6.270 0.000) 9.177 9.781 ( 5.566 8.203 0.000) 9.913 9.890 ( -5.217 8.920 0.000) 10.333 10.239 ( -1.310 -2.103 0.000) 2.478 10.244 ( -1.523 -3.138 0.000) 3.488 10.570 ( 0.104 17.522 0.000) 17.522 10.591 ( -2.105 15.623 0.000) 15.764 11.647 ( 20.134 2.213 0.000) 20.255 11.984 ( -11.505 -0.479 0.000) 11.515 12.055 ( 14.954 1.372 0.000) 15.017 12.335 ( -8.195 9.251 0.000) 12.359 12.580 ( -0.024 -12.937 0.000) 12.937 12.721 ( -8.352 -10.068 0.000) 13.082 13.594 ( 21.410 5.477 0.000) 22.099 14.050 ( -20.870 -1.338 0.000) 20.913 14.231 ( 40.021 6.381 0.000) 40.526 14.478 ( 9.482 7.500 0.000) 12.089 14.693 ( -6.917 9.853 0.000) 12.038 15.059 ( -34.357 4.475 0.000) 34.647 15.146 ( 35.545 -3.262 0.000) 35.694 15.543 ( 3.554 -4.587 0.000) 5.802 15.673 ( -4.490 -5.351 0.000) 6.986 15.882 ( -31.398 -6.070 0.000) 31.979 16.181 ( 5.768 -25.799 0.000) 26.436 16.302 ( -5.636 -24.639 0.000) 25.275 18.987 ( 6.307 11.449 0.000) 13.072 19.111 ( -5.943 12.167 0.000) 13.541 19.371 ( 14.243 1.091 0.000) 14.284 19.619 ( -10.441 0.569 0.000) 10.456 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 31.287 0.000) 31.287 1.527 ( 0.000 31.609 0.000) 31.609 2.546 ( 0.000 40.180 0.000) 40.180 2.574 ( 0.000 -16.655 0.000) 16.655 2.624 ( 0.000 -7.097 0.000) 7.097 3.404 ( 0.000 11.164 0.000) 11.164 3.540 ( 0.000 0.831 0.000) 0.831 3.813 ( 0.000 10.746 0.000) 10.746 4.042 ( 0.000 -12.192 0.000) 12.192 4.132 ( 0.000 -6.901 0.000) 6.901 4.404 ( 0.000 -12.601 0.000) 12.601 4.551 ( 0.000 -19.553 0.000) 19.553 4.902 ( 0.000 5.644 0.000) 5.644 5.080 ( 0.000 4.835 0.000) 4.835 5.202 ( 0.000 -1.198 0.000) 1.198 5.209 ( 0.000 -7.190 0.000) 7.190 5.983 ( 0.000 7.956 0.000) 7.956 6.145 ( 0.000 22.560 0.000) 22.560 6.503 ( 0.000 -12.660 0.000) 12.660 6.622 ( 0.000 2.389 0.000) 2.389 6.892 ( 0.000 -5.174 0.000) 5.174 7.053 ( 0.000 -15.361 0.000) 15.361 7.545 ( 0.000 9.216 0.000) 9.216 7.915 ( 0.000 11.835 0.000) 11.835 7.986 ( 0.000 -7.451 0.000) 7.451 8.389 ( 0.000 3.350 0.000) 3.350 8.449 ( 0.000 0.630 0.000) 0.630 8.566 ( 0.000 -16.685 0.000) 16.685 8.606 ( 0.000 3.600 0.000) 3.600 8.741 ( 0.000 5.816 0.000) 5.816 8.783 ( 0.000 -2.546 0.000) 2.546 9.146 ( 0.000 -13.881 0.000) 13.881 9.190 ( 0.000 -0.971 0.000) 0.971 9.280 ( 0.000 -4.591 0.000) 4.591 10.251 ( 0.000 4.685 0.000) 4.685 10.523 ( 0.000 -6.580 0.000) 6.580 10.569 ( 0.000 4.025 0.000) 4.025 10.615 ( 0.000 4.774 0.000) 4.774 11.021 ( 0.000 10.546 0.000) 10.546 11.352 ( 0.000 -1.695 0.000) 1.695 11.537 ( 0.000 -1.581 0.000) 1.581 11.614 ( 0.000 -3.737 0.000) 3.737 12.646 ( 0.000 40.020 0.000) 40.020 12.950 ( 0.000 12.548 0.000) 12.548 13.302 ( 0.000 -0.912 0.000) 0.912 13.415 ( 0.000 -0.535 0.000) 0.535 13.525 ( 0.000 -11.828 0.000) 11.828 14.135 ( 0.000 17.575 0.000) 17.575 14.640 ( 0.000 -33.847 0.000) 33.847 15.033 ( 0.000 -26.313 0.000) 26.313 15.193 ( 0.000 4.688 0.000) 4.688 15.393 ( 0.000 -3.992 0.000) 3.992 16.142 ( 0.000 2.969 0.000) 2.969 16.282 ( 0.000 -2.952 0.000) 2.952 16.671 ( 0.000 7.390 0.000) 7.390 17.067 ( 0.000 -8.880 0.000) 8.880 18.273 ( 0.000 7.394 0.000) 7.394 18.604 ( 0.000 -6.549 0.000) 6.549 19.655 ( 0.000 12.317 0.000) 12.317 19.968 ( 0.000 -2.325 0.000) 2.325 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 0.320 30.462 0.000) 30.464 1.567 ( 7.727 27.919 0.000) 28.969 2.575 ( -0.098 -15.698 0.000) 15.698 2.589 ( -1.847 -17.143 0.000) 17.242 2.768 ( 17.262 39.782 0.000) 43.366 3.363 ( -3.463 7.276 0.000) 8.058 3.480 ( -5.986 -0.445 0.000) 6.002 3.778 ( -4.732 6.949 0.000) 8.407 3.930 ( -8.986 -8.266 0.000) 12.209 4.116 ( -0.986 -5.223 0.000) 5.315 4.350 ( -5.706 -10.509 0.000) 11.958 4.375 ( -12.874 -5.066 0.000) 13.835 5.042 ( 4.325 -3.460 0.000) 5.539 5.165 ( 7.907 5.519 0.000) 9.643 5.248 ( 8.566 -9.348 0.000) 12.679 5.300 ( 9.516 -1.230 0.000) 9.596 5.933 ( -2.041 12.217 0.000) 12.387 6.136 ( -0.744 21.615 0.000) 21.627 6.521 ( 1.328 -13.078 0.000) 13.145 6.726 ( 9.223 0.032 0.000) 9.223 6.911 ( 2.177 -3.758 0.000) 4.343 6.975 ( -6.616 -13.248 0.000) 14.808 7.593 ( 3.887 8.087 0.000) 8.973 7.902 ( -1.658 10.160 0.000) 10.295 8.002 ( 1.250 -6.409 0.000) 6.529 8.184 ( -10.968 5.869 0.000) 12.439 8.339 ( -7.912 -1.577 0.000) 8.067 8.451 ( -9.388 -9.923 0.000) 13.660 8.605 ( -0.982 5.024 0.000) 5.119 8.777 ( 1.453 -0.366 0.000) 1.499 8.834 ( 2.149 -3.633 0.000) 4.221 9.105 ( -3.506 -14.009 0.000) 14.441 9.420 ( 12.999 0.925 0.000) 13.032 9.595 ( 27.087 -9.187 0.000) 28.603 10.231 ( -1.843 4.590 0.000) 4.946 10.470 ( -4.735 -5.421 0.000) 7.198 10.608 ( 2.374 4.645 0.000) 5.216 10.655 ( 6.529 2.775 0.000) 7.095 11.019 ( -0.087 12.191 0.000) 12.192 11.440 ( 8.147 -3.930 0.000) 9.046 11.656 ( 9.574 0.567 0.000) 9.591 11.787 ( 17.264 -3.176 0.000) 17.554 12.677 ( 2.288 35.672 0.000) 35.745 12.938 ( 0.589 12.679 0.000) 12.693 13.278 ( -2.193 -0.836 0.000) 2.347 13.340 ( -6.827 2.128 0.000) 7.151 13.533 ( 1.278 -12.422 0.000) 12.488 14.173 ( 3.923 15.816 0.000) 16.295 14.710 ( 6.575 -31.260 0.000) 31.944 15.055 ( -9.708 9.749 0.000) 13.758 15.079 ( 4.357 -26.380 0.000) 26.738 15.455 ( 2.243 -10.464 0.000) 10.701 15.978 ( -13.603 5.516 0.000) 14.679 16.226 ( -5.387 -6.376 0.000) 8.347 16.589 ( -8.179 7.451 0.000) 11.064 16.988 ( -7.944 -8.887 0.000) 11.920 18.422 ( 13.445 6.395 0.000) 14.889 18.692 ( 7.630 -4.312 0.000) 8.765 19.638 ( -1.705 12.302 0.000) 12.420 19.949 ( -1.918 -2.276 0.000) 2.977 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 7.497 20.996 0.000) 22.294 1.769 ( 11.516 19.797 0.000) 22.903 2.559 ( -1.691 -13.899 0.000) 14.001 2.574 ( 1.222 -16.332 0.000) 16.378 3.069 ( 8.917 15.975 0.000) 18.295 3.296 ( -2.873 -0.275 0.000) 2.886 3.304 ( -11.171 -2.349 0.000) 11.416 3.569 ( -14.166 -7.726 0.000) 16.136 3.787 ( -5.726 6.550 0.000) 8.700 4.081 ( -8.830 1.884 0.000) 9.029 4.143 ( -4.181 0.999 0.000) 4.299 4.176 ( -11.222 -6.792 0.000) 13.117 5.035 ( 2.157 3.833 0.000) 4.399 5.362 ( 10.682 8.696 0.000) 13.774 5.560 ( 16.675 -6.695 0.000) 17.969 5.564 ( 16.166 -1.740 0.000) 16.259 5.983 ( 8.169 9.388 0.000) 12.445 6.136 ( 1.533 18.400 0.000) 18.464 6.559 ( 2.781 -14.984 0.000) 15.240 6.828 ( -7.513 -10.492 0.000) 12.905 6.923 ( 8.207 -1.245 0.000) 8.301 6.983 ( 4.703 -1.835 0.000) 5.048 7.659 ( 1.291 7.906 0.000) 8.011 7.822 ( -6.931 8.025 0.000) 10.604 8.022 ( 0.311 -5.874 0.000) 5.883 8.022 ( -5.903 5.163 0.000) 7.843 8.185 ( -7.280 -2.226 0.000) 7.613 8.236 ( -10.961 -7.295 0.000) 13.167 8.590 ( -0.002 4.529 0.000) 4.529 8.763 ( -2.600 -2.129 0.000) 3.360 8.856 ( 0.668 -5.683 0.000) 5.722 9.038 ( -2.641 -13.506 0.000) 13.762 9.680 ( 11.075 7.189 0.000) 13.204 10.018 ( 13.204 -9.483 0.000) 16.256 10.185 ( -2.603 4.254 0.000) 4.987 10.358 ( -5.935 -3.616 0.000) 6.950 10.688 ( 7.098 7.806 0.000) 10.551 10.910 ( 17.944 -1.332 0.000) 17.994 11.020 ( 0.158 16.280 0.000) 16.281 11.646 ( 11.608 -8.120 0.000) 14.166 11.811 ( 4.483 9.438 0.000) 10.449 12.247 ( 24.278 -8.168 0.000) 25.615 12.675 ( -4.217 20.459 0.000) 20.889 13.063 ( 13.709 10.574 0.000) 17.313 13.107 ( -13.634 -3.887 0.000) 14.177 13.319 ( 5.474 16.519 0.000) 17.403 13.643 ( 12.375 -13.010 0.000) 17.956 14.292 ( 7.606 11.838 0.000) 14.071 14.860 ( -9.750 10.228 0.000) 14.131 14.881 ( 9.843 -25.710 0.000) 27.530 15.199 ( 7.413 -26.460 0.000) 27.478 15.398 ( -9.129 -9.219 0.000) 12.974 15.721 ( -9.202 3.633 0.000) 9.893 16.094 ( -7.244 -11.572 0.000) 13.652 16.337 ( -17.053 7.692 0.000) 18.708 16.743 ( -16.507 -8.922 0.000) 18.764 18.746 ( 17.425 4.324 0.000) 17.953 18.867 ( 9.298 0.881 0.000) 9.340 19.587 ( -3.447 12.196 0.000) 12.674 19.890 ( -4.079 -2.104 0.000) 4.590 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 11.207 8.919 0.000) 14.323 1.989 ( 9.249 9.208 0.000) 13.051 2.518 ( -1.613 -14.488 0.000) 14.577 2.642 ( 4.568 -19.564 0.000) 20.090 3.048 ( -11.016 -0.903 0.000) 11.053 3.126 ( -2.509 0.909 0.000) 2.668 3.187 ( -10.160 -2.910 0.000) 10.568 3.360 ( -3.876 -7.305 0.000) 8.269 3.669 ( -5.674 5.842 0.000) 8.144 3.842 ( -11.585 5.484 0.000) 12.817 3.937 ( -11.059 -4.137 0.000) 11.807 4.068 ( -6.660 -2.677 0.000) 7.178 5.262 ( 18.346 17.197 0.000) 25.146 5.548 ( 6.797 15.739 0.000) 17.144 5.800 ( 8.635 7.289 0.000) 11.300 5.917 ( 17.900 -2.976 0.000) 18.146 6.238 ( 9.572 11.449 0.000) 14.923 6.283 ( 19.168 -1.331 0.000) 19.214 6.645 ( 6.166 -15.789 0.000) 16.950 6.676 ( -7.881 -5.669 0.000) 9.708 6.992 ( -1.635 -0.901 0.000) 1.867 7.045 ( -0.427 -3.086 0.000) 3.115 7.527 ( -15.096 5.399 0.000) 16.032 7.654 ( -10.669 2.054 0.000) 10.865 7.943 ( -1.511 4.076 0.000) 4.347 7.989 ( -2.820 -2.769 0.000) 3.952 8.064 ( -4.130 -1.403 0.000) 4.361 8.095 ( -2.183 -5.794 0.000) 6.192 8.612 ( 1.969 2.552 0.000) 3.224 8.708 ( -2.124 -1.569 0.000) 2.641 8.873 ( 1.015 -6.724 0.000) 6.800 8.992 ( -2.297 -11.358 0.000) 11.588 9.850 ( 6.368 8.659 0.000) 10.748 10.127 ( -3.258 4.275 0.000) 5.374 10.153 ( 2.166 -6.182 0.000) 6.550 10.250 ( -4.480 -2.515 0.000) 5.138 10.884 ( 10.394 14.070 0.000) 17.493 11.028 ( 0.717 21.241 0.000) 21.253 11.319 ( 21.431 -0.891 0.000) 21.450 11.867 ( 3.252 9.472 0.000) 10.014 11.880 ( 10.832 -11.610 0.000) 15.878 12.501 ( -11.782 7.136 0.000) 13.775 12.537 ( 2.878 -14.574 0.000) 14.856 12.789 ( -17.457 -2.168 0.000) 17.591 13.525 ( 13.982 22.041 0.000) 26.102 13.560 ( 35.065 10.382 0.000) 36.570 14.064 ( 25.494 -10.635 0.000) 27.623 14.463 ( 9.034 7.327 0.000) 11.632 14.671 ( -6.961 8.046 0.000) 10.640 15.083 ( 9.696 -18.753 0.000) 21.111 15.158 ( -11.726 1.314 0.000) 11.799 15.365 ( 8.660 -26.667 0.000) 28.038 15.596 ( -5.126 -5.865 0.000) 7.789 15.904 ( -25.729 8.291 0.000) 27.032 15.941 ( -7.997 -15.873 0.000) 17.774 16.323 ( -25.322 -8.968 0.000) 26.863 19.045 ( 9.682 5.790 0.000) 11.282 19.097 ( 15.614 2.033 0.000) 15.746 19.499 ( -5.225 11.826 0.000) 12.929 19.783 ( -6.661 -1.726 0.000) 6.882 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 8.641 -0.135 0.000) 8.643 2.091 ( 0.088 -0.814 0.000) 0.819 2.535 ( 4.084 -18.334 0.000) 18.783 2.656 ( -5.275 -25.498 0.000) 26.037 2.909 ( -0.203 5.755 0.000) 5.759 2.993 ( -7.476 2.925 0.000) 8.028 3.137 ( 4.878 -1.281 0.000) 5.043 3.277 ( -6.633 -4.333 0.000) 7.923 3.594 ( -1.053 3.093 0.000) 3.267 3.650 ( -6.774 4.795 0.000) 8.300 3.811 ( 0.063 -4.254 0.000) 4.255 3.909 ( -7.825 -4.786 0.000) 9.173 5.565 ( 8.112 22.311 0.000) 23.740 5.622 ( 0.765 21.551 0.000) 21.565 6.036 ( 15.872 5.929 0.000) 16.943 6.210 ( 6.755 -5.477 0.000) 8.697 6.496 ( 5.939 6.459 0.000) 8.775 6.534 ( 5.130 4.194 0.000) 6.627 6.539 ( 1.498 2.562 0.000) 2.968 6.815 ( -5.510 0.142 0.000) 5.512 6.883 ( 7.721 -8.401 0.000) 11.410 7.045 ( 5.940 -11.050 0.000) 12.545 7.178 ( -17.147 -1.867 0.000) 17.248 7.345 ( -18.422 -7.247 0.000) 19.797 7.952 ( 1.266 3.015 0.000) 3.270 7.966 ( -0.250 1.316 0.000) 1.340 8.032 ( 0.732 -1.089 0.000) 1.312 8.065 ( -1.771 -2.696 0.000) 3.225 8.655 ( 1.890 0.194 0.000) 1.900 8.681 ( -0.939 -1.004 0.000) 1.375 8.899 ( 1.661 -7.229 0.000) 7.418 8.942 ( -2.549 -8.768 0.000) 9.131 9.959 ( 4.872 7.166 0.000) 8.665 10.051 ( -4.251 5.315 0.000) 6.806 10.168 ( 0.270 -3.724 0.000) 3.734 10.186 ( -1.850 -2.520 0.000) 3.126 11.029 ( 3.406 22.918 0.000) 23.169 11.045 ( 0.706 24.804 0.000) 24.815 11.729 ( 18.425 1.440 0.000) 18.481 11.993 ( -4.094 -5.463 0.000) 6.827 12.020 ( 12.675 -1.650 0.000) 12.782 12.281 ( -8.975 -7.795 0.000) 11.888 12.455 ( -11.508 0.422 0.000) 11.516 12.473 ( -6.193 -12.147 0.000) 13.635 13.839 ( 16.435 18.355 0.000) 24.638 14.115 ( -3.967 8.965 0.000) 9.804 14.419 ( 29.815 8.612 0.000) 31.034 14.636 ( 7.261 3.424 0.000) 8.028 14.809 ( 6.983 -1.197 0.000) 7.085 15.098 ( 18.489 -2.035 0.000) 18.601 15.147 ( -17.595 0.884 0.000) 17.617 15.392 ( -5.501 -12.438 0.000) 13.601 15.482 ( -6.370 -10.658 0.000) 12.417 15.553 ( 1.154 -15.999 0.000) 16.041 15.757 ( -26.328 -9.734 0.000) 28.069 15.773 ( -8.592 -18.834 0.000) 20.701 19.223 ( 8.316 9.073 0.000) 12.308 19.377 ( -6.928 10.914 0.000) 12.928 19.390 ( 13.100 0.191 0.000) 13.102 19.619 ( -9.729 -1.014 0.000) 9.782 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 0.000 -25.711 0.000) 25.711 2.106 ( 0.000 25.711 0.000) 25.711 2.146 ( 0.000 -25.273 0.000) 25.273 2.146 ( 0.000 25.273 0.000) 25.273 3.394 ( 0.000 -21.320 0.000) 21.320 3.394 ( 0.000 21.320 0.000) 21.320 3.703 ( 0.000 -14.990 0.000) 14.990 3.703 ( 0.000 14.990 0.000) 14.990 4.116 ( 0.000 -13.373 0.000) 13.373 4.116 ( 0.000 13.373 0.000) 13.373 4.137 ( 0.000 -11.672 0.000) 11.672 4.137 ( 0.000 11.672 0.000) 11.672 5.045 ( 0.000 -7.450 0.000) 7.450 5.045 ( 0.000 7.450 0.000) 7.450 5.161 ( 0.000 -2.693 0.000) 2.693 5.161 ( 0.000 2.693 0.000) 2.693 6.191 ( 0.000 -12.051 0.000) 12.051 6.191 ( 0.000 12.051 0.000) 12.051 6.643 ( 0.000 -21.997 0.000) 21.997 6.643 ( 0.000 21.997 0.000) 21.997 6.762 ( 0.000 -6.751 0.000) 6.751 6.762 ( 0.000 6.751 0.000) 6.751 7.778 ( 0.000 -11.237 0.000) 11.237 7.778 ( 0.000 11.237 0.000) 11.237 8.210 ( 0.000 -15.404 0.000) 15.404 8.210 ( 0.000 15.404 0.000) 15.404 8.442 ( 0.000 -1.384 0.000) 1.384 8.442 ( 0.000 1.384 0.000) 1.384 8.702 ( 0.000 -4.648 0.000) 4.648 8.702 ( 0.000 4.648 0.000) 4.648 8.896 ( 0.000 -9.010 0.000) 9.010 8.896 ( 0.000 9.010 0.000) 9.010 9.203 ( 0.000 -2.267 0.000) 2.267 9.203 ( 0.000 2.267 0.000) 2.267 10.376 ( 0.000 -6.632 0.000) 6.632 10.376 ( 0.000 6.632 0.000) 6.632 10.643 ( 0.000 -1.875 0.000) 1.875 10.643 ( 0.000 1.875 0.000) 1.875 11.239 ( 0.000 -8.460 0.000) 8.460 11.239 ( 0.000 8.460 0.000) 8.460 11.544 ( 0.000 -2.205 0.000) 2.205 11.544 ( 0.000 2.205 0.000) 2.205 13.242 ( 0.000 -13.854 0.000) 13.854 13.242 ( 0.000 13.854 0.000) 13.854 13.257 ( 0.000 -6.102 0.000) 6.102 13.257 ( 0.000 6.102 0.000) 6.102 13.752 ( 0.000 -40.274 0.000) 40.274 13.752 ( 0.000 40.274 0.000) 40.274 14.552 ( 0.000 -20.418 0.000) 20.418 14.552 ( 0.000 20.418 0.000) 20.418 15.297 ( 0.000 -4.739 0.000) 4.739 15.297 ( 0.000 4.739 0.000) 4.739 16.212 ( 0.000 -3.397 0.000) 3.397 16.212 ( 0.000 3.397 0.000) 3.397 16.861 ( 0.000 -9.659 0.000) 9.659 16.861 ( 0.000 9.659 0.000) 9.659 18.443 ( 0.000 -7.973 0.000) 7.973 18.443 ( 0.000 7.973 0.000) 7.973 19.869 ( 0.000 -7.167 0.000) 7.167 19.869 ( 0.000 7.167 0.000) 7.167 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -1.758 -25.365 0.000) 25.426 2.123 ( -1.758 25.365 0.000) 25.426 2.136 ( 2.734 -24.007 0.000) 24.162 2.136 ( 2.734 24.007 0.000) 24.162 3.372 ( -2.975 -13.580 0.000) 13.902 3.372 ( -2.975 13.580 0.000) 13.902 3.593 ( -9.714 -12.799 0.000) 16.068 3.593 ( -9.714 12.799 0.000) 16.068 4.096 ( -2.725 -12.524 0.000) 12.817 4.096 ( -2.725 12.524 0.000) 12.817 4.174 ( 2.317 -10.542 0.000) 10.793 4.174 ( 2.317 10.542 0.000) 10.793 5.062 ( 3.329 -5.712 0.000) 6.611 5.062 ( 3.329 5.712 0.000) 6.611 5.256 ( 9.097 -2.968 0.000) 9.570 5.256 ( 9.097 2.968 0.000) 9.570 6.200 ( 1.037 -13.428 0.000) 13.468 6.200 ( 1.037 13.428 0.000) 13.468 6.606 ( -3.337 -20.389 0.000) 20.660 6.606 ( -3.337 20.389 0.000) 20.660 6.816 ( 5.164 -4.965 0.000) 7.164 6.816 ( 5.164 4.965 0.000) 7.164 7.805 ( 2.455 -10.354 0.000) 10.641 7.805 ( 2.455 10.354 0.000) 10.641 8.172 ( -4.224 -13.599 0.000) 14.240 8.172 ( -4.224 13.599 0.000) 14.240 8.285 ( -9.767 -3.538 0.000) 10.388 8.285 ( -9.767 3.538 0.000) 10.388 8.727 ( 0.014 -5.790 0.000) 5.790 8.727 ( 0.014 5.790 0.000) 5.790 8.866 ( -2.616 -7.742 0.000) 8.173 8.866 ( -2.616 7.742 0.000) 8.173 9.466 ( 20.690 -3.539 0.000) 20.991 9.466 ( 20.690 3.539 0.000) 20.991 10.345 ( -2.889 -5.822 0.000) 6.499 10.345 ( -2.889 5.822 0.000) 6.499 10.673 ( 3.660 -1.408 0.000) 3.922 10.673 ( 3.660 1.408 0.000) 3.922 11.279 ( 3.835 -10.623 0.000) 11.294 11.279 ( 3.835 10.623 0.000) 11.294 11.705 ( 14.917 -3.672 0.000) 15.362 11.705 ( 14.917 3.672 0.000) 15.362 13.176 ( -7.694 -8.328 0.000) 11.338 13.176 ( -7.694 8.328 0.000) 11.338 13.237 ( 0.349 -14.373 0.000) 14.377 13.237 ( 0.349 14.373 0.000) 14.377 13.816 ( 5.882 -39.720 0.000) 40.153 13.816 ( 5.882 39.720 0.000) 40.153 14.608 ( 5.434 -19.245 0.000) 19.997 14.608 ( 5.434 19.245 0.000) 19.997 15.250 ( -4.651 -8.799 0.000) 9.953 15.250 ( -4.651 8.799 0.000) 9.953 16.100 ( -9.710 -5.627 0.000) 11.222 16.100 ( -9.710 5.627 0.000) 11.222 16.781 ( -8.017 -9.717 0.000) 12.598 16.781 ( -8.017 9.717 0.000) 12.598 18.568 ( 11.155 -6.665 0.000) 12.995 18.568 ( 11.155 6.665 0.000) 12.995 19.851 ( -1.797 -7.115 0.000) 7.338 19.851 ( -1.797 7.115 0.000) 7.338 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 0.515 -24.511 0.000) 24.517 2.105 ( 0.515 24.511 0.000) 24.517 2.198 ( 2.774 -18.983 0.000) 19.184 2.198 ( 2.774 18.983 0.000) 19.184 3.257 ( -8.105 -3.123 0.000) 8.686 3.257 ( -8.105 3.123 0.000) 8.686 3.375 ( -10.569 -7.303 0.000) 12.847 3.375 ( -10.569 7.303 0.000) 12.847 3.992 ( -7.553 -9.807 0.000) 12.378 3.992 ( -7.553 9.807 0.000) 12.378 4.149 ( -5.719 -2.116 0.000) 6.098 4.149 ( -5.719 2.116 0.000) 6.098 5.264 ( 17.358 -16.045 0.000) 23.637 5.264 ( 17.358 16.045 0.000) 23.637 5.501 ( 14.521 -4.383 0.000) 15.168 5.501 ( 14.521 4.383 0.000) 15.168 6.241 ( 3.294 -13.362 0.000) 13.762 6.241 ( 3.294 13.362 0.000) 13.762 6.532 ( -3.369 -16.762 0.000) 17.097 6.532 ( -3.369 16.762 0.000) 17.097 6.943 ( 6.260 -1.852 0.000) 6.528 6.943 ( 6.260 1.852 0.000) 6.528 7.853 ( 0.687 -9.093 0.000) 9.119 7.853 ( 0.687 9.093 0.000) 9.119 8.028 ( -9.232 -10.444 0.000) 13.939 8.028 ( -9.232 10.444 0.000) 13.939 8.120 ( -6.820 -3.781 0.000) 7.798 8.120 ( -6.820 3.781 0.000) 7.798 8.716 ( -0.464 -6.679 0.000) 6.695 8.716 ( -0.464 6.679 0.000) 6.695 8.813 ( -2.281 -6.698 0.000) 7.076 8.813 ( -2.281 6.698 0.000) 7.076 9.840 ( 13.973 -7.488 0.000) 15.853 9.840 ( 13.973 7.488 0.000) 15.853 10.273 ( -3.977 -4.059 0.000) 5.683 10.273 ( -3.977 4.059 0.000) 5.683 10.831 ( 12.774 -5.426 0.000) 13.878 10.831 ( 12.774 5.426 0.000) 13.878 11.381 ( 5.979 -15.668 0.000) 16.770 11.381 ( 5.979 15.668 0.000) 16.770 12.039 ( 14.445 -10.697 0.000) 17.975 12.039 ( 14.445 10.697 0.000) 17.975 12.966 ( -12.846 -8.635 0.000) 15.478 12.966 ( -12.846 8.635 0.000) 15.478 13.339 ( 12.919 -14.224 0.000) 19.215 13.339 ( 12.919 14.224 0.000) 19.215 13.968 ( 8.877 -37.138 0.000) 38.184 13.968 ( 8.877 37.138 0.000) 38.184 14.761 ( 9.458 -15.973 0.000) 18.563 14.761 ( 9.458 15.973 0.000) 18.563 15.115 ( -8.515 -13.320 0.000) 15.809 15.115 ( -8.515 13.320 0.000) 15.809 15.885 ( -10.741 -8.836 0.000) 13.908 15.885 ( -10.741 8.836 0.000) 13.908 16.535 ( -16.661 -9.904 0.000) 19.382 16.535 ( -16.661 9.904 0.000) 19.382 18.834 ( 14.269 -3.343 0.000) 14.656 18.834 ( 14.269 3.343 0.000) 14.656 19.796 ( -3.753 -6.907 0.000) 7.861 19.796 ( -3.753 6.907 0.000) 7.861 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 2.666 -22.177 0.000) 22.337 2.143 ( 2.666 22.177 0.000) 22.337 2.222 ( -0.534 -12.364 0.000) 12.376 2.222 ( -0.534 12.364 0.000) 12.376 3.092 ( -6.762 -2.961 0.000) 7.381 3.092 ( -6.762 2.961 0.000) 7.382 3.213 ( -5.271 -4.820 0.000) 7.143 3.213 ( -5.271 4.820 0.000) 7.143 3.815 ( -8.892 -6.710 0.000) 11.139 3.815 ( -8.892 6.710 0.000) 11.139 3.976 ( -10.180 -5.836 0.000) 11.734 3.976 ( -10.180 5.836 0.000) 11.734 5.681 ( 20.875 -17.488 0.000) 27.232 5.681 ( 20.875 17.488 0.000) 27.232 5.803 ( 14.304 -8.005 0.000) 16.392 5.803 ( 14.304 8.005 0.000) 16.392 6.356 ( 9.327 -9.086 0.000) 13.021 6.356 ( 9.327 9.086 0.000) 13.021 6.497 ( 0.569 -10.961 0.000) 10.975 6.497 ( 0.569 10.961 0.000) 10.975 7.001 ( -1.913 -1.415 0.000) 2.379 7.001 ( -1.913 1.415 0.000) 2.379 7.647 ( -19.263 -3.825 0.000) 19.639 7.647 ( -19.263 3.825 0.000) 19.639 7.973 ( 1.879 -2.785 0.000) 3.359 7.973 ( 1.879 2.785 0.000) 3.359 8.018 ( -2.865 -2.788 0.000) 3.998 8.018 ( -2.865 2.788 0.000) 3.998 8.719 ( 0.701 -6.733 0.000) 6.769 8.719 ( 0.701 6.733 0.000) 6.769 8.779 ( -1.174 -7.487 0.000) 7.578 8.779 ( -1.174 7.487 0.000) 7.578 10.016 ( 4.844 -6.739 0.000) 8.299 10.016 ( 4.844 6.739 0.000) 8.299 10.195 ( -3.584 -2.581 0.000) 4.417 10.195 ( -3.584 2.581 0.000) 4.417 11.162 ( 18.602 -11.402 0.000) 21.818 11.162 ( 18.602 11.402 0.000) 21.818 11.506 ( 6.065 -21.302 0.000) 22.149 11.506 ( 6.065 21.302 0.000) 22.149 12.187 ( 1.154 -17.201 0.000) 17.239 12.187 ( 1.154 17.201 0.000) 17.239 12.674 ( -15.839 -7.764 0.000) 17.639 12.674 ( -15.839 7.764 0.000) 17.639 13.812 ( 31.997 -12.292 0.000) 34.276 13.812 ( 31.997 12.292 0.000) 34.276 14.161 ( 10.030 -32.284 0.000) 33.806 14.161 ( 10.030 32.284 0.000) 33.806 14.931 ( -8.949 -15.101 0.000) 17.553 14.931 ( -8.949 15.101 0.000) 17.553 14.971 ( 10.966 -11.689 0.000) 16.027 14.971 ( 10.966 11.689 0.000) 16.027 15.681 ( -9.708 -9.624 0.000) 13.670 15.681 ( -9.708 9.624 0.000) 13.670 16.111 ( -25.342 -10.142 0.000) 27.297 16.111 ( -25.342 10.142 0.000) 27.297 19.114 ( 13.264 -0.889 0.000) 13.294 19.114 ( 13.264 0.889 0.000) 13.294 19.699 ( -5.972 -6.401 0.000) 8.754 19.699 ( -5.972 6.401 0.000) 8.754 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.800 -16.565 0.000) 16.584 2.180 ( 0.800 16.565 0.000) 16.584 2.196 ( -1.283 -10.983 0.000) 11.058 2.196 ( -1.283 10.983 0.000) 11.058 3.042 ( 2.125 -6.132 0.000) 6.490 3.042 ( 2.125 6.132 0.000) 6.490 3.128 ( -4.547 -7.857 0.000) 9.077 3.128 ( -4.547 7.857 0.000) 9.077 3.700 ( -0.946 -5.631 0.000) 5.710 3.700 ( -0.946 5.631 0.000) 5.710 3.783 ( -8.058 -6.563 0.000) 10.393 3.783 ( -8.058 6.563 0.000) 10.393 5.980 ( 7.744 -12.878 0.000) 15.027 5.980 ( 7.744 12.878 0.000) 15.027 6.009 ( 4.737 -13.516 0.000) 14.322 6.009 ( 4.737 13.516 0.000) 14.322 6.589 ( 8.826 -1.203 0.000) 8.908 6.589 ( 8.826 1.203 0.000) 8.908 6.648 ( 16.000 -8.637 0.000) 18.183 6.648 ( 16.000 8.637 0.000) 18.183 6.882 ( -5.268 -4.922 0.000) 7.210 6.882 ( -5.268 4.922 0.000) 7.210 7.198 ( -24.105 -4.678 0.000) 24.555 7.198 ( -24.105 4.678 0.000) 24.555 8.001 ( 0.409 -1.711 0.000) 1.759 8.001 ( 0.409 1.711 0.000) 1.759 8.003 ( 0.664 -2.438 0.000) 2.527 8.003 ( 0.664 2.438 0.000) 2.527 8.738 ( 1.081 -6.633 0.000) 6.721 8.738 ( 1.081 6.633 0.000) 6.721 8.759 ( -0.993 -7.183 0.000) 7.252 8.759 ( -0.993 7.183 0.000) 7.252 10.082 ( 2.439 -4.476 0.000) 5.097 10.082 ( 2.439 4.476 0.000) 5.097 10.132 ( -2.733 -2.711 0.000) 3.850 10.132 ( -2.733 2.711 0.000) 3.850 11.497 ( 12.389 -19.075 0.000) 22.745 11.497 ( 12.389 19.075 0.000) 22.745 11.596 ( 1.651 -24.655 0.000) 24.710 11.596 ( 1.651 24.655 0.000) 24.710 12.191 ( 2.359 -13.460 0.000) 13.665 12.191 ( 2.359 13.460 0.000) 13.665 12.361 ( -13.895 -7.589 0.000) 15.833 12.361 ( -13.895 7.589 0.000) 15.833 14.357 ( 8.918 -26.125 0.000) 27.605 14.357 ( 8.918 26.125 0.000) 27.605 14.395 ( 14.672 -12.805 0.000) 19.474 14.395 ( 14.672 12.805 0.000) 19.474 14.873 ( 11.712 -12.078 0.000) 16.824 14.873 ( 11.712 12.078 0.000) 16.824 15.156 ( 3.541 -6.152 0.000) 7.098 15.156 ( 3.541 6.152 0.000) 7.098 15.493 ( -8.520 -9.096 0.000) 12.463 15.493 ( -8.520 9.096 0.000) 12.463 15.561 ( -24.847 -7.820 0.000) 26.049 15.561 ( -24.847 7.820 0.000) 26.049 19.359 ( 11.015 -3.522 0.000) 11.565 19.359 ( 11.015 3.522 0.000) 11.565 19.554 ( -8.451 -5.369 0.000) 10.012 19.554 ( -8.451 5.369 0.000) 10.012 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.000 0.000 30.215) 30.215 0.732 ( 0.000 0.000 34.971) 34.971 1.252 ( 0.000 0.000 59.043) 59.043 2.828 ( 0.000 0.000 4.523) 4.523 3.011 ( 0.000 0.000 0.594) 0.594 3.140 ( 0.000 0.000 -15.737) 15.737 3.477 ( 0.000 0.000 -0.735) 0.735 3.532 ( 0.000 0.000 -0.225) 0.225 4.275 ( 0.000 0.000 -6.964) 6.964 4.329 ( 0.000 0.000 -9.899) 9.899 4.459 ( 0.000 0.000 -24.613) 24.613 4.704 ( 0.000 0.000 -3.215) 3.215 4.820 ( 0.000 0.000 5.894) 5.894 5.181 ( 0.000 0.000 5.221) 5.221 5.350 ( 0.000 0.000 1.780) 1.780 5.489 ( 0.000 0.000 9.447) 9.447 5.500 ( 0.000 0.000 -4.608) 4.608 5.739 ( 0.000 0.000 14.122) 14.122 6.453 ( 0.000 0.000 6.768) 6.768 6.935 ( 0.000 0.000 -7.249) 7.249 7.099 ( 0.000 0.000 3.739) 3.739 7.389 ( 0.000 0.000 0.514) 0.514 7.634 ( 0.000 0.000 -1.983) 1.983 7.682 ( 0.000 0.000 7.053) 7.053 7.799 ( 0.000 0.000 0.678) 0.678 8.378 ( 0.000 0.000 -5.538) 5.538 8.420 ( 0.000 0.000 -4.627) 4.627 8.565 ( 0.000 0.000 -2.348) 2.348 8.583 ( 0.000 0.000 3.444) 3.444 8.681 ( 0.000 0.000 -10.080) 10.080 8.951 ( 0.000 0.000 -0.268) 0.268 9.341 ( 0.000 0.000 -9.984) 9.984 9.552 ( 0.000 0.000 -5.994) 5.994 9.872 ( 0.000 0.000 12.964) 12.964 10.258 ( 0.000 0.000 -5.770) 5.770 10.352 ( 0.000 0.000 1.521) 1.521 10.366 ( 0.000 0.000 2.381) 2.381 10.504 ( 0.000 0.000 3.633) 3.633 10.710 ( 0.000 0.000 1.002) 1.002 10.847 ( 0.000 0.000 7.033) 7.033 11.665 ( 0.000 0.000 7.623) 7.623 11.770 ( 0.000 0.000 15.935) 15.935 11.804 ( 0.000 0.000 7.483) 7.483 12.597 ( 0.000 0.000 -4.564) 4.564 13.132 ( 0.000 0.000 -17.070) 17.070 13.397 ( 0.000 0.000 -10.014) 10.014 13.429 ( 0.000 0.000 -8.014) 8.014 14.217 ( 0.000 0.000 23.816) 23.816 15.268 ( 0.000 0.000 5.879) 5.879 15.590 ( 0.000 0.000 7.522) 7.522 15.829 ( 0.000 0.000 -13.705) 13.705 15.885 ( 0.000 0.000 -6.002) 6.002 16.273 ( 0.000 0.000 -7.633) 7.633 16.352 ( 0.000 0.000 -13.371) 13.371 16.355 ( 0.000 0.000 -0.205) 0.205 16.819 ( 0.000 0.000 -2.518) 2.518 18.362 ( 0.000 0.000 21.710) 21.710 18.764 ( 0.000 0.000 1.532) 1.532 19.208 ( 0.000 0.000 -1.197) 1.197 19.975 ( 0.000 0.000 -1.138) 1.138 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 17.089 0.000 19.753) 26.119 1.045 ( 26.112 0.000 23.332) 35.017 1.670 ( 32.731 0.000 44.729) 55.426 2.857 ( 2.825 0.000 4.379) 5.211 2.976 ( -1.255 0.000 -1.881) 2.261 3.178 ( 3.751 0.000 -14.937) 15.400 3.450 ( -4.668 0.000 -2.243) 5.179 3.511 ( -0.704 0.000 0.577) 0.910 4.148 ( -10.885 0.000 -9.113) 14.196 4.281 ( -3.680 0.000 -10.282) 10.921 4.336 ( -12.627 0.000 -9.308) 15.687 4.589 ( -11.190 0.000 -2.368) 11.438 4.855 ( 4.903 0.000 -2.216) 5.380 5.163 ( -2.544 0.000 1.358) 2.884 5.220 ( -5.698 