# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/814c8bc7-8975-41de-adde-6ebdb08cba94/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for BaLa2O4 / Cmcm (63) / materials id 752726](https://mdr.nims.go.jp/datasets/44990883-76ff-4bfc-a8cf-ff15ac2a3d74) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 22:56:33]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 1.804501640000000 -5.976726750000001 0.000000000000000 b 1.804501640000000 5.976726750000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.680602130000000Atomic positions (fractional): *1 Ba 0.88641673516931 0.11358326483069 0.25000000000000 137.327 2 Ba 0.11358326483069 0.88641673516931 0.75000000000000 137.327 *3 La 0.63252200869114 0.36747799130886 0.42753545349584 138.905 4 La 0.63252200869114 0.36747799130886 0.07246454650416 138.905 5 La 0.36747799130886 0.63252200869114 0.57246454650416 138.905 6 La 0.36747799130886 0.63252200869114 0.92753545349584 138.905 *7 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 8 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 *9 O 0.54250055628577 0.45749944371423 0.25000000000000 15.999 *10 O 0.73783274653735 0.26216725346265 0.60482900215289 15.999 11 O 0.73783274653735 0.26216725346265 0.89517099784711 15.999 12 O 0.45749944371423 0.54250055628577 0.75000000000000 15.999 13 O 0.26216725346265 0.73783274653735 0.39517099784711 15.999 14 O 0.26216725346265 0.73783274653735 0.10482900215289 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.609003280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.953453500000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.680602130000000Atomic positions (fractional): *1 Ba 0.00000000000000 0.11358326483069 0.25000000000000 137.327 > 1 2 Ba 0.50000000000000 0.38641673516931 0.75000000000000 137.327 > 2 3 Ba 0.50000000000000 0.61358326483069 0.25000000000000 137.327 > 1 4 Ba 0.00000000000000 0.88641673516931 0.75000000000000 137.327 > 2 *5 La 0.00000000000000 0.36747799130886 0.42753545349584 138.905 > 3 6 La 0.00000000000000 0.36747799130886 0.07246454650416 138.905 > 4 7 La 0.50000000000000 0.13252200869114 0.57246454650416 138.905 > 5 8 La 0.50000000000000 0.13252200869114 0.92753545349584 138.905 > 6 9 La 0.50000000000000 0.86747799130886 0.42753545349584 138.905 > 3 10 La 0.50000000000000 0.86747799130886 0.07246454650416 138.905 > 4 11 La 0.00000000000000 0.63252200869114 0.57246454650416 138.905 > 5 12 La 0.00000000000000 0.63252200869114 0.92753545349584 138.905 > 6 *13 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 7 14 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 8 *15 O 0.00000000000000 0.45749944371423 0.25000000000000 15.999 > 9 *16 O 0.00000000000000 0.26216725346265 0.60482900215289 15.999 > 10 17 O 0.00000000000000 0.26216725346265 0.89517099784711 15.999 > 11 18 O 0.50000000000000 0.04250055628577 0.75000000000000 15.999 > 12 19 O 0.50000000000000 0.23783274653735 0.39517099784711 15.999 > 13 20 O 0.50000000000000 0.23783274653735 0.10482900215289 15.999 > 14 21 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 7 22 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 8 23 O 0.50000000000000 0.95749944371423 0.25000000000000 15.999 > 9 24 O 0.50000000000000 0.76216725346265 0.60482900215289 15.999 > 10 25 O 0.50000000000000 0.76216725346265 0.89517099784711 15.999 > 11 26 O 0.00000000000000 0.54250055628577 0.75000000000000 15.999 > 12 27 O 0.00000000000000 0.73783274653735 0.39517099784711 15.999 > 13 28 O 0.00000000000000 0.73783274653735 0.10482