0.000 -1.787) 5.972 5.404 ( 3.944 0.000 -1.699) 4.295 5.716 ( 5.178 0.000 10.012) 11.271 5.854 ( 11.371 0.000 16.359) 19.922 6.583 ( 11.698 0.000 6.802) 13.532 6.935 ( 0.625 0.000 -6.307) 6.338 7.147 ( 2.592 0.000 0.365) 2.618 7.356 ( -5.735 0.000 2.213) 6.147 7.590 ( -0.094 0.000 1.295) 1.298 7.638 ( -4.574 0.000 4.043) 6.104 7.805 ( -0.053 0.000 -0.156) 0.165 8.172 ( -9.720 0.000 3.571) 10.356 8.338 ( -4.169 0.000 -5.082) 6.573 8.395 ( -1.669 0.000 -3.541) 3.915 8.545 ( -1.495 0.000 0.758) 1.677 8.931 ( 0.378 0.000 -1.246) 1.302 9.010 ( 4.514 0.000 1.934) 4.911 9.357 ( 4.996 0.000 -5.851) 7.694 9.559 ( 0.135 0.000 -5.087) 5.088 10.037 ( -1.202 0.000 -2.579) 2.845 10.348 ( -0.164 0.000 1.777) 1.784 10.389 ( -1.880 0.000 -6.751) 7.008 10.455 ( 8.670 0.000 1.696) 8.835 10.611 ( 10.654 0.000 -1.326) 10.736 10.839 ( -1.439 0.000 9.715) 9.821 10.875 ( 20.105 0.000 -15.047) 25.112 11.611 ( 3.229 0.000 -1.699) 3.649 11.791 ( 0.983 0.000 8.833) 8.888 12.108 ( 25.056 0.000 20.961) 32.668 12.699 ( 10.403 0.000 -0.181) 10.405 13.136 ( 0.745 0.000 -11.622) 11.646 13.363 ( -6.132 0.000 -7.837) 9.951 13.371 ( -2.248 0.000 -12.593) 12.792 14.267 ( 5.109 0.000 23.002) 23.562 15.154 ( -21.500 0.000 31.231) 37.916 15.312 ( 2.719 0.000 5.980) 6.569 15.497 ( -22.689 0.000 -20.518) 30.590 15.929 ( -5.077 0.000 -1.477) 5.288 16.015 ( 4.749 0.000 2.038) 5.168 16.383 ( 0.945 0.000 -9.847) 9.892 16.801 ( -1.680 0.000 -2.146) 2.726 16.944 ( 13.763 0.000 -16.887) 21.785 18.464 ( 9.751 0.000 16.875) 19.489 18.606 ( -8.154 0.000 2.257) 8.461 19.186 ( -2.247 0.000 -1.611) 2.765 19.953 ( -2.204 0.000 -1.309) 2.564 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 23.181 0.000 4.899) 23.693 1.629 ( 30.089 0.000 12.840) 32.714 2.267 ( 21.394 0.000 30.840) 37.534 2.930 ( 3.925 0.000 3.975) 5.586 3.008 ( 4.259 0.000 -5.421) 6.893 3.290 ( 6.081 0.000 -12.840) 14.208 3.352 ( -1.848 0.000 -3.931) 4.343 3.469 ( -3.562 0.000 2.370) 4.279 3.887 ( -14.101 0.000 -6.796) 15.653 4.033 ( -15.771 0.000 -2.173) 15.920 4.197 ( -4.749 0.000 -11.603) 12.538 4.290 ( -16.983 0.000 -0.100) 16.983 4.961 ( 3.545 0.000 -3.538) 5.008 5.082 ( -5.089 0.000 0.443) 5.109 5.188 ( 0.842 0.000 -8.051) 8.095 5.508 ( 7.887 0.000 -8.223) 11.394 5.837 ( 9.162 0.000 13.637) 16.429 6.156 ( 17.176 0.000 15.527) 23.154 6.845 ( 12.140 0.000 7.199) 14.114 6.967 ( 2.250 0.000 -4.824) 5.323 7.125 ( -9.262 0.000 5.391) 10.717 7.261 ( 1.520 0.000 -2.586) 3.000 7.485 ( -10.761 0.000 -6.935) 12.802 7.610 ( 0.611 0.000 -0.142) 0.627 7.784 ( -1.331 0.000 1.529) 2.027 8.079 ( -2.360 0.000 -2.542) 3.468 8.216 ( -7.089 0.000 -3.543) 7.925 8.355 ( -3.720 0.000 3.544) 5.138 8.555 ( 4.373 0.000 2.907) 5.251 8.895 ( -2.280 0.000 -2.733) 3.559 9.078 ( 2.387 0.000 9.927) 10.210 9.489 ( 6.786 0.000 -2.739) 7.317 9.530 ( -3.484 0.000 -2.632) 4.367 9.949 ( -5.454 0.000 -1.973) 5.800 10.314 ( -3.928 0.000 -5.176) 6.498 10.347 ( 0.188 0.000 2.844) 2.850 10.622 ( -5.909 0.000 5.846) 8.312 10.682 ( 7.988 0.000 3.143) 8.584 10.808 ( 4.314 0.000 8.767) 9.771 11.298 ( 18.683 0.000 -20.620) 27.825 11.812 ( 14.974 0.000 -10.428) 18.247 11.915 ( 10.693 0.000 9.804) 14.507 12.709 ( 32.561 0.000 22.137) 39.374 12.855 ( -0.341 0.000 -9.858) 9.864 13.173 ( -0.540 0.000 13.592) 13.603 13.221 ( -5.418 0.000 -6.357) 8.353 13.425 ( 14.680 0.000 -23.545) 27.746 14.433 ( 11.760 0.000 21.491) 24.498 14.888 ( -7.158 0.000 23.455) 24.523 14.982 ( -27.804 0.000 -22.850) 35.988 15.401 ( 5.340 0.000 4.380) 6.906 15.855 ( -3.233 0.000 -2.720) 4.225 16.049 ( -3.750 0.000 6.285) 7.318 16.359 ( -1.466 0.000 -2.372) 2.788 16.757 ( -2.561 0.000 -1.467) 2.951 16.955 ( -9.747 0.000 -1.526) 9.866 18.540 ( 0.947 0.000 -6.823) 6.888 18.723 ( 15.206 0.000 7.960) 17.163 19.119 ( -4.310 0.000 -2.784) 5.131 19.885 ( -4.625 0.000 -1.754) 4.946 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 23.178 0.000 -2.737) 23.339 2.205 ( 26.429 0.000 7.224) 27.399 2.500 ( 4.723 0.000 15.424) 16.131 2.989 ( 1.081 0.000 3.438) 3.604 3.025 ( -3.728 0.000 -1.827) 4.151 3.274 ( -5.572 0.000 -8.787) 10.405 3.392 ( 0.775 0.000 -7.265) 7.307 3.508 ( 5.469 0.000 4.432) 7.040 3.630 ( -10.339 0.000 -3.355) 10.870 3.738 ( -13.064 0.000 -2.557) 13.312 3.998 ( -9.348 0.000 3.032) 9.828 4.090 ( -5.710 0.000 -10.577) 12.019 4.963 ( -2.811 0.000 -0.488) 2.853 4.975 ( -4.967 0.000 1.584) 5.214 5.296 ( 12.442 0.000 -6.739) 14.150 5.755 ( 16.329 0.000 -12.493) 20.561 6.106 ( 16.583 0.000 8.490) 18.630 6.479 ( 12.734 0.000 12.082) 17.554 6.814 ( -19.937 0.000 0.405) 19.941 6.980 ( -0.599 0.000 4.214) 4.257 6.994 ( -1.578 0.000 -2.441) 2.906 7.259 ( -8.846 0.000 -14.420) 16.917 7.347 ( 5.332 0.000 -1.916) 5.666 7.602 ( -1.571 0.000 1.735) 2.341 7.793 ( 2.813 0.000 5.966) 6.596 8.006 ( -4.141 0.000 -5.631) 6.989 8.118 ( -2.551 0.000 -1.427) 2.923 8.231 ( -7.951 0.000 8.945) 11.968 8.722 ( 11.120 0.000 3.605) 11.690 8.878 ( 0.989 0.000 -0.474) 1.096 9.090 ( -1.437 0.000 10.323) 10.422 9.413 ( -8.086 0.000 0.126) 8.087 9.612 ( 5.468 0.000 -0.103) 5.469 9.851 ( -4.113 0.000 -1.153) 4.272 10.249 ( -2.324 0.000 -2.884) 3.704 10.362 ( 1.503 0.000 4.538) 4.780 10.457 ( -9.021 0.000 3.370) 9.630 10.625 ( -6.051 0.000 10.023) 11.708 11.156 ( 22.338 0.000 -0.531) 22.345 11.645 ( 16.329 0.000 -11.704) 20.090 12.083 ( 7.449 0.000 -9.341) 11.947 12.142 ( 9.705 0.000 7.231) 12.103 12.743 ( -7.112 0.000 -9.497) 11.865 13.020 ( 3.873 0.000 -10.211) 10.921 13.072 ( -7.723 0.000 4.578) 8.978 13.593 ( 39.485 0.000 20.217) 44.360 13.879 ( 24.323 0.000 -10.834) 26.627 14.406 ( -29.011 0.000 -22.181) 36.519 14.660 ( 1.976 0.000 9.609) 9.810 14.886 ( 15.022 0.000 23.259) 27.688 15.513 ( 5.552 0.000 3.007) 6.314 15.781 ( -22.173 0.000 10.397) 24.490 15.790 ( -3.261 0.000 -1.565) 3.617 16.400 ( 4.763 0.000 0.960) 4.858 16.622 ( -22.420 0.000 7.031) 23.497 16.697 ( -3.543 0.000 -0.535) 3.583 18.611 ( 5.454 0.000 -9.777) 11.195 19.015 ( -5.983 0.000 -4.553) 7.518 19.042 ( 15.840 0.000 1.552) 15.916 19.765 ( -7.408 0.000 -2.260) 7.745 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 20.927 0.000 -4.371) 21.379 2.473 ( -9.527 0.000 1.580) 9.657 2.662 ( 18.556 0.000 4.185) 19.022 2.930 ( -7.841 0.000 3.166) 8.456 2.966 ( 1.279 0.000 0.688) 1.452 3.093 ( -9.609 0.000 -4.377) 10.558 3.453 ( 3.210 0.000 -4.891) 5.851 3.499 ( -2.430 0.000 -2.297) 3.344 3.509 ( -2.545 0.000 4.135) 4.855 3.537 ( -6.219 0.000 -2.530) 6.714 3.927 ( 0.306 0.000 1.369) 1.403 3.981 ( -4.671 0.000 -6.142) 7.716 4.897 ( -1.932 0.000 1.374) 2.371 4.904 ( -2.399 0.000 1.900) 3.060 5.708 ( 26.564 0.000 -6.014) 27.236 6.127 ( 19.697 0.000 -11.381) 22.749 6.243 ( -20.761 0.000 -4.476) 21.238 6.489 ( -13.361 0.000 -2.190) 13.539 6.558 ( 12.010 0.000 5.217) 13.095 6.858 ( -12.362 0.000 1.986) 12.520 6.988 ( 6.587 0.000 -1.608) 6.781 7.136 ( -6.213 0.000 -4.010) 7.395 7.452 ( 4.885 0.000 -1.584) 5.135 7.542 ( -4.065 0.000 0.098) 4.066 7.896 ( 7.071 0.000 9.103) 11.527 7.991 ( 2.561 0.000 -3.739) 4.532 8.059 ( -8.744 0.000 10.455) 13.629 8.062 ( -3.521 0.000 -2.050) 4.074 8.933 ( 4.199 0.000 3.066) 5.199 8.968 ( 12.740 0.000 3.576) 13.232 9.026 ( -4.476 0.000 7.173) 8.455 9.214 ( -11.424 0.000 2.339) 11.661 9.708 ( 4.087 0.000 0.963) 4.199 9.780 ( -3.269 0.000 0.522) 3.311 10.233 ( 1.081 0.000 -0.513) 1.197 10.302 ( -5.833 0.000 1.274) 5.970 10.412 ( 3.597 0.000 6.536) 7.461 10.505 ( -5.515 0.000 8.539) 10.165 11.614 ( 22.148 0.000 -2.025) 22.240 11.955 ( 14.317 0.000 -5.846) 15.464 11.997 ( -14.320 0.000 -3.869) 14.834 12.187 ( -6.745 0.000 -0.099) 6.746 12.711 ( 5.652 0.000 -2.328) 6.112 12.890 ( -9.991 0.000 1.470) 10.099 13.291 ( 22.211 0.000 -18.640) 28.996 13.812 ( -27.810 0.000 -20.828) 34.745 14.291 ( 16.306 0.000 -4.037) 16.798 14.440 ( 40.766 0.000 18.719) 44.858 14.547 ( -9.610 0.000 2.160) 9.850 15.206 ( -34.242 0.000 14.952) 37.364 15.399 ( 29.016 0.000 16.382) 33.322 15.614 ( 3.941 0.000 1.750) 4.312 15.731 ( -1.340 0.000 1.585) 2.076 16.090 ( -29.380 0.000 11.819) 31.669 16.509 ( 5.575 0.000 1.071) 5.677 16.614 ( -4.738 0.000 0.396) 4.755 18.740 ( 7.056 0.000 -8.765) 11.252 18.883 ( -7.030 0.000 -6.678) 9.696 19.341 ( 13.689 0.000 -1.510) 13.772 19.585 ( -10.550 0.000 -2.416) 10.823 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.000 20.987 18.017) 27.660 1.003 ( 0.000 27.331 17.953) 32.700 1.879 ( 0.000 42.525 39.594) 58.103 2.789 ( 0.000 -5.945 -0.744) 5.991 2.923 ( 0.000 -8.246 1.804) 8.441 3.156 ( 0.000 3.388 -10.087) 10.641 3.467 ( 0.000 -0.138 -2.986) 2.989 3.593 ( 0.000 5.875 -1.519) 6.068 4.124 ( 0.000 -9.000 -13.277) 16.040 4.301 ( 0.000 -5.849 -1.421) 6.019 4.459 ( 0.000 -1.051 -23.041) 23.065 4.604 ( 0.000 -8.162 -3.894) 9.043 4.862 ( 0.000 2.190 5.189) 5.632 5.247 ( 0.000 3.262 12.084) 12.517 5.303 ( 0.000 -4.052 4.506) 6.060 5.443 ( 0.000 -3.765 9.578) 10.291 5.571 ( 0.000 10.170 -12.474) 16.095 5.813 ( 0.000 8.047 7.952) 11.313 6.503 ( 0.000 4.215 5.298) 6.770 6.898 ( 0.000 -2.377 -6.313) 6.746 6.958 ( 0.000 -12.182 4.887) 13.126 7.427 ( 0.000 3.974 1.538) 4.261 7.455 ( 0.000 -10.412 5.418) 11.737 7.765 ( 0.000 7.092 5.970) 9.270 8.004 ( 0.000 7.405 -4.172) 8.500 8.348 ( 0.000 -4.244 -2.393) 4.872 8.374 ( 0.000 -0.139 -6.416) 6.418 8.537 ( 0.000 0.078 -2.456) 2.458 8.674 ( 0.000 5.666 4.707) 7.366 8.793 ( 0.000 5.060 -9.272) 10.562 8.836 ( 0.000 -8.843 -1.019) 8.901 9.285 ( 0.000 -4.214 -9.149) 10.073 9.380 ( 0.000 -14.788 -1.718) 14.888 9.486 ( 0.000 -15.139 17.076) 22.821 10.152 ( 0.000 1.723 -1.588) 2.343 10.445 ( 0.000 6.804 0.587) 6.829 10.504 ( 0.000 2.110 0.774) 2.248 10.666 ( 0.000 -3.526 1.223) 3.732 10.889 ( 0.000 3.488 4.278) 5.520 11.030 ( 0.000 21.271 -13.849) 25.382 11.759 ( 0.000 -0.808 16.713) 16.732 11.763 ( 0.000 -0.960 4.952) 5.044 11.983 ( 0.000 25.439 8.619) 26.860 12.669 ( 0.000 6.484 -5.434) 8.460 13.137 ( 0.000 0.451 -15.955) 15.961 13.348 ( 0.000 -3.643 -5.696) 6.761 13.450 ( 0.000 0.889 -12.262) 12.294 14.216 ( 0.000 1.237 22.120) 22.154 15.154 ( 0.000 -10.989 6.270) 12.652 15.549 ( 0.000 -4.427 4.506) 6.317 15.628 ( 0.000 -17.044 25.089) 30.331 15.665 ( 0.000 -18.032 0.577) 18.041 16.041 ( 0.000 -2.166 -3.431) 4.058 16.234 ( 0.000 -3.034 -12.812) 13.166 16.297 ( 0.000 0.546 -17.115) 17.124 16.973 ( 0.000 -0.635 -16.721) 16.733 18.397 ( 0.000 3.215 20.569) 20.818 18.795 ( 0.000 -0.295 4.744) 4.754 19.361 ( 0.000 12.195 -1.152) 12.249 19.977 ( 0.000 -0.046 -1.167) 1.168 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 16.443 12.933 18.480) 27.913 1.108 ( 13.001 22.602 13.793) 29.498 2.176 ( 24.568 35.629 31.338) 53.433 2.776 ( -1.293 -7.684 -1.304) 7.900 2.918 ( 1.221 -6.860 2.636) 7.450 3.171 ( 1.546 0.764 -11.376) 11.506 3.439 ( -3.466 -0.767 -3.139) 4.739 3.567 ( -2.146 6.336 -1.364) 6.827 4.062 ( -7.037 -7.635 -10.601) 14.839 4.203 ( -6.956 -6.113 -6.959) 11.584 4.331 ( -12.512 -1.483 -8.524) 15.212 4.510 ( -9.209 -6.010 -2.875) 11.366 4.903 ( 5.409 3.060 -3.708) 7.237 5.198 ( -3.717 -1.288 -2.030) 4.427 5.262 ( -1.920 4.646 4.393) 6.676 5.547 ( 1.019 7.613 -5.257) 9.308 5.620 ( 10.527 0.925 11.960) 15.959 5.899 ( 9.071 3.947 12.072) 15.608 6.609 ( 9.445 1.949 5.329) 11.019 6.906 ( 1.241 -2.194 -5.356) 5.919 7.012 ( 4.252 -11.515 2.435) 12.514 7.286 ( -9.056 -5.743 5.131) 11.888 7.540 ( 3.569 -0.285 2.936) 4.630 7.742 ( -2.724 7.268 2.779) 8.245 7.944 ( -5.976 7.416 -4.912) 10.717 8.132 ( -9.097 -2.892 1.386) 9.645 8.331 ( -4.714 -0.437 -4.056) 6.234 8.513 ( -0.495 7.623 -0.396) 7.649 8.538 ( -4.669 -0.689 0.147) 4.721 8.852 ( 0.668 -6.641 -2.251) 7.043 8.989 ( 4.656 -1.745 4.573) 6.755 9.328 ( 5.436 -3.894 -6.460) 9.298 9.409 ( 1.287 -9.435 -3.283) 10.072 9.875 ( 23.382 -17.954 0.113) 29.480 10.129 ( -1.123 0.831 -1.345) 1.939 10.442 ( -0.479 6.060 0.349) 6.089 10.548 ( -0.681 0.160 -0.030) 0.700 10.623 ( 4.553 0.694 1.196) 4.759 10.886 ( -0.376 4.632 6.612) 8.082 11.195 ( 11.304 15.926 -15.365) 24.849 11.757 ( 1.836 2.972 7.061) 7.878 11.778 ( 4.188 5.259 0.732) 6.763 12.225 ( 20.554 14.045 18.964) 31.295 12.751 ( 8.722 4.770 -1.598) 10.069 13.124 ( -0.891 -0.589 -13.006) 13.050 13.292 ( -5.847 -3.657 -3.364) 7.673 13.437 ( -0.644 2.138 -15.013) 15.178 14.264 ( 4.815 0.981 21.544) 22.098 15.162 ( -13.013 -0.791 18.719) 22.811 15.206 ( -1.415 -8.087 9.308) 12.411 15.544 ( -15.064 -0.666 -12.320) 19.472 15.781 ( 3.248 -13.404 4.599) 14.539 15.887 ( -3.518 -11.040 1.131) 11.643 16.331 ( 0.678 -0.083 -12.526) 12.545 16.391 ( 5.198 -17.227 -4.409) 18.526 16.999 ( 0.216 -3.130 -11.974) 12.378 18.494 ( 9.243 2.867 15.832) 18.556 18.731 ( -3.841 5.414 1.554) 6.818 19.340 ( -2.113 12.277 -1.519) 12.550 19.955 ( -2.187 -0.028 -1.347) 2.569 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 16.998 12.936 7.659) 22.692 1.555 ( 24.692 1.579 13.715) 28.290 2.591 ( 10.489 18.120 16.010) 26.356 2.778 ( 2.444 -7.934 -0.586) 8.322 3.031 ( 10.791 -2.311 5.388) 12.281 3.215 ( 2.246 -5.865 -12.730) 14.195 3.331 ( -6.410 -1.805 -3.818) 7.676 3.508 ( -4.032 5.556 -0.232) 6.869 3.851 ( -12.096 -5.059 -4.072) 13.729 4.017 ( -14.101 1.404 -4.610) 14.902 4.100 ( -6.454 -8.061 -7.971) 13.045 4.266 ( -13.806 -2.204 -1.636) 14.076 4.988 ( -0.264 0.685 -3.903) 3.972 5.180 ( 3.497 6.483 0.799) 7.409 5.244 ( 2.232 5.781 -8.559) 10.567 5.611 ( 5.326 9.532 -8.625) 13.915 5.843 ( 12.367 2.765 13.523) 18.533 6.171 ( 16.681 0.647 15.214) 22.586 6.811 ( 8.363 -3.918 5.407) 10.701 6.954 ( 3.327 -1.249 -3.367) 4.895 7.063 ( -6.878 -5.804 3.935) 9.823 7.136 ( 1.803 -8.697 1.637) 9.032 7.532 ( -7.792 4.388 -4.198) 9.879 7.664 ( -2.212 4.655 -1.380) 5.335 7.834 ( -3.508 3.745 -1.413) 5.322 8.045 ( -1.798 -2.597 -2.824) 4.237 8.197 ( -7.781 -1.161 -3.479) 8.602 8.395 ( -7.078 0.308 5.434) 8.928 8.579 ( 4.495 2.375 3.120) 5.965 8.847 ( -0.829 -3.182 -0.924) 3.416 9.048 ( 2.215 -3.402 8.665) 9.569 9.345 ( -2.723 -12.465 -0.925) 12.792 9.526 ( 8.010 3.385 -2.788) 9.132 10.023 ( -2.245 3.804 -3.890) 5.886 10.224 ( 4.525 -7.294 -2.609) 8.971 10.409 ( -2.526 -1.097 2.311) 3.595 10.525 ( 1.273 4.587 2.618) 5.433 10.852 ( -2.946 7.383 9.847) 12.655 10.868 ( 15.521 4.327 0.204) 16.114 11.390 ( 9.384 8.413 -17.985) 21.961 11.868 ( 9.236 -0.725 5.978) 11.026 11.981 ( 14.168 9.925 -8.910) 19.459 12.717 ( 24.378 1.493 21.403) 32.475 12.901 ( 0.039 4.313 -9.479) 10.414 13.125 ( -6.522 -5.357 -10.274) 13.296 13.178 ( 7.298 0.993 12.889) 14.845 13.512 ( 12.456 4.387 -16.843) 21.403 14.406 ( 8.674 -0.646 18.372) 20.327 14.877 ( -12.410 2.238 11.746) 17.233 15.157 ( -18.626 10.527 -10.119) 23.667 15.302 ( 5.584 -8.710 4.601) 11.323 15.794 ( -2.022 -6.403 -0.615) 6.742 15.908 ( 4.193 -20.285 6.185) 21.617 16.240 ( -10.207 -0.463 -2.558) 10.533 16.417 ( -1.346 -23.798 -2.897) 24.012 16.900 ( -10.644 -5.138 -1.109) 11.871 18.692 ( 3.442 8.600 -3.401) 9.868 18.757 ( 12.784 3.528 5.518) 14.364 19.277 ( -4.075 12.494 -2.540) 13.385 19.888 ( -4.575 0.036 -1.812) 4.921 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 18.673 4.521 0.943) 19.236 2.023 ( 20.397 -6.395 11.663) 24.350 2.689 ( 3.083 2.709 -0.038) 4.104 2.823 ( 1.292 -4.798 3.067) 5.839 3.117 ( -7.836 0.235 0.500) 7.855 3.215 ( 1.892 -6.556 -7.773) 10.343 3.266 ( -2.434 -14.358 -1.466) 14.636 3.399 ( -6.647 3.330 -0.121) 7.435 3.649 ( -7.271 -1.201 -1.286) 7.481 3.773 ( -9.572 1.395 0.628) 9.693 3.949 ( -9.362 -4.977 -3.487) 11.161 4.043 ( -6.796 -1.150 -6.783) 9.671 5.018 ( 5.418 6.090 0.053) 8.151 5.200 ( -1.325 17.472 2.684) 17.727 5.401 ( 12.326 7.763 -10.496) 17.954 5.800 ( 14.048 4.363 -12.709) 19.440 6.140 ( 17.036 3.149 10.126) 20.067 6.487 ( 10.734 0.395 11.603) 15.812 6.766 ( -11.835 -4.392 0.016) 12.624 6.943 ( -3.646 -1.857 3.470) 5.365 7.024 ( 1.282 0.108 2.395) 2.719 7.175 ( -2.631 -7.611 -6.006) 10.046 7.333 ( -4.982 0.858 -8.475) 9.869 7.612 ( -4.504 1.097 1.470) 4.863 7.825 ( 2.467 2.326 1.924) 3.899 8.005 ( -2.670 -0.290 -3.989) 4.809 8.074 ( -3.212 -2.808 -2.477) 4.933 8.243 ( -8.033 -0.169 8.366) 11.599 8.695 ( 6.779 -2.291 5.204) 8.848 8.848 ( 1.365 -1.901 3.314) 4.057 9.072 ( -0.134 -2.745 8.956) 9.368 9.259 ( -5.515 -10.418 1.100) 11.839 9.674 ( 6.654 5.930 -0.715) 8.941 9.967 ( -3.092 7.086 -2.279) 8.060 10.228 ( -1.648 -1.686 -2.405) 3.368 10.348 ( -4.003 -4.730 4.135) 7.450 10.558 ( 1.460 12.266 1.835) 12.488 10.773 ( -4.655 12.138 9.639) 16.184 11.218 ( 19.391 5.453 -0.965) 20.166 11.638 ( 15.191 -0.392 -12.485) 19.667 12.032 ( 3.764 -1.051 -1.311) 4.121 12.258 ( 11.836 4.018 -3.829) 13.073 12.728 ( -14.197 -0.476 -7.435) 16.033 12.914 ( -2.756 -10.031 3.714) 11.046 13.084 ( 6.045 4.960 -9.628) 12.403 13.658 ( 36.160 4.793 18.876) 41.071 13.924 ( 22.160 3.075 -10.682) 24.791 14.382 ( -15.475 2.284 -7.771) 17.467 14.830 ( 8.049 6.874 7.438) 12.937 14.884 ( -2.587 4.365 13.105) 14.053 15.424 ( 5.846 -7.882 4.133) 10.648 15.717 ( -7.102 -4.697 -0.267) 8.519 15.870 ( -15.805 4.915 9.314) 18.992 16.073 ( 3.073 -26.491 0.777) 26.680 16.346 ( -6.769 -25.330 -2.464) 26.335 16.588 ( -18.749 -5.323 6.981) 20.702 18.775 ( 5.610 11.589 -7.895) 15.103 19.057 ( 15.088 1.591 0.801) 15.193 19.179 ( -5.443 12.604 -3.842) 14.256 19.769 ( -7.312 0.172 -2.350) 7.682 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 16.518 -2.740 -0.417) 16.749 2.293 ( 3.117 -9.744 6.955) 12.371 2.722 ( 0.272 0.618 -4.169) 4.223 2.782 ( -5.254 -6.317 -1.763) 8.404 3.051 ( 4.863 -0.536 -3.274) 5.887 3.190 ( -4.168 -2.430 -2.825) 5.591 3.202 ( -2.187 -17.279 4.519) 17.994 3.262 ( -6.075 -1.478 3.501) 7.165 3.561 ( -1.210 0.431 -2.479) 2.792 3.611 ( -6.080 -0.456 0.112) 6.099 3.845 ( 0.273 -4.896 -2.475) 5.493 3.921 ( -5.818 -3.053 -6.333) 9.126 5.119 ( 3.113 17.170 0.599) 17.460 5.164 ( -1.940 20.098 1.877) 20.278 5.774 ( 24.182 5.553 -7.943) 26.052 6.146 ( 17.732 1.616 -10.631) 20.738 6.278 ( -19.874 2.256 -6.872) 21.150 6.479 ( 3.921 0.709 2.826) 4.885 6.610 ( -3.654 4.327 2.711) 6.278 6.845 ( -9.562 -0.797 1.779) 9.759 6.984 ( 5.170 -0.786 0.345) 5.241 7.122 ( -4.592 -1.805 -2.483) 5.524 7.361 ( 5.311 -7.593 1.793) 9.438 7.492 ( -6.893 -4.127 2.119) 8.309 7.911 ( 5.655 0.567 0.351) 5.694 7.983 ( 0.097 -0.147 -0.608) 0.633 8.033 ( -1.487 -1.924 -2.238) 3.305 8.085 ( -6.974 1.160 8.608) 11.139 8.828 ( 5.696 -5.935 6.425) 10.438 8.886 ( 0.765 -4.850 8.306) 9.648 9.061 ( 0.650 -1.026 4.823) 4.974 9.139 ( -5.961 -5.815 2.716) 8.759 9.797 ( 5.599 7.294 0.188) 9.197 9.896 ( -4.183 8.092 -0.309) 9.114 10.212 ( 0.645 -1.698 -0.400) 1.860 10.260 ( -3.946 -3.035 1.624) 5.236 10.599 ( 2.981 15.665 4.488) 16.566 10.677 ( -4.574 15.122 7.515) 17.495 11.617 ( 19.104 1.613 -2.998) 19.405 11.935 ( -8.106 -0.830 -4.697) 9.406 11.980 ( 13.987 -0.441 -6.970) 15.634 12.320 ( -13.755 6.766 -2.640) 15.555 12.564 ( 7.336 -12.177 -1.233) 14.270 12.767 ( -9.997 -10.087 1.898) 14.328 13.382 ( 21.048 8.806 -15.985) 27.859 13.842 ( -22.695 3.612 -17.494) 28.882 14.351 ( 21.530 5.924 2.083) 22.427 14.510 ( 27.668 6.111 12.412) 30.934 14.673 ( -5.863 9.601 0.641) 11.268 15.213 ( -20.236 -1.357 12.293) 23.716 15.372 ( 17.013 -1.438 16.705) 23.887 15.559 ( 3.871 -4.869 1.669) 6.441 15.688 ( -3.612 -3.734 2.132) 5.616 15.986 ( -26.342 -11.618 8.176) 29.929 16.197 ( 5.971 -25.020 1.670) 25.777 16.328 ( -7.239 -20.547 2.860) 21.972 18.905 ( 7.083 12.428 -7.512) 16.157 19.048 ( -6.872 12.701 -5.973) 15.627 19.353 ( 13.371 0.883 -1.720) 13.510 19.592 ( -10.377 0.427 -2.557) 10.696 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.000 28.749 0.750) 28.759 1.628 ( 0.000 28.712 9.432) 30.221 2.523 ( 0.000 -17.844 -5.640) 18.714 2.644 ( 0.000 -14.768 3.949) 15.287 2.801 ( 0.000 35.773 17.743) 39.932 3.297 ( 0.000 6.931 -8.260) 10.783 3.511 ( 0.000 5.557 -2.527) 6.104 3.778 ( 0.000 10.506 -3.252) 10.998 3.957 ( 0.000 -5.421 -10.104) 11.467 4.101 ( 0.000 -10.330 0.284) 10.334 4.349 ( 0.000 -10.173 -8.714) 13.395 4.398 ( 0.000 -10.477 -10.331) 14.714 4.929 ( 0.000 4.714 2.269) 5.231 5.244 ( 0.000 -3.374 14.638) 15.022 5.248 ( 0.000 -1.296 3.210) 3.461 5.320 ( 0.000 -7.314 10.193) 12.545 5.835 ( 0.000 12.819 -7.546) 14.875 6.094 ( 0.000 13.934 -2.871) 14.227 6.587 ( 0.000 0.045 4.963) 4.963 6.692 ( 0.000 -4.812 6.466) 8.060 6.839 ( 0.000 -3.249 -4.028) 5.175 7.169 ( 0.000 -16.314 6.114) 17.422 7.577 ( 0.000 9.835 2.688) 10.196 7.965 ( 0.000 10.989 4.320) 11.808 8.037 ( 0.000 -5.103 3.344) 6.101 8.286 ( 0.000 -0.719 -8.005) 8.038 8.373 ( 0.000 -0.102 -7.804) 7.805 8.574 ( 0.000 -12.960 -1.310) 13.026 8.581 ( 0.000 3.969 -2.816) 4.867 8.810 ( 0.000 6.840 7.142) 9.889 8.849 ( 0.000 -2.881 -0.115) 2.884 9.114 ( 0.000 -6.611 -5.008) 8.294 9.193 ( 0.000 -3.918 -7.585) 8.537 9.212 ( 0.000 -11.084 9.690) 14.722 10.227 ( 0.000 4.892 -1.270) 5.054 10.493 ( 0.000 -4.710 -1.118) 4.841 10.568 ( 0.000 3.616 -0.109) 3.617 10.643 ( 0.000 2.338 1.658) 2.866 10.992 ( 0.000 6.346 -0.930) 6.414 11.248 ( 0.000 0.851 -4.627) 4.705 11.747 ( 0.000 0.235 6.178) 6.183 11.749 ( 0.000 0.118 17.115) 17.115 12.706 ( 0.000 37.211 5.843) 37.667 12.857 ( 0.000 10.111 -7.880) 12.819 13.158 ( 0.000 1.771 -12.335) 12.461 13.266 ( 0.000 -2.644 -6.940) 7.427 13.420 ( 0.000 -3.450 -9.047) 9.682 14.340 ( 0.000 10.938 15.925) 19.320 14.702 ( 0.000 -34.204 6.072) 34.739 15.092 ( 0.000 -23.658 5.135) 24.208 15.442 ( 0.000 -2.398 19.092) 19.242 15.500 ( 0.000 -3.053 8.547) 9.076 16.063 ( 0.000 2.499 -7.693) 8.089 16.188 ( 0.000 -2.410 -9.523) 9.823 16.405 ( 0.000 8.698 -21.380) 23.082 16.850 ( 0.000 -8.985 -17.678) 19.830 18.494 ( 0.000 5.488 17.865) 18.689 18.738 ( 0.000 -4.453 10.295) 11.217 19.643 ( 0.000 12.296 -1.176) 12.352 19.956 ( 0.000 -2.348 -1.213) 2.642 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 5.774 24.627 3.578) 25.547 1.678 ( 5.312 27.082 9.037) 29.040 2.506 ( -1.788 -17.181 -4.309) 17.803 2.661 ( 1.584 -16.154 3.444) 16.593 2.925 ( 10.349 28.275 12.192) 32.485 3.237 ( -5.241 4.420 -8.767) 11.129 3.465 ( -4.647 3.888 -2.414) 6.522 3.757 ( -3.341 8.468 -2.249) 9.377 3.905 ( -5.273 -4.625 -4.108) 8.129 4.025 ( -4.468 -6.247 -5.849) 9.654 4.276 ( -7.521 -5.434 -8.339) 12.476 4.352 ( -5.554 -8.015 -2.859) 10.161 4.962 ( 4.162 2.896 -2.955) 5.868 5.159 ( -2.785 -2.795 -0.746) 4.015 5.289 ( 2.547 0.377 7.153) 7.602 5.513 ( 14.920 -6.507 13.090) 20.888 5.876 ( 4.306 13.437 -0.766) 14.131 6.101 ( 1.119 12.720 -1.694) 12.881 6.600 ( 1.191 -4.781 5.372) 7.290 6.781 ( 7.878 -2.871 4.700) 9.613 6.870 ( 3.321 -2.294 -2.836) 4.933 7.074 ( -7.831 -13.645 5.460) 16.653 7.635 ( 4.420 8.273 3.390) 9.973 7.930 ( -3.467 9.847 2.369) 10.705 8.009 ( -2.360 -3.402 -0.234) 4.147 8.118 ( -11.734 3.822 -5.833) 13.650 8.304 ( -6.253 -2.589 -4.940) 8.379 8.445 ( -6.281 -9.193 -0.601) 11.150 8.615 ( -1.049 1.192 -1.438) 2.143 8.777 ( 1.765 0.864 3.785) 4.265 8.917 ( 1.177 -3.634 3.978) 5.515 9.131 ( -0.397 -8.236 3.186) 8.839 9.357 ( 13.810 0.628 -5.678) 14.945 9.554 ( 26.364 -10.945 -2.091) 28.623 10.198 ( -2.444 4.441 -1.986) 5.444 10.434 ( -4.869 -4.902 -1.796) 7.139 10.613 ( 3.787 3.504 0.261) 5.166 10.669 ( 4.084 2.646 1.268) 5.029 11.025 ( 2.744 8.561 0.997) 9.045 11.367 ( 9.908 -0.466 -4.237) 10.786 11.773 ( 3.094 3.006 6.219) 7.569 11.872 ( 11.162 0.680 7.164) 13.281 12.760 ( 4.171 28.595 7.752) 29.919 12.895 ( 4.526 7.672 -5.483) 10.459 13.135 ( -2.006 1.645 -11.125) 11.424 13.247 ( -1.086 3.950 -2.077) 4.593 13.410 ( 0.037 -4.616 -10.149) 11.149 14.372 ( 3.193 8.606 15.131) 17.698 14.769 ( 6.343 -31.084 5.908) 32.270 15.114 ( 1.037 -19.686 3.845) 20.085 15.279 ( -9.230 1.306 16.222) 18.710 15.567 ( 0.739 -9.122 9.400) 13.119 15.842 ( -15.490 5.456 -12.222) 20.472 16.129 ( -6.276 -7.892 -9.065) 13.559 16.446 ( 0.514 7.963 -12.295) 14.658 16.858 ( -1.116 -8.850 -11.447) 14.513 18.580 ( 8.282 4.815 13.501) 16.554 18.763 ( 2.734 -1.755 6.088) 6.901 19.623 ( -2.008 12.314 -1.471) 12.563 19.935 ( -2.123 -2.311 -1.414) 3.442 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 8.893 15.717 8.135) 19.806 1.846 ( 10.915 20.513 6.537) 24.138 2.469 ( -1.239 -15.821 -3.570) 16.266 2.700 ( 1.735 -13.712 5.920) 15.036 3.067 ( 0.717 3.004 -3.028) 4.326 3.133 ( -4.424 -0.037 -7.440) 8.656 3.329 ( -7.921 2.576 -1.374) 8.442 3.605 ( -10.459 -2.952 2.041) 11.058 3.779 ( -6.656 3.614 -0.665) 7.603 3.984 ( -2.744 0.268 -9.189) 9.594 4.074 ( -10.313 2.522 -5.167) 11.807 4.185 ( -9.926 -4.770 0.340) 11.018 5.031 ( 3.694 4.651 -0.495) 5.960 5.237 ( 11.820 -0.278 -12.331) 17.084 5.411 ( 8.917 7.988 1.841) 12.113 5.830 ( 14.113 2.320 6.240) 15.605 5.976 ( 5.290 10.303 7.186) 13.630 6.197 ( 10.587 3.728 5.005) 12.290 6.630 ( 1.294 -10.240 5.241) 11.576 6.863 ( -5.285 -8.646 2.458) 10.427 6.960 ( 3.030 -1.458 -0.226) 3.370 7.004 ( 7.824 -3.004 4.398) 9.465 7.679 ( -4.974 8.931 -0.852) 10.258 7.795 ( -7.262 6.996 -3.398) 10.641 7.917 ( -6.344 3.305 -4.863) 8.650 7.989 ( -0.968 -2.522 -1.377) 3.032 8.153 ( -7.728 -3.327 -4.070) 9.347 8.313 ( -6.468 -7.445 4.273) 10.748 8.601 ( 0.332 0.229 0.600) 0.723 8.838 ( 3.091 -0.086 9.078) 9.590 8.908 ( -0.951 -6.258 2.644) 6.860 9.116 ( -1.292 -7.598 7.634) 10.848 9.646 ( 12.909 7.104 -3.864) 15.233 9.981 ( 13.295 -7.618 -3.765) 15.779 10.156 ( -0.887 2.291 -1.693) 2.983 10.326 ( -5.323 -4.454 -1.204) 7.044 10.697 ( 5.853 7.019 1.252) 9.225 10.887 ( 17.052 -1.583 -2.093) 17.253 11.073 ( 1.860 13.002 4.434) 13.863 11.568 ( 8.763 1.861 -7.188) 11.486 11.848 ( 4.325 3.659 3.525) 6.672 12.150 ( 13.454 1.677 -8.208) 15.849 12.784 ( -3.337 3.485 6.693) 8.251 12.954 ( -6.224 -3.498 -10.837) 12.977 13.140 ( 7.865 9.114 -0.593) 12.053 13.339 ( 13.419 19.072 9.536) 25.194 13.520 ( 14.189 -3.919 -7.571) 16.553 14.463 ( 5.482 3.873 11.982) 13.734 14.934 ( 8.227 -20.181 6.339) 22.697 14.992 ( -9.647 2.869 7.691) 12.666 15.255 ( 4.488 -17.772 6.144) 19.332 15.425 ( -13.357 -2.202 -1.179) 13.588 15.640 ( -4.186 -6.196 -1.700) 7.668 15.980 ( -8.059 -14.457 -9.821) 19.246 16.350 ( -10.470 7.893 -0.489) 13.120 16.746 ( -10.580 -8.691 -0.904) 13.721 18.801 ( 12.499 3.535 4.657) 13.799 18.856 ( 6.885 2.882 -0.129) 7.465 19.563 ( -3.985 12.302 -2.286) 13.132 19.870 ( -4.416 -2.180 -1.945) 5.295 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 10.265 7.889 7.517) 14.971 2.069 ( 9.621 9.128 6.582) 14.806 2.467 ( 0.886 -14.846 -2.672) 15.111 2.725 ( 1.024 -16.014 5.080) 16.832 2.961 ( -10.695 -2.291 -6.413) 12.679 3.033 ( -3.069 -4.899 -5.658) 8.089 3.219 ( -3.072 0.792 -2.343) 3.943 3.400 ( -9.017 -6.738 4.501) 12.123 3.644 ( -6.196 4.521 -2.622) 8.106 3.804 ( -10.443 1.802 -3.742) 11.239 3.897 ( -10.034 -0.527 -3.995) 10.813 4.012 ( -7.657 -2.164 -3.580) 8.725 5.243 ( 16.097 13.388 -1.823) 21.016 5.496 ( 10.740 4.563 -14.735) 18.796 5.632 ( 13.375 15.763 3.975) 21.051 5.968 ( 4.679 11.432 -10.292) 16.078 6.203 ( 14.700 -0.023 13.042) 19.651 6.500 ( 12.468 1.344 9.500) 15.733 6.581 ( -2.254 -13.536 -1.631) 13.818 6.812 ( 2.750 -9.074 6.516) 11.505 7.008 ( -0.879 0.867 2.044) 2.389 7.087 ( -2.739 -1.424 3.787) 4.885 7.404 ( -15.273 5.839 -11.584) 20.039 7.636 ( -11.975 0.077 -1.300) 12.045 7.873 ( 1.482 2.085 -2.697) 3.718 7.988 ( 0.572 -1.622 -1.201) 2.098 8.030 ( -4.058 -0.664 -1.861) 4.513 8.189 ( -5.969 -4.791 6.526) 10.058 8.646 ( 4.157 -0.571 4.352) 6.045 8.853 ( -0.855 2.634 10.499) 10.858 8.928 ( 2.050 -9.881 5.501) 11.494 9.072 ( -3.009 -6.474 7.319) 10.224 9.845 ( 7.264 8.740 -1.195) 11.427 10.077 ( -0.371 2.622 -3.643) 4.504 10.176 ( 0.744 -3.328 0.415) 3.435 10.235 ( -3.541 -4.331 0.476) 5.615 10.863 ( 9.465 13.620 -0.511) 16.594 11.102 ( 1.348 18.175 5.923) 19.163 11.294 ( 21.467 -2.533 -2.488) 21.758 11.709 ( 6.599 8.306 -10.526) 14.944 11.958 ( 5.948 -7.393 3.432) 10.091 12.283 ( -0.725 0.306 -13.749) 13.772 12.639 ( -11.054 -9.493 -1.464) 14.644 12.729 ( -12.543 -4.734 -1.886) 13.539 13.377 ( 15.150 21.669 -7.264) 27.419 13.792 ( 27.832 8.096 11.128) 31.049 13.966 ( 26.432 0.610 -0.660) 26.448 14.530 ( -1.202 7.780 1.941) 8.108 14.830 ( 0.532 -1.045 12.535) 12.590 15.100 ( -4.239 3.524 -0.283) 5.520 15.183 ( 3.057 -10.711 4.928) 12.181 15.417 ( 8.327 -25.016 4.763) 26.792 15.547 ( -5.940 -11.463 0.126) 12.911 15.800 ( -10.443 -19.468 -10.091) 24.288 16.039 ( -19.444 8.353 8.476) 22.796 16.436 ( -19.697 -8.469 7.682) 22.775 18.992 ( 8.372 7.442 -4.697) 12.147 19.093 ( 13.998 1.236 -0.215) 14.054 19.463 ( -5.871 12.076 -3.425) 13.857 19.756 ( -6.990 -1.883 -2.598) 7.691 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 8.670 0.708 6.077) 10.611 2.170 ( -0.461 -1.023 6.598) 6.692 2.509 ( 4.121 -15.202 -1.623) 15.834 2.647 ( -8.722 -18.320 -1.787) 20.369 2.894 ( 4.392 2.674 -1.978) 5.509 2.974 ( -2.934 -1.327 -0.172) 3.225 3.176 ( -0.198 -2.162 0.602) 2.253 3.251 ( -6.486 -5.382 -0.409) 8.438 3.570 ( -0.422 2.688 -2.348) 3.594 3.634 ( -6.400 3.665 -1.600) 7.547 3.762 ( -0.775 -3.628 -4.314) 5.690 3.851 ( -7.633 -3.885 -5.049) 9.942 5.526 ( 9.257 18.315 -3.107) 20.755 5.613 ( 0.482 18.499 -1.895) 18.602 5.907 ( 14.799 5.660 -10.295) 18.895 6.159 ( 2.212 -2.293 -5.594) 6.438 6.318 ( 4.654 3.661 -9.745) 11.403 6.565 ( 11.036 5.647 5.724) 13.655 6.722 ( -15.441 4.315 1.714) 16.125 6.841 ( 0.330 1.151 3.208) 3.424 6.934 ( 1.905 -4.058 2.588) 5.177 7.017 ( 5.584 -7.753 2.995) 10.013 7.199 ( -4.948 -4.977 3.308) 7.759 7.363 ( -14.457 -7.939 2.543) 16.688 7.922 ( 3.268 1.237 -5.617) 6.615 7.980 ( -2.005 0.174 -3.243) 3.817 8.012 ( 1.972 -0.384 3.079) 3.677 8.078 ( -4.714 -1.945 5.208) 7.289 8.747 ( 5.120 -0.769 8.541) 9.988 8.825 ( -2.343 0.052 11.030) 11.276 8.962 ( 1.594 -7.335 5.842) 9.512 9.007 ( -3.043 -5.859 5.779) 8.774 9.963 ( 4.893 6.966 -0.174) 8.515 10.043 ( -2.934 4.886 -0.923) 5.774 10.169 ( -0.276 -2.334 -0.106) 2.353 10.184 ( -1.722 -3.719 0.824) 4.180 11.023 ( 5.999 21.677 0.883) 22.509 11.103 ( -1.844 22.778 4.423) 23.277 11.696 ( 17.277 1.512 -3.384) 17.670 11.915 ( 14.881 -1.500 -8.817) 17.362 11.965 ( -8.130 -1.257 -3.922) 9.114 12.218 ( -8.390 -11.256 -5.442) 15.057 12.397 ( -4.492 -4.837 -4.256) 7.854 12.512 ( -9.621 -11.948 1.328) 15.398 13.716 ( 17.563 22.636 -9.442) 30.166 14.024 ( -9.710 13.953 -9.128) 19.295 14.515 ( 25.617 6.672 6.993) 27.380 14.650 ( 15.654 5.348 5.553) 17.449 14.886 ( -5.174 6.806 2.972) 9.051 15.038 ( 6.362 -15.504 -0.700) 16.773 15.280 ( -3.925 -9.933 8.782) 13.827 15.434 ( 3.437 -11.284 5.119) 12.858 15.518 ( -16.124 -16.746 -3.481) 23.506 15.600 ( 1.213 -10.152 7.870) 12.903 15.710 ( -2.528 -7.915 6.847) 10.767 16.005 ( -21.154 -10.366 12.369) 26.607 19.164 ( 8.522 10.051 -5.481) 14.271 19.324 ( -5.750 10.661 -4.890) 13.063 19.366 ( 10.694 0.510 -2.345) 10.960 19.587 ( -9.790 -1.306 -2.995) 10.321 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.000 -24.259 -4.535) 24.679 2.049 ( 0.000 24.259 -4.535) 24.679 2.207 ( 0.000 -23.121 5.629) 23.796 2.207 ( 0.000 23.121 5.629) 23.796 3.314 ( 0.000 -8.216 -7.423) 11.072 3.314 ( 0.000 8.216 -7.423) 11.072 3.735 ( 0.000 -13.027 1.372) 13.100 3.735 ( 0.000 13.027 1.372) 13.100 4.079 ( 0.000 -15.226 -2.408) 15.415 4.079 ( 0.000 15.226 -2.408) 15.415 4.113 ( 0.000 -11.508 -4.170) 12.240 4.113 ( 0.000 11.508 -4.170) 12.240 5.078 ( 0.000 -8.941 4.807) 10.152 5.078 ( 0.000 8.941 4.807) 10.152 5.241 ( 0.000 -0.830 7.509) 7.555 5.241 ( 0.000 0.830 7.509) 7.555 6.099 ( 0.000 -10.664 -4.316) 11.504 6.099 ( 0.000 10.664 -4.316) 11.504 6.754 ( 0.000 -5.260 -0.571) 5.291 6.754 ( 0.000 5.260 -0.571) 5.291 6.772 ( 0.000 -17.826 7.720) 19.426 6.772 ( 0.000 17.826 7.720) 19.426 7.828 ( 0.000 -12.226 3.711) 12.776 7.828 ( 0.000 12.226 3.711) 12.776 8.213 ( 0.000 -10.029 -0.603) 10.048 8.213 ( 0.000 10.029 -0.603) 10.048 8.377 ( 0.000 -1.978 -6.145) 6.456 8.377 ( 0.000 1.978 -6.145) 6.456 8.705 ( 0.000 -7.359 -1.877) 7.595 8.705 ( 0.000 7.359 -1.877) 7.595 8.976 ( 0.000 -8.580 9.978) 13.160 8.976 ( 0.000 8.580 9.978) 13.160 9.121 ( 0.000 -2.403 -7.526) 7.900 9.121 ( 0.000 2.403 -7.526) 7.900 10.355 ( 0.000 -6.706 -1.116) 6.798 10.355 ( 0.000 6.706 -1.116) 6.798 10.642 ( 0.000 -2.528 -0.196) 2.535 10.642 ( 0.000 2.528 -0.196) 2.535 11.155 ( 0.000 -7.530 -2.422) 7.910 11.155 ( 0.000 7.530 -2.422) 7.910 11.756 ( 0.000 -0.030 12.719) 12.719 11.756 ( 0.000 0.030 12.719) 12.719 13.048 ( 0.000 -5.194 -9.523) 10.847 13.048 ( 0.000 5.194 -9.523) 10.847 13.232 ( 0.000 -5.094 -8.005) 9.489 13.232 ( 0.000 5.094 -8.005) 9.489 13.805 ( 0.000 -42.571 5.916) 42.980 13.805 ( 0.000 42.571 5.916) 42.980 14.661 ( 0.000 -17.663 9.642) 20.124 14.661 ( 0.000 17.663 9.642) 20.124 15.446 ( 0.000 -1.799 12.128) 12.260 15.446 ( 0.000 1.799 12.128) 12.260 16.126 ( 0.000 -3.093 -8.327) 8.883 16.126 ( 0.000 3.093 -8.327) 8.883 16.627 ( 0.000 -10.972 -19.613) 22.474 16.627 ( 0.000 10.972 -19.613) 22.474 18.621 ( 0.000 -5.968 14.381) 15.570 18.621 ( 0.000 5.968 14.381) 15.570 19.857 ( 0.000 -7.163 -1.219) 7.266 19.857 ( 0.000 7.163 -1.219) 7.266 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.497 -23.380 -2.865) 23.560 2.056 ( 0.497 23.380 -2.865) 23.560 2.231 ( 2.616 -22.949 5.667) 23.783 2.231 ( 2.616 22.949 5.667) 23.783 3.261 ( -5.469 -4.740 -8.442) 11.120 3.261 ( -5.469 4.740 -8.442) 11.120 3.638 ( -8.413 -11.169 1.588) 14.073 3.638 ( -8.413 11.169 1.588) 14.073 4.047 ( -2.947 -7.330 -5.137) 9.423 4.047 ( -2.947 7.330 -5.137) 9.423 4.155 ( 1.914 -7.823 -1.873) 8.269 4.155 ( 1.914 7.823 -1.873) 8.269 5.060 ( 0.164 -5.864 1.161) 5.980 5.060 ( 0.164 5.864 1.161) 5.980 5.349 ( 10.348 -5.895 9.042) 14.953 5.349 ( 10.348 5.895 9.042) 14.953 6.132 ( 3.041 -9.357 -2.773) 10.222 6.132 ( 3.041 9.357 -2.773) 10.222 6.719 ( -4.135 -15.040 6.520) 16.906 6.719 ( -4.135 15.040 6.520) 16.906 6.821 ( 5.691 -1.591 0.735) 5.955 6.821 ( 5.691 1.591 0.735) 5.955 7.846 ( 1.591 -9.779 3.095) 10.379 7.846 ( 1.591 9.779 3.095) 10.379 8.183 ( -2.797 -11.415 0.448) 11.761 8.183 ( -2.797 11.415 0.448) 11.761 8.222 ( -11.520 -4.078 -6.561) 13.871 8.222 ( -11.520 4.078 -6.561) 13.871 8.688 ( -1.468 -5.691 -2.527) 6.398 8.688 ( -1.468 5.691 -2.527) 6.398 8.983 ( 0.336 -6.453 10.689) 12.490 8.983 ( 0.336 6.453 10.689) 12.490 9.400 ( 21.862 -3.817 -6.358) 23.086 9.400 ( 21.862 3.817 -6.358) 23.086 10.311 ( -3.772 -5.821 -1.986) 7.216 10.311 ( -3.772 5.821 -1.986) 7.216 10.674 ( 3.538 -1.932 -0.059) 4.031 10.674 ( 3.538 1.932 -0.059) 4.031 11.237 ( 6.960 -9.577 -1.079) 11.888 11.237 ( 6.960 9.577 -1.079) 11.888 11.848 ( 8.800 -2.685 8.311) 12.399 11.848 ( 8.800 2.685 8.311) 12.399 13.009 ( -4.277 -1.707 -8.655) 9.804 13.009 ( -4.277 1.707 -8.655) 9.804 13.222 ( 0.537 -8.200 -5.196) 9.722 13.222 ( 0.537 8.200 -5.196) 9.722 13.866 ( 5.860 -41.533 5.657) 42.324 13.866 ( 5.860 41.533 5.657) 42.324 14.711 ( 4.855 -16.599 9.061) 19.524 14.711 ( 4.855 16.599 9.061) 19.524 15.392 ( -5.434 -6.872 11.655) 14.580 15.392 ( -5.434 6.872 11.655) 14.580 15.979 ( -11.758 -6.548 -11.283) 17.563 15.979 ( -11.758 6.548 -11.283) 17.563 16.647 ( -0.456 -10.045 -11.836) 15.531 16.647 ( -0.456 10.045 -11.836) 15.531 18.687 ( 6.382 -4.693 10.254) 12.957 18.687 ( 6.382 4.693 10.254) 12.957 19.836 ( -2.040 -7.134 -1.456) 7.561 19.836 ( -2.040 7.134 -1.456) 7.561 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 1.611 -19.709 -0.267) 19.777 2.073 ( 1.611 19.709 -0.267) 19.777 2.306 ( 4.006 -20.795 6.785) 22.238 2.306 ( 4.006 20.795 6.785) 22.238 3.107 ( -8.760 -2.350 -9.639) 13.235 3.107 ( -8.760 2.350 -9.639) 13.235 3.444 ( -10.111 -7.640 2.108) 12.847 3.444 ( -10.111 7.640 2.108) 12.847 3.940 ( -7.717 -7.159 -5.606) 11.926 3.940 ( -7.717 7.159 -5.606) 11.926 4.120 ( -6.060 -1.882 -1.808) 6.598 4.120 ( -6.060 1.882 -1.808) 6.598 5.171 ( 11.563 -5.973 -6.696) 14.636 5.171 ( 11.563 5.973 -6.696) 14.636 5.635 ( 17.407 -13.286 11.223) 24.606 5.635 ( 17.407 13.286 11.223) 24.606 6.204 ( 3.514 -7.145 -0.731) 7.996 6.204 ( 3.514 7.145 -0.731) 7.996 6.627 ( -3.811 -10.452 5.520) 12.420 6.627 ( -3.811 10.452 5.520) 12.420 6.965 ( 7.383 -1.209 2.087) 7.767 6.965 ( 7.383 1.209 2.087) 7.767 7.876 ( -1.186 -7.149 1.273) 7.358 7.876 ( -1.186 7.149 1.273) 7.358 7.937 ( -13.325 -4.669 -8.096) 16.276 7.937 ( -13.325 4.669 -8.096) 16.276 8.139 ( -2.806 -5.644 1.454) 6.469 8.139 ( -2.806 5.644 1.454) 6.469 8.676 ( 0.806 -7.050 0.017) 7.096 8.676 ( 0.806 7.050 0.017) 7.096 8.979 ( -0.908 -5.775 12.233) 13.558 8.979 ( -0.908 5.775 12.233) 13.558 9.810 ( 16.218 -7.790 -3.592) 18.347 9.810 ( 16.218 7.790 -3.592) 18.347 10.231 ( -3.759 -4.155 -2.689) 6.215 10.231 ( -3.759 4.155 -2.689) 6.215 10.815 ( 11.348 -4.464 -1.327) 12.266 10.815 ( 11.348 4.464 -1.327) 12.266 11.388 ( 7.545 -14.130 1.241) 16.066 11.388 ( 7.545 14.130 1.241) 16.066 12.047 ( 8.301 -9.649 -2.005) 12.885 12.047 ( 8.301 9.649 -2.005) 12.885 12.860 ( -10.474 -4.100 -6.822) 13.155 12.860 ( -10.474 4.100 -6.822) 13.155 13.347 ( 14.080 -9.561 0.094) 17.020 13.347 ( 14.080 9.561 0.094) 17.020 14.025 ( 9.615 -37.201 6.207) 38.922 14.025 ( 9.615 37.201 6.207) 38.922 14.851 ( 8.844 -13.212 7.826) 17.721 14.851 ( 8.844 13.212 7.826) 17.721 15.231 ( -10.043 -11.595 9.526) 18.057 15.231 ( -10.043 11.595 9.526) 18.057 15.739 ( -11.400 -9.412 -11.992) 19.035 15.739 ( -11.400 9.412 -11.992) 19.035 16.544 ( -10.321 -9.571 -0.612) 14.089 16.544 ( -10.321 9.571 -0.612) 14.089 18.862 ( 10.547 -1.788 2.804) 11.059 18.862 ( 10.547 1.788 2.804) 11.059 19.774 ( -4.173 -6.996 -2.103) 8.413 19.774 ( -4.173 6.996 -2.103) 8.413 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 3.609 -15.013 0.995) 15.473 2.128 ( 3.609 15.013 0.995) 15.473 2.345 ( -0.967 -15.547 8.457) 17.725 2.345 ( -0.967 15.547 8.457) 17.725 2.973 ( -3.048 -1.833 -8.621) 9.326 2.973 ( -3.048 1.833 -8.621) 9.326 3.258 ( -7.894 -4.260 1.623) 9.116 3.258 ( -7.894 4.260 1.623) 9.116 3.764 ( -8.594 -5.021 -5.109) 11.187 3.764 ( -8.594 5.021 -5.109) 11.187 3.945 ( -10.141 -3.847 -2.138) 11.055 3.945 ( -10.141 3.847 -2.138) 11.055 5.476 ( 17.016 -6.048 -12.505) 21.965 5.476 ( 17.016 6.048 -12.505) 21.965 6.004 ( 16.463 -17.359 11.875) 26.710 6.004 ( 16.463 17.359 11.875) 26.710 6.244 ( 1.508 -13.051 -4.548) 13.903 6.244 ( 1.508 13.051 -4.548) 13.903 6.631 ( 5.625 -7.877 6.216) 11.503 6.631 ( 5.625 7.877 6.216) 11.503 7.047 ( -1.040 -2.217 4.766) 5.358 7.047 ( -1.040 2.217 4.766) 5.358 7.560 ( -18.916 -6.994 -8.301) 21.810 7.560 ( -18.916 6.994 -8.301) 21.810 7.929 ( 1.803 -3.099 -0.958) 3.711 7.929 ( 1.803 3.099 -0.958) 3.711 8.075 ( -3.192 -4.471 2.922) 6.222 8.075 ( -3.192 4.471 2.922) 6.222 8.723 ( 3.632 -7.457 3.542) 9.019 8.723 ( 3.632 7.457 3.542) 9.019 8.946 ( -2.337 -5.344 11.977) 13.322 8.946 ( -2.337 5.344 11.977) 13.322 10.018 ( 5.444 -6.831 -0.442) 8.746 10.018 ( 5.444 6.831 -0.442) 8.746 10.168 ( -2.511 -2.308 -1.857) 3.883 10.168 ( -2.511 2.308 -1.857) 3.883 11.124 ( 17.996 -10.782 -3.492) 21.268 11.124 ( 17.996 10.782 -3.492) 21.268 11.534 ( 6.760 -19.627 2.674) 20.930 11.534 ( 6.760 19.627 2.674) 20.930 12.117 ( -0.562 -15.369 -7.813) 17.250 12.117 ( -0.562 15.369 -7.813) 17.250 12.604 ( -14.477 -5.653 -4.846) 16.280 12.604 ( -14.477 5.653 -4.846) 16.280 13.792 ( 27.644 -11.242 -2.013) 29.911 13.792 ( 27.644 11.242 -2.013) 29.911 14.244 ( 12.069 -27.305 8.281) 30.981 14.244 ( 12.069 27.305 8.281) 30.981 14.978 ( -6.107 -14.546 3.521) 16.164 14.978 ( -6.107 14.546 3.521) 16.164 15.096 ( 7.047 -8.178 10.704) 15.203 15.096 ( 7.047 8.178 10.704) 15.203 15.518 ( -10.960 -9.054 -10.940) 17.938 15.518 ( -10.960 9.054 -10.940) 17.938 16.237 ( -19.624 -9.544 8.240) 23.326 16.237 ( -19.624 9.544 8.240) 23.326 19.090 ( 11.703 -1.910 -2.033) 12.031 19.090 ( 11.703 1.910 -2.033) 12.031 19.668 ( -6.442 -6.613 -2.968) 9.698 19.668 ( -6.442 6.613 -2.968) 9.698 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 3.577 -11.094 2.979) 12.031 2.201 ( 3.577 11.094 2.979) 12.031 2.280 ( -4.322 -11.586 6.056) 13.769 2.280 ( -4.322 11.586 6.056) 13.769 2.998 ( 4.815 -1.664 -3.705) 6.300 2.998 ( 4.815 1.664 -3.705) 6.300 3.122 ( -6.458 -1.701 -0.844) 6.731 3.122 ( -6.458 1.701 -0.844) 6.731 3.659 ( -0.364 -4.380 -3.861) 5.850 3.659 ( -0.364 4.380 -3.861) 5.850 3.751 ( -8.293 -4.948 -2.869) 10.075 3.751 ( -8.293 4.948 -2.869) 10.075 5.801 ( 14.496 -4.034 -11.167) 18.738 5.801 ( 14.496 4.034 -11.167) 18.738 6.037 ( -8.526 -7.447 -3.126) 11.744 6.037 ( -8.526 7.447 -3.126) 11.744 6.500 ( 19.306 -11.432 -0.932) 22.456 6.500 ( 19.306 11.432 -0.932) 22.456 6.806 ( 1.571 -6.629 1.106) 6.902 6.806 ( 1.571 6.629 1.106) 6.902 6.920 ( -1.943 -3.163 9.044) 9.776 6.920 ( -1.943 3.163 9.044) 9.776 7.191 ( -17.388 -5.311 0.585) 18.191 7.191 ( -17.388 5.311 0.585) 18.191 7.971 ( 2.442 -2.388 -0.862) 3.522 7.971 ( 2.442 2.388 -0.862) 3.522 8.021 ( -2.408 -2.343 0.787) 3.451 8.021 ( -2.408 2.343 0.787) 3.451 8.806 ( 4.275 -5.731 7.050) 10.041 8.806 ( 4.275 5.731 7.050) 10.041 8.886 ( -3.569 -4.783 9.990) 11.637 8.886 ( -3.569 4.783 9.990) 11.637 10.084 ( 2.160 -4.056 0.065) 4.596 10.084 ( 2.160 4.056 0.065) 4.596 10.124 ( -2.015 -2.033 -0.477) 2.902 10.124 ( -2.015 2.033 -0.477) 2.902 11.463 ( 13.961 -17.657 -3.249) 22.743 11.463 ( 13.961 17.657 -3.249) 22.743 11.618 ( -0.534 -23.097 1.534) 23.154 11.618 ( -0.534 23.097 1.534) 23.154 12.115 ( 3.503 -13.269 -7.236) 15.515 12.115 ( 3.503 13.269 -7.236) 15.515 12.307 ( -13.980 -7.443 -4.148) 16.372 12.307 ( -13.980 7.443 -4.148) 16.372 14.286 ( 17.810 -17.799 -5.591) 25.793 14.286 ( 17.810 17.799 -5.591) 25.793 14.460 ( 3.613 -7.038 3.889) 8.815 14.460 ( 3.613 7.038 3.889) 8.815 14.890 ( 6.252 -12.028 2.465) 13.779 14.890 ( 6.252 12.028 2.465) 13.779 15.174 ( -11.922 -5.474 -1.498) 13.204 15.174 ( -11.922 5.474 -1.498) 13.204 15.430 ( 11.781 -2.655 6.128) 13.542 15.430 ( 11.781 2.655 6.128) 13.542 15.800 ( -22.131 -8.553 13.280) 27.190 15.800 ( -22.131 8.553 13.280) 27.190 19.318 ( 10.746 -4.253 -3.752) 12.151 19.318 ( 10.746 4.253 -3.752) 12.151 19.515 ( -8.753 -5.781 -3.716) 11.128 19.515 ( -8.753 5.781 -3.716) 11.128 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.000 0.000 28.183) 28.183 1.423 ( 0.000 0.000 31.970) 31.970 2.350 ( 0.000 0.000 43.561) 43.561 2.756 ( 0.000 0.000 -19.409) 19.409 2.937 ( 0.000 0.000 5.338) 5.338 3.019 ( 0.000 0.000 1.592) 1.592 3.459 ( 0.000 0.000 -0.573) 0.573 3.546 ( 0.000 0.000 1.825) 1.825 3.972 ( 0.000 0.000 -21.631) 21.631 4.040 ( 0.000 0.000 -16.911) 16.911 4.097 ( 0.000 0.000 -9.876) 9.876 4.616 ( 0.000 0.000 -5.239) 5.239 4.945 ( 0.000 0.000 5.342) 5.342 5.216 ( 0.000 0.000 -0.818) 0.818 5.407 ( 0.000 0.000 -2.848) 2.848 5.428 ( 0.000 0.000 6.497) 6.497 5.744 ( 0.000 0.000 14.666) 14.666 6.051 ( 0.000 0.000 14.136) 14.136 6.630 ( 0.000 0.000 10.066) 10.066 6.766 ( 0.000 0.000 -8.080) 8.080 7.162 ( 0.000 0.000 1.621) 1.621 7.427 ( 0.000 0.000 3.462) 3.462 7.557 ( 0.000 0.000 -5.625) 5.625 7.811 ( 0.000 0.000 0.138) 0.138 7.847 ( 0.000 0.000 7.764) 7.764 8.110 ( 0.000 0.000 -20.782) 20.782 8.283 ( 0.000 0.000 -8.347) 8.347 8.449 ( 0.000 0.000 -12.280) 12.280 8.520 ( 0.000 0.000 -1.122) 1.122 8.723 ( 0.000 0.000 9.055) 9.055 8.919 ( 0.000 0.000 -2.266) 2.266 9.126 ( 0.000 0.000 -8.930) 8.930 9.388 ( 0.000 0.000 -9.601) 9.601 10.095 ( 0.000 0.000 -9.676) 9.676 10.167 ( 0.000 0.000 12.782) 12.782 10.423 ( 0.000 0.000 2.936) 2.936 10.445 ( 0.000 0.000 6.822) 6.822 10.651 ( 0.000 0.000 12.095) 12.095 10.720 ( 0.000 0.000 -0.390) 0.390 10.972 ( 0.000 0.000 6.024) 6.024 11.885 ( 0.000 0.000 13.026) 13.026 11.939 ( 0.000 0.000 4.100) 4.100 12.285 ( 0.000 0.000 33.068) 33.068 12.458 ( 0.000 0.000 -9.141) 9.141 12.707 ( 0.000 0.000 -21.940) 21.940 13.206 ( 0.000 0.000 -12.652) 12.652 13.380 ( 0.000 0.000 9.395) 9.395 14.706 ( 0.000 0.000 23.213) 23.213 15.290 ( 0.000 0.000 -34.407) 34.407 15.449 ( 0.000 0.000 11.017) 11.017 15.683 ( 0.000 0.000 -14.088) 14.088 15.700 ( 0.000 0.000 0.380) 0.380 16.066 ( 0.000 0.000 -10.704) 10.704 16.259 ( 0.000 0.000 1.810) 1.810 16.342 ( 0.000 0.000 -1.306) 1.306 16.749 ( 0.000 0.000 -4.104) 4.104 18.810 ( 0.000 0.000 2.812) 2.812 18.831 ( 0.000 0.000 22.233) 22.233 19.172 ( 0.000 0.000 -2.331) 2.331 19.938 ( 0.000 0.000 -2.544) 2.544 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 5.666 0.000 25.292) 25.919 1.586 ( 15.123 0.000 27.466) 31.354 2.596 ( 21.588 0.000 39.168) 44.723 2.783 ( 2.548 0.000 -19.266) 19.434 2.964 ( -4.287 0.000 0.028) 4.287 2.965 ( 2.617 0.000 5.355) 5.961 3.422 ( -6.282 0.000 -0.087) 6.282 3.516 ( 0.185 0.000 0.025) 0.187 3.891 ( -7.084 0.000 -15.676) 17.203 4.000 ( -3.775 0.000 -16.082) 16.519 4.072 ( -4.080 0.000 -12.911) 13.540 4.519 ( -9.298 0.000 -4.327) 10.256 4.902 ( -2.760 0.000 4.535) 5.309 5.179 ( -3.240 0.000 -0.219) 3.247 5.220 ( -10.477 0.000 1.803) 10.631 5.425 ( -0.241 0.000 4.130) 4.137 5.908 ( 9.531 0.000 10.261) 14.005 6.176 ( 11.500 0.000 13.859) 18.009 6.747 ( 10.674 0.000 8.321) 13.534 6.787 ( 2.088 0.000 -7.336) 7.628 7.164 ( 0.578 0.000 0.151) 0.597 7.368 ( -6.554 0.000 -0.914) 6.617 7.574 ( 1.896 0.000 -1.795) 2.611 7.623 ( -15.505 0.000 -5.168) 16.344 7.880 ( 1.658 0.000 6.358) 6.570 8.067 ( -4.041 0.000 -16.869) 17.346 8.294 ( -7.623 0.000 1.510) 7.771 8.364 ( 6.744 0.000 0.552) 6.766 8.529 ( 0.634 0.000 -1.674) 1.790 8.858 ( 0.804 0.000 -3.596) 3.685 8.962 ( 9.641 0.000 -3.498) 10.256 9.250 ( 9.921 0.000 -4.964) 11.093 9.414 ( 2.160 0.000 -8.666) 8.931 10.058 ( -5.603 0.000 -1.325) 5.757 10.305 ( 8.430 0.000 0.625) 8.453 10.441 ( 1.499 0.000 6.171) 6.351 10.516 ( 7.263 0.000 4.695) 8.648 10.571 ( 4.402 0.000 0.520) 4.432 10.837 ( 3.021 0.000 5.854) 6.588 11.013 ( 3.527 0.000 6.510) 7.404 11.703 ( -9.513 0.000 10.835) 14.419 11.951 ( 2.909 0.000 5.431) 6.161 12.528 ( 4.730 0.000 -13.060) 13.890 12.649 ( 28.027 0.000 31.087) 41.856 12.762 ( 5.639 0.000 -21.854) 22.570 13.143 ( -6.090 0.000 -12.640) 14.031 13.413 ( 3.891 0.000 14.341) 14.859 14.739 ( 3.585 0.000 22.371) 22.656 14.954 ( -24.312 0.000 -30.997) 39.394 15.473 ( 1.948 0.000 9.652) 9.847 15.593 ( -11.065 0.000 11.077) 15.657 15.860 ( -7.339 0.000 -4.486) 8.602 15.904 ( 12.737 0.000 -13.858) 18.822 16.284 ( 2.342 0.000 1.407) 2.732 16.637 ( 16.402 0.000 -13.028) 20.947 16.739 ( -0.891 0.000 -3.648) 3.755 18.670 ( -11.671 0.000 3.847) 12.288 18.854 ( 2.413 0.000 19.431) 19.581 19.137 ( -3.435 0.000 -3.081) 4.615 19.911 ( -2.666 0.000 -2.824) 3.883 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 10.854 0.000 15.853) 19.213 1.971 ( 21.773 0.000 19.267) 29.074 2.784 ( -5.042 0.000 -3.336) 6.045 2.882 ( 4.591 0.000 -1.098) 4.720 3.031 ( 3.517 0.000 5.342) 6.395 3.095 ( 12.325 0.000 7.911) 14.645 3.296 ( -0.451 0.000 -0.649) 0.790 3.540 ( 3.344 0.000 5.424) 6.372 3.717 ( -9.540 0.000 -9.659) 13.576 3.900 ( -6.032 0.000 -16.107) 17.200 3.903 ( -12.112 0.000 -9.963) 15.683 4.280 ( -12.825 0.000 -1.202) 12.881 4.892 ( 1.656 0.000 -1.530) 2.255 5.087 ( -2.574 0.000 -1.379) 2.921 5.099 ( -4.548 0.000 0.262) 4.556 5.433 ( 1.911 0.000 0.667) 2.024 6.080 ( 8.622 0.000 10.636) 13.692 6.464 ( 16.081 0.000 13.503) 20.998 6.851 ( 4.153 0.000 -6.101) 7.381 6.991 ( 11.249 0.000 3.005) 11.643 7.129 ( -14.902 0.000 -7.880) 16.858 7.213 ( 1.872 0.000 -0.426) 1.920 7.247 ( -20.485 0.000 -9.856) 22.733 7.632 ( 3.383 0.000 2.992) 4.517 7.909 ( 1.427 0.000 7.879) 8.007 7.967 ( -5.483 0.000 -10.797) 12.110 8.195 ( -2.921 0.000 3.518) 4.572 8.459 ( -0.752 0.000 5.722) 5.771 8.596 ( 8.902 0.000 1.388) 9.010 8.846 ( 0.076 0.000 -1.430) 1.432 9.162 ( 8.646 0.000 -2.642) 9.041 9.445 ( 8.128 0.000 -0.881) 8.175 9.445 ( 0.180 0.000 -5.590) 5.593 9.915 ( -7.534 0.000 -1.841) 7.756 10.311 ( -2.324 0.000 4.215) 4.813 10.478 ( 2.164 0.000 9.862) 10.097 10.737 ( 14.341 0.000 2.897) 14.631 10.775 ( -7.457 0.000 9.246) 11.878 10.929 ( 22.797 0.000 -13.836) 26.667 11.053 ( -1.109 0.000 12.569) 12.618 11.652 ( 5.930 0.000 -3.405) 6.838 12.088 ( 9.752 0.000 5.978) 11.438 12.565 ( -1.496 0.000 -15.218) 15.292 12.888 ( 4.272 0.000 -25.491) 25.847 12.970 ( -9.814 0.000 -9.909) 13.947 13.307 ( 35.828 0.000 27.606) 45.229 13.591 ( 15.188 0.000 22.807) 27.401 14.430 ( -27.202 0.000 -29.555) 40.168 14.860 ( 8.034 0.000 20.203) 21.742 15.336 ( -10.577 0.000 15.617) 18.862 15.541 ( 3.434 0.000 9.917) 10.494 15.789 ( -1.512 0.000 -3.295) 3.626 16.060 ( 1.272 0.000 -7.257) 7.367 16.346 ( 3.911 0.000 2.490) 4.636 16.716 ( -1.341 0.000 -2.428) 2.774 16.853 ( 3.714 0.000 -8.762) 9.517 18.448 ( -8.292 0.000 -1.110) 8.366 18.936 ( 5.953 0.000 12.006) 13.400 19.037 ( -6.460 0.000 -5.150) 8.262 19.831 ( -5.344 0.000 -3.538) 6.409 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 15.520 0.000 4.812) 16.249 2.411 ( 21.024 0.000 12.268) 24.342 2.651 ( -7.751 0.000 -2.511) 8.148 2.973 ( 2.754 0.000 -11.852) 12.168 3.053 ( -6.015 0.000 -1.711) 6.254 3.081 ( 0.608 0.000 5.138) 5.174 3.307 ( -3.032 0.000 -0.532) 3.078 3.537 ( -7.632 0.000 -5.536) 9.429 3.643 ( -12.213 0.000 -6.713) 13.936 3.693 ( -3.110 0.000 4.278) 5.289 3.831 ( 7.517 0.000 -3.202) 8.171 4.083 ( -5.671 0.000 3.336) 6.579 4.918 ( -0.024 0.000 -3.267) 3.267 5.006 ( -4.460 0.000 0.412) 4.479 5.151 ( 10.628 0.000 -6.701) 12.564 5.552 ( 10.836 0.000 -5.924) 12.349 6.278 ( 9.508 0.000 7.406) 12.052 6.726 ( -20.785 0.000 -9.485) 22.847 6.735 ( -9.121 0.000 3.536) 9.782 6.820 ( 0.644 0.000 -10.098) 10.118 6.940 ( 2.659 0.000 -2.460) 3.622 7.193 ( 4.877 0.000 8.232) 9.569 7.287 ( 4.145 0.000 -3.884) 5.680 7.650 ( -3.746 0.000 2.716) 4.627 7.892 ( 0.247 0.000 -3.893) 3.901 7.959 ( 4.120 0.000 8.328) 9.292 8.150 ( -2.201 0.000 4.185) 4.729 8.380 ( -6.016 0.000 4.965) 7.801 8.823 ( 12.366 0.000 6.136) 13.804 8.891 ( 4.612 0.000 1.951) 5.008 9.270 ( 0.762 0.000 4.751) 4.812 9.405 ( -4.330 0.000 -1.159) 4.482 9.556 ( 3.793 0.000 -3.527) 5.179 9.801 ( -3.316 0.000 -3.767) 5.019 10.287 ( 0.095 0.000 5.979) 5.980 10.532 ( 3.481 0.000 12.185) 12.672 10.580 ( -10.260 0.000 8.960) 13.622 10.898 ( -4.988 0.000 15.506) 16.288 11.150 ( 18.085 0.000 0.395) 18.090 11.387 ( 21.883 0.000 -12.351) 25.128 11.866 ( 10.853 0.000 -10.556) 15.139 12.261 ( 3.596 0.000 2.879) 4.607 12.503 ( -1.341 0.000 -12.459) 12.531 12.787 ( -5.699 0.000 -12.919) 14.121 12.892 ( -3.262 0.000 -19.959) 20.223 13.863 ( -24.442 0.000 -24.141) 34.354 13.985 ( 21.501 0.000 18.426) 28.316 14.084 ( 36.022 0.000 21.961) 42.189 14.918 ( -6.752 0.000 15.073) 16.516 15.325 ( 13.613 0.000 16.187) 21.150 15.614 ( 3.585 0.000 7.635) 8.435 15.775 ( 0.083 0.000 0.647) 0.652 15.924 ( -14.625 0.000 1.990) 14.759 16.442 ( 5.280 0.000 3.239) 6.195 16.683 ( -2.080 0.000 -0.709) 2.198 16.755 ( -13.346 0.000 4.254) 14.008 18.386 ( 2.219 0.000 -10.264) 10.502 18.882 ( -8.736 0.000 -8.118) 11.925 19.093 ( 9.464 0.000 3.552) 10.109 19.697 ( -7.930 0.000 -4.274) 9.009 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 18.738 0.000 -2.962) 18.971 2.429 ( -15.328 0.000 -5.817) 16.394 2.783 ( 15.546 0.000 7.251) 17.153 2.949 ( -1.921 0.000 -3.210) 3.741 2.966 ( -2.955 0.000 -6.690) 7.313 3.018 ( -7.452 0.000 4.990) 8.968 3.345 ( 6.940 0.000 -4.066) 8.044 3.436 ( -2.133 0.000 -3.633) 4.213 3.462 ( -5.119 0.000 -4.549) 6.848 3.522 ( -9.706 0.000 -5.880) 11.348 3.959 ( 3.558 0.000 7.441) 8.248 4.019 ( -2.498 0.000 7.464) 7.871 4.905 ( -0.258 0.000 -0.973) 1.007 4.930 ( -2.764 0.000 0.076) 2.765 5.531 ( 25.501 0.000 -11.069) 27.800 5.861 ( 19.127 0.000 -12.683) 22.949 6.080 ( -26.567 0.000 -11.824) 29.080 6.290 ( -22.990 0.000 -15.627) 27.798 6.676 ( 12.976 0.000 5.959) 14.279 6.907 ( -7.301 0.000 2.539) 7.730 7.053 ( 10.489 0.000 8.672) 13.609 7.201 ( -3.890 0.000 8.160) 9.040 7.379 ( 5.426 0.000 -4.930) 7.331 7.512 ( -7.732 0.000 -2.409) 8.099 7.971 ( 5.888 0.000 2.482) 6.390 8.078 ( 7.387 0.000 7.422) 10.472 8.084 ( -4.675 0.000 3.831) 6.044 8.236 ( -7.930 0.000 6.184) 10.056 9.022 ( 7.967 0.000 5.257) 9.546 9.068 ( 11.569 0.000 5.812) 12.947 9.186 ( -7.564 0.000 7.436) 10.607 9.273 ( -8.606 0.000 3.033) 9.125 9.649 ( 5.386 0.000 -5.930) 8.011 9.744 ( -3.578 0.000 -3.957) 5.335 10.314 ( 2.666 0.000 7.916) 8.353 10.405 ( -6.656 0.000 8.842) 11.067 10.623 ( 5.659 0.000 13.892) 15.000 10.757 ( -7.400 0.000 15.522) 17.196 11.557 ( 20.164 0.000 -3.222) 20.419 11.795 ( 18.624 0.000 -9.385) 20.855 11.888 ( -10.209 0.000 -6.377) 12.037 12.124 ( -13.621 0.000 -6.221) 14.974 12.614 ( 8.898 0.000 -7.367) 11.552 12.782 ( -7.297 0.000 -12.282) 14.286 12.886 ( 16.315 0.000 -20.160) 25.934 13.331 ( -25.668 0.000 -24.516) 35.495 14.384 ( 17.622 0.000 13.399) 22.137 14.695 ( -13.575 0.000 12.404) 18.388 14.843 ( 36.250 0.000 19.368) 41.100 15.494 ( -27.659 0.000 11.550) 29.974 15.645 ( 7.513 0.000 2.332) 7.866 15.678 ( 2.160 0.000 5.346) 5.766 15.879 ( 17.792 0.000 15.048) 23.302 16.361 ( -24.300 0.000 13.371) 27.736 16.544 ( 4.741 0.000 2.405) 5.316 16.628 ( -3.492 0.000 1.020) 3.638 18.504 ( 8.492 0.000 -13.192) 15.689 18.694 ( -9.806 0.000 -11.296) 14.959 19.302 ( 10.891 0.000 -2.059) 11.083 19.515 ( -10.050 0.000 -4.219) 10.900 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 2.276 27.926) 28.018 1.439 ( 0.000 17.307 23.029) 28.807 2.624 ( 0.000 -9.882 -14.379) 17.448 2.671 ( 0.000 22.265 29.964) 37.331 2.978 ( 0.000 -4.373 6.082) 7.491 3.046 ( 0.000 6.573 -0.218) 6.576 3.404 ( 0.000 -2.643 -2.513) 3.647 3.558 ( 0.000 2.481 -1.677) 2.994 3.804 ( 0.000 -10.900 -16.935) 20.140 3.989 ( 0.000 0.876 -21.266) 21.284 4.209 ( 0.000 0.617 -7.214) 7.241 4.502 ( 0.000 -9.059 -6.096) 10.919 4.962 ( 0.000 -0.404 3.921) 3.942 5.347 ( 0.000 -1.368 4.039) 4.265 5.403 ( 0.000 14.097 3.298) 14.478 5.516 ( 0.000 9.001 4.479) 10.053 5.699 ( 0.000 -3.584 14.775) 15.204 6.052 ( 0.000 -0.398 13.947) 13.953 6.631 ( 0.000 0.245 6.722) 6.726 6.756 ( 0.000 -0.569 -6.822) 6.846 7.052 ( 0.000 -9.552 3.342) 10.120 7.464 ( 0.000 -7.932 -3.679) 8.744 7.476 ( 0.000 4.861 3.464) 5.969 7.908 ( 0.000 5.271 6.843) 8.638 7.932 ( 0.000 7.161 -3.992) 8.198 8.107 ( 0.000 -0.166 -20.064) 20.064 8.243 ( 0.000 -3.339 -6.495) 7.303 8.483 ( 0.000 -1.262 -2.066) 2.421 8.543 ( 0.000 7.209 -13.626) 15.416 8.790 ( 0.000 -10.906 -2.849) 11.272 8.824 ( 0.000 6.426 7.902) 10.185 9.095 ( 0.000 -1.465 -6.282) 6.450 9.242 ( 0.000 -11.835 -8.908) 14.813 9.862 ( 0.000 -14.487 11.914) 18.757 10.158 ( 0.000 2.372 4.420) 5.017 10.520 ( 0.000 5.007 5.877) 7.721 10.529 ( 0.000 2.289 1.799) 2.911 10.675 ( 0.000 -3.373 -0.592) 3.424 10.891 ( 0.000 17.640 -0.349) 17.643 10.976 ( 0.000 0.710 5.426) 5.473 11.842 ( 0.000 -2.570 2.115) 3.328 12.204 ( 0.000 -6.385 19.935) 20.932 12.230 ( 0.000 24.304 14.149) 28.123 12.514 ( 0.000 5.077 -9.840) 11.073 12.799 ( 0.000 7.314 -9.086) 11.664 13.151 ( 0.000 -4.181 -12.723) 13.392 13.421 ( 0.000 2.420 9.895) 10.186 14.673 ( 0.000 -2.004 21.898) 21.989 15.314 ( 0.000 0.388 -26.631) 26.634 15.342 ( 0.000 -10.402 10.545) 14.812 15.715 ( 0.000 2.800 -12.290) 12.605 15.730 ( 0.000 2.475 0.344) 2.499 15.984 ( 0.000 -20.749 -1.494) 20.803 16.048 ( 0.000 -1.772 -11.201) 11.340 16.123 ( 0.000 -15.238 8.647) 17.521 16.670 ( 0.000 -7.119 -12.640) 14.507 18.841 ( 0.000 1.176 20.775) 20.809 18.884 ( 0.000 4.609 4.178) 6.221 19.328 ( 0.000 12.282 -1.897) 12.428 19.939 ( 0.000 -0.097 -2.582) 2.584 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 5.510 15.234 20.666) 26.259 1.555 ( 13.411 1.825 25.042) 28.466 2.646 ( 1.818 -9.853 -12.499) 16.019 2.847 ( 14.119 12.786 16.441) 25.162 2.911 ( -2.812 1.007 10.092) 10.525 3.066 ( 0.217 2.881 2.328) 3.710 3.375 ( -3.393 -2.535 -2.646) 4.994 3.534 ( -1.385 4.128 -1.404) 4.575 3.770 ( -3.161 -9.899 -16.447) 19.455 3.940 ( -5.306 1.319 -17.081) 17.934 4.153 ( -5.588 -1.047 -8.284) 10.047 4.418 ( -8.055 -7.213 -5.783) 12.262 4.922 ( -2.433 1.264 3.889) 4.758 5.212 ( -8.318 0.749 4.609) 9.539 5.357 ( -4.562 10.270 4.791) 12.216 5.502 ( 0.098 9.148 0.877) 9.191 5.868 ( 11.273 -0.225 12.424) 16.778 6.178 ( 11.570 -0.812 13.679) 17.935 6.733 ( 9.199 -1.540 6.036) 11.110 6.784 ( 3.022 0.048 -5.754) 6.500 7.066 ( 1.791 -8.233 1.766) 8.609 7.316 ( -9.405 -5.607 -2.244) 11.177 7.577 ( 3.421 2.306 1.173) 4.289 7.713 ( -14.202 6.645 -6.736) 17.065 7.925 ( -2.158 2.878 2.273) 4.255 8.061 ( -3.626 -0.709 -11.981) 12.538 8.221 ( -3.819 -3.894 -1.960) 5.796 8.481 ( 4.510 1.403 -3.304) 5.764 8.569 ( 0.091 8.336 2.403) 8.676 8.779 ( 1.394 -6.429 -4.269) 7.842 8.978 ( 8.957 1.166 -2.583) 9.395 9.216 ( 8.478 -3.377 -3.612) 9.815 9.290 ( 5.532 -7.927 -8.039) 12.572 10.025 ( 13.484 -15.420 7.668) 21.872 10.101 ( -5.135 2.812 2.593) 6.403 10.505 ( -1.422 1.526 4.712) 5.152 10.567 ( 2.670 1.786 1.763) 3.664 10.648 ( 3.363 2.949 1.593) 4.748 10.989 ( 5.444 10.808 -0.007) 12.102 11.024 ( 3.442 4.109 2.706) 6.004 11.807 ( -2.917 4.105 2.458) 5.604 11.986 ( -3.807 4.822 12.800) 14.199 12.561 ( 8.168 0.998 -7.605) 11.205 12.614 ( 13.058 5.415 -4.075) 14.711 12.894 ( 12.188 8.102 9.304) 17.343 13.123 ( -2.289 -1.517 -14.592) 14.848 13.439 ( 2.907 1.837 15.198) 15.582 14.695 ( 1.263 -2.421 18.766) 18.963 15.034 ( -19.541 5.849 -24.873) 32.167 15.367 ( 2.356 -10.093 10.005) 14.405 15.609 ( -10.148 1.485 8.782) 13.502 15.822 ( -3.974 -3.574 -1.260) 5.491 15.920 ( 5.555 -9.027 -1.924) 10.772 16.040 ( 5.520 -8.888 -11.493) 15.542 16.315 ( 6.349 -20.816 -2.063) 21.860 16.732 ( 5.606 -4.506 -13.105) 14.949 18.782 ( -8.208 7.225 4.344) 11.766 18.865 ( 2.057 1.331 17.383) 17.555 19.296 ( -3.129 12.463 -2.506) 13.092 19.912 ( -2.669 -0.102 -2.875) 3.924 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 8.591 14.016 13.941) 21.555 1.906 ( 19.789 -3.323 19.405) 27.914 2.660 ( -1.177 -9.782 -6.361) 11.728 2.877 ( 2.552 -2.260 -7.761) 8.477 2.975 ( -3.935 -2.797 2.940) 5.652 3.228 ( 9.762 -0.820 8.578) 13.021 3.268 ( -4.259 2.376 1.010) 4.980 3.504 ( -3.028 -0.523 0.588) 3.128 3.721 ( 0.718 -0.183 -9.774) 9.802 3.786 ( -9.122 0.599 -11.645) 14.805 3.989 ( -10.020 -2.446 -6.528) 12.206 4.203 ( -12.360 -3.707 -4.234) 13.581 4.921 ( 2.493 2.956 -0.780) 3.945 5.092 ( -2.456 0.672 -0.375) 2.573 5.299 ( -0.805 12.631 5.139) 13.660 5.499 ( 0.500 9.051 -2.179) 9.323 6.096 ( 11.613 3.083 11.455) 16.601 6.467 ( 15.915 -0.651 12.193) 20.059 6.861 ( 3.876 0.084 -3.890) 5.492 6.942 ( 8.335 -5.258 4.428) 10.803 7.069 ( -13.707 -5.532 -7.607) 16.624 7.140 ( 5.489 -4.427 0.394) 7.063 7.329 ( -19.787 6.573 -9.779) 23.030 7.672 ( 2.336 3.523 2.128) 4.733 7.867 ( -3.446 -2.032 -2.069) 4.504 8.005 ( -1.211 1.297 -0.304) 1.800 8.138 ( -3.765 -3.668 1.124) 5.375 8.484 ( -3.743 -1.853 1.900) 4.588 8.662 ( 7.731 4.280 5.967) 10.663 8.828 ( 3.282 2.680 -0.773) 4.307 9.142 ( 7.554 -4.001 -1.587) 8.694 9.314 ( 1.658 -6.676 -2.287) 7.249 9.461 ( 8.739 1.126 -2.554) 9.174 9.986 ( -5.300 4.020 -0.211) 6.655 10.222 ( 3.830 -7.049 3.632) 8.806 10.517 ( 1.661 -4.939 6.936) 8.675 10.624 ( 3.045 4.296 6.939) 8.710 10.865 ( 16.509 -0.681 -1.187) 16.565 11.067 ( 1.461 6.941 5.856) 9.198 11.071 ( 4.167 8.410 -6.291) 11.299 11.790 ( 2.951 10.720 -4.417) 11.964 12.057 ( 8.482 -3.061 7.263) 11.578 12.625 ( -0.537 3.819 -14.757) 15.252 12.782 ( 3.069 -3.463 -19.778) 20.312 12.972 ( -6.439 -0.986 -6.774) 9.398 13.429 ( 31.508 8.787 20.870) 38.801 13.602 ( 14.229 1.025 21.891) 26.129 14.489 ( -21.689 5.434 -19.698) 29.799 14.891 ( 6.228 2.875 12.720) 14.452 15.341 ( -9.144 -0.839 11.007) 14.335 15.469 ( 2.129 -5.414 12.755) 14.019 15.757 ( -2.289 -2.978 -3.184) 4.925 16.027 ( 4.721 -24.895 5.220) 25.871 16.121 ( -0.108 3.894 -9.597) 10.357 16.362 ( -0.439 -25.769 -2.001) 25.850 16.817 ( 0.518 -4.775 -7.407) 8.828 18.625 ( -5.628 12.229 -1.006) 13.499 18.940 ( 5.489 0.823 10.267) 11.671 19.206 ( -5.732 12.894 -4.000) 14.666 19.832 ( -5.329 -0.095 -3.625) 6.445 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 12.384 9.412 5.780) 16.595 2.285 ( 15.910 -7.659 13.761) 22.386 2.627 ( -0.986 -4.964 -5.062) 7.158 2.881 ( -4.852 -6.768 -3.159) 8.907 2.983 ( 6.420 -0.630 -8.506) 10.676 3.062 ( -10.610 -8.473 -2.191) 13.754 3.348 ( -0.917 -8.218 3.202) 8.868 3.396 ( -5.824 1.471 -0.210) 6.010 3.599 ( -8.329 1.394 -5.766) 10.226 3.780 ( -10.633 -1.071 -4.297) 11.518 3.802 ( 2.507 -2.245 -2.120) 3.978 3.981 ( -8.175 -4.704 0.131) 9.433 5.007 ( 6.239 7.829 -1.023) 10.063 5.162 ( 8.516 3.201 -6.566) 11.220 5.292 ( 0.350 19.777 0.667) 19.791 5.592 ( 10.286 4.487 -5.642) 12.560 6.337 ( 10.529 5.507 7.621) 14.116 6.616 ( -17.670 -6.454 -4.447) 19.331 6.787 ( 7.532 -2.197 -1.954) 8.086 6.861 ( -18.002 6.839 -10.417) 21.894 6.987 ( 2.705 3.153 2.022) 4.620 7.160 ( 6.172 -4.708 6.882) 10.374 7.258 ( 5.005 -1.119 -0.270) 5.136 7.669 ( -3.427 0.997 4.140) 5.466 7.799 ( -1.773 -4.206 -4.788) 6.615 8.032 ( 3.712 2.546 5.914) 7.432 8.070 ( -3.496 -5.018 2.608) 6.648 8.382 ( -6.216 -1.277 4.374) 7.707 8.815 ( 7.691 -2.058 6.365) 10.193 8.932 ( 6.936 4.938 4.939) 9.843 9.250 ( 2.198 -5.538 4.246) 7.316 9.288 ( -4.178 -3.836 3.031) 6.431 9.603 ( 6.124 4.536 -4.842) 9.029 9.911 ( -2.420 6.819 -3.356) 7.976 10.251 ( 0.798 -2.852 4.856) 5.688 10.476 ( -5.718 -6.794 8.366) 12.201 10.681 ( 3.431 10.388 10.162) 14.932 11.015 ( -5.102 8.467 13.062) 16.381 11.192 ( 16.099 4.866 -1.608) 16.895 11.357 ( 21.102 -2.409 -13.450) 25.140 11.880 ( 2.599 2.518 -9.875) 10.517 12.261 ( 11.119 -3.678 1.186) 11.772 12.517 ( -10.791 -0.564 -12.934) 16.854 12.788 ( -0.659 1.389 -12.772) 12.865 12.872 ( -1.204 1.961 -13.148) 13.348 13.825 ( -6.518 -0.494 -7.334) 9.824 14.107 ( 24.462 7.114 18.486) 31.476 14.197 ( 15.901 10.796 6.170) 20.185 14.976 ( -5.032 4.839 11.627) 13.562 15.274 ( 9.540 -4.762 14.397) 17.915 15.547 ( 4.303 -5.806 8.803) 11.390 15.717 ( -1.890 -4.800 0.739) 5.212 15.977 ( -12.601 1.158 -0.946) 12.690 16.139 ( 5.204 -21.987 5.907) 23.354 16.318 ( -4.199 -27.746 -0.245) 28.063 16.705 ( -11.504 -4.969 3.294) 12.957 18.594 ( 2.560 14.813 -8.196) 17.122 19.035 ( -3.522 9.567 -5.855) 11.756 19.121 ( 4.744 4.474 1.413) 6.672 19.699 ( -7.889 -0.048 -4.414) 9.041 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 15.317 3.605 -0.558) 15.746 2.384 ( -8.212 -4.307 -0.166) 9.275 2.674 ( 5.028 -5.423 1.140) 7.483 2.767 ( -5.348 -9.943 -0.096) 11.290 2.961 ( 3.223 -5.982 -3.551) 7.667 3.070 ( -2.198 -1.336 -6.651) 7.131 3.280 ( 0.676 -8.806 2.056) 9.068 3.346 ( -2.198 1.263 2.132) 3.312 3.485 ( -1.693 1.336 -4.949) 5.399 3.569 ( -8.974 0.168 -5.875) 10.728 3.810 ( 0.608 -9.510 0.950) 9.576 3.864 ( -4.475 -9.002 2.795) 10.434 5.120 ( 4.397 15.490 -0.786) 16.122 5.195 ( -3.179 19.056 0.615) 19.329 5.561 ( 23.332 2.765 -12.176) 26.463 5.904 ( 19.549 4.538 -10.910) 22.843 6.073 ( -25.232 -0.764 -13.321) 28.543 6.357 ( -23.812 6.014 -14.701) 28.623 6.689 ( 13.341 1.553 7.290) 15.282 6.904 ( -5.492 0.141 3.856) 6.712 7.083 ( 8.362 1.580 8.361) 11.930 7.210 ( -2.872 0.090 7.810) 8.322 7.373 ( 7.443 -1.004 0.279) 7.516 7.534 ( -8.309 1.257 1.776) 8.589 7.850 ( 5.749 -7.195 -1.575) 9.343 7.977 ( -5.894 -6.501 0.827) 8.814 8.129 ( 5.517 1.324 7.064) 9.060 8.250 ( -6.498 -0.266 6.376) 9.107 8.979 ( 8.372 -2.149 7.906) 11.714 9.070 ( 4.808 -1.042 8.427) 9.757 9.173 ( -5.189 -0.950 4.926) 7.218 9.222 ( -4.270 -3.692 5.903) 8.168 9.733 ( 6.685 7.120 -5.988) 11.456 9.850 ( -4.438 7.850 -4.323) 10.001 10.279 ( 2.257 -2.956 6.816) 7.764 10.353 ( -5.270 -4.294 7.656) 10.238 10.771 ( 5.477 12.310 11.993) 18.038 10.894 ( -6.451 11.616 13.104) 18.662 11.529 ( 16.426 -0.314 -5.220) 17.238 11.790 ( 16.303 -3.126 -10.956) 19.890 11.808 ( -4.833 -1.791 -6.836) 8.562 12.195 ( -18.062 0.709 -9.533) 20.436 12.509 ( 10.614 -8.474 -5.057) 14.493 12.695 ( -7.549 -7.099 -9.325) 13.940 13.040 ( 16.125 14.197 -16.341) 26.992 13.440 ( -22.161 10.525 -20.288) 31.836 14.464 ( 17.056 7.052 11.707) 21.856 14.766 ( -13.129 6.299 10.593) 18.007 14.871 ( 33.942 1.733 17.185) 38.084 15.428 ( -14.726 -7.109 7.128) 17.838 15.613 ( 4.539 -3.945 3.957) 7.198 15.701 ( -4.096 3.124 8.708) 10.117 15.786 ( 12.239 -9.118 11.299) 18.989 16.147 ( -14.644 -23.444 6.683) 28.438 16.257 ( 6.369 -21.364 4.345) 22.712 16.430 ( -12.276 -9.745 6.874) 17.115 18.706 ( 7.806 14.979 -10.997) 20.155 18.880 ( -8.926 14.219 -9.943) 19.512 19.308 ( 10.653 0.349 -2.380) 10.921 19.518 ( -9.963 0.066 -4.439) 10.908 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.000 15.472 12.546) 19.920 1.889 ( 0.000 22.418 15.166) 27.066 2.354 ( 0.000 -14.900 -9.282) 17.555 2.738 ( 0.000 -13.595 4.928) 14.460 3.085 ( 0.000 7.117 5.838) 9.205 3.109 ( 0.000 -0.644 -9.592) 9.614 3.478 ( 0.000 9.836 -0.512) 9.849 3.692 ( 0.000 4.837 -14.339) 15.133 3.713 ( 0.000 9.195 -3.290) 9.766 3.987 ( 0.000 -1.418 -20.053) 20.103 4.093 ( 0.000 -9.931 -2.356) 10.207 4.266 ( 0.000 -12.183 -6.669) 13.889 5.018 ( 0.000 8.601 9.815) 13.050 5.378 ( 0.000 3.168 10.762) 11.219 5.567 ( 0.000 -3.264 15.374) 15.717 5.639 ( 0.000 -4.575 18.998) 19.541 5.795 ( 0.000 14.644 2.089) 14.792 6.067 ( 0.000 4.074 1.161) 4.237 6.660 ( 0.000 3.649 1.961) 4.143 6.746 ( 0.000 -0.461 -4.611) 4.634 6.829 ( 0.000 -8.419 5.620) 10.123 7.220 ( 0.000 -14.461 -1.238) 14.514 7.642 ( 0.000 10.253 3.607) 10.869 8.042 ( 0.000 3.123 -8.060) 8.644 8.056 ( 0.000 7.483 3.502) 8.262 8.107 ( 0.000 0.707 -18.163) 18.177 8.130 ( 0.000 -7.721 -2.177) 8.022 8.499 ( 0.000 2.702 -4.542) 5.285 8.510 ( 0.000 -12.853 -4.237) 13.533 8.675 ( 0.000 1.976 -13.213) 13.360 8.919 ( 0.000 1.934 -4.718) 5.099 8.986 ( 0.000 -8.711 -7.079) 11.225 9.132 ( 0.000 5.346 10.259) 11.569 9.566 ( 0.000 -13.069 19.082) 23.128 10.237 ( 0.000 4.761 2.740) 5.493 10.502 ( 0.000 -6.064 1.308) 6.204 10.573 ( 0.000 2.371 0.979) 2.565 10.666 ( 0.000 0.775 0.471) 0.907 11.040 ( 0.000 6.053 6.552) 8.920 11.195 ( 0.000 7.968 -1.583) 8.123 11.793 ( 0.000 -0.509 -0.479) 0.699 12.043 ( 0.000 -8.049 5.279) 9.626 12.668 ( 0.000 8.768 -11.602) 14.542 12.896 ( 0.000 32.410 11.049) 34.241 12.983 ( 0.000 9.110 4.245) 10.050 13.037 ( 0.000 -6.464 -13.440) 14.913 13.463 ( 0.000 3.898 13.627) 14.174 14.687 ( 0.000 4.587 16.920) 17.531 14.876 ( 0.000 -34.939 10.200) 36.397 15.174 ( 0.000 -13.133 -0.790) 13.157 15.638 ( 0.000 -2.244 0.879) 2.410 15.786 ( 0.000 1.859 0.954) 2.089 15.848 ( 0.000 -7.520 -1.635) 7.695 15.891 ( 0.000 7.089 -13.852) 15.560 16.004 ( 0.000 -0.931 -15.428) 15.456 16.457 ( 0.000 -12.013 -19.189) 22.639 18.882 ( 0.000 2.350 18.177) 18.328 18.946 ( 0.000 0.824 9.273) 9.309 19.609 ( 0.000 12.156 -2.059) 12.329 19.918 ( 0.000 -2.336 -2.565) 3.469 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 8.773 12.473 12.679) 19.832 1.919 ( 2.779 21.559 14.011) 25.862 2.377 ( 1.962 -14.733 -7.870) 16.818 2.721 ( -0.972 -12.453 2.619) 12.763 3.033 ( -5.071 -0.284 -5.552) 7.524 3.133 ( 0.853 -0.432 -0.457) 1.060 3.422 ( -4.878 7.442 -0.466) 8.910 3.666 ( -3.224 4.974 -9.583) 11.268 3.745 ( 3.774 10.123 -6.890) 12.814 3.922 ( -8.074 -5.758 -10.168) 14.203 4.025 ( -4.053 -5.734 -10.109) 12.308 4.258 ( -2.078 -7.913 -6.337) 10.349 5.011 ( -0.893 8.294 9.538) 12.671 5.236 ( -8.867 0.638 9.236) 12.819 5.466 ( -3.810 3.115 10.514) 11.609 5.791 ( 9.333 8.104 10.854) 16.450 5.969 ( 11.711 7.847 8.239) 16.328 6.117 ( 6.435 -2.515 5.440) 8.794 6.683 ( 1.623 -1.419 2.223) 3.096 6.795 ( 4.901 0.939 -3.249) 5.954 6.892 ( 6.602 -5.774 4.172) 9.713 7.113 ( -9.290 -12.651 -2.146) 15.842 7.703 ( 3.916 8.707 2.891) 9.975 7.869 ( -13.350 6.935 -10.483) 18.336 7.975 ( -7.108 0.880 -6.436) 9.629 8.051 ( -2.615 1.360 0.307) 2.964 8.128 ( -2.830 -5.369 -7.046) 9.300 8.427 ( -3.237 -7.897 -1.204) 8.619 8.553 ( 3.041 -2.825 -3.464) 5.406 8.811 ( 9.060 -4.116 -4.328) 10.852 8.972 ( 4.009 6.905 -0.497) 7.999 9.169 ( 8.879 3.214 1.211) 9.520 9.217 ( 12.526 -1.614 -4.564) 13.429 9.684 ( 11.928 -15.737 14.424) 24.454 10.186 ( -4.169 4.716 1.158) 6.400 10.433 ( -4.719 -5.671 1.344) 7.499 10.624 ( 4.424 1.831 1.192) 4.934 10.699 ( 3.316 0.870 1.311) 3.671 11.091 ( 4.495 7.362 6.238) 10.645 11.283 ( 6.415 8.667 -4.439) 11.661 11.800 ( 1.736 -1.125 -1.353) 2.472 12.023 ( -1.272 -4.186 2.706) 5.144 12.665 ( -0.370 7.845 -11.447) 13.882 12.908 ( -0.183 13.460 -7.978) 15.648 13.012 ( 0.372 2.154 0.228) 2.198 13.173 ( 15.410 9.880 9.132) 20.457 13.495 ( 4.389 6.949 17.734) 19.546 14.687 ( -0.185 -0.064 14.161) 14.163 14.942 ( 6.198 -27.717 10.176) 30.169 15.120 ( -6.005 -3.819 -7.709) 10.492 15.498 ( -8.356 -7.541 -1.545) 11.361 15.656 ( -8.464 2.644 5.159) 10.259 15.778 ( -4.038 -3.560 4.307) 6.894 15.901 ( -5.250 -15.964 -7.646) 18.462 16.137 ( 10.753 8.350 -17.214) 21.947 16.570 ( 7.703 -9.631 -15.700) 19.965 18.887 ( -0.435 2.632 13.068) 13.337 18.914 ( -1.310 2.277 9.837) 10.182 19.580 ( -2.835 12.258 -2.574) 12.842 19.891 ( -2.675 -2.342 -2.908) 4.593 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 10.921 5.840 14.546) 19.104 2.003 ( 6.793 18.729 8.316) 21.589 2.409 ( 1.039 -12.988 -2.578) 13.282 2.747 ( 4.403 -10.747 -3.089) 12.018 2.896 ( -7.716 -2.397 -6.097) 10.122 3.069 ( -8.067 -9.518 -4.323) 13.205 3.305 ( -6.478 2.689 0.115) 7.015 3.595 ( -4.012 4.656 -3.807) 7.229 3.711 ( -10.354 -7.645 -7.490) 14.892 3.802 ( -1.566 1.927 -8.492) 8.847 3.932 ( -4.659 3.300 -6.937) 8.985 4.152 ( -8.637 -2.627 -4.782) 10.216 5.024 ( 3.838 5.447 2.720) 7.197 5.108 ( -1.738 0.558 1.291) 2.236 5.521 ( 8.592 12.857 9.210) 17.999 5.877 ( -0.511 20.440 0.579) 20.454 6.207 ( 12.246 4.633 10.767) 16.952 6.369 ( 16.955 -10.809 11.938) 23.384 6.709 ( -0.556 -8.562 1.474) 8.705 6.872 ( -10.365 -9.514 -3.943) 14.612 6.941 ( 7.442 2.008 -0.901) 7.761 7.079 ( 9.778 -2.393 1.898) 10.244 7.508 ( -19.123 9.300 -10.942) 23.915 7.761 ( -5.133 2.729 -3.699) 6.891 7.842 ( -2.732 0.566 -3.149) 4.207 8.004 ( -1.439 -1.519 2.137) 2.991 8.083 ( -1.227 -0.682 0.325) 1.441 8.371 ( -3.007 -7.957 1.393) 8.619 8.632 ( 5.180 -1.408 2.049) 5.746 8.923 ( 3.405 -10.962 -0.364) 11.484 9.085 ( 5.023 12.676 12.533) 18.520 9.278 ( 2.787 0.883 4.677) 5.516 9.512 ( 14.330 4.197 -8.140) 17.006 9.948 ( 9.111 -10.023 3.680) 14.036 10.131 ( 0.779 1.767 -0.968) 2.160 10.351 ( -3.126 -7.642 3.009) 8.788 10.744 ( 6.613 3.075 2.930) 7.860 10.838 ( 12.652 -1.807 -1.989) 12.934 11.181 ( 3.922 10.278 6.137) 12.597 11.387 ( 4.004 13.213 -9.254) 16.621 11.892 ( 6.902 -5.080 -4.029) 9.470 12.010 ( -0.328 -0.529 -1.307) 1.447 12.618 ( -5.303 1.299 -13.781) 14.823 12.857 ( -5.377 -1.974 -7.891) 9.751 13.054 ( 4.959 15.845 -5.039) 17.351 13.537 ( 18.191 -1.827 13.280) 22.596 13.733 ( 21.122 14.723 24.132) 35.289 14.638 ( -6.220 5.262 0.425) 8.158 14.977 ( -4.161 2.433 -4.553) 6.631 15.109 ( 9.131 -18.226 10.207) 22.798 15.410 ( -3.196 -14.242 2.572) 14.821 15.481 ( -5.476 -2.731 13.831) 15.125 15.683 ( -5.253 -5.900 -6.263) 10.081 15.796 ( -5.570 -22.714 1.127) 23.414 16.266 ( 1.116 8.161 -7.984) 11.472 16.664 ( 0.322 -8.703 -7.448) 11.460 18.849 ( -0.871 7.475 1.928) 7.768 18.961 ( 4.756 0.674 8.337) 9.621 19.497 ( -5.413 12.478 -3.956) 14.165 19.811 ( -5.302 -2.341 -3.790) 6.925 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 6.445 8.948 10.110) 14.960 2.205 ( 9.201 3.096 6.631) 11.756 2.447 ( 3.541 -9.381 0.835) 10.062 2.763 ( -3.633 -5.442 -3.132) 7.254 2.831 ( -11.726 -11.281 -4.945) 17.006 2.903 ( 7.682 -6.339 -6.957) 12.149 3.168 ( -7.258 -1.130 0.045) 7.345 3.474 ( -8.142 -7.523 1.272) 11.159 3.542 ( -5.664 1.115 -7.449) 9.424 3.691 ( -6.702 -2.458 -6.894) 9.924 3.817 ( -8.130 2.694 -3.121) 9.116 3.943 ( -11.081 -1.124 -3.997) 11.833 5.184 ( 11.846 6.110 -3.532) 13.789 5.217 ( 11.501 2.153 -9.424) 15.024 5.757 ( 11.685 20.423 7.156) 24.594 5.815 ( -2.460 17.315 -4.474) 18.052 6.442 ( -6.284 -7.819 2.427) 10.321 6.490 ( 0.121 4.407 -0.151) 4.412 6.703 ( 13.441 -8.059 7.285) 17.282 6.826 ( 1.057 -9.765 -6.027) 11.523 7.101 ( 3.423 4.185 6.721) 8.626 7.125 ( -12.542 8.231 -4.117) 15.556 7.242 ( 5.412 -1.211 3.389) 6.499 7.593 ( -7.782 -8.034 -2.773) 11.524 7.816 ( -2.199 5.176 -1.195) 5.749 7.990 ( -1.093 -1.632 0.999) 2.203 8.072 ( 0.719 1.206 5.041) 5.233 8.289 ( -5.069 -6.862 3.106) 9.079 8.773 ( 8.646 -0.398 7.019) 11.144 8.987 ( 3.095 -5.450 4.103) 7.491 9.141 ( 0.637 2.630 12.311) 12.605 9.267 ( -3.587 -0.862 10.420) 11.054 9.756 ( 9.655 9.325 -7.535) 15.394 10.017 ( 1.028 2.468 -1.897) 3.278 10.183 ( 1.673 -3.084 1.898) 3.989 10.298 ( -2.832 -8.790 4.738) 10.380 10.896 ( 8.695 7.441 3.634) 12.007 11.192 ( 18.283 -3.976 -4.928) 19.348 11.252 ( 4.707 11.939 5.448) 13.942 11.474 ( 5.979 14.218 -11.119) 19.014 11.968 ( -3.609 2.255 -9.645) 10.543 12.054 ( 7.696 -13.917 -0.525) 15.912 12.439 ( -12.160 -2.865 -12.931) 17.981 12.703 ( -9.529 -7.199 -4.888) 12.904 13.226 ( 12.014 25.472 -7.070) 29.037 13.856 ( 9.615 1.930 0.863) 9.845 14.255 ( 27.259 6.714 20.427) 34.719 14.513 ( 0.269 17.649 -2.139) 17.780 14.984 ( 2.990 -15.819 4.075) 16.607 15.165 ( -6.447 1.957 7.055) 9.755 15.403 ( 7.003 -6.317 14.379) 17.196 15.526 ( 6.232 -17.861 4.020) 19.340 15.570 ( -5.207 -16.333 -7.039) 18.532 15.676 ( -5.147 -21.409 7.441) 23.242 16.169 ( -10.524 7.942 3.328) 13.598 16.556 ( -11.098 -8.361 2.994) 14.214 18.886 ( 4.614 10.827 -4.694) 12.670 19.096 ( 8.422 -0.240 0.641) 8.450 19.367 ( -7.364 12.465 -5.655) 15.543 19.679 ( -7.775 -2.269 -4.786) 9.408 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 6.963 4.053 5.566) 9.792 2.293 ( -0.438 -1.995 4.230) 4.697 2.509 ( 1.741 -10.055 1.979) 10.395 2.596 ( -8.629 -8.919 -1.795) 12.540 2.814 ( 8.202 -1.236 -3.684) 9.076 3.003 ( -9.265 -1.544 -1.375) 9.493 3.100 ( 10.211 -7.736 -2.589) 13.069 3.297 ( -9.357 -8.839 1.235) 12.931 3.495 ( 1.506 2.055 -4.879) 5.505 3.583 ( -5.247 1.609 -3.361) 6.436 3.667 ( -2.991 -3.432 -4.116) 6.137 3.740 ( -8.237 -3.401 -4.681) 10.066 5.422 ( 11.052 10.292 -7.440) 16.835 5.523 ( 12.683 6.657 -7.178) 16.022 5.684 ( -1.210 10.394 -10.024) 14.491 6.005 ( -16.842 -1.910 -10.592) 19.987 6.138 ( 14.108 14.061 -5.590) 20.688 6.539 ( -20.538 10.453 -11.628) 25.813 6.735 ( 11.121 1.133 7.631) 13.535 6.878 ( -1.033 -5.122 3.741) 6.426 7.097 ( 7.198 0.820 8.708) 11.327 7.184 ( 0.711 -1.925 9.239) 9.465 7.307 ( 3.584 -4.410 7.026) 9.037 7.448 ( -8.042 -10.328 5.295) 14.120 7.813 ( 3.579 5.513 -3.435) 7.417 7.923 ( -5.464 2.306 -1.172) 6.046 8.116 ( 3.113 -2.404 5.549) 6.802 8.189 ( -4.359 -5.540 4.809) 8.533 8.954 ( 8.556 0.012 10.612) 13.631 9.040 ( 1.377 -1.714 8.461) 8.742 9.127 ( -1.395 -2.608 9.083) 9.553 9.161 ( -5.826 -1.816 9.643) 11.412 9.914 ( 6.386 8.611 -4.812) 11.751 10.008 ( -2.543 5.876 -2.828) 6.999 10.202 ( 0.881 -3.879 3.832) 5.523 10.236 ( -2.710 -6.148 4.411) 8.037 11.074 ( 8.425 13.904 3.622) 16.656 11.212 ( -4.674 17.194 5.306) 18.591 11.586 ( 14.173 -0.940 -7.168) 15.911 11.692 ( 15.042 1.167 -11.425) 18.925 11.842 ( -6.667 2.126 -6.742) 9.718 12.078 ( -14.211 -7.708 -8.583) 18.304 12.290 ( 6.704 -11.269 -5.189) 14.102 12.492 ( -11.023 -11.308 -3.498) 16.174 13.508 ( 15.174 28.266 -10.243) 33.677 13.795 ( -11.967 21.801 -12.236) 27.716 14.658 ( 15.922 8.893 8.074) 19.945 14.839 ( 21.491 -7.464 6.973) 23.795 14.933 ( -10.147 4.821 6.697) 13.079 15.087 ( -1.623 -22.186 3.641) 22.541 15.423 ( -3.280 -16.650 1.860) 17.071 15.486 ( -7.219 -23.884 4.294) 25.318 15.599 ( 9.876 -2.307 9.563) 13.940 15.818 ( 4.207 -1.846 12.750) 13.552 15.917 ( -2.302 -3.419 11.120) 11.859 16.246 ( -18.550 -8.614 10.587) 23.031 19.020 ( 8.144 12.437 -7.888) 16.829 19.188 ( -7.342 12.371 -7.964) 16.443 19.303 ( 8.917 -0.957 -3.421) 9.599 19.502 ( -9.688 -2.042 -5.113) 11.144 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.000 -18.039 -0.730) 18.054 1.981 ( 0.000 18.039 -0.730) 18.054 2.366 ( 0.000 -19.896 9.437) 22.021 2.366 ( 0.000 19.896 9.437) 22.021 3.105 ( 0.000 -0.987 -11.812) 11.853 3.105 ( 0.000 0.987 -11.812) 11.853 3.717 ( 0.000 -8.268 -5.458) 9.907 3.717 ( 0.000 8.268 -5.458) 9.907 3.929 ( 0.000 -2.642 -11.472) 11.772 3.929 ( 0.000 2.642 -11.472) 11.772 3.999 ( 0.000 -11.362 -5.587) 12.661 3.999 ( 0.000 11.362 -5.587) 12.661 5.336 ( 0.000 -18.432 20.854) 27.832 5.336 ( 0.000 18.432 20.854) 27.832 5.467 ( 0.000 -4.847 14.129) 14.938 5.467 ( 0.000 4.847 14.129) 14.938 6.061 ( 0.000 -7.872 -0.556) 7.891 6.061 ( 0.000 7.872 -0.556) 7.891 6.741 ( 0.000 -0.593 -0.439) 0.738 6.741 ( 0.000 0.593 -0.439) 0.738 6.874 ( 0.000 -15.540 1.652) 15.628 6.874 ( 0.000 15.540 1.652) 15.628 7.898 ( 0.000 -12.530 2.992) 12.882 7.898 ( 0.000 12.530 2.992) 12.882 8.086 ( 0.000 -1.019 -13.495) 13.533 8.086 ( 0.000 1.019 -13.495) 13.533 8.265 ( 0.000 -9.947 -2.914) 10.365 8.265 ( 0.000 9.947 -2.914) 10.365 8.596 ( 0.000 -6.062 -8.038) 10.068 8.596 ( 0.000 6.062 -8.038) 10.068 8.928 ( 0.000 -0.484 -9.526) 9.539 8.928 ( 0.000 0.484 -9.526) 9.539 9.306 ( 0.000 -10.439 19.412) 22.040 9.306 ( 0.000 10.439 19.412) 22.040 10.359 ( 0.000 -6.404 1.584) 6.597 10.359 ( 0.000 6.404 1.584) 6.597 10.634 ( 0.000 -2.907 -0.466) 2.944 10.634 ( 0.000 2.907 -0.466) 2.944 11.197 ( 0.000 -6.147 5.859) 8.492 11.197 ( 0.000 6.147 5.859) 8.492 11.872 ( 0.000 -7.080 -2.614) 7.547 11.872 ( 0.000 7.080 -2.614) 7.547 12.867 ( 0.000 -8.971 -13.529) 16.233 12.867 ( 0.000 8.971 -13.529) 16.233 13.157 ( 0.000 -5.106 10.084) 11.303 13.157 ( 0.000 5.106 10.084) 11.303 13.998 ( 0.000 -41.273 12.465) 43.114 13.998 ( 0.000 41.273 12.465) 43.114 14.880 ( 0.000 -12.463 10.043) 16.005 14.880 ( 0.000 12.463 10.043) 16.005 15.682 ( 0.000 -4.547 6.594) 8.010 15.682 ( 0.000 4.547 6.594) 8.010 15.892 ( 0.000 -3.820 -11.559) 12.174 15.892 ( 0.000 3.820 -11.559) 12.174 16.178 ( 0.000 -12.920 -22.048) 25.555 16.178 ( 0.000 12.920 -22.048) 25.555 18.930 ( 0.000 -1.835 14.376) 14.493 18.930 ( 0.000 1.835 14.376) 14.493 19.819 ( 0.000 -7.056 -2.377) 7.446 19.819 ( 0.000 7.056 -2.377) 7.446 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 4.036 -16.866 0.547) 17.351 2.025 ( 4.036 16.866 0.547) 17.351 2.372 ( 0.836 -19.169 8.084) 20.820 2.372 ( 0.836 19.169 8.084) 20.820 3.057 ( -4.830 -3.217 -10.805) 12.265 3.057 ( -4.830 3.217 -10.805) 12.265 3.637 ( -8.035 -10.849 -1.681) 13.605 3.637 ( -8.035 10.849 -1.681) 13.605 3.846 ( -3.918 -3.125 -14.516) 15.357 3.846 ( -3.918 3.125 -14.516) 15.357 4.072 ( 2.792 -8.571 -6.107) 10.888 4.072 ( 2.792 8.571 -6.107) 10.888 5.198 ( -8.545 -5.452 13.172) 16.621 5.198 ( -8.545 5.452 13.172) 16.621 5.630 ( 12.456 -13.280 17.880) 25.519 5.630 ( 12.456 13.280 17.880) 25.519 6.120 ( 5.086 -3.476 0.529) 6.183 6.120 ( 5.086 3.476 0.529) 6.183 6.794 ( -1.249 -8.767 1.690) 9.015 6.794 ( -1.249 8.767 1.690) 9.015 6.837 ( 2.988 -5.939 -0.615) 6.677 6.837 ( 2.988 5.939 -0.615) 6.677 7.906 ( 0.120 -7.950 2.505) 8.336 7.906 ( 0.120 7.950 2.505) 8.336 7.988 ( -9.819 -4.924 -14.832) 18.456 7.988 ( -9.819 4.924 -14.832) 18.456 8.194 ( -3.061 -10.207 -0.052) 10.656 8.194 ( -3.061 10.207 -0.052) 10.656 8.627 ( 2.663 -7.519 -3.543) 8.728 8.627 ( 2.663 7.519 -3.543) 8.728 9.152 ( 15.083 -5.005 -6.699) 17.246 9.152 ( 15.083 5.005 -6.699) 17.246 9.357 ( 7.370 -13.573 14.161) 20.955 9.357 ( 7.370 13.573 14.161) 20.955 10.302 ( -4.645 -5.942 1.156) 7.630 10.302 ( -4.645 5.942 1.156) 7.630 10.671 ( 3.600 -2.409 -0.053) 4.332 10.671 ( 3.600 2.409 -0.053) 4.332 11.281 ( 7.242 -7.511 4.908) 11.531 11.281 ( 7.242 7.511 4.908) 11.531 11.875 ( 0.539 -7.404 -5.852) 9.453 11.875 ( 0.539 7.404 -5.852) 9.453 12.845 ( -2.818 -7.995 -11.600) 14.367 12.845 ( -2.818 7.995 -11.600) 14.367 13.203 ( 5.272 -6.956 10.021) 13.289 13.203 ( 5.272 6.956 10.021) 13.289 14.063 ( 6.387 -39.019 13.224) 41.691 14.063 ( 6.387 39.019 13.224) 41.691 14.913 ( 3.224 -10.989 8.801) 14.443 14.913 ( 3.224 10.989 8.801) 14.443 15.594 ( -10.682 -10.456 -2.721) 15.193 15.594 ( -10.682 10.456 -2.721) 15.193 15.723 ( -8.156 -3.448 -3.125) 9.390 15.723 ( -8.156 3.448 -3.125) 9.390 16.346 ( 9.734 -10.484 -16.667) 21.965 16.346 ( 9.734 10.484 -16.667) 21.965 18.927 ( -0.044 -0.915 11.955) 11.990 18.927 ( -0.044 0.915 11.955) 11.990 19.792 ( -2.707 -7.091 -2.797) 8.089 19.792 ( -2.707 7.091 -2.797) 8.089 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 4.345 -12.197 4.250) 13.627 2.116 ( 4.345 12.197 4.250) 13.627 2.423 ( 4.561 -17.871 4.530) 18.992 2.423 ( 4.561 17.871 4.530) 18.992 2.914 ( -8.786 -4.091 -8.761) 13.064 2.914 ( -8.786 4.091 -8.761) 13.064 3.444 ( -9.990 -9.684 -1.329) 13.977 3.444 ( -9.990 9.684 -1.329) 13.977 3.755 ( -5.903 -4.613 -12.186) 14.305 3.755 ( -5.903 4.613 -12.186) 14.305 4.061 ( -4.643 -5.866 -5.125) 9.068 4.061 ( -4.643 5.866 -5.125) 9.068 5.101 ( 0.777 -1.597 2.326) 2.927 5.101 ( 0.777 1.597 2.326) 2.927 5.925 ( 15.919 -21.998 15.874) 31.453 5.925 ( 15.919 21.998 15.874) 31.453 6.230 ( 4.553 -8.131 2.833) 9.740 6.230 ( 4.553 8.131 2.833) 9.740 6.676 ( -5.684 -5.500 -1.551) 8.060 6.676 ( -5.684 5.500 -1.551) 8.060 7.014 ( 10.278 -3.620 1.982) 11.076 7.014 ( 10.278 3.620 1.982) 11.076 7.698 ( -16.669 -7.194 -12.524) 22.056 7.698 ( -16.669 7.194 -12.524) 22.056 7.920 ( 0.605 -4.763 1.738) 5.106 7.920 ( 0.605 4.763 1.738) 5.106 8.176 ( -0.491 -8.441 2.106) 8.714 8.176 ( -0.491 8.441 2.106) 8.714 8.704 ( 5.177 -7.678 1.652) 9.406 8.704 ( 5.177 7.678 1.652) 9.406 9.271 ( 0.023 -3.145 14.037) 14.385 9.271 ( 0.023 3.145 14.037) 14.385 9.686 ( 18.830 -11.836 -6.537) 23.182 9.686 ( 18.830 11.836 -6.537) 23.182 10.212 ( -3.719 -5.120 0.863) 6.387 10.212 ( -3.719 5.120 0.863) 6.387 10.789 ( 8.806 -2.149 -0.811) 9.100 10.789 ( 8.806 2.149 -0.811) 9.100 11.442 ( 8.235 -9.832 3.605) 13.322 11.442 ( 8.235 9.832 3.605) 13.322 11.890 ( 0.338 -7.593 -11.669) 13.926 11.890 ( 0.338 7.593 -11.669) 13.926 12.734 ( -8.269 -7.261 -7.151) 13.124 12.734 ( -8.269 7.261 -7.151) 13.124 13.395 ( 14.058 -11.453 6.474) 19.254 13.395 ( 14.058 11.453 6.474) 19.254 14.246 ( 11.446 -31.183 15.204) 36.532 14.246 ( 11.446 31.183 15.204) 36.532 15.003 ( 4.806 -8.996 3.923) 10.927 15.003 ( 4.806 8.996 3.923) 10.927 15.332 ( -11.801 -12.279 -5.339) 17.848 15.332 ( -11.801 12.279 -5.339) 17.848 15.592 ( -6.577 -4.634 4.927) 9.434 15.592 ( -6.577 4.634 4.927) 9.434 16.462 ( 0.819 -9.580 -7.743) 12.345 16.462 ( 0.819 9.580 -7.743) 12.345 18.949 ( 2.799 -2.178 5.537) 6.575 18.949 ( 2.799 2.178 5.537) 6.575 19.712 ( -5.297 -7.147 -3.908) 9.716 19.712 ( -5.297 7.147 -3.908) 9.716 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 4.159 -6.754 5.771) 9.809 2.198 ( 4.159 6.754 5.771) 9.809 2.499 ( -0.580 -13.675 5.192) 14.639 2.499 ( -0.580 13.675 5.192) 14.639 2.786 ( -0.160 -3.383 -8.608) 9.250 2.786 ( -0.160 3.383 -8.608) 9.250 3.258 ( -8.503 -8.239 -1.229) 11.903 3.258 ( -8.503 8.239 -1.229) 11.903 3.621 ( -6.363 -3.791 -8.288) 11.116 3.621 ( -6.363 3.791 -8.288) 11.116 3.894 ( -10.815 -3.378 -3.512) 11.862 3.894 ( -10.815 3.378 -3.512) 11.862 5.244 ( 12.387 -0.141 -8.421) 14.979 5.244 ( 12.387 0.141 -8.421) 14.979 6.164 ( -5.316 -6.676 -2.449) 8.879 6.164 ( -5.316 6.676 -2.449) 8.879 6.264 ( 10.408 -13.969 10.337) 20.256 6.264 ( 10.408 13.969 10.337) 20.256 6.684 ( 6.723 -5.519 -0.300) 8.703 6.684 ( 6.723 5.519 -0.300) 8.703 7.180 ( 4.180 -3.629 6.776) 8.750 7.180 ( 4.180 3.629 6.776) 8.750 7.372 ( -13.547 -11.606 -7.561) 19.375 7.372 ( -13.547 11.606 -7.561) 19.375 7.939 ( 1.274 -4.396 1.411) 4.789 7.939 ( 1.274 4.396 1.411) 4.789 8.136 ( -3.447 -5.611 3.170) 7.308 8.136 ( -3.447 5.611 3.170) 7.308 8.833 ( 7.355 -5.896 5.982) 11.164 8.833 ( 7.355 5.896 5.982) 11.164 9.227 ( -3.998 -3.122 14.553) 15.412 9.227 ( -3.998 3.122 14.553) 15.412 9.966 ( 8.632 -8.177 -4.551) 12.731 9.966 ( 8.632 8.177 -4.551) 12.731 10.161 ( -1.647 -2.542 1.261) 3.281 10.161 ( -1.647 2.542 1.261) 3.281 11.038 ( 15.495 -7.010 -4.227) 17.524 11.038 ( 15.495 7.010 -4.227) 17.524 11.607 ( 7.581 -14.147 3.712) 16.474 11.607 ( 7.581 14.147 3.712) 16.474 11.867 ( -2.083 -8.311 -14.635) 16.958 11.867 ( -2.083 8.311 -14.635) 16.958 12.520 ( -12.847 -8.558 -3.728) 15.880 12.520 ( -12.847 8.558 -3.728) 15.880 13.749 ( 20.144 -16.458 -1.274) 26.043 13.749 ( 20.144 16.458 -1.274) 26.043 14.481 ( 9.708 -18.267 12.926) 24.393 14.481 ( 9.708 18.267 12.926) 24.393 14.971 ( -6.944 -23.292 -5.033) 24.820 14.971 ( -6.944 23.292 -5.033) 24.820 15.292 ( 5.988 -6.462 4.382) 9.839 15.292 ( 5.988 6.462 4.382) 9.839 15.459 ( -4.098 -6.165 9.903) 12.364 15.459 ( -4.098 6.165 9.903) 12.364 16.360 ( -10.814 -9.315 2.875) 14.559 16.360 ( -10.814 9.315 2.875) 14.559 19.049 ( 7.061 -4.471 -1.454) 8.483 19.049 ( 7.061 4.471 -1.454) 8.483 19.581 ( -7.611 -7.097 -5.285) 11.672 19.581 ( -7.611 7.097 -5.285) 11.672 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 4.691 -4.131 4.987) 7.996 2.286 ( 4.691 4.131 4.987) 7.996 2.397 ( -6.415 -5.855 4.392) 9.732 2.397 ( -6.415 5.855 4.392) 9.732 2.911 ( 9.259 -7.866 -4.243) 12.869 2.911 ( 9.259 7.866 -4.243) 12.869 3.093 ( -8.425 -7.834 -1.856) 11.653 3.093 ( -8.425 7.834 -1.856) 11.653 3.557 ( 1.270 -3.055 -5.587) 6.493 3.557 ( 1.270 3.055 -5.587) 6.493 3.676 ( -9.648 -2.680 -4.177) 10.850 3.676 ( -9.648 2.680 -4.177) 10.850 5.551 ( 17.165 -2.287 -12.514) 21.365 5.551 ( 17.165 2.287 -12.514) 21.365 5.898 ( -16.584 -7.504 -10.109) 20.821 5.898 ( -16.584 7.504 -10.109) 20.821 6.533 ( 13.405 -18.603 3.251) 23.159 6.533 ( 13.405 18.603 3.251) 23.159 6.753 ( -5.335 -6.852 -2.522) 9.043 6.753 ( -5.335 6.852 -2.522) 9.043 7.154 ( 1.957 -2.706 10.651) 11.162 7.154 ( 1.957 2.706 10.651) 11.162 7.253 ( -3.984 -2.495 5.138) 6.964 7.253 ( -3.984 2.495 5.138) 6.964 7.979 ( 2.951 -4.904 1.533) 5.925 7.979 ( 2.951 4.904 1.533) 5.925 8.054 ( -4.274 -2.389 2.556) 5.524 8.054 ( -4.274 2.389 2.556) 5.524 8.984 ( 7.384 -2.641 9.299) 12.164 8.984 ( 7.384 2.641 9.299) 12.164 9.122 ( -6.236 -1.550 12.185) 13.776 9.122 ( -6.236 1.550 12.185) 13.776 10.074 ( 3.419 -4.384 -1.051) 5.658 10.074 ( 3.419 4.384 -1.051) 5.658 10.127 ( -2.024 -1.405 0.864) 2.611 10.127 ( -2.024 1.405 0.864) 2.611 11.360 ( 15.273 -12.638 -6.727) 20.935 11.360 ( 15.273 12.638 -6.727) 20.935 11.611 ( -8.513 -17.333 -4.362) 19.798 11.611 ( -8.513 17.333 -4.362) 19.798 11.949 ( 11.715 -13.266 -5.931) 18.665 11.949 ( 11.715 13.266 -5.931) 18.665 12.234 ( -15.096 -10.784 -2.483) 18.718 12.234 ( -15.096 10.784 -2.483) 18.718 14.152 ( 18.909 -17.780 -6.656) 26.795 14.152 ( 18.909 17.780 -6.656) 26.795 14.471 ( -11.263 -8.905 -4.172) 14.952 14.471 ( -11.263 8.905 -4.172) 14.952 14.987 ( 9.177 -14.035 7.741) 18.470 14.987 ( 9.177 14.035 7.741) 18.470 15.202 ( -10.388 -10.550 5.094) 15.658 15.202 ( -10.388 10.550 5.094) 15.658 15.663 ( 18.386 -6.675 13.743) 23.906 15.663 ( 18.386 6.675 13.743) 23.906 16.053 ( -18.761 -8.924 10.811) 23.420 16.053 ( -18.761 8.924 10.811) 23.420 19.219 ( 9.420 -5.972 -5.411) 12.396 19.219 ( 9.420 5.972 -5.411) 12.396 19.410 ( -9.265 -6.770 -6.191) 13.038 19.410 ( -9.265 6.770 -6.191) 13.038 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.000 0.000 24.372) 24.372 2.032 ( 0.000 0.000 26.950) 26.950 2.436 ( 0.000 0.000 -9.504) 9.504 2.693 ( 0.000 0.000 -5.804) 5.804 3.003 ( 0.000 0.000 -0.492) 0.492 3.178 ( 0.000 0.000 -0.913) 0.913 3.470 ( 0.000 0.000 1.942) 1.942 3.588 ( 0.000 0.000 1.755) 1.755 3.619 ( 0.000 0.000 -11.259) 11.259 3.835 ( 0.000 0.000 6.105) 6.105 3.883 ( 0.000 0.000 -10.590) 10.590 4.488 ( 0.000 0.000 -7.252) 7.252 5.020 ( 0.000 0.000 2.107) 2.107 5.171 ( 0.000 0.000 -3.174) 3.174 5.480 ( 0.000 0.000 12.778) 12.778 5.628 ( 0.000 0.000 12.635) 12.635 6.063 ( 0.000 0.000 15.614) 15.614 6.240 ( 0.000 0.000 2.760) 2.760 6.633 ( 0.000 0.000 -4.664) 4.664 6.881 ( 0.000 0.000 14.882) 14.882 7.163 ( 0.000 0.000 -1.139) 1.139 7.407 ( 0.000 0.000 -8.692) 8.692 7.502 ( 0.000 0.000 -11.279) 11.279 7.570 ( 0.000 0.000 -15.577) 15.577 7.774 ( 0.000 0.000 -5.073) 5.073 7.964 ( 0.000 0.000 3.316) 3.316 8.107 ( 0.000 0.000 -7.470) 7.470 8.185 ( 0.000 0.000 -13.167) 13.167 8.554 ( 0.000 0.000 4.882) 4.882 8.874 ( 0.000 0.000 -1.877) 1.877 8.875 ( 0.000 0.000 2.100) 2.100 9.060 ( 0.000 0.000 5.690) 5.690 9.171 ( 0.000 0.000 -11.290) 11.290 9.861 ( 0.000 0.000 -12.803) 12.803 10.358 ( 0.000 0.000 6.677) 6.677 10.480 ( 0.000 0.000 2.609) 2.609 10.560 ( 0.000 0.000 2.917) 2.917 10.686 ( 0.000 0.000 -3.056) 3.056 11.006 ( 0.000 0.000 20.694) 20.694 11.177 ( 0.000 0.000 15.280) 15.280 11.972 ( 0.000 0.000 0.357) 0.357 12.122 ( 0.000 0.000 6.023) 6.023 12.181 ( 0.000 0.000 -17.757) 17.757 12.341 ( 0.000 0.000 -12.691) 12.691 12.996 ( 0.000 0.000 -3.542) 3.542 13.059 ( 0.000 0.000 40.478) 40.478 13.756 ( 0.000 0.000 25.313) 25.313 14.548 ( 0.000 0.000 -36.166) 36.166 15.152 ( 0.000 0.000 19.854) 19.854 15.293 ( 0.000 0.000 -24.035) 24.035 15.473 ( 0.000 0.000 -19.990) 19.990 15.691 ( 0.000 0.000 9.660) 9.660 15.943 ( 0.000 0.000 -1.723) 1.723 16.292 ( 0.000 0.000 -3.728) 3.728 16.337 ( 0.000 0.000 4.987) 4.987 16.657 ( 0.000 0.000 -4.752) 4.752 18.877 ( 0.000 0.000 3.674) 3.674 19.114 ( 0.000 0.000 -3.277) 3.277 19.241 ( 0.000 0.000 17.354) 17.354 19.866 ( 0.000 0.000 -4.584) 4.584 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.713 0.000 22.585) 22.597 2.129 ( 9.337 0.000 24.787) 26.487 2.435 ( 1.138 0.000 -12.483) 12.535 2.795 ( 6.396 0.000 -5.859) 8.674 3.038 ( 3.313 0.000 0.266) 3.324 3.237 ( 6.376 0.000 1.954) 6.668 3.433 ( -2.718 0.000 -2.580) 3.748 3.472 ( -10.070 0.000 0.566) 10.086 3.589 ( -3.012 0.000 -11.048) 11.451 3.832 ( -5.101 0.000 -10.777) 11.923 3.845 ( 0.700 0.000 8.724) 8.752 4.411 ( -7.220 0.000 -6.193) 9.512 4.980 ( -3.595 0.000 2.725) 4.511 5.144 ( -2.541 0.000 -2.881) 3.842 5.362 ( -9.224 0.000 14.602) 17.271 5.594 ( -2.991 0.000 12.148) 12.511 6.151 ( 6.799 0.000 12.738) 14.439 6.347 ( 9.697 0.000 0.736) 9.725 6.656 ( 2.191 0.000 -5.284) 5.720 6.929 ( 4.415 0.000 10.351) 11.253 7.138 ( -4.305 0.000 -4.209) 6.021 7.223 ( -10.468 0.000 -14.343) 17.757 7.502 ( -18.520 0.000 -5.807) 19.409 7.573 ( 6.680 0.000 -3.116) 7.371 7.677 ( 5.145 0.000 -11.072) 12.209 7.996 ( 3.406 0.000 4.723) 5.823 8.235 ( 2.902 0.000 -7.392) 7.941 8.335 ( 13.661 0.000 -4.977) 14.539 8.567 ( 1.700 0.000 6.808) 7.017 8.838 ( -1.158 0.000 0.576) 1.293 8.926 ( 5.347 0.000 -0.484) 5.368 9.189 ( 10.374 0.000 0.941) 10.416 9.215 ( 4.047 0.000 -10.551) 11.300 9.879 ( -0.124 0.000 -12.845) 12.845 10.398 ( 4.629 0.000 5.245) 6.996 10.535 ( 5.654 0.000 3.450) 6.623 10.607 ( -3.961 0.000 0.888) 4.059 10.637 ( 7.157 0.000 4.309) 8.354 11.068 ( 2.529 0.000 16.351) 16.545 11.180 ( 0.744 0.000 12.546) 12.568 11.970 ( -12.052 0.000 10.635) 16.073 12.008 ( 4.324 0.000 0.831) 4.403 12.233 ( 4.398 0.000 -16.340) 16.922 12.350 ( 0.643 0.000 -15.727) 15.740 12.883 ( -6.758 0.000 -6.905) 9.662 13.382 ( 24.413 0.000 36.691) 44.071 13.851 ( 9.291 0.000 26.413) 28.000 14.281 ( -21.271 0.000 -33.106) 39.351 15.159 ( 1.493 0.000 17.112) 17.177 15.494 ( 0.755 0.000 -13.572) 13.593 15.506 ( 15.585 0.000 -24.204) 28.788 15.697 ( 0.533 0.000 7.019) 7.040 15.875 ( -4.576 0.000 4.866) 6.680 16.361 ( 2.278 0.000 4.844) 5.353 16.403 ( 9.425 0.000 -9.934) 13.694 16.657 ( 0.062 0.000 -4.272) 4.272 18.760 ( -10.900 0.000 4.787) 11.905 19.061 ( -5.139 0.000 -4.214) 6.646 19.224 ( -1.596 0.000 16.088) 16.167 19.833 ( -3.227 0.000 -4.852) 5.827 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.697 0.000 16.069) 16.084 2.380 ( 14.729 0.000 19.719) 24.612 2.481 ( 2.265 0.000 -14.598) 14.773 2.831 ( -2.403 0.000 -2.505) 3.471 3.122 ( 4.564 0.000 2.493) 5.201 3.236 ( -11.255 0.000 -0.385) 11.261 3.361 ( -0.401 0.000 1.766) 1.811 3.450 ( 5.764 0.000 -15.669) 16.695 3.502 ( -5.375 0.000 -10.152) 11.487 3.682 ( -9.495 0.000 -10.210) 13.943 3.894 ( 6.541 0.000 15.525) 16.847 4.240 ( -8.074 0.000 -2.488) 8.449 4.903 ( -3.329 0.000 1.856) 3.811 5.074 ( -4.304 0.000 -2.583) 5.020 5.180 ( -8.155 0.000 12.302) 14.760 5.532 ( -2.561 0.000 8.991) 9.348 6.295 ( 7.181 0.000 9.917) 12.244 6.536 ( 4.098 0.000 -12.057) 12.735 6.702 ( -0.954 0.000 -10.741) 10.783 6.880 ( -12.418 0.000 -13.600) 18.417 6.965 ( -2.830 0.000 6.314) 6.919 7.179 ( 1.228 0.000 -1.296) 1.786 7.261 ( 0.032 0.000 4.274) 4.274 7.710 ( 0.799 0.000 -13.456) 13.480 7.758 ( 7.675 0.000 9.210) 11.988 8.059 ( 2.565 0.000 6.805) 7.273 8.256 ( -0.413 0.000 0.478) 0.632 8.477 ( -0.179 0.000 -4.181) 4.185 8.709 ( 12.701 0.000 9.623) 15.935 8.854 ( 3.032 0.000 2.384) 3.857 9.084 ( 9.393 0.000 -3.077) 9.885 9.307 ( 4.305 0.000 -7.741) 8.857 9.412 ( 10.320 0.000 -2.177) 10.547 9.808 ( -6.480 0.000 -8.882) 10.995 10.440 ( -0.911 0.000 6.753) 6.814 10.698 ( 9.317 0.000 8.820) 12.830 10.712 ( 13.126 0.000 -6.260) 14.542 10.826 ( 11.521 0.000 6.130) 13.050 11.047 ( -3.139 0.000 15.813) 16.121 11.229 ( 4.161 0.000 5.788) 7.129 11.739 ( -9.104 0.000 9.836) 13.402 12.148 ( 8.607 0.000 0.247) 8.610 12.304 ( -0.374 0.000 -9.278) 9.286 12.367 ( 2.874 0.000 -24.834) 25.000 12.713 ( -10.115 0.000 -11.107) 15.023 13.801 ( -22.188 0.000 -29.683) 37.059 13.966 ( 29.121 0.000 32.921) 43.953 14.113 ( 16.044 0.000 27.179) 31.561 15.241 ( 6.721 0.000 15.105) 16.533 15.441 ( -6.115 0.000 -3.412) 7.002 15.716 ( 1.470 0.000 1.821) 2.340 15.778 ( 9.626 0.000 -19.267) 21.538 15.834 ( 1.122 0.000 11.278) 11.334 16.426 ( 4.178 0.000 4.434) 6.093 16.614 ( 10.252 0.000 -13.586) 17.020 16.661 ( 0.315 0.000 -2.962) 2.978 18.490 ( -14.374 0.000 4.667) 15.112 18.913 ( -9.423 0.000 -6.728) 11.578 19.189 ( -1.380 0.000 12.099) 12.177 19.738 ( -6.146 0.000 -5.477) 8.232 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 4.591 0.000 6.299) 7.794 2.455 ( -6.274 0.000 -13.949) 15.295 2.684 ( 14.651 0.000 13.713) 20.067 2.791 ( 0.181 0.000 -3.133) 3.138 3.040 ( -8.135 0.000 -1.309) 8.240 3.186 ( 0.431 0.000 4.811) 4.830 3.304 ( -3.389 0.000 -1.805) 3.840 3.401 ( -3.660 0.000 -8.183) 8.964 3.465 ( -3.820 0.000 -11.670) 12.279 3.482 ( -9.174 0.000 -7.699) 11.976 4.080 ( 4.830 0.000 9.024) 10.235 4.188 ( 6.379 0.000 8.716) 10.801 4.861 ( -0.913 0.000 -1.540) 1.791 4.981 ( -4.614 0.000 -2.574) 5.283 5.076 ( 0.025 0.000 1.916) 1.916 5.523 ( 2.533 0.000 2.788) 3.767 6.256 ( -19.613 0.000 -16.164) 25.415 6.340 ( -18.615 0.000 -21.355) 28.329 6.591 ( 6.422 0.000 4.194) 7.670 6.903 ( 6.303 0.000 -1.272) 6.430 7.064 ( 10.888 0.000 13.749) 17.538 7.216 ( 2.154 0.000 -1.857) 2.844 7.358 ( 4.887 0.000 6.217) 7.908 7.633 ( -7.048 0.000 -5.975) 9.240 7.925 ( 7.639 0.000 7.199) 10.496 8.109 ( 2.918 0.000 6.468) 7.096 8.234 ( -1.857 0.000 2.703) 3.280 8.421 ( -4.578 0.000 -0.986) 4.683 8.966 ( 7.806 0.000 5.503) 9.551 8.972 ( 12.452 0.000 8.123) 14.868 9.268 ( 8.278 0.000 -2.463) 8.637 9.361 ( 0.679 0.000 -3.145) 3.217 9.529 ( -0.891 0.000 -0.617) 1.084 9.684 ( -3.181 0.000 -7.387) 8.043 10.447 ( 1.965 0.000 8.673) 8.893 10.787 ( -6.843 0.000 8.187) 10.670 10.848 ( 5.724 0.000 17.707) 18.609 11.113 ( 15.672 0.000 2.936) 15.944 11.193 ( 18.294 0.000 -3.643) 18.654 11.265 ( -2.209 0.000 10.385) 10.617 11.703 ( 6.316 0.000 -3.515) 7.228 12.190 ( -9.231 0.000 -11.633) 14.851 12.318 ( 7.109 0.000 -4.851) 8.607 12.448 ( 3.490 0.000 -18.617) 18.941 12.501 ( -9.417 0.000 -13.368) 16.352 13.311 ( -24.533 0.000 -26.950) 36.443 14.451 ( 16.490 0.000 24.388) 29.440 14.609 ( 32.125 0.000 26.310) 41.524 15.226 ( -9.988 0.000 12.529) 16.023 15.476 ( 10.938 0.000 1.505) 11.041 15.740 ( 0.517 0.000 1.367) 1.461 15.848 ( -3.128 0.000 -9.121) 9.643 15.929 ( 9.134 0.000 14.834) 17.421 16.519 ( 4.692 0.000 3.808) 6.043 16.667 ( 0.116 0.000 -0.981) 0.987 16.746 ( 0.847 0.000 -5.650) 5.714 18.253 ( -7.368 0.000 -1.806) 7.586 18.693 ( -12.185 0.000 -10.022) 15.777 19.188 ( 1.734 0.000 5.625) 5.886 19.592 ( -8.230 0.000 -5.857) 10.102 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 10.797 0.000 -3.847) 11.462 2.249 ( -12.774 0.000 -10.860) 16.766 2.829 ( 2.889 0.000 -3.963) 4.904 2.906 ( -5.154 0.000 -2.048) 5.546 2.938 ( 10.405 0.000 7.180) 12.642 3.111 ( -6.966 0.000 3.185) 7.660 3.283 ( 1.824 0.000 -2.563) 3.146 3.363 ( -5.371 0.000 -6.895) 8.740 3.365 ( -0.825 0.000 -2.863) 2.979 3.367 ( -1.888 0.000 -3.866) 4.302 4.157 ( 5.196 0.000 9.959) 11.233 4.257 ( -2.697 0.000 14.091) 14.347 4.860 ( 0.817 0.000 -2.903) 3.016 4.900 ( -3.219 0.000 -2.747) 4.232 5.275 ( 19.461 0.000 -12.587) 23.177 5.659 ( 11.180 0.000 -6.315) 12.840 5.758 ( -26.372 0.000 -18.803) 32.389 5.957 ( -17.891 0.000 -15.009) 23.353 6.807 ( 11.415 0.000 7.079) 13.432 6.964 ( -2.477 0.000 3.250) 4.087 7.273 ( 8.693 0.000 11.049) 14.059 7.289 ( 6.262 0.000 -3.322) 7.089 7.387 ( -2.287 0.000 8.454) 8.758 7.458 ( -9.511 0.000 -3.432) 10.111 8.063 ( 6.228 0.000 5.494) 8.305 8.172 ( -4.378 0.000 3.740) 5.758 8.192 ( 5.307 0.000 3.930) 6.604 8.310 ( -6.099 0.000 1.254) 6.226 9.143 ( 9.180 0.000 6.461) 11.226 9.191 ( 9.011 0.000 5.777) 10.704 9.312 ( -6.261 0.000 4.844) 7.916 9.325 ( -4.276 0.000 1.786) 4.634 9.525 ( 5.577 0.000 -5.549) 7.867 9.640 ( -3.923 0.000 -5.697) 6.917 10.513 ( 4.501 0.000 10.721) 11.628 10.630 ( -7.221 0.000 12.026) 14.028 10.963 ( 6.273 0.000 18.145) 19.199 11.106 ( -7.647 0.000 16.748) 18.411 11.499 ( 17.451 0.000 -1.728) 17.536 11.586 ( 19.254 0.000 -10.316) 21.844 11.767 ( -6.005 0.000 -4.025) 7.229 11.938 ( -15.437 0.000 -11.961) 19.528 12.434 ( 4.211 0.000 -9.196) 10.114 12.473 ( 10.187 0.000 -19.694) 22.173 12.481 ( -0.338 0.000 -13.609) 13.613 12.834 ( -22.389 0.000 -23.575) 32.512 14.752 ( 13.488 0.000 19.772) 23.935 15.002 ( -11.772 0.000 15.465) 19.436 15.210 ( 26.818 0.000 15.959) 31.207 15.650 ( -16.309 0.000 3.488) 16.678 15.658 ( 5.933 0.000 -0.766) 5.982 15.729 ( -1.762 0.000 0.325) 1.791 16.226 ( 19.270 0.000 16.574) 25.417 16.598 ( -15.031 0.000 8.743) 17.389 16.603 ( 3.452 0.000 2.999) 4.573 16.654 ( -1.591 0.000 1.394) 2.116 18.243 ( 6.079 0.000 -10.922) 12.500 18.442 ( -12.218 0.000 -12.617) 17.563 19.268 ( 6.105 0.000 -0.971) 6.182 19.420 ( -8.542 0.000 -4.832) 9.814 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 0.000 11.433 21.814) 24.628 1.934 ( 0.000 -5.563 23.113) 23.773 2.355 ( 0.000 -6.491 -9.052) 11.139 2.809 ( 0.000 7.088 -5.369) 8.891 3.040 ( 0.000 0.160 -1.965) 1.972 3.220 ( 0.000 2.011 -3.277) 3.845 3.378 ( 0.000 -2.963 -0.117) 2.965 3.406 ( 0.000 -14.089 -7.159) 15.804 3.641 ( 0.000 0.215 -11.253) 11.255 3.677 ( 0.000 -3.460 6.990) 7.800 4.037 ( 0.000 2.944 -8.549) 9.042 4.354 ( 0.000 -10.098 -8.281) 13.059 5.107 ( 0.000 8.334 11.223) 13.979 5.415 ( 0.000 18.777 -1.343) 18.825 5.534 ( 0.000 5.336 13.984) 14.968 5.679 ( 0.000 5.240 11.795) 12.906 6.023 ( 0.000 -3.327 15.836) 16.182 6.275 ( 0.000 2.347 4.667) 5.224 6.640 ( 0.000 0.615 -4.341) 4.385 6.813 ( 0.000 -6.260 12.708) 14.166 7.081 ( 0.000 -6.973 -0.221) 6.977 7.335 ( 0.000 -6.458 -8.240) 10.469 7.542 ( 0.000 3.571 -19.144) 19.474 7.594 ( 0.000 2.723 -6.522) 7.068 7.792 ( 0.000 0.284 -10.304) 10.308 8.018 ( 0.000 4.274 3.553) 5.559 8.118 ( 0.000 0.815 -5.592) 5.651 8.266 ( 0.000 6.932 -12.383) 14.191 8.487 ( 0.000 -3.917 3.030) 4.952 8.739 ( 0.000 -11.713 -1.842) 11.857 8.844 ( 0.000 -3.916 -4.036) 5.623 9.037 ( 0.000 -10.132 -10.672) 14.716 9.183 ( 0.000 10.797 12.230) 16.314 9.886 ( 0.000 0.933 -5.708) 5.784 10.329 ( 0.000 -1.187 8.018) 8.106 10.569 ( 0.000 5.265 1.482) 5.470 10.611 ( 0.000 1.782 1.589) 2.388 10.641 ( 0.000 -2.384 -2.506) 3.459 11.031 ( 0.000 3.047 13.810) 14.142 11.183 ( 0.000 1.440 15.469) 15.536 11.855 ( 0.000 -4.253 -0.241) 4.260 12.130 ( 0.000 -6.810 -17.739) 19.001 12.309 ( 0.000 0.719 -9.267) 9.295 12.429 ( 0.000 19.106 -1.039) 19.134 13.000 ( 0.000 2.046 4.596) 5.031 13.181 ( 0.000 9.660 35.902) 37.179 13.786 ( 0.000 2.548 24.205) 24.339 14.653 ( 0.000 8.931 -33.881) 35.038 15.092 ( 0.000 -4.149 17.307) 17.798 15.342 ( 0.000 3.321 -21.929) 22.179 15.483 ( 0.000 0.894 -18.811) 18.832 15.593 ( 0.000 -9.629 8.982) 13.168 15.901 ( 0.000 -6.747 -3.724) 7.707 16.085 ( 0.000 -17.117 7.504) 18.690 16.218 ( 0.000 -6.368 -0.390) 6.380 16.454 ( 0.000 -16.160 -7.912) 17.993 18.973 ( 0.000 7.148 4.491) 8.442 19.173 ( 0.000 2.490 6.806) 7.247 19.328 ( 0.000 9.204 6.371) 11.193 19.867 ( 0.000 -0.083 -4.553) 4.554 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.268 8.853 19.175) 21.122 2.052 ( 9.912 -3.367 21.881) 24.256 2.374 ( 2.274 -5.490 -10.357) 11.941 2.800 ( -1.603 0.256 -4.320) 4.615 3.098 ( 3.910 0.229 -0.616) 3.964 3.269 ( 3.233 -2.487 2.963) 5.041 3.308 ( -4.262 -7.280 -7.940) 11.585 3.394 ( -0.744 -0.518 -7.755) 7.808 3.610 ( -3.758 0.369 -6.715) 7.704 3.646 ( -1.972 -5.268 0.685) 5.667 3.987 ( -4.440 2.024 -6.737) 8.318 4.279 ( -7.037 -9.474 -7.604) 14.039 5.083 ( -2.382 9.669 11.629) 15.310 5.395 ( -2.036 17.859 1.147) 18.012 5.410 ( -9.899 5.519 12.882) 17.158 5.624 ( -3.925 3.139 11.361) 12.424 6.138 ( 8.896 -0.349 13.555) 16.217 6.365 ( 8.216 1.259 1.770) 8.498 6.672 ( 3.003 1.358 -5.014) 6.000 6.890 ( 7.029 -4.453 10.191) 13.156 7.064 ( -2.415 -6.236 -2.206) 7.042 7.168 ( -11.735 -5.092 -12.739) 18.053 7.524 ( -14.544 1.676 -12.741) 19.408 7.603 ( 2.229 2.423 -6.740) 7.502 7.688 ( 4.805 1.999 -4.337) 6.775 8.055 ( 2.165 3.630 4.496) 6.170 8.179 ( 1.408 -4.197 -4.407) 6.246 8.374 ( 8.001 2.112 -6.734) 10.669 8.598 ( 10.313 4.072 1.952) 11.258 8.734 ( 0.622 -9.246 0.059) 9.267 8.917 ( 5.529 -2.232 -4.576) 7.516 9.101 ( 7.130 -7.780 -9.804) 14.404 9.250 ( 6.114 6.528 7.729) 11.821 9.942 ( 3.332 3.701 -8.322) 9.698 10.321 ( 0.652 -5.050 9.419) 10.708 10.564 ( -3.261 -3.582 0.774) 4.905 10.615 ( 4.682 5.096 2.013) 7.207 10.691 ( 6.126 2.824 1.500) 6.910 11.076 ( 1.903 1.908 10.620) 10.957 11.194 ( 1.073 1.967 13.393) 13.579 11.837 ( -2.112 -3.676 0.310) 4.251 12.111 ( -0.525 -4.924 -9.053) 10.318 12.325 ( 1.590 2.225 -10.798) 11.139 12.406 ( -1.284 16.352 -4.593) 17.033 12.892 ( -6.428 1.526 -2.392) 7.026 13.482 ( 23.352 8.385 35.294) 43.143 13.866 ( 7.610 1.494 24.611) 25.804 14.395 ( -19.593 9.871 -30.036) 37.196 15.119 ( 2.404 -3.128 16.280) 16.751 15.464 ( 2.058 -2.325 -13.041) 13.405 15.573 ( 11.953 4.065 -22.867) 26.121 15.613 ( 2.750 -7.378 5.676) 9.706 15.842 ( -4.653 -4.279 2.023) 6.637 16.081 ( 0.880 -21.048 6.331) 21.997 16.292 ( 4.361 -11.199 -1.761) 12.146 16.485 ( 3.835 -11.911 -10.127) 16.097 18.877 ( -8.893 8.753 5.061) 13.465 19.142 ( -3.114 3.801 3.835) 6.233 19.293 ( -3.211 8.157 7.268) 11.387 19.834 ( -3.264 -0.125 -4.843) 5.841 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 0.549 9.390 12.784) 15.871 2.306 ( 14.539 -5.022 17.959) 23.646 2.442 ( 3.534 -3.730 -11.267) 12.384 2.748 ( -2.864 -4.767 -2.153) 5.964 3.056 ( -6.909 -7.873 2.407) 10.747 3.200 ( -6.185 -10.173 -3.582) 12.433 3.348 ( 3.090 5.211 -0.745) 6.104 3.433 ( 0.692 -1.654 -11.323) 11.464 3.513 ( -4.998 0.713 -6.523) 8.249 3.619 ( -0.290 -3.764 -7.366) 8.277 3.897 ( -2.868 -0.967 -0.075) 3.028 4.107 ( -8.642 -8.653 -5.003) 13.213 5.027 ( -2.134 10.353 9.668) 14.325 5.203 ( -9.173 2.121 12.172) 15.388 5.351 ( -2.839 20.938 -0.625) 21.139 5.561 ( -1.464 3.681 8.844) 9.691 6.325 ( 9.002 3.183 10.219) 13.986 6.536 ( 4.928 0.053 -9.562) 10.758 6.712 ( -5.429 -0.077 -12.706) 13.817 6.829 ( -8.897 -2.750 -8.614) 12.686 7.026 ( 1.654 2.544 1.502) 3.386 7.125 ( 5.157 -5.863 3.751) 8.662 7.275 ( -3.631 2.430 1.211) 4.534 7.676 ( 2.377 -2.886 -9.634) 10.334 7.777 ( 3.480 2.251 5.788) 7.119 8.089 ( 1.312 0.637 4.910) 5.121 8.182 ( -0.574 -4.107 1.357) 4.363 8.459 ( 0.344 -2.547 -3.697) 4.503 8.789 ( 5.447 -5.070 3.808) 8.359 8.848 ( 12.385 11.849 4.488) 17.718 9.056 ( 8.975 -4.310 -4.709) 11.014 9.253 ( 5.611 -1.128 -4.205) 7.102 9.420 ( 9.726 0.850 -0.270) 9.767 9.920 ( -5.289 8.056 -6.867) 11.833 10.365 ( 1.642 -6.685 8.075) 10.611 10.607 ( 8.025 -8.063 -0.166) 11.377 10.766 ( 9.963 3.869 4.711) 11.680 10.851 ( 9.379 1.046 3.435) 10.043 11.066 ( -1.029 2.863 8.225) 8.770 11.229 ( 2.223 1.417 7.984) 8.407 11.765 ( -3.967 1.422 0.147) 4.217 12.169 ( 5.529 -4.016 -1.812) 7.070 12.312 ( -3.761 0.487 -12.949) 13.493 12.429 ( 3.475 11.784 -11.429) 16.780 12.751 ( -7.562 3.822 -7.820) 11.530 13.875 ( -16.982 4.006 -15.504) 23.341 14.029 ( 28.377 7.278 28.521) 40.886 14.185 ( 10.995 6.939 17.704) 21.966 15.205 ( 6.266 -3.236 13.694) 15.403 15.427 ( -5.130 -1.509 -2.835) 6.053 15.645 ( 2.005 -6.936 -0.017) 7.220 15.782 ( 0.130 -4.696 9.872) 10.933 15.823 ( 7.839 2.619 -18.535) 20.294 16.136 ( 4.797 -22.250 4.651) 23.231 16.334 ( 0.300 -20.501 -1.099) 20.533 16.611 ( 7.110 -5.343 -11.668) 14.671 18.662 ( -11.154 12.669 4.161) 17.385 19.044 ( -6.751 8.620 -3.836) 11.602 19.221 ( -3.177 4.150 8.886) 10.309 19.738 ( -6.187 -0.212 -5.525) 8.298 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 3.788 8.783 4.892) 10.744 2.441 ( -4.298 -1.356 -9.709) 10.704 2.601 ( 12.539 -6.401 12.905) 19.098 2.728 ( 1.684 -4.630 -3.885) 6.274 2.932 ( -4.252 -7.088 -1.109) 8.340 3.066 ( -5.825 -10.840 1.809) 12.438 3.353 ( -3.785 -5.047 -2.333) 6.726 3.370 ( -3.460 1.248 -3.799) 5.287 3.435 ( -2.772 3.368 -6.335) 7.692 3.554 ( -6.380 1.101 -12.462) 14.044 3.878 ( -1.434 -11.411 2.373) 11.743 4.018 ( -0.102 -11.865 1.752) 11.995 5.040 ( 3.489 11.122 5.102) 12.724 5.093 ( 0.343 1.584 1.783) 2.409 5.275 ( -4.500 21.272 -2.470) 21.883 5.589 ( 4.377 7.714 4.325) 9.868 6.230 ( -21.840 -1.845 -18.597) 28.745 6.408 ( -16.730 5.059 -20.268) 26.764 6.622 ( 9.957 2.932 8.430) 13.372 6.905 ( 7.846 1.187 1.135) 8.016 7.078 ( 5.300 -0.294 3.218) 6.207 7.281 ( 8.786 3.946 8.606) 12.916 7.332 ( 4.126 -1.507 3.937) 5.898 7.677 ( -2.471 1.900 -4.599) 5.556 7.810 ( 0.741 -6.014 6.897) 9.181 8.100 ( -2.126 -7.008 0.557) 7.345 8.182 ( 2.192 1.506 6.483) 7.008 8.422 ( -3.268 -1.819 -0.111) 3.741 8.942 ( 9.565 -1.807 6.002) 11.436 9.063 ( 8.744 6.831 7.340) 13.304 9.247 ( 7.232 -2.556 -1.900) 7.902 9.327 ( 3.331 1.772 -0.193) 3.778 9.550 ( 1.896 1.109 -0.915) 2.380 9.805 ( -4.431 8.550 -6.904) 11.849 10.397 ( 2.198 -4.397 8.174) 9.538 10.666 ( -4.100 -9.516 8.104) 13.154 10.950 ( 6.540 5.882 14.389) 16.865 11.106 ( 15.767 -0.472 -5.621) 16.746 11.193 ( 15.066 0.214 -0.257) 15.070 11.249 ( -1.092 0.166 7.398) 7.480 11.736 ( 1.072 3.179 -3.126) 4.586 12.179 ( -9.429 -2.819 -17.713) 20.263 12.268 ( 3.469 -5.573 -2.098) 6.892 12.501 ( 1.911 6.712 -13.365) 15.077 12.629 ( -1.953 12.458 -7.889) 14.875 13.447 ( -21.947 11.845 -22.745) 33.754 14.485 ( 16.826 3.084 21.732) 27.657 14.648 ( 29.621 2.960 25.050) 38.906 15.237 ( -8.163 0.830 11.523) 14.146 15.408 ( 8.102 -6.410 1.155) 10.395 15.678 ( 0.977 -5.991 0.468) 6.088 15.834 ( 1.601 -6.049 3.985) 7.418 15.885 ( 2.579 -2.297 -0.047) 3.454 16.251 ( 5.697 -18.840 4.540) 20.200 16.325 ( -1.171 -24.004 0.549) 24.039 16.693 ( -0.512 -5.180 -4.622) 6.961 18.487 ( -4.843 16.882 -1.495) 17.626 18.872 ( -10.064 13.562 -8.996) 19.135 19.195 ( 1.034 0.670 5.075) 5.223 19.591 ( -8.264 -0.298 -5.979) 10.204 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 8.833 6.349 -3.013) 11.287 2.278 ( -10.511 2.451 -8.405) 13.680 2.739 ( 2.659 -6.588 0.571) 7.127 2.776 ( -0.352 -8.634 4.303) 9.654 2.929 ( 4.348 -2.703 -1.389) 5.305 2.999 ( -1.957 -8.529 1.859) 8.946 3.269 ( -1.208 -4.819 -3.788) 6.248 3.334 ( -5.585 -0.100 -5.413) 7.779 3.371 ( 1.770 0.762 -3.081) 3.634 3.444 ( -4.248 4.041 -3.207) 6.682 3.884 ( 2.813 -17.156 4.603) 17.984 3.973 ( -4.740 -17.601 5.697) 19.098 5.098 ( 3.458 12.338 -0.313) 12.817 5.178 ( -4.093 17.473 -2.146) 18.074 5.311 ( 17.805 3.440 -10.984) 21.201 5.739 ( -2.019 5.759 -10.300) 11.972 5.753 ( -10.774 3.010 -11.437) 15.998 6.041 ( -17.628 8.269 -14.152) 24.071 6.853 ( 10.662 3.635 8.157) 13.908 6.988 ( -1.535 1.830 4.019) 4.675 7.209 ( 7.703 -1.137 2.550) 8.193 7.340 ( -3.803 -1.374 3.206) 5.160 7.453 ( 7.632 7.960 7.964) 13.603 7.585 ( -5.833 7.973 3.434) 10.459 7.867 ( 5.297 -12.531 2.436) 13.821 7.999 ( -6.842 -10.686 0.259) 12.691 8.258 ( 4.439 1.268 5.344) 7.062 8.346 ( -4.166 -0.246 3.083) 5.188 9.140 ( 8.898 0.248 7.620) 11.718 9.215 ( 7.139 1.004 5.697) 9.188 9.260 ( -3.289 -1.747 4.126) 5.558 9.356 ( -4.883 1.485 5.958) 7.845 9.601 ( 6.470 6.164 -6.175) 10.862 9.729 ( -4.802 7.583 -6.961) 11.359 10.456 ( 3.673 -5.003 9.582) 11.417 10.549 ( -5.725 -6.794 10.504) 13.757 11.059 ( 5.125 6.282 14.247) 16.392 11.164 ( -5.099 3.651 10.883) 12.561 11.437 ( 15.148 -0.733 -2.049) 15.304 11.555 ( 16.460 -5.094 -10.848) 20.361 11.707 ( -4.778 0.184 -1.195) 4.929 11.931 ( -15.136 -3.782 -15.846) 22.237 12.350 ( 5.831 -5.135 -9.910) 12.593 12.462 ( -4.244 -1.303 -11.248) 12.092 12.736 ( 10.682 20.208 -12.441) 26.024 13.034 ( -18.522 17.360 -18.842) 31.614 14.789 ( 13.395 3.309 17.777) 22.503 15.029 ( -10.278 2.229 13.449) 17.073 15.203 ( 22.841 -1.882 14.387) 27.060 15.511 ( -3.391 -9.934 1.829) 10.655 15.678 ( 0.101 -3.281 1.332) 3.543 15.737 ( -5.843 -0.278 -1.990) 6.179 16.078 ( 12.398 -14.455 12.822) 22.958 16.266 ( -5.512 -25.020 5.083) 26.119 16.372 ( 7.483 -13.673 6.633) 16.939 16.571 ( -10.472 -5.361 5.532) 13.001 18.494 ( 5.247 18.159 -8.551) 20.746 18.661 ( -10.283 16.471 -10.715) 22.178 19.267 ( 5.962 -0.251 -1.245) 6.096 19.418 ( -8.549 -0.355 -5.035) 9.927 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.000 2.598 13.497) 13.745 2.175 ( 0.000 -2.052 -0.357) 2.083 2.243 ( 0.000 10.671 11.462) 15.660 2.829 ( 0.000 -7.909 3.443) 8.626 2.928 ( 0.000 -6.935 -7.462) 10.187 3.060 ( 0.000 -10.625 -5.411) 11.923 3.335 ( 0.000 4.861 -17.488) 18.151 3.466 ( 0.000 6.988 -0.615) 7.015 3.628 ( 0.000 0.280 -13.778) 13.781 3.690 ( 0.000 4.438 0.241) 4.444 3.983 ( 0.000 -6.951 -8.326) 10.846 4.107 ( 0.000 -12.120 -8.651) 14.891 5.405 ( 0.000 19.006 24.700) 31.166 5.665 ( 0.000 6.023 16.181) 17.266 5.824 ( 0.000 14.212 3.444) 14.623 5.872 ( 0.000 11.124 6.258) 12.763 5.938 ( 0.000 -2.829 14.627) 14.898 6.252 ( 0.000 -8.354 14.764) 16.963 6.662 ( 0.000 1.644 -3.501) 3.868 6.676 ( 0.000 -1.773 1.601) 2.389 6.906 ( 0.000 -8.323 1.946) 8.547 7.132 ( 0.000 -12.033 -6.648) 13.747 7.617 ( 0.000 3.246 -28.153) 28.340 7.732 ( 0.000 9.800 5.248) 11.117 7.764 ( 0.000 -2.647 -16.729) 16.937 8.118 ( 0.000 4.625 2.146) 5.099 8.125 ( 0.000 -1.069 -1.305) 1.687 8.402 ( 0.000 2.336 -11.737) 11.967 8.425 ( 0.000 -1.832 -1.999) 2.711 8.432 ( 0.000 -13.478 -2.901) 13.787 8.769 ( 0.000 -1.878 -6.928) 7.178 8.831 ( 0.000 -7.043 -7.647) 10.397 9.443 ( 0.000 12.034 16.098) 20.099 9.847 ( 0.000 -5.015 6.995) 8.607 10.338 ( 0.000 2.161 5.994) 6.371 10.517 ( 0.000 -5.535 -0.074) 5.536 10.631 ( 0.000 0.622 4.779) 4.819 10.663 ( 0.000 -0.230 -0.538) 0.585 11.166 ( 0.000 8.814 -0.293) 8.818 11.267 ( 0.000 5.599 14.389) 15.440 11.790 ( 0.000 -2.584 0.951) 2.753 11.921 ( 0.000 -10.470 -12.459) 16.274 12.395 ( 0.000 6.166 -12.889) 14.288 12.655 ( 0.000 -0.938 -18.100) 18.125 13.289 ( 0.000 24.535 21.564) 32.665 13.411 ( 0.000 10.437 31.326) 33.019 13.862 ( 0.000 5.694 23.639) 24.315 14.867 ( 0.000 7.112 -22.937) 24.014 15.017 ( 0.000 -1.981 14.936) 15.067 15.135 ( 0.000 -31.455 10.910) 33.293 15.410 ( 0.000 2.697 -23.728) 23.881 15.533 ( 0.000 3.482 -18.183) 18.514 15.593 ( 0.000 -10.515 -5.774) 11.995 15.950 ( 0.000 -1.076 5.561) 5.664 16.035 ( 0.000 -13.075 2.623) 13.336 16.092 ( 0.000 -11.924 -12.702) 17.422 19.116 ( 0.000 5.175 7.368) 9.004 19.200 ( 0.000 0.393 11.927) 11.934 19.569 ( 0.000 11.005 -1.154) 11.065 19.849 ( 0.000 -2.040 -4.217) 4.684 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 7.167 1.919 11.847) 13.978 2.228 ( 4.816 -1.385 -0.201) 5.015 2.233 ( -0.691 9.336 10.540) 14.097 2.763 ( -5.087 -5.017 0.820) 7.192 2.917 ( -2.117 -10.342 -3.774) 11.211 3.044 ( -2.234 -11.062 -6.404) 12.976 3.371 ( 3.485 5.184 -14.776) 16.042 3.445 ( -3.247 4.144 1.169) 5.392 3.578 ( -2.704 -2.923 -12.346) 12.972 3.689 ( -1.914 6.776 -5.198) 8.751 3.895 ( -6.102 -8.820 -6.441) 12.511 4.092 ( -2.589 -7.361 -9.483) 12.281 5.379 ( -4.591 15.087 23.034) 27.915 5.510 ( -12.897 4.119 16.799) 21.575 5.694 ( -3.101 7.970 11.071) 13.989 5.874 ( 0.924 18.729 -0.451) 18.757 6.160 ( 12.733 2.016 10.958) 16.920 6.349 ( 8.526 -5.880 10.493) 14.743 6.680 ( 1.131 -2.789 -3.304) 4.469 6.762 ( 8.093 -1.416 3.324) 8.863 6.926 ( 0.135 -6.188 -2.428) 6.648 7.004 ( -8.769 -9.560 -6.495) 14.507 7.570 ( -9.061 2.608 -19.901) 22.022 7.645 ( -4.429 0.763 -14.649) 15.322 7.790 ( 4.161 7.195 3.423) 8.989 8.068 ( -2.034 -4.058 -1.153) 4.683 8.123 ( -0.032 0.933 3.071) 3.209 8.381 ( -0.082 -3.450 -3.926) 5.227 8.505 ( 7.643 -7.176 -0.249) 10.486 8.686 ( 15.785 -1.425 -5.304) 16.713 8.856 ( 7.194 0.960 -7.416) 10.377 8.984 ( 15.787 -2.595 -10.754) 19.277 9.454 ( 0.772 11.285 15.617) 19.283 9.930 ( 7.917 -6.358 5.802) 11.695 10.265 ( -6.690 1.257 6.618) 9.494 10.460 ( -3.969 -5.563 0.821) 6.882 10.676 ( 4.077 0.451 3.794) 5.587 10.712 ( 4.660 -0.797 0.072) 4.729 11.195 ( 1.597 8.766 -2.736) 9.321 11.298 ( 2.801 6.976 13.178) 15.171 11.775 ( -1.515 -3.142 -1.607) 3.841 11.915 ( 0.654 -10.602 -9.501) 14.251 12.413 ( 1.140 5.896 -12.106) 13.514 12.650 ( -0.793 0.087 -16.835) 16.853 13.129 ( -7.351 22.708 17.165) 29.400 13.668 ( 15.543 5.060 29.387) 33.627 13.948 ( 9.375 9.174 24.755) 28.016 14.664 ( -14.570 13.376 -21.426) 29.160 15.037 ( 0.981 -6.835 10.940) 12.937 15.195 ( 5.840 -26.483 12.445) 29.839 15.402 ( -1.065 -5.343 -14.718) 15.694 15.554 ( -3.421 -14.085 -6.157) 15.748 15.705 ( 12.184 5.890 -20.341) 24.432 15.856 ( -4.846 -2.867 4.962) 7.505 16.023 ( -1.226 -8.675 6.048) 10.646 16.243 ( 10.728 -10.670 -14.869) 21.214 19.054 ( -5.616 6.654 7.135) 11.257 19.177 ( -2.133 0.166 10.685) 10.897 19.529 ( -3.935 11.124 -1.689) 11.920 19.814 ( -3.400 -2.132 -4.592) 6.098 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 5.432 7.076 4.282) 9.895 2.256 ( 5.875 2.824 15.559) 16.870 2.347 ( 6.125 -2.760 -2.677) 7.232 2.666 ( -3.647 -3.427 -1.521) 5.231 2.841 ( -4.823 -9.725 -0.755) 10.882 2.953 ( -6.651 -11.394 -5.291) 14.214 3.331 ( -6.769 -2.345 1.278) 7.277 3.429 ( -0.151 1.516 -10.339) 10.450 3.542 ( -1.320 -3.015 -14.268) 14.642 3.582 ( -7.157 -1.603 -4.795) 8.763 3.821 ( -1.671 -1.111 -5.149) 5.526 3.992 ( -7.150 -2.771 -9.558) 12.253 5.233 ( -7.110 5.680 13.805) 16.535 5.253 ( -10.508 2.236 14.172) 17.784 5.757 ( 6.881 17.079 12.568) 22.293 5.848 ( -3.682 21.503 -3.266) 22.059 6.415 ( 12.048 3.720 9.165) 15.588 6.525 ( 3.565 -2.642 -6.296) 7.702 6.631 ( -12.638 -6.179 -10.514) 17.562 6.749 ( 2.104 -10.244 1.335) 10.543 6.976 ( 11.448 -1.561 5.655) 12.864 7.059 ( 5.053 0.757 -3.034) 5.942 7.356 ( -7.160 4.149 -4.564) 9.450 7.594 ( -2.365 -4.930 -8.773) 10.337 7.854 ( 1.569 4.588 2.753) 5.576 8.039 ( -1.034 -3.592 0.761) 3.815 8.150 ( 1.913 0.121 4.580) 4.965 8.368 ( -1.433 -5.680 -1.670) 6.091 8.685 ( 10.245 -2.178 3.746) 11.123 8.899 ( 7.896 -8.068 -1.533) 11.392 9.155 ( 18.287 12.231 -6.465) 22.931 9.309 ( 12.873 4.480 -7.617) 15.614 9.467 ( 1.136 5.791 12.246) 13.594 10.090 ( -4.191 7.183 -2.364) 8.646 10.144 ( 6.129 -14.163 10.957) 18.926 10.406 ( -0.934 -9.084 1.605) 9.272 10.798 ( 8.505 -0.413 3.037) 9.040 10.836 ( 7.298 -2.298 1.248) 7.752 11.210 ( 0.956 10.105 -5.872) 11.726 11.361 ( 2.911 10.100 10.303) 14.718 11.738 ( -1.452 -4.554 -9.019) 10.208 11.970 ( 3.772 -11.484 -4.870) 13.031 12.401 ( -3.365 6.332 -7.428) 10.324 12.617 ( -2.458 0.536 -13.778) 14.006 13.046 ( -0.383 25.393 7.120) 26.375 13.877 ( 2.589 -4.558 12.064) 13.153 14.267 ( 20.788 12.736 25.490) 35.272 14.439 ( -3.789 17.012 -8.050) 19.198 15.066 ( 1.983 -13.563 9.341) 16.587 15.330 ( 4.217 -11.555 7.692) 14.507 15.396 ( 2.480 -11.235 -8.135) 14.091 15.480 ( -2.370 -20.968 -2.654) 21.268 15.732 ( -4.232 -2.790 8.736) 10.100 15.892 ( 0.435 -8.412 -0.824) 8.463 16.063 ( 7.016 3.828 -6.910) 10.566 16.448 ( 8.495 -9.128 -12.860) 17.913 18.922 ( -6.553 10.077 5.071) 13.046 19.129 ( -2.164 -0.027 6.694) 7.036 19.416 ( -7.057 11.195 -2.888) 13.546 19.715 ( -6.378 -2.364 -5.493) 8.744 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 2.066 11.430 1.654) 11.733 2.406 ( 0.411 -1.030 6.098) 6.198 2.460 ( 8.857 -5.512 4.673) 11.432 2.644 ( -0.028 -2.841 -4.140) 5.021 2.783 ( 1.778 -6.264 -3.729) 7.504 2.811 ( -5.674 -11.283 2.251) 12.829 3.201 ( -6.287 -5.493 0.958) 8.404 3.350 ( -4.882 -4.836 -9.868) 12.025 3.449 ( -5.898 -2.331 -4.592) 7.830 3.529 ( -0.872 -2.400 -7.510) 7.932 3.750 ( -6.868 -0.940 -3.650) 7.834 3.833 ( -7.618 -3.474 -6.219) 10.429 5.138 ( 0.521 2.345 2.474) 3.448 5.188 ( 2.841 2.203 4.543) 5.793 5.712 ( -9.202 17.254 -6.881) 20.729 5.926 ( 8.815 21.658 8.620) 24.921 6.168 ( -22.791 -3.899 -18.575) 29.659 6.538 ( -7.430 6.308 -14.018) 17.074 6.689 ( 12.711 1.823 10.445) 16.552 6.897 ( 7.436 -7.489 5.768) 12.027 7.080 ( 4.093 4.144 0.402) 5.838 7.238 ( 10.193 -1.872 5.552) 11.757 7.364 ( 4.830 -0.134 5.447) 7.281 7.554 ( -0.934 -10.937 -0.607) 10.993 7.839 ( -2.809 6.327 3.085) 7.579 8.013 ( -2.271 -0.635 0.505) 2.411 8.183 ( 1.470 -0.997 5.137) 5.436 8.322 ( -2.866 -6.636 0.304) 7.234 8.915 ( 12.200 -0.113 6.773) 13.955 9.054 ( 7.322 -5.169 2.558) 9.320 9.373 ( -2.337 6.741 7.170) 10.114 9.440 ( 5.071 9.723 7.591) 13.337 9.582 ( 9.620 4.380 -7.877) 13.183 9.975 ( -3.513 6.002 -2.801) 7.497 10.271 ( 3.391 -7.186 5.935) 9.918 10.400 ( -1.115 -13.784 4.444) 14.525 10.978 ( 7.684 -1.537 3.241) 8.480 11.053 ( 15.697 -4.261 -4.900) 16.987 11.269 ( 3.433 7.175 -8.580) 11.700 11.415 ( 4.106 14.454 9.690) 17.879 11.730 ( -0.034 -6.561 -13.010) 14.570 12.023 ( 1.272 -10.268 -5.768) 11.846 12.268 ( -8.966 6.178 -1.028) 10.937 12.542 ( -5.490 -1.866 -9.298) 10.958 13.122 ( 7.551 29.883 -1.713) 30.870 13.763 ( -10.695 14.721 -11.205) 21.369 14.559 ( 12.785 1.830 8.930) 15.702 14.685 ( 18.003 -1.220 18.270) 25.679 15.111 ( 2.014 -16.207 7.603) 18.015 15.301 ( -4.900 1.350 4.661) 6.896 15.414 ( 1.187 -20.482 -4.549) 21.015 15.566 ( 3.410 -16.807 0.629) 17.161 15.692 ( 2.213 -3.529 11.384) 12.122 15.900 ( 4.769 -11.861 11.672) 17.311 16.163 ( 0.693 5.957 -3.609) 6.999 16.539 ( -0.427 -8.611 -4.723) 9.831 18.832 ( -1.613 13.440 -0.115) 13.536 19.104 ( -0.717 2.949 -1.376) 3.332 19.264 ( -7.035 8.435 -2.551) 11.276 19.564 ( -8.445 -2.644 -6.249) 10.833 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 4.156 8.318 -0.467) 9.310 2.341 ( -5.144 3.362 -0.799) 6.197 2.574 ( 2.254 -8.588 5.658) 10.528 2.610 ( -2.096 -6.444 2.197) 7.124 2.812 ( 5.189 -5.185 3.523) 8.138 2.883 ( 2.440 -0.938 -6.396) 6.909 3.105 ( -0.082 -9.232 -1.022) 9.289 3.229 ( -8.328 -8.916 -7.551) 14.348 3.408 ( 3.361 1.777 -2.612) 4.613 3.510 ( -2.848 0.814 -3.409) 4.516 3.607 ( -3.160 -6.711 -1.608) 7.590 3.681 ( -7.260 -7.939 -1.486) 10.860 5.259 ( 10.087 4.215 -6.864) 12.909 5.353 ( 13.247 0.620 -7.099) 15.042 5.493 ( -11.636 9.645 -9.625) 17.918 5.714 ( -21.034 -2.381 -15.617) 26.306 6.117 ( 10.007 22.692 1.824) 24.867 6.333 ( -11.282 17.950 -7.275) 22.415 6.902 ( 7.689 -1.676 7.816) 11.092 6.978 ( 0.423 -5.773 4.957) 7.621 7.223 ( 7.834 2.812 4.208) 9.327 7.329 ( -1.415 0.457 4.297) 4.547 7.468 ( 5.240 -6.407 7.038) 10.865 7.556 ( -1.493 -13.011 4.663) 13.902 7.806 ( 2.514 10.551 2.775) 11.196 7.924 ( -6.455 4.793 0.812) 8.080 8.218 ( 2.144 -4.423 4.112) 6.409 8.266 ( -2.573 -6.892 2.559) 7.789 9.152 ( 10.294 0.643 8.021) 13.066 9.192 ( 6.929 -1.618 7.019) 9.994 9.293 ( -4.701 3.169 7.595) 9.478 9.377 ( -8.136 0.184 9.559) 12.554 9.790 ( 9.113 11.238 -6.607) 15.906 9.920 ( -3.761 9.178 -5.523) 11.353 10.313 ( 1.593 -7.855 6.282) 10.184 10.354 ( -2.632 -11.036 6.461) 13.056 11.124 ( 6.831 1.386 0.309) 6.977 11.241 ( -4.075 4.612 -3.683) 7.172 11.393 ( 14.717 -8.935 -10.883) 20.368 11.568 ( 4.322 6.605 -0.953) 7.951 11.704 ( 1.867 -1.942 -6.674) 7.197 11.934 ( -12.528 9.048 -1.193) 15.500 12.204 ( 6.326 -8.306 -3.415) 10.985 12.388 ( -9.554 -5.781 -5.918) 12.638 13.315 ( 10.808 32.361 -7.895) 35.019 13.537 ( -11.199 28.276 -12.508) 32.884 14.825 ( 11.653 -9.280 6.712) 16.339 14.921 ( 4.268 -21.385 3.558) 22.095 15.128 ( 0.052 -10.052 7.712) 12.670 15.184 ( -5.750 -2.074 7.298) 9.520 15.463 ( 3.392 -15.841 2.549) 16.399 15.541 ( -3.796 -12.778 0.379) 13.336 15.830 ( 11.235 -0.135 11.679) 16.207 16.059 ( -7.605 4.107 8.341) 12.011 16.142 ( 13.261 -8.814 11.289) 19.519 16.418 ( -11.108 -8.383 5.671) 15.027 18.871 ( 5.263 15.031 -5.820) 16.956 19.014 ( -7.865 14.364 -8.406) 18.407 19.242 ( 4.951 -2.426 -2.140) 5.914 19.388 ( -8.632 -2.889 -5.647) 10.712 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 -7.639 3.230) 8.294 2.020 ( 0.000 7.639 3.230) 8.294 2.569 ( 0.000 -14.111 9.275) 16.886 2.569 ( 0.000 14.111 9.275) 16.886 2.885 ( 0.000 -4.248 -8.611) 9.602 2.885 ( 0.000 4.248 -8.611) 9.602 3.463 ( 0.000 -5.209 -13.291) 14.276 3.463 ( 0.000 5.209 -13.291) 14.276 3.772 ( 0.000 -8.902 -6.449) 10.993 3.772 ( 0.000 8.902 -6.449) 10.993 3.863 ( 0.000 -8.558 -7.154) 11.155 3.863 ( 0.000 8.558 -7.154) 11.155 5.794 ( 0.000 -6.162 17.429) 18.487 5.794 ( 0.000 6.162 17.429) 18.487 5.867 ( 0.000 -20.664 27.874) 34.699 5.867 ( 0.000 20.664 27.874) 34.699 6.042 ( 0.000 -2.321 -1.095) 2.566 6.042 ( 0.000 2.321 -1.095) 2.566 6.727 ( 0.000 -3.866 -1.801) 4.265 6.727 ( 0.000 3.866 -1.801) 4.265 6.850 ( 0.000 -11.423 -2.937) 11.794 6.850 ( 0.000 11.423 -2.937) 11.794 7.692 ( 0.000 -3.633 -22.353) 22.646 7.692 ( 0.000 3.633 -22.353) 22.646 7.982 ( 0.000 -11.962 3.948) 12.596 7.982 ( 0.000 11.962 3.948) 12.596 8.216 ( 0.000 -4.896 -2.263) 5.394 8.216 ( 0.000 4.896 -2.263) 5.394 8.413 ( 0.000 -0.815 -8.864) 8.902 8.413 ( 0.000 0.815 -8.864) 8.902 8.760 ( 0.000 -0.706 -6.681) 6.719 8.760 ( 0.000 0.706 -6.681) 6.719 9.682 ( 0.000 -9.719 15.296) 18.122 9.682 ( 0.000 9.719 15.296) 18.122 10.410 ( 0.000 -4.207 2.929) 5.126 10.410 ( 0.000 4.207 2.929) 5.126 10.640 ( 0.000 -0.936 1.789) 2.019 10.640 ( 0.000 0.936 1.789) 2.019 11.325 ( 0.000 -2.975 3.544) 4.627 11.325 ( 0.000 2.975 3.544) 4.627 11.763 ( 0.000 -2.196 -3.344) 4.000 11.763 ( 0.000 2.196 -3.344) 4.000 12.545 ( 0.000 -7.037 -15.850) 17.342 12.545 ( 0.000 7.037 -15.850) 17.342 13.574 ( 0.000 -2.079 26.445) 26.527 13.574 ( 0.000 2.079 26.445) 26.527 14.300 ( 0.000 -35.429 16.664) 39.153 14.300 ( 0.000 35.429 16.664) 39.153 15.007 ( 0.000 -0.469 -0.152) 0.493 15.007 ( 0.000 0.469 -0.152) 0.493 15.461 ( 0.000 -2.651 -17.769) 17.965 15.461 ( 0.000 2.651 -17.769) 17.965 15.710 ( 0.000 -12.723 -18.145) 22.161 15.710 ( 0.000 12.723 -18.145) 22.161 15.964 ( 0.000 -2.700 5.278) 5.929 15.964 ( 0.000 2.700 5.278) 5.929 19.188 ( 0.000 -1.699 10.492) 10.628 19.188 ( 0.000 1.699 10.492) 10.628 19.761 ( 0.000 -6.392 -3.232) 7.162 19.761 ( 0.000 6.392 -3.232) 7.162 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 5.207 -6.766 3.084) 9.078 2.074 ( 5.207 6.766 3.084) 9.078 2.552 ( -1.551 -13.191 8.959) 16.021 2.552 ( -1.551 13.191 8.959) 16.021 2.853 ( -3.166 -4.724 -8.357) 10.108 2.853 ( -3.166 4.724 -8.357) 10.108 3.479 ( 1.234 -4.257 -12.950) 13.688 3.479 ( 1.234 4.257 -12.950) 13.688 3.618 ( -10.755 -9.368 -4.919) 15.087 3.618 ( -10.755 9.368 -4.919) 15.087 3.923 ( 1.875 -8.418 -8.334) 11.994 3.923 ( 1.875 8.418 -8.334) 11.994 5.551 ( -14.882 -1.321 19.487) 24.555 5.551 ( -14.882 1.321 19.487) 24.555 6.013 ( 7.396 -18.723 13.208) 24.078 6.013 ( 7.396 18.723 13.208) 24.078 6.161 ( 10.398 -4.464 8.344) 14.060 6.161 ( 10.398 4.464 8.344) 14.060 6.739 ( -7.097 -8.482 -7.981) 13.638 6.739 ( -7.097 8.482 -7.981) 13.638 6.836 ( 6.857 -4.844 1.699) 8.566 6.836 ( 6.857 4.844 1.699) 8.566 7.628 ( -6.448 -2.173 -19.185) 20.356 7.628 ( -6.448 2.173 -19.185) 20.356 7.956 ( -1.392 -6.688 1.770) 7.057 7.956 ( -1.392 6.688 1.770) 7.057 8.194 ( 0.840 -7.278 0.238) 7.330 8.194 ( 0.840 7.278 0.238) 7.330 8.557 ( 8.799 -6.790 -2.578) 11.409 8.557 ( 8.799 6.790 -2.578) 11.409 8.935 ( 16.789 -3.138 -11.148) 20.396 8.935 ( 16.789 3.138 -11.148) 20.396 9.712 ( 2.722 -12.048 15.909) 20.141 9.712 ( 2.722 12.048 15.909) 20.141 10.343 ( -5.550 -4.952 2.434) 7.826 10.343 ( -5.550 4.952 2.434) 7.826 10.684 ( 3.978 -0.996 1.774) 4.468 10.684 ( 3.978 0.996 1.774) 4.468 11.370 ( 3.758 -3.861 0.453) 5.407 11.370 ( 3.758 3.861 0.453) 5.407 11.741 ( -1.543 -3.198 -2.451) 4.314 11.741 ( -1.543 3.198 -2.451) 4.314 12.555 ( 0.564 -6.553 -14.735) 16.136 12.555 ( 0.564 6.553 -14.735) 16.136 13.573 ( 0.276 -13.535 22.418) 26.188 13.573 ( 0.276 13.535 22.418) 26.188 14.396 ( 9.070 -30.661 18.931) 37.159 14.396 ( 9.070 30.661 18.931) 37.159 14.973 ( -3.497 -8.913 -6.630) 11.646 14.973 ( -3.497 8.913 -6.630) 11.646 15.345 ( -6.140 -2.965 -8.354) 10.783 15.345 ( -6.140 2.965 -8.354) 10.783 15.795 ( 1.523 -2.812 -5.004) 5.939 15.795 ( 1.523 2.812 -5.004) 5.939 16.033 ( 8.587 -7.622 -7.806) 13.884 16.033 ( 8.587 7.622 -7.806) 13.884 19.153 ( -3.233 -2.584 9.699) 10.545 19.153 ( -3.233 2.584 9.699) 10.545 19.724 ( -3.640 -6.530 -3.739) 8.359 19.724 ( -3.640 6.530 -3.739) 8.359 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 7.804 -3.898 3.459) 9.384 2.212 ( 7.804 3.898 3.459) 9.384 2.522 ( -0.728 -11.020 6.611) 12.871 2.522 ( -0.728 11.020 6.611) 12.871 2.760 ( -5.752 -4.058 -6.109) 9.321 2.760 ( -5.752 4.058 -6.109) 9.321 3.392 ( -10.573 -6.402 -6.438) 13.936 3.392 ( -10.573 6.402 -6.438) 13.936 3.493 ( -0.764 -0.467 -8.493) 8.540 3.493 ( -0.764 0.467 -8.493) 8.540 3.909 ( -3.337 -5.227 -8.937) 10.878 3.909 ( -3.337 5.227 -8.937) 10.878 5.281 ( -10.449 -0.337 13.968) 17.447 5.281 ( -10.449 0.337 13.968) 17.447 6.143 ( 3.796 -7.382 1.639) 8.461 6.143 ( 3.796 7.382 1.639) 8.461 6.381 ( 6.441 -2.909 11.212) 13.253 6.381 ( 6.441 2.909 11.212) 13.253 6.561 ( -3.275 -0.436 -6.380) 7.185 6.561 ( -3.275 0.436 -6.380) 7.185 7.038 ( 11.282 -3.340 0.786) 11.792 7.038 ( 11.282 3.340 0.786) 11.792 7.465 ( -8.512 -6.225 -9.909) 14.470 7.465 ( -8.512 6.225 -9.909) 14.470 7.951 ( 0.743 -4.253 1.226) 4.488 7.951 ( 0.743 4.253 1.226) 4.488 8.221 ( 0.591 -6.526 2.072) 6.872 8.221 ( 0.591 6.526 2.072) 6.872 8.738 ( 9.917 -6.084 2.316) 11.863 8.738 ( 9.917 6.084 2.316) 11.863 9.311 ( 16.795 -3.734 -9.672) 19.737 9.311 ( 16.795 3.734 -9.672) 19.737 9.774 ( 3.379 -18.580 14.145) 23.595 9.774 ( 3.379 18.580 14.145) 23.595 10.237 ( -3.978 -6.865 0.881) 7.983 10.237 ( -3.978 6.865 0.881) 7.983 10.795 ( 7.170 -0.784 1.636) 7.396 10.795 ( 7.170 0.784 1.636) 7.396 11.442 ( 3.167 -8.332 -7.418) 11.596 11.442 ( 3.167 8.332 -7.418) 11.596 11.726 ( 0.206 -9.219 0.474) 9.233 11.726 ( 0.206 9.219 0.474) 9.233 12.543 ( -2.347 -5.934 -10.449) 12.243 12.543 ( -2.347 5.934 -10.449) 12.243 13.609 ( 4.058 -21.448 12.912) 25.362 13.609 ( 4.058 21.448 12.912) 25.362 14.607 ( 8.289 -20.347 16.235) 27.318 14.607 ( 8.289 20.347 16.235) 27.318 14.891 ( -1.972 -23.095 -9.326) 24.985 14.891 ( -1.972 23.095 -9.326) 24.985 15.297 ( 1.503 -2.244 2.774) 3.872 15.297 ( 1.503 2.244 2.774) 3.872 15.753 ( -3.857 -3.892 6.132) 8.223 15.753 ( -3.857 3.892 6.132) 8.223 16.239 ( 9.212 -9.733 -12.809) 18.538 16.239 ( 9.212 9.733 -12.809) 18.538 19.080 ( -3.356 -4.568 6.778) 8.836 19.080 ( -3.356 4.568 6.778) 8.836 19.618 ( -6.763 -6.889 -5.009) 10.876 19.618 ( -6.763 6.889 -5.009) 10.876 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 4.299 -3.928 6.025) 8.379 2.343 ( 4.299 3.928 6.025) 8.379 2.528 ( -1.147 -9.474 0.333) 9.549 2.528 ( -1.147 9.474 0.333) 9.549 2.681 ( 1.618 -1.757 -1.534) 2.839 2.681 ( 1.618 1.757 -1.534) 2.839 3.204 ( -8.260 -5.537 -5.152) 11.200 3.204 ( -8.260 5.537 -5.152) 11.200 3.455 ( -2.293 -2.484 -6.154) 7.021 3.455 ( -2.293 2.484 -6.154) 7.021 3.786 ( -8.710 -2.286 -6.694) 11.220 3.786 ( -8.710 2.286 -6.694) 11.220 5.184 ( 1.408 -1.652 3.044) 3.739 5.184 ( 1.408 1.652 3.044) 3.739 6.002 ( -16.424 -9.580 -13.221) 23.159 6.002 ( -16.424 9.580 -13.221) 23.159 6.441 ( 6.884 -20.339 4.914) 22.027 6.441 ( 6.884 20.339 4.914) 22.027 6.717 ( 8.394 -4.155 5.432) 10.827 6.717 ( 8.394 4.155 5.431) 10.827 7.231 ( 6.074 -5.257 -0.783) 8.071 7.231 ( 6.074 5.257 -0.783) 8.071 7.344 ( -1.232 -3.712 3.029) 4.947 7.344 ( -1.232 3.712 3.029) 4.947 7.975 ( 1.578 -4.517 1.940) 5.163 7.975 ( 1.578 4.517 1.940) 5.163 8.197 ( -3.006 -3.406 2.436) 5.155 8.197 ( -3.006 3.406 2.436) 5.155 8.952 ( 10.968 -3.565 5.705) 12.867 8.952 ( 10.968 3.565 5.705) 12.867 9.472 ( -1.263 -3.227 6.176) 7.082 9.472 ( -1.263 3.227 6.176) 7.082 9.891 ( 8.361 -16.400 0.044) 18.409 9.891 ( 8.361 16.400 0.044) 18.409 10.192 ( -1.276 -4.628 1.154) 4.937 10.192 ( -1.276 4.628 1.154) 4.937 10.976 ( 10.756 -2.009 -1.250) 11.013 10.976 ( 10.756 2.009 -1.250) 11.013 11.492 ( 0.540 -12.071 -14.982) 19.247 11.492 ( 0.540 12.071 -14.982) 19.247 11.754 ( 3.873 -14.402 4.295) 15.520 11.754 ( 3.873 14.402 4.295) 15.520 12.438 ( -8.441 -7.393 -4.088) 11.942 12.438 ( -8.441 7.393 -4.088) 11.942 13.762 ( 11.277 -22.156 2.498) 24.986 13.762 ( 11.277 22.156 2.498) 24.986 14.568 ( -9.215 -6.856 -6.954) 13.427 14.568 ( -9.215 6.856 -6.954) 13.427 15.008 ( 9.662 -9.775 12.114) 18.321 15.008 ( 9.662 9.775 12.114) 18.321 15.369 ( 2.802 -4.955 3.656) 6.765 15.369 ( 2.802 4.955 3.656) 6.765 15.718 ( 3.601 -5.303 12.156) 13.742 15.718 ( 3.601 5.303 12.156) 13.742 16.340 ( 0.002 -9.266 -4.778) 10.426 16.340 ( 0.002 9.266 -4.778) 10.426 19.047 ( 0.709 -6.464 1.428) 6.658 19.047 ( 0.709 6.464 1.428) 6.658 19.459 ( -8.845 -7.310 -6.324) 13.102 19.459 ( -8.845 7.310 -6.324) 13.102 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 2.224 -5.949 5.391) 8.331 2.399 ( 2.224 5.949 5.391) 8.331 2.456 ( -3.760 -6.153 2.598) 7.665 2.456 ( -3.760 6.153 2.598) 7.665 2.835 ( 10.393 -5.496 -3.235) 12.194 2.835 ( 10.393 5.496 -3.235) 12.194 3.036 ( -9.117 -6.129 -4.297) 11.796 3.036 ( -9.117 6.129 -4.297) 11.796 3.454 ( 3.335 -2.934 -3.810) 5.852 3.454 ( 3.335 2.934 -3.810) 5.852 3.592 ( -9.464 -1.958 -3.675) 10.339 3.592 ( -9.464 1.958 -3.675) 10.339 5.329 ( 12.217 -2.401 -7.999) 14.799 5.329 ( 12.217 2.401 -7.999) 14.799 5.640 ( -17.889 -4.652 -13.915) 23.136 5.640 ( -17.889 4.652 -13.915) 23.136 6.607 ( 8.641 -17.700 3.479) 20.001 6.607 ( 8.641 17.700 3.479) 20.001 6.752 ( -4.451 -12.538 2.017) 13.457 6.752 ( -4.451 12.538 2.017) 13.457 7.317 ( 4.836 -5.582 5.446) 9.176 7.317 ( 4.836 5.582 5.446) 9.176 7.377 ( 0.128 -4.094 5.803) 7.103 7.377 ( 0.128 4.094 5.803) 7.103 8.024 ( 3.530 -4.670 2.503) 6.367 8.024 ( 3.530 4.670 2.503) 6.367 8.113 ( -4.869 -1.433 2.726) 5.761 8.113 ( -4.869 1.433 2.726) 5.761 9.166 ( 10.217 -0.810 8.204) 13.128 9.166 ( 10.217 0.810 8.204) 13.128 9.356 ( -8.398 -2.155 9.792) 13.078 9.356 ( -8.398 2.155 9.792) 13.078 10.048 ( 6.546 -8.007 -1.321) 10.426 10.048 ( 6.546 8.007 -1.321) 10.426 10.149 ( -3.518 -3.457 0.948) 5.022 10.149 ( -3.518 3.457 0.948) 5.022 11.208 ( 11.576 -6.710 -7.185) 15.187 11.208 ( 11.576 6.710 -7.185) 15.187 11.412 ( -8.023 -10.355 -12.592) 18.170 11.412 ( -8.023 10.355 -12.592) 18.170 11.931 ( 12.892 -12.641 2.421) 18.217 11.931 ( 12.892 12.641 2.421) 18.217 12.211 ( -13.608 -10.021 0.044) 16.899 12.211 ( -13.608 10.021 0.044) 16.899 14.037 ( 15.121 -19.058 -4.241) 24.695 14.037 ( 15.121 19.058 -4.241) 24.695 14.332 ( -13.662 -15.010 -7.527) 21.648 14.332 ( -13.662 15.010 -7.527) 21.648 15.182 ( 7.741 -9.642 9.582) 15.643 15.182 ( 7.741 9.642 9.582) 15.643 15.323 ( -5.936 -8.330 5.521) 11.623 15.323 ( -5.936 8.330 5.521) 11.623 15.943 ( 15.563 -8.055 12.782) 21.690 15.943 ( 15.563 8.055 12.782) 21.690 16.227 ( -10.931 -8.836 5.712) 15.172 16.227 ( -10.931 8.836 5.712) 15.172 19.118 ( 6.137 -7.448 -3.963) 10.432 19.118 ( 6.137 7.448 -3.963) 10.432 19.276 ( -9.021 -7.589 -6.486) 13.455 19.276 ( -9.021 7.589 -6.486) 13.455 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 0.000 0.000 14.682) 14.682 2.459 ( 0.000 0.000 13.223) 13.223 2.466 ( 0.000 0.000 -13.469) 13.469 2.520 ( 0.000 0.000 20.430) 20.430 2.852 ( 0.000 0.000 -21.417) 21.417 2.864 ( 0.000 0.000 -12.648) 12.648 3.536 ( 0.000 0.000 4.027) 4.027 3.545 ( 0.000 0.000 3.044) 3.044 3.603 ( 0.000 0.000 -1.532) 1.532 3.679 ( 0.000 0.000 -8.887) 8.887 4.101 ( 0.000 0.000 12.514) 12.514 4.318 ( 0.000 0.000 -9.240) 9.240 5.054 ( 0.000 0.000 1.750) 1.750 5.103 ( 0.000 0.000 -3.038) 3.038 5.913 ( 0.000 0.000 14.054) 14.054 5.971 ( 0.000 0.000 32.549) 32.549 6.163 ( 0.000 0.000 -9.173) 9.173 6.338 ( 0.000 0.000 8.541) 8.541 6.558 ( 0.000 0.000 -3.313) 3.313 6.801 ( 0.000 0.000 -35.655) 35.655 7.147 ( 0.000 0.000 0.706) 0.706 7.225 ( 0.000 0.000 17.594) 17.594 7.230 ( 0.000 0.000 -7.330) 7.330 7.565 ( 0.000 0.000 -14.548) 14.548 7.697 ( 0.000 0.000 9.411) 9.411 7.921 ( 0.000 0.000 -12.178) 12.178 7.999 ( 0.000 0.000 0.775) 0.775 8.018 ( 0.000 0.000 -1.682) 1.682 8.711 ( 0.000 0.000 9.782) 9.782 8.849 ( 0.000 0.000 -0.469) 0.469 8.857 ( 0.000 0.000 -1.252) 1.252 8.934 ( 0.000 0.000 -11.509) 11.509 9.290 ( 0.000 0.000 13.657) 13.657 9.580 ( 0.000 0.000 -14.232) 14.232 10.482 ( 0.000 0.000 5.789) 5.789 10.530 ( 0.000 0.000 2.226) 2.226 10.569 ( 0.000 0.000 -1.279) 1.279 10.598 ( 0.000 0.000 -5.271) 5.271 11.433 ( 0.000 0.000 19.933) 19.933 11.573 ( 0.000 0.000 21.605) 21.605 11.815 ( 0.000 0.000 -17.591) 17.591 11.991 ( 0.000 0.000 -16.785) 16.785 12.001 ( 0.000 0.000 3.270) 3.270 12.124 ( 0.000 0.000 -8.610) 8.610 13.209 ( 0.000 0.000 22.345) 22.345 13.726 ( 0.000 0.000 -10.410) 10.410 14.005 ( 0.000 0.000 17.687) 17.687 14.344 ( 0.000 0.000 30.419) 30.419 14.699 ( 0.000 0.000 -33.349) 33.349 14.958 ( 0.000 0.000 -28.470) 28.470 15.509 ( 0.000 0.000 14.611) 14.611 15.735 ( 0.000 0.000 -6.510) 6.510 16.015 ( 0.000 0.000 8.386) 8.386 16.182 ( 0.000 0.000 -6.995) 6.995 16.446 ( 0.000 0.000 5.403) 5.403 16.555 ( 0.000 0.000 -5.133) 5.133 18.957 ( 0.000 0.000 4.038) 4.038 19.039 ( 0.000 0.000 -3.886) 3.886 19.542 ( 0.000 0.000 12.026) 12.026 19.742 ( 0.000 0.000 -7.670) 7.670 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -2.861 0.000 12.817) 13.132 2.299 ( -4.421 0.000 -2.347) 5.006 2.586 ( 6.335 0.000 19.380) 20.389 2.695 ( 10.753 0.000 0.384) 10.760 2.915 ( 4.868 0.000 -12.055) 13.001 2.924 ( 6.133 0.000 -18.718) 19.698 3.467 ( -5.891 0.000 2.943) 6.586 3.506 ( -8.415 0.000 -0.217) 8.417 3.507 ( -3.692 0.000 2.563) 4.495 3.631 ( -4.610 0.000 -8.463) 9.637 4.093 ( -0.537 0.000 10.246) 10.260 4.268 ( -4.441 0.000 -7.587) 8.792 5.025 ( -2.819 0.000 2.119) 3.527 5.079 ( -2.423 0.000 -3.118) 3.949 5.857 ( -10.023 0.000 31.323) 32.888 5.893 ( -2.584 0.000 15.952) 16.160 6.204 ( 2.490 0.000 -12.886) 13.124 6.359 ( 0.064 0.000 0.193) 0.203 6.546 ( -1.638 0.000 -5.446) 5.687 6.703 ( -5.390 0.000 -22.098) 22.746 7.168 ( 2.100 0.000 3.135) 3.773 7.169 ( -3.097 0.000 11.769) 12.170 7.318 ( 6.354 0.000 -11.269) 12.938 7.372 ( -11.508 0.000 -7.687) 13.839 7.795 ( 8.679 0.000 10.687) 13.768 8.031 ( 8.972 0.000 -11.504) 14.589 8.089 ( 7.057 0.000 4.834) 8.554 8.206 ( 11.266 0.000 -6.477) 12.995 8.758 ( 5.135 0.000 10.770) 11.932 8.855 ( 1.400 0.000 1.316) 1.921 8.895 ( 3.774 0.000 -2.333) 4.437 8.988 ( 5.339 0.000 -11.321) 12.517 9.327 ( 3.603 0.000 11.251) 11.814 9.596 ( 0.954 0.000 -14.045) 14.078 10.498 ( 2.092 0.000 4.552) 5.010 10.580 ( -0.910 0.000 -3.125) 3.255 10.601 ( 7.193 0.000 3.028) 7.805 10.654 ( 8.293 0.000 -1.687) 8.463 11.451 ( 0.580 0.000 19.617) 19.625 11.539 ( -3.232 0.000 20.459) 20.713 11.849 ( 2.614 0.000 -18.922) 19.101 11.928 ( -5.859 0.000 -14.447) 15.590 12.038 ( 3.697 0.000 2.123) 4.263 12.131 ( 1.148 0.000 -7.032) 7.125 13.023 ( -14.290 0.000 20.528) 25.012 13.572 ( -16.101 0.000 -29.648) 33.738 14.200 ( 19.456 0.000 36.172) 41.073 14.437 ( 8.906 0.000 29.424) 30.743 14.921 ( 17.776 0.000 -32.444) 36.995 15.013 ( 5.059 0.000 -25.257) 25.759 15.533 ( 2.171 0.000 12.690) 12.874 15.725 ( -0.858 0.000 -4.964) 5.037 16.023 ( 1.035 0.000 9.120) 9.179 16.212 ( 3.289 0.000 -9.049) 9.628 16.464 ( 1.760 0.000 5.056) 5.354 16.565 ( 0.977 0.000 -4.702) 4.802 18.862 ( -9.102 0.000 5.133) 10.449 18.967 ( -7.092 0.000 -4.924) 8.634 19.508 ( -3.259 0.000 11.633) 12.081 19.706 ( -3.578 0.000 -7.741) 8.528 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -5.369 0.000 10.709) 11.979 2.256 ( -1.835 0.000 -8.076) 8.282 2.757 ( 10.095 0.000 16.670) 19.489 2.831 ( 1.949 0.000 3.638) 4.127 3.019 ( 0.908 0.000 -14.407) 14.436 3.047 ( 7.865 0.000 -10.560) 13.167 3.327 ( -6.248 0.000 2.021) 6.566 3.373 ( -3.327 0.000 -1.685) 3.730 3.403 ( -6.392 0.000 1.636) 6.598 3.503 ( -7.666 0.000 -7.108) 10.454 4.109 ( 3.138 0.000 5.413) 6.257 4.185 ( -2.211 0.000 -2.916) 3.659 4.949 ( -4.448 0.000 2.551) 5.128 5.009 ( -4.306 0.000 -3.289) 5.419 5.609 ( -14.124 0.000 27.394) 30.821 5.794 ( -6.874 0.000 16.072) 17.480 6.168 ( -7.524 0.000 -19.629) 21.022 6.190 ( -16.462 0.000 -25.761) 30.571 6.578 ( 6.341 0.000 7.010) 9.453 6.712 ( 5.280 0.000 -5.480) 7.610 7.163 ( 3.457 0.000 9.192) 9.821 7.217 ( 2.428 0.000 5.882) 6.363 7.287 ( 3.403 0.000 -2.365) 4.144 7.425 ( 3.534 0.000 -13.360) 13.820 7.982 ( 8.364 0.000 11.482) 14.206 8.184 ( 4.941 0.000 -7.288) 8.805 8.200 ( 3.423 0.000 7.140) 7.919 8.351 ( 2.969 0.000 -7.262) 7.846 8.924 ( 10.650 0.000 10.555) 14.995 8.931 ( 6.626 0.000 4.638) 8.088 9.025 ( 8.987 0.000 -3.782) 9.750 9.130 ( 7.972 0.000 -9.388) 12.316 9.420 ( 5.064 0.000 4.574) 6.824 9.592 ( -1.750 0.000 -10.795) 10.936 10.552 ( 2.370 0.000 4.145) 4.775 10.624 ( 6.492 0.000 -3.254) 7.262 10.819 ( 14.228 0.000 4.420) 14.899 10.888 ( 14.472 0.000 -1.465) 14.546 11.424 ( -3.095 0.000 20.407) 20.640 11.459 ( -4.170 0.000 16.790) 17.300 11.781 ( -7.985 0.000 -9.970) 12.773 11.872 ( -1.125 0.000 -23.025) 23.052 12.141 ( 5.799 0.000 0.415) 5.814 12.184 ( 3.881 0.000 -3.611) 5.301 12.719 ( -15.552 0.000 14.746) 21.431 13.192 ( -20.248 0.000 -27.984) 34.541 14.660 ( 24.457 0.000 33.030) 41.099 14.669 ( 13.132 0.000 25.997) 29.126 15.139 ( 6.779 0.000 -18.546) 19.746 15.290 ( 17.302 0.000 -27.728) 32.683 15.575 ( 1.304 0.000 10.725) 10.804 15.715 ( 0.229 0.000 -2.786) 2.795 16.074 ( 4.696 0.000 11.689) 12.597 16.330 ( 8.634 0.000 -13.432) 15.968 16.515 ( 3.237 0.000 4.113) 5.234 16.594 ( 1.898 0.000 -3.540) 4.017 18.615 ( -14.756 0.000 7.026) 16.344 18.766 ( -12.498 0.000 -7.432) 14.541 19.420 ( -5.211 0.000 10.157) 11.416 19.603 ( -6.409 0.000 -7.717) 10.031 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -3.837 0.000 7.630) 8.541 2.180 ( -6.031 0.000 -11.875) 13.319 2.813 ( -1.702 0.000 4.655) 4.957 2.952 ( -5.368 0.000 -7.440) 9.174 2.955 ( 8.361 0.000 12.435) 14.984 3.194 ( 3.868 0.000 -10.739) 11.414 3.261 ( -1.582 0.000 0.874) 1.808 3.277 ( -3.672 0.000 3.606) 5.147 3.326 ( -2.480 0.000 -4.207) 4.883 3.360 ( -5.225 0.000 -4.581) 6.949 4.195 ( 5.756 0.000 4.870) 7.540 4.278 ( 10.890 0.000 -1.714) 11.024 4.863 ( -3.660 0.000 1.592) 3.992 4.917 ( -4.601 0.000 -3.280) 5.650 5.311 ( -14.592 0.000 19.915) 24.689 5.658 ( -5.526 0.000 10.286) 11.676 5.793 ( -21.815 0.000 -25.017) 33.193 5.940 ( -13.028 0.000 -16.986) 21.407 6.755 ( 10.350 0.000 8.054) 13.115 6.867 ( 9.207 0.000 -2.982) 9.677 7.251 ( 0.690 0.000 5.938) 5.978 7.303 ( 8.810 0.000 8.932) 12.546 7.412 ( 6.780 0.000 -1.331) 6.910 7.442 ( -2.019 0.000 -11.051) 11.234 8.104 ( 4.082 0.000 8.474) 9.406 8.230 ( 0.248 0.000 -3.308) 3.317 8.237 ( 0.795 0.000 6.105) 6.157 8.354 ( -1.854 0.000 -4.967) 5.302 9.108 ( 9.845 0.000 7.504) 12.379 9.138 ( 9.745 0.000 7.605) 12.361 9.222 ( 9.878 0.000 -2.905) 10.296 9.273 ( 5.612 0.000 -5.420) 7.802 9.498 ( 0.485 0.000 -1.489) 1.566 9.534 ( -2.217 0.000 -5.691) 6.107 10.621 ( 4.749 0.000 8.106) 9.395 10.777 ( 6.662 0.000 -6.570) 9.357 11.150 ( 17.640 0.000 5.366) 18.438 11.176 ( 11.253 0.000 4.234) 12.023 11.369 ( -0.696 0.000 17.967) 17.981 11.401 ( -0.630 0.000 9.643) 9.663 11.660 ( -1.521 0.000 -7.985) 8.129 11.802 ( -5.783 0.000 -22.560) 23.289 12.233 ( 3.268 0.000 -1.178) 3.474 12.267 ( 3.563 0.000 -3.699) 5.136 12.402 ( -15.756 0.000 8.694) 17.996 12.781 ( -20.581 0.000 -23.967) 31.591 14.922 ( 11.267 0.000 20.313) 23.228 15.131 ( 21.487 0.000 23.900) 32.139 15.246 ( 2.778 0.000 -10.172) 10.544 15.566 ( 9.254 0.000 -17.892) 20.143 15.590 ( 1.160 0.000 8.835) 8.911 15.722 ( -0.263 0.000 -3.417) 3.427 16.243 ( 12.341 0.000 15.075) 19.482 16.540 ( 10.864 0.000 -13.282) 17.160 16.589 ( 3.849 0.000 2.907) 4.824 16.638 ( 2.343 0.000 -1.895) 3.013 18.309 ( -14.414 0.000 6.503) 15.813 18.485 ( -14.897 0.000 -9.871) 17.871 19.318 ( -4.295 0.000 6.835) 8.072 19.461 ( -7.402 0.000 -6.818) 10.064 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 1.423 0.000 0.273) 1.449 2.039 ( -6.801 0.000 -8.171) 10.631 2.807 ( 1.204 0.000 1.342) 1.802 2.857 ( -3.718 0.000 -2.859) 4.690 3.057 ( 2.501 0.000 4.224) 4.909 3.121 ( -4.716 0.000 -1.959) 5.107 3.245 ( 0.184 0.000 -0.296) 0.349 3.272 ( -2.358 0.000 -2.577) 3.493 3.326 ( 2.218 0.000 -0.131) 2.221 3.334 ( 1.501 0.000 -0.648) 1.635 4.365 ( 9.826 0.000 9.671) 13.787 4.470 ( 3.416 0.000 2.889) 4.474 4.816 ( -0.734 0.000 -0.707) 1.020 4.838 ( -2.813 0.000 -2.600) 3.830 5.120 ( 0.010 0.000 1.496) 1.496 5.360 ( -19.787 0.000 -18.233) 26.907 5.608 ( 1.112 0.000 1.277) 1.693 5.710 ( -8.884 0.000 -8.665) 12.410 6.957 ( 8.611 0.000 6.564) 10.827 7.024 ( 3.841 0.000 0.967) 3.961 7.256 ( 1.419 0.000 1.179) 1.845 7.352 ( -6.245 0.000 -6.414) 8.952 7.457 ( 5.551 0.000 6.095) 8.243 7.502 ( 1.385 0.000 1.967) 2.406 8.167 ( 2.590 0.000 4.031) 4.792 8.212 ( -1.797 0.000 -0.122) 1.801 8.256 ( 1.506 0.000 2.614) 3.016 8.302 ( -2.874 0.000 -1.686) 3.332 9.283 ( 7.323 0.000 6.914) 10.071 9.291 ( 5.153 0.000 3.751) 6.374 9.338 ( 0.558 0.000 -0.741) 0.928 9.402 ( 3.392 0.000 2.304) 4.101 9.417 ( -1.092 0.000 -3.122) 3.307 9.519 ( -2.680 0.000 -5.943) 6.519 10.731 ( 5.699 0.000 9.597) 11.161 10.822 ( -2.286 0.000 3.451) 4.139 11.279 ( 2.235 0.000 8.954) 9.228 11.330 ( -2.091 0.000 3.197) 3.820 11.449 ( 8.361 0.000 0.485) 8.375 11.557 ( 16.721 0.000 10.254) 19.614 11.644 ( -9.605 0.000 -15.072) 17.873 11.763 ( 3.439 0.000 -0.826) 3.537 12.147 ( -3.878 0.000 -5.808) 6.983 12.284 ( 1.926 0.000 -3.286) 3.809 12.304 ( 0.185 0.000 -4.678) 4.682 12.376 ( -19.106 0.000 -20.266) 27.852 15.112 ( 7.741 0.000 13.641) 15.684 15.231 ( -3.845 0.000 3.881) 5.464 15.486 ( 13.153 0.000 10.655) 16.928 15.637 ( 3.096 0.000 0.361) 3.117 15.641 ( -2.013 0.000 -4.202) 4.659 15.695 ( -2.316 0.000 -3.461) 4.164 16.525 ( 13.464 0.000 11.885) 17.959 16.655 ( 2.410 0.000 1.895) 3.066 16.674 ( 0.693 0.000 0.185) 0.718 16.676 ( 0.249 0.000 -1.925) 1.941 18.112 ( -3.141 0.000 -0.855) 3.255 18.207 ( -11.215 0.000 -9.187) 14.498 19.272 ( 0.112 0.000 1.473) 1.478 19.328 ( -5.216 0.000 -3.840) 6.477 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 0.000 -1.407 4.822) 5.023 2.254 ( 0.000 -11.156 5.133) 12.281 2.398 ( 0.000 0.545 15.888) 15.897 2.675 ( 0.000 7.294 -6.854) 10.009 2.923 ( 0.000 5.973 -11.618) 13.064 2.942 ( 0.000 3.357 -6.806) 7.589 3.375 ( 0.000 -8.636 -0.439) 8.647 3.380 ( 0.000 -16.480 -0.837) 16.501 3.574 ( 0.000 -0.392 4.320) 4.338 3.723 ( 0.000 0.985 -6.822) 6.893 3.987 ( 0.000 -7.989 6.555) 10.334 4.169 ( 0.000 -10.682 -9.483) 14.284 5.296 ( 0.000 18.837 5.501) 19.624 5.371 ( 0.000 20.046 -2.677) 20.224 5.929 ( 0.000 2.425 16.874) 17.047 6.048 ( 0.000 6.064 28.872) 29.502 6.191 ( 0.000 2.309 -7.852) 8.185 6.330 ( 0.000 -0.508 8.416) 8.431 6.564 ( 0.000 0.566 -3.393) 3.440 6.845 ( 0.000 3.944 -34.388) 34.613 7.074 ( 0.000 -6.222 1.204) 6.338 7.154 ( 0.000 -6.355 17.599) 18.711 7.161 ( 0.000 -5.966 -7.385) 9.494 7.514 ( 0.000 -4.561 -16.209) 16.839 7.736 ( 0.000 3.762 9.129) 9.874 7.947 ( 0.000 2.516 -10.906) 11.193 8.067 ( 0.000 5.055 1.717) 5.339 8.109 ( 0.000 6.830 -3.136) 7.516 8.604 ( 0.000 -7.709 7.724) 10.913 8.716 ( 0.000 -11.736 -0.900) 11.770 8.771 ( 0.000 -6.555 -2.312) 6.950 8.823 ( 0.000 -7.331 -9.239) 11.794 9.457 ( 0.000 12.581 13.352) 18.346 9.710 ( 0.000 9.257 -10.865) 14.274 10.460 ( 0.000 -1.559 5.429) 5.648 10.563 ( 0.000 -2.900 -4.460) 5.320 10.589 ( 0.000 4.620 0.869) 4.701 10.611 ( 0.000 2.963 -1.158) 3.181 11.382 ( 0.000 -4.722 18.336) 18.934 11.557 ( 0.000 -0.940 17.712) 17.737 11.766 ( 0.000 -3.941 -16.329) 16.798 11.831 ( 0.000 -3.800 -3.907) 5.450 12.143 ( 0.000 1.744 -5.215) 5.499 12.210 ( 0.000 7.854 -12.746) 14.972 13.357 ( 0.000 13.762 25.244) 28.752 13.872 ( 0.000 12.323 0.359) 12.328 14.066 ( 0.000 5.698 6.190) 8.413 14.346 ( 0.000 0.356 27.694) 27.696 14.748 ( 0.000 4.311 -30.497) 30.800 14.972 ( 0.000 1.342 -27.963) 27.996 15.459 ( 0.000 -4.778 14.393) 15.165 15.683 ( 0.000 -4.839 -5.692) 7.471 15.913 ( 0.000 -12.282 7.840) 14.571 16.105 ( 0.000 -8.242 -8.943) 12.162 16.235 ( 0.000 -14.174 6.519) 15.601 16.344 ( 0.000 -15.640 -4.294) 16.219 19.067 ( 0.000 8.502 4.542) 9.639 19.154 ( 0.000 8.756 -3.743) 9.523 19.556 ( 0.000 1.401 11.090) 11.178 19.746 ( 0.000 0.218 -7.419) 7.422 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -3.819 -1.083 7.018) 8.063 2.234 ( 0.625 -3.876 -0.765) 3.999 2.461 ( 5.966 -4.204 15.154) 16.820 2.703 ( 2.023 0.757 -6.243) 6.606 3.001 ( 6.853 6.840 -8.244) 12.716 3.029 ( 7.170 2.931 -6.023) 9.812 3.311 ( -5.275 -13.838 0.173) 14.810 3.336 ( -4.441 -7.920 -2.446) 9.405 3.528 ( -4.261 -0.157 3.141) 5.296 3.649 ( -6.645 -0.002 -5.776) 8.805 3.963 ( -2.128 -8.621 4.978) 10.180 4.112 ( -5.138 -10.898 -8.310) 14.637 5.269 ( -2.721 18.764 5.587) 19.767 5.351 ( -2.091 20.338 -2.991) 20.663 5.887 ( -6.491 3.051 26.098) 27.066 5.930 ( -7.515 2.918 20.359) 21.897 6.230 ( 1.931 2.330 -12.579) 12.937 6.367 ( 1.399 0.712 1.397) 2.102 6.559 ( -1.101 1.165 -5.172) 5.415 6.727 ( -6.340 1.850 -20.244) 21.294 7.068 ( -1.762 -5.284 3.498) 6.577 7.157 ( 3.162 -4.658 8.842) 10.482 7.239 ( 2.441 -4.454 -8.072) 9.537 7.410 ( -2.880 0.304 -9.776) 10.196 7.816 ( 6.911 2.144 9.453) 11.905 8.023 ( 5.799 -0.508 -9.839) 11.432 8.143 ( 5.425 3.717 4.163) 7.783 8.241 ( 8.633 2.696 -5.646) 10.662 8.687 ( 7.854 -4.542 6.070) 10.916 8.766 ( 5.298 -7.977 2.949) 10.020 8.809 ( 4.338 -6.017 -4.830) 8.851 8.904 ( 8.246 -6.011 -8.922) 13.554 9.475 ( 1.646 11.683 12.607) 17.267 9.731 ( 1.394 9.998 -11.791) 15.522 10.459 ( 0.628 -3.102 4.967) 5.890 10.541 ( -1.337 -3.347 -2.860) 4.601 10.650 ( 6.164 3.719 1.679) 7.392 10.685 ( 7.179 1.977 -1.507) 7.597 11.384 ( -0.781 -5.781 17.444) 18.394 11.537 ( -1.862 0.216 16.754) 16.858 11.760 ( -2.216 -6.398 -13.056) 14.707 11.837 ( 1.605 -1.952 -8.680) 9.040 12.156 ( 1.767 2.702 -4.492) 5.532 12.218 ( 0.851 7.861 -10.818) 13.399 13.165 ( -14.282 13.233 23.840) 30.780 13.726 ( -16.402 13.267 -28.833) 35.726 14.243 ( 18.871 3.518 35.159) 40.058 14.451 ( 9.506 1.566 27.476) 29.116 14.947 ( 13.474 1.892 -28.679) 31.743 15.046 ( 8.949 3.377 -26.836) 28.490 15.477 ( 1.689 -5.475 12.517) 13.766 15.668 ( -1.377 -5.322 -4.607) 7.172 15.933 ( 1.957 -10.640 8.531) 13.777 16.121 ( 1.552 -10.228 -7.114) 12.555 16.259 ( 2.437 -12.659 3.466) 13.350 16.349 ( 0.659 -16.407 -4.298) 16.973 18.985 ( -7.784 9.532 5.380) 13.431 19.091 ( -6.113 9.549 -4.711) 12.278 19.520 ( -3.489 1.144 10.822) 11.428 19.708 ( -3.673 0.113 -7.530) 8.379 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -4.015 2.697 7.248) 8.714 2.247 ( -0.019 -0.459 -6.924) 6.939 2.620 ( 9.118 -7.062 10.560) 15.637 2.742 ( 1.686 -5.237 -0.769) 5.555 3.076 ( -3.406 1.526 1.093) 3.889 3.147 ( 1.921 -6.844 0.926) 7.168 3.235 ( -2.954 2.480 -8.634) 9.456 3.257 ( 2.523 -7.496 -6.665) 10.343 3.422 ( -5.537 0.798 1.043) 5.690 3.494 ( -7.981 -1.540 -4.918) 9.500 3.924 ( -1.050 -11.251 2.380) 11.548 4.002 ( -4.378 -12.122 -4.906) 13.791 5.190 ( -4.717 16.858 5.936) 18.485 5.287 ( -4.125 19.925 -3.612) 20.665 5.644 ( -14.544 2.973 26.290) 30.191 5.824 ( -4.978 3.619 16.209) 17.338 6.164 ( -12.779 -0.179 -21.372) 24.902 6.232 ( -10.812 3.536 -22.803) 25.483 6.612 ( 7.735 2.714 7.727) 11.265 6.736 ( 5.699 2.015 -4.000) 7.248 7.063 ( 2.483 -4.153 5.124) 7.048 7.215 ( 3.555 -3.999 -6.397) 8.340 7.315 ( 7.266 2.646 8.797) 11.713 7.482 ( 6.061 1.939 -7.914) 10.155 7.944 ( 4.026 -2.080 8.737) 9.842 8.095 ( 0.680 -5.040 -5.017) 7.144 8.240 ( 3.940 1.649 5.258) 6.775 8.358 ( 3.154 -0.732 -5.691) 6.548 8.855 ( 8.976 -3.736 4.099) 10.551 8.956 ( 9.641 -4.801 -5.231) 11.973 8.972 ( 13.873 2.029 6.634) 15.511 9.122 ( 11.884 -0.550 -7.702) 14.173 9.513 ( 1.928 8.365 8.851) 12.330 9.728 ( -2.270 10.617 -10.879) 15.369 10.494 ( 2.250 -5.107 4.457) 7.142 10.564 ( 4.935 -5.348 -2.752) 7.780 10.839 ( 12.339 1.221 2.963) 12.749 10.887 ( 12.374 -0.674 -1.196) 12.450 11.331 ( -3.812 -6.557 16.107) 17.803 11.490 ( -2.635 2.327 15.124) 15.527 11.678 ( -4.893 -6.141 -9.896) 12.633 11.865 ( -0.211 -0.639 -16.655) 16.669 12.211 ( 2.992 2.807 -2.528) 4.819 12.255 ( 2.955 6.783 -6.440) 9.809 12.876 ( -13.856 14.603 18.537) 27.365 13.356 ( -19.062 14.064 -26.245) 35.355 14.636 ( 16.611 -1.058 26.558) 31.343 14.732 ( 19.299 3.761 28.569) 34.681 15.129 ( 7.419 -0.408 -17.167) 18.706 15.342 ( 15.040 3.679 -25.585) 29.905 15.519 ( 2.174 -5.459 8.929) 10.689 15.643 ( -0.450 -6.866 -2.567) 7.344 15.994 ( 4.210 -7.977 10.227) 13.636 16.172 ( 3.704 -16.573 -4.203) 17.494 16.317 ( 2.630 -13.447 1.075) 13.744 16.400 ( 5.379 -12.111 -7.090) 15.029 18.777 ( -12.213 12.394 6.637) 18.623 18.920 ( -10.596 11.793 -6.956) 17.313 19.426 ( -5.545 0.510 9.651) 11.142 19.604 ( -6.542 -0.134 -7.609) 10.036 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -2.379 5.702 5.769) 8.453 2.211 ( -3.901 2.930 -10.402) 11.490 2.740 ( 0.877 -5.175 3.816) 6.489 2.808 ( 5.400 -7.367 1.030) 9.192 2.961 ( -4.336 -4.728 8.163) 10.382 3.136 ( -1.373 -8.950 4.795) 10.247 3.179 ( -3.227 -2.162 -9.609) 10.364 3.303 ( -4.172 -2.394 -10.430) 11.486 3.347 ( -1.244 1.861 0.292) 2.257 3.376 ( 0.164 2.723 -2.312) 3.576 3.923 ( 1.102 -16.438 2.803) 16.712 3.994 ( 2.987 -17.130 -3.388) 17.715 5.111 ( -2.195 12.586 3.846) 13.343 5.197 ( -4.398 17.653 -3.850) 18.595 5.354 ( -13.152 3.768 18.582) 23.075 5.738 ( -3.296 9.389 10.054) 14.145 5.790 ( -20.364 -0.558 -22.385) 30.267 6.015 ( -11.448 7.656 -16.834) 21.750 6.809 ( 10.843 4.257 7.523) 13.867 6.899 ( 9.457 2.815 -1.804) 10.031 7.153 ( 5.066 -3.393 5.925) 8.502 7.305 ( 3.793 -3.320 -6.531) 8.250 7.477 ( 8.061 7.520 8.255) 13.772 7.593 ( 4.610 5.782 -3.672) 8.257 7.954 ( -2.002 -7.779 6.452) 10.303 8.064 ( -3.497 -9.221 -3.912) 10.609 8.303 ( 2.458 1.222 5.217) 5.895 8.389 ( 0.264 -0.775 -3.001) 3.111 9.065 ( 11.315 -1.707 5.634) 12.755 9.148 ( 8.759 -3.135 -1.521) 9.427 9.249 ( 12.389 6.617 3.961) 14.593 9.318 ( 6.798 3.199 -1.373) 7.637 9.540 ( 0.095 3.573 1.448) 3.856 9.647 ( -4.904 9.175 -7.701) 12.944 10.557 ( 4.130 -5.679 7.227) 10.076 10.690 ( 5.190 -7.925 -4.954) 10.691 11.111 ( 12.398 -3.929 2.628) 13.268 11.137 ( 11.206 -3.838 2.104) 12.030 11.284 ( 0.461 -6.155 10.862) 12.493 11.454 ( 0.553 5.746 15.202) 16.261 11.607 ( -1.167 -5.533 -12.867) 14.055 11.818 ( -3.689 2.737 -16.202) 16.841 12.236 ( -1.760 0.869 0.351) 1.993 12.308 ( 1.115 3.818 -5.728) 6.974 12.639 ( -8.362 19.612 10.221) 23.643 12.985 ( -17.321 17.391 -21.172) 32.415 14.916 ( 12.000 -0.868 18.828) 22.343 15.123 ( 16.340 -2.293 15.688) 22.768 15.262 ( 5.829 1.864 -3.230) 6.920 15.501 ( 1.899 -7.010 1.885) 7.503 15.603 ( 5.103 -0.348 -9.083) 10.424 15.660 ( 1.314 -5.448 -4.274) 7.048 16.113 ( 7.900 -12.693 10.677) 18.372 16.267 ( 5.013 -20.401 -3.836) 21.355 16.383 ( 4.895 -13.597 5.737) 15.548 16.540 ( 7.026 -5.927 -8.925) 12.812 18.533 ( -10.877 16.587 5.467) 20.575 18.686 ( -12.101 15.202 -8.744) 21.307 19.318 ( -4.572 -0.196 6.620) 8.048 19.458 ( -7.528 -0.418 -6.829) 10.173 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 1.562 7.263 0.265) 7.433 2.107 ( -5.391 6.124 -6.820) 10.634 2.759 ( 1.756 -3.936 2.165) 4.823 2.809 ( -2.939 -3.966 -1.898) 5.289 2.985 ( 4.333 -6.796 6.842) 10.573 3.073 ( -4.267 -5.371 4.030) 7.955 3.142 ( -0.354 -6.076 -7.238) 9.456 3.184 ( -4.850 -3.747 -6.522) 8.950 3.377 ( 3.290 1.895 1.690) 4.156 3.412 ( 0.653 3.180 -1.274) 3.487 3.978 ( 3.783 -22.478 4.254) 23.187 4.034 ( -0.539 -23.478 -0.319) 23.486 5.129 ( -1.594 12.754 -1.667) 12.961 5.139 ( 2.337 2.423 -0.810) 3.463 5.171 ( -0.899 13.814 3.810) 14.358 5.401 ( -16.962 3.113 -15.194) 22.984 5.719 ( 1.562 12.889 1.564) 13.077 5.813 ( -7.777 11.710 -7.770) 16.062 7.006 ( 7.566 3.738 5.859) 10.274 7.054 ( 3.813 2.201 1.436) 4.631 7.240 ( 4.206 0.363 2.235) 4.777 7.322 ( -2.436 -0.418 -4.122) 4.806 7.612 ( 4.746 10.511 5.719) 12.873 7.652 ( 0.781 10.031 1.718) 10.207 7.923 ( 0.125 -14.363 2.676) 14.610 7.975 ( -4.467 -13.654 -2.275) 14.545 8.345 ( 1.848 0.901 2.994) 3.633 8.377 ( -1.264 0.201 -0.056) 1.281 9.274 ( 7.957 -0.256 4.437) 9.114 9.298 ( 6.750 0.109 1.873) 7.006 9.359 ( -0.289 2.998 5.836) 6.568 9.457 ( -2.360 4.469 4.612) 6.842 9.482 ( 3.255 4.530 -5.695) 7.971 9.580 ( -2.787 6.335 -7.189) 9.979 10.647 ( 4.399 -7.262 8.130) 11.755 10.718 ( -1.998 -8.784 3.258) 9.580 11.244 ( 2.426 -5.334 3.763) 6.964 11.264 ( 0.227 -6.082 0.424) 6.101 11.380 ( 9.030 -5.438 -1.379) 10.630 11.550 ( -3.672 -4.783 -6.474) 8.847 11.611 ( 9.562 3.254 4.161) 10.925 11.781 ( -1.730 5.693 1.199) 6.070 12.157 ( -1.422 0.793 -4.570) 4.851 12.258 ( -6.434 0.234 -9.084) 11.134 12.581 ( 1.941 23.454 -1.456) 23.579 12.698 ( -10.213 22.840 -12.430) 27.937 15.115 ( 7.813 0.026 12.356) 14.618 15.227 ( -2.848 -0.725 3.039) 4.227 15.452 ( 9.789 -5.165 9.874) 14.832 15.542 ( 1.130 -8.531 2.052) 8.847 15.644 ( -0.098 -4.151 -5.138) 6.606 15.654 ( -1.778 -3.076 -4.310) 5.586 16.273 ( 6.306 -20.737 6.062) 22.506 16.331 ( 0.590 -21.695 0.431) 21.707 16.520 ( 7.634 -6.499 7.074) 12.270 16.617 ( -0.539 -5.358 -1.474) 5.583 18.394 ( -1.872 20.011 -0.640) 20.108 18.468 ( -8.461 18.928 -7.293) 21.979 19.267 ( 0.018 -0.630 1.370) 1.508 19.323 ( -5.282 -0.644 -3.926) 6.612 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 0.000 -4.175 3.781) 5.632 2.114 ( 0.000 -4.218 -1.873) 4.615 2.559 ( 0.000 10.264 14.691) 17.922 2.805 ( 0.000 3.309 -7.873) 8.541 2.830 ( 0.000 -10.777 -1.029) 10.826 2.913 ( 0.000 -14.011 -8.338) 16.304 3.169 ( 0.000 6.338 5.042) 8.098 3.372 ( 0.000 6.896 -11.217) 13.167 3.530 ( 0.000 -3.252 6.620) 7.376 3.701 ( 0.000 -2.433 -4.313) 4.952 3.813 ( 0.000 -7.693 -1.989) 7.945 3.926 ( 0.000 -10.995 -8.417) 13.847 5.738 ( 0.000 19.598 5.905) 20.468 5.808 ( 0.000 17.434 -2.328) 17.588 6.019 ( 0.000 5.391 15.989) 16.873 6.207 ( 0.000 8.074 25.289) 26.546 6.216 ( 0.000 -1.496 5.419) 5.622 6.352 ( 0.000 3.504 -1.022) 3.650 6.594 ( 0.000 2.791 -1.813) 3.328 6.875 ( 0.000 -9.296 8.030) 12.284 6.935 ( 0.000 -4.916 -5.186) 7.146 6.987 ( 0.000 -9.716 -6.133) 11.489 7.022 ( 0.000 1.798 -12.925) 13.050 7.376 ( 0.000 -7.933 -20.573) 22.049 7.864 ( 0.000 8.070 7.556) 11.055 8.029 ( 0.000 4.958 -7.702) 9.160 8.159 ( 0.000 2.696 2.270) 3.524 8.228 ( 0.000 2.515 -5.025) 5.619 8.413 ( 0.000 -14.568 0.480) 14.576 8.416 ( 0.000 -9.250 0.400) 9.259 8.666 ( 0.000 -1.978 -2.416) 3.123 8.694 ( 0.000 -3.591 -4.897) 6.073 9.730 ( 0.000 11.053 11.015) 15.604 9.878 ( 0.000 4.751 -3.159) 5.705 10.437 ( 0.000 -0.173 3.629) 3.633 10.496 ( 0.000 -2.721 -2.053) 3.408 10.665 ( 0.000 2.117 1.212) 2.439 10.695 ( 0.000 4.240 -0.204) 4.245 11.261 ( 0.000 -4.590 10.140) 11.130 11.472 ( 0.000 -8.340 -3.410) 9.011 11.746 ( 0.000 3.581 3.199) 4.802 11.823 ( 0.000 1.538 0.855) 1.760 12.193 ( 0.000 2.736 -5.036) 5.731 12.300 ( 0.000 0.530 -14.697) 14.707 13.778 ( 0.000 23.221 25.566) 34.537 14.106 ( 0.000 5.927 33.843) 34.358 14.325 ( 0.000 19.389 -27.302) 33.486 14.377 ( 0.000 3.714 23.058) 23.356 14.864 ( 0.000 5.168 -26.171) 26.676 15.022 ( 0.000 3.191 -25.758) 25.955 15.289 ( 0.000 -11.142 10.865) 15.562 15.381 ( 0.000 -32.014 7.253) 32.825 15.544 ( 0.000 -7.592 0.190) 7.595 15.751 ( 0.000 -20.153 -14.752) 24.976 16.066 ( 0.000 -2.860 4.737) 5.534 16.118 ( 0.000 -5.354 0.072) 5.354 19.249 ( 0.000 7.118 5.473) 8.979 19.321 ( 0.000 4.970 -0.374) 4.984 19.611 ( 0.000 3.811 5.629) 6.798 19.742 ( 0.000 -0.817 -6.095) 6.150 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 2.959 -2.517 2.667) 4.712 2.159 ( 4.103 -3.336 -2.327) 5.777 2.545 ( -0.855 9.047 13.536) 16.303 2.731 ( -3.987 -0.652 -3.811) 5.554 2.871 ( 1.357 -10.280 -2.155) 10.591 2.924 ( -0.203 -15.401 -5.806) 16.460 3.196 ( 2.562 7.265 2.072) 7.977 3.352 ( -2.868 2.569 -9.297) 10.063 3.505 ( -1.884 -0.339 4.098) 4.523 3.617 ( -7.315 -2.083 -4.267) 8.721 3.786 ( -2.408 -7.658 -0.816) 8.069 3.894 ( -3.219 -8.208 -8.918) 12.540 5.695 ( -5.896 17.604 7.844) 20.154 5.793 ( -2.683 17.215 -1.999) 17.537 5.982 ( -2.964 4.642 15.020) 15.998 6.010 ( -10.851 5.572 25.350) 28.132 6.294 ( 0.239 3.219 -10.683) 11.160 6.386 ( 2.686 0.994 1.070) 3.058 6.585 ( -1.449 0.771 -2.827) 3.269 6.744 ( -7.231 -1.515 -10.229) 12.618 6.959 ( 3.690 -4.814 3.018) 6.775 7.007 ( 5.803 -8.012 13.668) 16.873 7.158 ( 4.733 -1.184 -14.549) 15.345 7.354 ( 0.594 -5.168 -15.037) 15.911 7.892 ( 2.398 4.596 5.892) 7.848 8.008 ( 0.113 -1.011 -4.688) 4.797 8.190 ( 2.128 -0.159 3.449) 4.056 8.277 ( 3.399 -0.566 -5.180) 6.221 8.555 ( 11.879 -6.485 4.677) 14.320 8.637 ( 17.535 -2.751 -0.837) 17.769 8.721 ( 5.021 -1.584 -4.103) 6.675 8.784 ( 11.051 -3.855 -7.934) 14.140 9.747 ( 1.255 11.971 12.032) 17.019 9.925 ( 4.056 6.033 -4.976) 8.810 10.392 ( -3.939 -2.310 4.610) 6.489 10.454 ( -3.340 -4.064 -1.601) 5.499 10.715 ( 4.954 1.071 0.766) 5.126 10.733 ( 4.075 3.208 0.214) 5.191 11.250 ( -1.492 -4.706 8.910) 10.186 11.466 ( -0.833 -8.582 -5.982) 10.494 11.723 ( -2.151 4.319 6.240) 7.888 11.839 ( 1.579 1.143 -0.955) 2.171 12.221 ( 2.770 3.248 -4.749) 6.386 12.316 ( 1.527 1.139 -13.549) 13.682 13.572 ( -13.516 22.782 24.134) 35.835 14.058 ( -16.055 12.640 -17.715) 27.044 14.340 ( 13.641 7.748 24.225) 28.862 14.530 ( 10.859 6.360 21.405) 24.830 14.971 ( 5.936 -1.531 -21.791) 22.637 15.152 ( 12.384 4.455 -23.333) 26.789 15.281 ( 0.319 -11.508 8.698) 14.429 15.428 ( 2.409 -24.538 -1.250) 24.688 15.548 ( 2.816 -9.923 7.946) 13.021 15.806 ( 4.121 -16.157 -12.099) 20.602 16.076 ( 1.441 -4.853 1.832) 5.384 16.106 ( -0.687 -5.357 -0.013) 5.401 19.191 ( -5.560 8.108 5.913) 11.473 19.277 ( -4.293 5.659 -1.284) 7.219 19.566 ( -4.350 3.399 5.702) 7.937 19.701 ( -4.035 -1.061 -6.362) 7.608 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 2.599 2.681 1.876) 4.179 2.250 ( 4.102 0.414 -5.081) 6.543 2.565 ( 3.797 2.947 10.881) 11.895 2.668 ( -2.131 -2.371 -0.186) 3.194 2.873 ( -2.782 -13.735 2.819) 14.294 2.893 ( -0.604 -11.306 -0.670) 11.342 3.224 ( -1.604 -0.599 -6.973) 7.180 3.241 ( -7.334 -4.884 -7.352) 11.475 3.440 ( -4.567 0.662 2.359) 5.183 3.496 ( -3.297 2.929 -3.307) 5.513 3.736 ( -2.064 -5.967 -1.497) 6.489 3.805 ( -5.137 -4.992 -7.513) 10.380 5.495 ( -12.170 9.396 12.597) 19.876 5.637 ( -12.546 4.887 13.364) 18.971 5.759 ( -11.551 12.269 0.640) 16.863 6.012 ( 1.996 11.938 10.088) 15.757 6.159 ( -15.121 1.032 -18.550) 23.955 6.330 ( -2.867 4.690 -15.399) 16.351 6.661 ( 9.564 1.404 9.380) 13.469 6.785 ( 7.545 1.367 -1.861) 7.890 7.028 ( 4.032 1.393 3.491) 5.512 7.138 ( 5.905 -4.028 0.286) 7.153 7.275 ( 9.045 -4.071 2.277) 10.177 7.433 ( 5.672 -6.711 -7.846) 11.780 7.935 ( 1.203 1.215 4.699) 5.001 8.019 ( 0.122 -2.518 -2.815) 3.779 8.240 ( 2.120 -1.156 3.953) 4.632 8.314 ( 0.471 -2.787 -3.285) 4.334 8.795 ( 12.129 -0.976 6.214) 13.663 8.874 ( 10.291 -2.684 -1.227) 10.706 9.032 ( 19.937 3.235 -3.016) 20.422 9.109 ( 18.175 -0.586 -9.266) 20.409 9.752 ( -1.527 12.892 13.132) 18.466 9.975 ( -1.267 10.987 -8.328) 13.845 10.335 ( 0.246 -9.624 6.193) 11.447 10.408 ( -0.330 -8.314 -1.460) 8.448 10.854 ( 8.442 -0.797 1.136) 8.556 10.865 ( 8.861 0.346 0.944) 8.918 11.199 ( -3.097 -3.939 7.011) 8.618 11.436 ( -1.876 -9.150 -11.682) 14.957 11.674 ( -2.320 6.972 10.747) 13.018 11.869 ( 0.948 0.176 -5.831) 5.910 12.288 ( 2.980 3.857 -2.656) 5.551 12.357 ( 2.184 2.221 -9.599) 10.092 13.329 ( -9.952 25.862 18.429) 33.279 13.734 ( -15.290 18.553 -19.069) 30.686 14.578 ( 10.526 -5.654 17.761) 21.406 14.774 ( 10.217 -2.660 12.257) 16.177 15.133 ( 11.227 -0.004 -3.588) 11.786 15.255 ( 0.826 -12.411 7.155) 14.349 15.408 ( 0.415 -11.861 -6.966) 13.761 15.447 ( 7.776 -2.579 -8.814) 12.033 15.729 ( 13.164 -8.726 4.094) 16.316 15.857 ( 1.068 -8.929 -1.582) 9.131 16.083 ( 0.540 -6.158 3.124) 6.926 16.192 ( 8.717 -8.333 -9.775) 15.523 19.044 ( -8.437 10.691 6.339) 15.022 19.159 ( -7.120 7.951 -3.801) 11.330 19.447 ( -7.135 1.942 5.835) 9.419 19.587 ( -7.106 -1.706 -6.859) 10.023 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 1.397 8.461 2.302) 8.879 2.304 ( 0.949 5.193 -6.841) 8.641 2.644 ( -0.056 -3.530 3.079) 4.684 2.681 ( 5.914 -3.146 2.218) 7.057 2.792 ( -3.691 -9.214 9.820) 13.962 2.907 ( 1.357 -10.506 5.397) 11.889 3.091 ( -6.701 -6.147 -9.221) 12.951 3.155 ( -3.799 -9.430 -10.621) 14.703 3.379 ( -2.043 1.396 1.129) 2.720 3.433 ( -2.293 1.053 -3.303) 4.157 3.690 ( -3.727 -4.901 -1.315) 6.296 3.719 ( -2.681 -6.819 -4.095) 8.394 5.276 ( -8.445 4.497 10.066) 13.887 5.390 ( -9.876 0.044 13.918) 17.066 5.517 ( -12.264 9.866 -10.940) 19.169 5.757 ( -19.010 -2.655 -19.603) 27.435 6.105 ( 3.344 21.748 8.215) 23.487 6.286 ( -2.380 15.952 -10.105) 19.033 6.874 ( 10.385 0.268 6.638) 12.328 6.947 ( 7.363 -1.341 -0.651) 7.512 7.142 ( 7.387 3.517 5.394) 9.800 7.259 ( 5.815 -1.363 -4.091) 7.239 7.468 ( 8.613 -6.873 5.431) 12.285 7.547 ( 5.221 -9.704 -1.522) 11.124 7.924 ( -2.155 4.480 4.436) 6.662 7.996 ( -2.411 2.039 -2.241) 3.872 8.267 ( 0.743 -3.334 2.951) 4.514 8.310 ( -0.639 -5.262 -1.354) 5.470 9.048 ( 12.756 0.136 5.454) 13.874 9.093 ( 10.867 -1.770 0.856) 11.043 9.381 ( 12.033 4.171 -1.639) 12.840 9.421 ( 12.590 4.907 -5.293) 14.512 9.682 ( -4.741 11.161 11.170) 16.487 9.876 ( -6.337 11.241 -7.219) 14.786 10.386 ( 2.971 -10.166 4.529) 11.519 10.443 ( 2.611 -14.221 -0.685) 14.475 11.020 ( 6.939 -3.388 1.940) 7.962 11.057 ( 9.060 -2.216 1.085) 9.390 11.159 ( -0.062 -3.749 2.746) 4.648 11.409 ( -0.766 -10.097 -16.299) 19.188 11.659 ( 2.158 9.955 12.629) 16.225 11.885 ( 1.681 1.552 -8.334) 8.642 12.293 ( -3.510 3.859 2.114) 5.629 12.373 ( -1.643 1.708 -6.203) 6.640 13.200 ( -2.363 31.035 9.386) 32.509 13.469 ( -10.657 25.873 -15.318) 31.900 14.776 ( 9.007 -18.093 10.322) 22.694 14.908 ( 4.173 -20.829 0.396) 21.247 15.244 ( 0.872 -6.870 6.009) 9.169 15.339 ( 0.753 0.558 -0.678) 1.157 15.437 ( 6.826 -9.730 5.593) 13.135 15.548 ( 0.560 -5.796 -2.759) 6.444 15.878 ( 5.000 -3.446 7.114) 9.353 16.015 ( 11.158 -1.465 -5.778) 12.650 16.160 ( 7.820 -7.151 9.774) 14.416 16.378 ( 8.080 -8.664 -10.114) 15.577 18.883 ( -6.727 13.981 4.744) 16.224 19.006 ( -7.749 12.109 -6.560) 15.802 19.304 ( -6.290 -0.874 5.064) 8.122 19.429 ( -8.137 -2.583 -6.636) 10.813 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 2.136 11.218 0.960) 11.460 2.287 ( -2.149 9.882 -3.199) 10.606 2.662 ( 1.715 -4.772 3.299) 6.050 2.702 ( -2.223 -6.162 1.625) 6.749 2.826 ( 5.489 -5.788 4.281) 9.053 2.910 ( -1.923 -7.496 4.928) 9.175 3.002 ( -1.355 -8.058 -7.873) 11.347 3.059 ( -5.608 -8.343 -7.762) 12.700 3.396 ( 4.213 0.236 1.299) 4.415 3.444 ( 1.862 -0.362 -2.997) 3.547 3.608 ( -2.928 -9.623 1.561) 10.178 3.649 ( -4.674 -10.654 -1.963) 11.799 5.192 ( 0.689 2.878 1.027) 3.132 5.291 ( -1.378 1.159 -0.513) 1.872 5.298 ( -6.731 3.591 -6.119) 9.780 5.428 ( -12.394 -0.931 -11.032) 16.619 6.170 ( 3.091 25.222 2.814) 25.566 6.231 ( -2.991 23.912 -3.410) 24.338 7.031 ( 4.563 -4.668 4.028) 7.670 7.052 ( 2.483 -5.376 1.778) 6.182 7.295 ( 6.679 4.595 3.109) 8.683 7.351 ( 2.049 2.849 -1.732) 3.913 7.576 ( 2.799 -10.664 3.842) 11.676 7.616 ( 0.320 -12.105 0.456) 12.117 7.890 ( 0.297 10.506 4.002) 11.246 7.935 ( -3.189 8.192 -0.338) 8.798 8.278 ( 0.540 -6.084 1.683) 6.336 8.293 ( -0.918 -7.013 0.154) 7.074 9.282 ( 9.574 0.939 4.553) 10.643 9.305 ( 10.652 0.327 2.786) 11.015 9.434 ( -4.372 3.355 5.763) 7.974 9.504 ( -7.171 0.529 1.070) 7.269 9.694 ( 7.107 14.498 -0.129) 16.146 9.790 ( -2.762 12.606 -6.758) 14.568 10.433 ( 1.799 -12.389 4.637) 13.350 10.461 ( -0.790 -14.867 2.593) 15.112 11.117 ( 3.003 -3.990 0.354) 5.006 11.149 ( 0.065 -2.588 -3.281) 4.179 11.234 ( 6.856 -7.141 -2.237) 10.149 11.361 ( -4.835 -9.684 -12.531) 16.559 11.803 ( 11.175 10.404 9.964) 18.232 11.954 ( 1.870 7.350 -2.282) 7.920 12.169 ( -4.591 0.490 1.913) 4.998 12.266 ( -8.389 -0.443 -5.805) 10.211 13.220 ( 3.386 34.857 -0.450) 35.023 13.310 ( -5.622 33.206 -8.650) 34.772 14.921 ( 4.842 -30.223 3.160) 30.771 14.959 ( 0.731 -31.686 -0.319) 31.696 15.270 ( 1.985 -3.298 6.192) 7.291 15.316 ( -2.025 0.174 2.965) 3.595 15.501 ( 0.301 -7.689 0.880) 7.745 15.521 ( -1.792 -6.395 -1.490) 6.807 16.040 ( 8.578 1.027 7.971) 11.754 16.133 ( 0.326 2.387 -0.731) 2.517 16.356 ( 9.263 -8.565 8.445) 15.181 16.463 ( -0.503 -8.462 -1.572) 8.621 18.806 ( -0.398 16.469 -0.156) 16.475 18.865 ( -5.697 16.035 -5.578) 17.908 19.229 ( -0.593 -3.344 1.016) 3.545 19.284 ( -5.654 -3.447 -4.169) 7.824 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 0.000 -1.506 0.734) 1.676 2.063 ( 0.000 1.506 0.734) 1.676 2.669 ( 0.000 -3.469 -0.966) 3.601 2.669 ( 0.000 3.469 -0.966) 3.601 2.792 ( 0.000 -5.503 0.580) 5.533 2.792 ( 0.000 5.503 0.580) 5.533 3.357 ( 0.000 -8.075 2.820) 8.553 3.357 ( 0.000 8.075 2.820) 8.553 3.603 ( 0.000 -8.207 -8.842) 12.064 3.603 ( 0.000 8.207 -8.842) 12.064 3.742 ( 0.000 -4.277 -3.564) 5.567 3.742 ( 0.000 4.277 -3.564) 5.567 6.003 ( 0.000 -1.606 -0.767) 1.780 6.003 ( 0.000 1.606 -0.767) 1.780 6.138 ( 0.000 -5.025 13.878) 14.760 6.138 ( 0.000 5.025 13.878) 14.760 6.374 ( 0.000 -5.634 10.999) 12.358 6.374 ( 0.000 5.634 10.999) 12.358 6.698 ( 0.000 -5.591 7.986) 9.748 6.698 ( 0.000 5.591 7.986) 9.748 6.813 ( 0.000 -1.527 -0.391) 1.576 6.813 ( 0.000 1.527 -0.391) 1.576 7.185 ( 0.000 -9.211 -25.741) 27.340 7.185 ( 0.000 9.211 -25.741) 27.340 8.072 ( 0.000 -9.044 4.190) 9.967 8.072 ( 0.000 9.044 4.190) 9.967 8.174 ( 0.000 -0.909 -1.841) 2.053 8.174 ( 0.000 0.909 -1.841) 2.053 8.264 ( 0.000 -2.215 -4.791) 5.278 8.264 ( 0.000 2.215 -4.791) 5.278 8.661 ( 0.000 -0.519 -2.673) 2.723 8.661 ( 0.000 0.519 -2.673) 2.723 9.891 ( 0.000 -3.468 4.928) 6.026 9.891 ( 0.000 3.468 4.928) 6.026 10.453 ( 0.000 -1.413 0.884) 1.667 10.453 ( 0.000 1.413 0.884) 1.667 10.718 ( 0.000 -2.157 4.342) 4.849 10.718 ( 0.000 2.157 4.342) 4.849 11.280 ( 0.000 -6.821 -4.702) 8.285 11.280 ( 0.000 6.821 -4.702) 8.285 11.829 ( 0.000 -2.048 6.605) 6.915 11.829 ( 0.000 2.048 6.605) 6.915 12.260 ( 0.000 -3.232 -10.286) 10.782 12.260 ( 0.000 3.232 -10.286) 10.782 14.135 ( 0.000 -4.984 25.168) 25.657 14.135 ( 0.000 4.984 25.168) 25.657 14.672 ( 0.000 -23.662 19.083) 30.398 14.672 ( 0.000 23.662 19.083) 30.398 14.784 ( 0.000 -14.140 -18.453) 23.248 14.784 ( 0.000 14.140 -18.453) 23.248 15.097 ( 0.000 -2.736 -19.157) 19.352 15.097 ( 0.000 2.736 -19.157) 19.352 15.465 ( 0.000 -3.693 -3.883) 5.359 15.465 ( 0.000 3.693 -3.883) 5.359 16.051 ( 0.000 -1.188 2.271) 2.563 16.051 ( 0.000 1.188 2.271) 2.563 19.350 ( 0.000 -1.970 4.636) 5.038 19.350 ( 0.000 1.970 4.636) 5.038 19.698 ( 0.000 -3.383 -2.246) 4.061 19.698 ( 0.000 3.383 -2.246) 4.061 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 4.765 -1.723 0.670) 5.111 2.113 ( 4.765 1.723 0.670) 5.111 2.663 ( -0.534 -3.584 -1.239) 3.829 2.663 ( -0.534 3.584 -1.239) 3.829 2.764 ( -2.603 -6.353 2.020) 7.156 2.764 ( -2.603 6.353 2.020) 7.156 3.323 ( -4.231 -3.623 -2.326) 6.036 3.323 ( -4.231 3.623 -2.326) 6.036 3.550 ( -3.644 -3.932 -1.132) 5.480 3.550 ( -3.644 3.932 -1.132) 5.480 3.749 ( -0.121 -4.991 -7.012) 8.608 3.749 ( -0.121 4.991 -7.012) 8.608 5.922 ( -11.417 -3.449 12.623) 17.366 5.922 ( -11.417 3.449 12.623) 17.366 6.105 ( 0.155 -2.331 5.301) 5.792 6.105 ( 0.155 2.331 5.301) 5.792 6.372 ( -1.432 -3.801 -5.332) 6.703 6.372 ( -1.432 3.801 -5.332) 6.703 6.632 ( -2.793 -6.196 5.716) 8.880 6.632 ( -2.793 6.196 5.716) 8.880 6.901 ( 7.969 -1.568 7.005) 10.726 6.901 ( 7.969 1.568 7.005) 10.726 7.221 ( 2.425 -5.957 -19.603) 20.631 7.221 ( 2.425 5.957 -19.603) 20.631 7.978 ( -3.274 -2.327 0.446) 4.042 7.978 ( -3.274 2.327 0.446) 4.042 8.202 ( 3.255 -3.491 0.320) 4.784 8.202 ( 3.255 3.491 0.320) 4.784 8.548 ( 17.826 -4.167 1.621) 18.378 8.548 ( 17.826 4.167 1.621) 18.378 8.736 ( 9.302 -1.604 -7.098) 11.810 8.736 ( 9.302 1.604 -7.098) 11.810 9.940 ( 4.469 -4.795 5.578) 8.607 9.940 ( 4.469 4.795 5.578) 8.607 10.386 ( -6.378 -1.825 1.291) 6.759 10.386 ( -6.378 1.825 1.291) 6.759 10.749 ( 3.367 -1.599 3.566) 5.158 10.749 ( 3.367 1.599 3.566) 5.158 11.270 ( -1.118 -6.893 -6.027) 9.224 11.270 ( -1.118 6.893 -6.027) 9.224 11.827 ( -0.148 -3.138 6.577) 7.289 11.827 ( -0.148 3.138 6.577) 7.289 12.290 ( 2.791 -2.804 -9.385) 10.185 12.290 ( 2.791 2.804 -9.385) 10.185 14.021 ( -8.823 -14.507 18.102) 24.819 14.021 ( -8.823 14.507 18.102) 24.819 14.679 ( -7.035 -11.922 -14.235) 19.856 14.679 ( -7.035 11.922 -14.235) 19.856 14.830 ( 13.051 -13.402 20.787) 27.965 14.830 ( 13.051 13.402 20.787) 27.965 15.220 ( 7.527 -1.780 -11.484) 13.845 15.220 ( 7.527 1.780 -11.484) 13.845 15.529 ( 7.195 -8.016 -9.696) 14.492 15.529 ( 7.195 8.016 -9.696) 14.492 16.039 ( -0.828 -0.879 1.827) 2.190 16.039 ( -0.828 0.879 1.827) 2.190 19.308 ( -3.999 -2.399 4.637) 6.576 19.308 ( -3.999 2.399 4.637) 6.576 19.651 ( -4.566 -3.574 -2.611) 6.359 19.651 ( -4.566 3.574 -2.611) 6.359 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 6.693 -2.491 -0.148) 7.143 2.235 ( 6.693 2.491 -0.148) 7.143 2.647 ( -1.223 -3.123 -2.095) 3.955 2.647 ( -1.223 3.123 -2.095) 3.955 2.713 ( -1.435 -6.621 7.069) 9.791 2.713 ( -1.435 6.621 7.069) 9.791 3.179 ( -9.040 -1.453 -8.791) 12.693 3.179 ( -9.040 1.453 -8.791) 12.693 3.488 ( -3.049 -3.007 3.519) 5.543 3.488 ( -3.049 3.007 3.519) 5.543 3.724 ( -2.380 -3.149 -7.774) 8.719 3.724 ( -2.380 3.149 -7.774) 8.719 5.623 ( -15.772 -3.383 17.973) 24.151 5.623 ( -15.772 3.383 17.973) 24.151 6.008 ( -13.681 -7.897 -14.279) 21.294 6.008 ( -13.681 7.897 -14.279) 21.294 6.346 ( 4.231 -6.329 -3.215) 8.264 6.346 ( 4.231 6.329 -3.215) 8.264 6.722 ( 8.348 -5.566 9.393) 13.744 6.722 ( 8.348 5.566 9.393) 13.744 7.075 ( 8.598 -1.144 3.697) 9.429 7.075 ( 8.598 1.144 3.697) 9.429 7.272 ( 3.386 -5.072 -8.848) 10.746 7.272 ( 3.386 5.072 -8.848) 10.746 7.968 ( 1.414 -1.873 0.402) 2.381 7.968 ( 1.414 1.873 0.402) 2.381 8.251 ( 0.826 -2.430 0.681) 2.656 8.251 ( 0.826 2.431 0.681) 2.656 8.819 ( 11.703 -2.448 5.106) 13.001 8.819 ( 11.703 2.448 5.106) 13.001 9.089 ( 21.321 -1.659 -9.346) 23.339 9.089 ( 21.321 1.659 -9.346) 23.339 10.037 ( 3.476 -11.649 8.925) 15.081 10.037 ( 3.476 11.649 8.925) 15.081 10.231 ( -7.273 -7.104 -1.543) 10.283 10.231 ( -7.273 7.104 -1.543) 10.283 10.856 ( 7.069 -1.156 3.577) 8.006 10.856 ( 7.069 1.156 3.577) 8.006 11.235 ( -2.068 -7.210 -8.497) 11.334 11.235 ( -2.068 7.210 -8.497) 11.334 11.823 ( -0.185 -5.019 4.800) 6.948 11.823 ( -0.185 5.019 4.800) 6.948 12.356 ( 3.072 -1.981 -6.217) 7.212 12.356 ( 3.072 1.981 -6.217) 7.212 13.860 ( -5.875 -16.034 9.259) 19.425 13.860 ( -5.875 16.034 9.259) 19.425 14.544 ( -6.536 -11.457 -9.405) 16.200 14.544 ( -6.536 11.457 -9.405) 16.200 15.103 ( 11.710 -2.871 17.500) 21.251 15.103 ( 11.710 2.871 17.500) 21.251 15.336 ( 5.439 -5.597 -0.428) 7.816 15.336 ( 5.439 5.597 -0.428) 7.816 15.730 ( 10.417 -4.004 -8.186) 13.840 15.730 ( 10.417 4.004 -8.186) 13.840 16.053 ( 3.647 -3.337 -2.777) 5.670 16.053 ( 3.647 3.337 -2.777) 5.670 19.203 ( -5.886 -3.480 4.246) 8.049 19.203 ( -5.886 3.480 4.246) 8.049 19.522 ( -8.072 -4.110 -3.491) 9.708 19.522 ( -8.072 4.110 -3.491) 9.708 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 5.274 -3.217 -1.338) 6.321 2.357 ( 5.274 3.217 -1.338) 6.321 2.615 ( -1.791 -3.175 1.072) 3.800 2.615 ( -1.791 3.175 1.072) 3.800 2.728 ( 2.290 -5.462 9.903) 11.539 2.728 ( 2.290 5.462 9.903) 11.539 3.014 ( -6.359 -1.997 -11.838) 13.585 3.014 ( -6.359 1.997 -11.838) 13.585 3.415 ( -3.536 -1.841 0.826) 4.071 3.415 ( -3.536 1.841 0.826) 4.071 3.656 ( -4.438 -0.799 -4.603) 6.444 3.656 ( -4.438 0.799 -4.603) 6.444 5.353 ( -9.974 -2.835 12.582) 16.304 5.353 ( -9.974 2.835 12.582) 16.304 5.673 ( -17.094 -5.170 -16.989) 24.649 5.673 ( -17.094 5.170 -16.989) 24.649 6.491 ( 8.557 -6.372 0.990) 10.714 6.491 ( 8.557 6.372 0.990) 10.714 6.838 ( 1.721 -2.498 3.900) 4.941 6.838 ( 1.721 2.498 3.900) 4.941 7.240 ( 8.256 -2.720 1.200) 8.775 7.240 ( 8.256 2.720 1.200) 8.775 7.376 ( 6.109 -1.922 0.060) 6.404 7.376 ( 6.109 1.922 0.060) 6.404 8.008 ( 2.327 -1.994 0.972) 3.215 8.008 ( 2.327 1.994 0.972) 3.215 8.230 ( -2.705 -1.003 0.783) 2.989 8.230 ( -2.705 1.003 0.783) 2.989 9.064 ( 12.376 -1.092 4.336) 13.159 9.064 ( 12.376 1.092 4.336) 13.159 9.449 ( 11.979 -1.662 -4.285) 12.830 9.449 ( 11.979 1.662 -4.285) 12.830 9.995 ( -4.067 -12.008 6.247) 14.133 9.995 ( -4.067 12.008 6.247) 14.133 10.191 ( 0.857 -5.733 -1.203) 5.920 10.191 ( 0.857 5.733 -1.203) 5.920 11.004 ( 6.671 -1.854 4.086) 8.039 11.004 ( 6.671 1.854 4.086) 8.039 11.205 ( -0.619 -7.310 -11.293) 13.467 11.205 ( -0.619 7.310 -11.293) 13.467 11.841 ( 3.081 -5.741 2.827) 7.102 11.841 ( 3.081 5.741 2.827) 7.102 12.368 ( -3.069 -2.246 -2.176) 4.382 12.368 ( -3.069 2.246 -2.176) 4.382 13.829 ( 3.360 -13.622 2.826) 14.312 13.829 ( 3.360 13.622 2.826) 14.312 14.401 ( -8.048 -9.696 -5.867) 13.900 14.401 ( -8.048 9.696 -5.867) 13.900 15.250 ( 4.267 -4.895 7.325) 9.789 15.250 ( 4.267 4.895 7.325) 9.789 15.435 ( 1.968 -4.392 2.495) 5.421 15.435 ( 1.968 4.392 2.495) 5.421 15.930 ( 11.255 -6.028 8.333) 15.246 15.930 ( 11.255 6.028 8.333) 15.246 16.190 ( 7.704 -7.783 -8.241) 13.705 16.190 ( 7.704 7.783 -8.241) 13.705 19.097 ( -3.975 -4.727 2.541) 6.678 19.097 ( -3.975 4.727 2.541) 6.678 19.341 ( -9.454 -4.838 -4.189) 11.416 19.341 ( -9.454 4.838 -4.189) 11.416 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 5.070 -2.850 1.321) 5.964 2.458 ( 5.070 2.850 1.321) 5.964 2.557 ( -4.322 -1.777 4.612) 6.566 2.557 ( -4.322 1.777 4.612) 6.566 2.793 ( 4.743 -2.793 0.588) 5.536 2.793 ( 4.743 2.793 0.588) 5.536 2.908 ( -5.625 -2.650 -7.386) 9.655 2.908 ( -5.625 2.650 -7.386) 9.655 3.410 ( 4.111 -1.491 -0.729) 4.434 3.410 ( 4.111 1.491 -0.729) 4.434 3.539 ( -7.040 -1.105 -1.271) 7.239 3.539 ( -7.040 1.105 -1.271) 7.239 5.256 ( 0.709 -2.739 1.309) 3.118 5.256 ( 0.709 2.739 1.309) 3.118 5.380 ( -11.154 -3.186 -10.232) 15.468 5.380 ( -11.154 3.186 -10.232) 15.467 6.661 ( 7.944 -6.491 1.451) 10.360 6.661 ( 7.944 6.491 1.451) 10.360 6.796 ( -5.084 -5.311 1.445) 7.493 6.796 ( -5.084 5.311 1.445) 7.493 7.396 ( 6.275 -2.929 2.127) 7.244 7.396 ( 6.275 2.929 2.127) 7.244 7.456 ( 0.746 -2.801 1.778) 3.400 7.456 ( 0.746 2.801 1.778) 3.400 8.067 ( 3.732 -1.862 1.295) 4.367 8.067 ( 3.732 1.862 1.295) 4.367 8.154 ( -4.524 -0.597 1.070) 4.687 8.154 ( -4.524 0.597 1.070) 4.687 9.303 ( 11.143 -0.644 4.224) 11.934 9.303 ( 11.143 0.644 4.224) 11.934 9.491 ( -6.307 -1.711 2.958) 7.173 9.491 ( -6.307 1.711 2.958) 7.173 10.032 ( 6.701 -6.638 -0.124) 9.433 10.032 ( 6.701 6.638 -0.124) 9.433 10.159 ( -4.497 -3.410 0.057) 5.644 10.159 ( -4.497 3.410 0.057) 5.644 11.111 ( 4.453 -3.309 -1.153) 5.667 11.111 ( 4.453 3.309 -1.153) 5.667 11.185 ( -2.354 -5.618 -8.090) 10.127 11.185 ( -2.354 5.618 -8.090) 10.127 11.983 ( 10.830 -4.946 1.698) 12.027 11.983 ( 10.830 4.946 1.698) 12.027 12.220 ( -10.995 -3.603 0.430) 11.578 12.220 ( -10.995 3.603 0.430) 11.578 13.983 ( 10.803 -10.654 -1.158) 15.217 13.983 ( 10.803 10.654 -1.158) 15.217 14.211 ( -10.915 -9.249 -3.501) 14.729 14.211 ( -10.915 9.249 -3.501) 14.729 15.327 ( 3.890 -4.051 3.788) 6.775 15.327 ( 3.890 4.051 3.788) 6.775 15.406 ( -3.556 -2.965 2.252) 5.149 15.406 ( -3.556 2.965 2.252) 5.149 16.163 ( 9.987 -7.987 7.984) 15.075 16.163 ( 9.987 7.987 7.984) 15.075 16.275 ( -0.465 -8.144 -1.101) 8.231 16.275 ( -0.465 8.144 -1.101) 8.231 19.070 ( 1.709 -5.514 -0.705) 5.816 19.070 ( 1.709 5.514 -0.705) 5.816 19.166 ( -7.391 -5.459 -3.501) 9.833 19.166 ( -7.391 5.459 -3.501) 9.833 =================== 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 3/29160 10.0 1426.233 829.146 1536.625 0.000 0.000 0.000 3/29160 20.0 407.372 462.116 411.383 0.000 0.000 0.000 3/29160 30.0 157.876 211.454 182.976 0.000 0.000 -0.000 3/29160 40.0 91.300 130.143 111.282 0.000 0.000 -0.000 3/29160 50.0 60.382 88.548 75.304 0.000 0.000 -0.000 3/29160 60.0 43.020 63.736 54.161 0.000 0.000 -0.000 3/29160 70.0 32.414 48.030 40.883 0.000 0.000 -0.000 3/29160 80.0 25.536 37.647 32.132 0.000 0.000 -0.000 3/29160 90.0 20.844 30.500 26.110 0.000 0.000 -0.000 3/29160 100.0 17.502 25.396 21.805 0.000 0.000 -0.000 3/29160 110.0 15.032 21.629 18.624 0.000 0.000 -0.000 3/29160 120.0 13.150 18.769 16.204 0.000 0.000 -0.000 3/29160 130.0 11.677 16.542 14.316 0.000 0.000 -0.000 3/29160 140.0 10.498 14.770 12.812 0.000 0.000 -0.000 3/29160 150.0 9.536 13.334 11.590 0.000 0.000 -0.000 3/29160 160.0 8.738 12.149 10.582 0.000 0.000 -0.000 3/29160 170.0 8.066 11.159 9.736 0.000 0.000 -0.000 3/29160 180.0 7.493 10.319 9.019 0.000 0.000 -0.000 3/29160 190.0 6.999 9.600 8.403 0.000 0.000 -0.000 3/29160 200.0 6.569 8.976 7.868 0.000 0.000 -0.000 3/29160 210.0 6.190 8.431 7.400 0.000 0.000 -0.000 3/29160 220.0 5.855 7.951 6.987 0.000 0.000 -0.000 3/29160 230.0 5.556 7.524 6.620 0.000 0.000 -0.000 3/29160 240.0 5.287 7.143 6.291 0.000 0.000 -0.000 3/29160 250.0 5.045 6.800 5.994 0.000 0.000 -0.000 3/29160 260.0 4.824 6.490 5.726 0.000 0.000 -0.000 3/29160 270.0 4.623 6.208 5.482 0.000 0.000 -0.000 3/29160 280.0 4.439 5.951 5.258 0.000 0.000 -0.000 3/29160 290.0 4.270 5.715 5.053 0.000 0.000 -0.000 3/29160 300.0 4.113 5.498 4.865 0.000 0.000 -0.000 3/29160 310.0 3.968 5.297 4.690 0.000 0.000 -0.000 3/29160 320.0 3.833 5.111 4.528 0.000 0.000 -0.000 3/29160 330.0 3.708 4.939 4.377 0.000 0.000 -0.000 3/29160 340.0 3.591 4.778 4.236 0.000 0.000 -0.000 3/29160 350.0 3.481 4.627 4.105 0.000 0.000 -0.000 3/29160 360.0 3.378 4.486 3.981 0.000 0.000 -0.000 3/29160 370.0 3.281 4.354 3.865 0.000 0.000 -0.000 3/29160 380.0 3.189 4.229 3.756 0.000 0.000 -0.000 3/29160 390.0 3.103 4.112 3.653 0.000 0.000 -0.000 3/29160 400.0 3.021 4.001 3.556 0.000 0.000 -0.000 3/29160 410.0 2.944 3.897 3.464 0.000 0.000 -0.000 3/29160 420.0 2.871 3.797 3.377 0.000 0.000 -0.000 3/29160 430.0 2.801 3.703 3.294 0.000 0.000 -0.000 3/29160 440.0 2.735 3.614 3.215 0.000 0.000 -0.000 3/29160 450.0 2.671 3.529 3.140 0.000 0.000 -0.000 3/29160 460.0 2.611 3.448 3.068 0.000 0.000 -0.000 3/29160 470.0 2.553 3.370 3.000 0.000 0.000 -0.000 3/29160 480.0 2.498 3.296 2.935 0.000 0.000 -0.000 3/29160 490.0 2.446 3.226 2.872 0.000 0.000 -0.000 3/29160 500.0 2.395 3.158 2.813 0.000 0.000 -0.000 3/29160 510.0 2.347 3.093 2.755 0.000 0.000 -0.000 3/29160 520.0 2.301 3.031 2.701 0.000 0.000 -0.000 3/29160 530.0 2.256 2.972 2.648 0.000 0.000 -0.000 3/29160 540.0 2.213 2.914 2.597 0.000 0.000 -0.000 3/29160 550.0 2.172 2.859 2.548 0.000 0.000 -0.000 3/29160 560.0 2.132 2.806 2.502 0.000 0.000 -0.000 3/29160 570.0 2.094 2.755 2.456 0.000 0.000 -0.000 3/29160 580.0 2.057 2.706 2.413 0.000 0.000 -0.000 3/29160 590.0 2.021 2.659 2.371 0.000 0.000 -0.000 3/29160 600.0 1.987 2.613 2.330 0.000 0.000 -0.000 3/29160 610.0 1.954 2.569 2.291 0.000 0.000 -0.000 3/29160 620.0 1.922 2.526 2.253 0.000 0.000 -0.000 3/29160 630.0 1.891 2.485 2.217 0.000 0.000 -0.000 3/29160 640.0 1.860 2.445 2.181 0.000 0.000 -0.000 3/29160 650.0 1.831 2.406 2.147 0.000 0.000 -0.000 3/29160 660.0 1.803 2.369 2.114 0.000 0.000 -0.000 3/29160 670.0 1.776 2.333 2.081 0.000 0.000 -0.000 3/29160 680.0 1.749 2.297 2.050 0.000 0.000 -0.000 3/29160 690.0 1.724 2.263 2.020 0.000 0.000 -0.000 3/29160 700.0 1.699 2.230 1.991 0.000 0.000 -0.000 3/29160 710.0 1.674 2.198 1.962 0.000 0.000 -0.000 3/29160 720.0 1.651 2.167 1.934 0.000 0.000 -0.000 3/29160 730.0 1.628 2.137 1.907 0.000 0.000 -0.000 3/29160 740.0 1.606 2.107 1.881 0.000 0.000 -0.000 3/29160 750.0 1.584 2.079 1.856 0.000 0.000 -0.000 3/29160 760.0 1.563 2.051 1.831 0.000 0.000 -0.000 3/29160 770.0 1.542 2.024 1.807 0.000 0.000 -0.000 3/29160 780.0 1.522 1.997 1.783 0.000 0.000 -0.000 3/29160 790.0 1.503 1.971 1.760 0.000 0.000 -0.000 3/29160 800.0 1.484 1.946 1.738 0.000 0.000 -0.000 3/29160 810.0 1.465 1.922 1.716 0.000 0.000 -0.000 3/29160 820.0 1.447 1.898 1.695 0.000 0.000 -0.000 3/29160 830.0 1.430 1.875 1.674 0.000 0.000 -0.000 3/29160 840.0 1.413 1.852 1.654 0.000 0.000 -0.000 3/29160 850.0 1.396 1.830 1.635 0.000 0.000 -0.000 3/29160 860.0 1.379 1.809 1.615 0.000 0.000 -0.000 3/29160 870.0 1.363 1.787 1.597 0.000 0.000 -0.000 3/29160 880.0 1.348 1.767 1.578 0.000 0.000 -0.000 3/29160 890.0 1.332 1.747 1.560 0.000 0.000 -0.000 3/29160 900.0 1.318 1.727 1.543 0.000 0.000 -0.000 3/29160 910.0 1.303 1.708 1.526 0.000 0.000 -0.000 3/29160 920.0 1.289 1.689 1.509 0.000 0.000 -0.000 3/29160 930.0 1.275 1.671 1.492 0.000 0.000 -0.000 3/29160 940.0 1.261 1.653 1.476 0.000 0.000 -0.000 3/29160 950.0 1.248 1.635 1.461 0.000 0.000 -0.000 3/29160 960.0 1.235 1.618 1.445 0.000 0.000 -0.000 3/29160 970.0 1.222 1.601 1.430 0.000 0.000 -0.000 3/29160 980.0 1.209 1.584 1.416 0.000 0.000 -0.000 3/29160 990.0 1.197 1.568 1.401 0.000 0.000 -0.000 3/29160 1000.0 1.185 1.552 1.387 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:29:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|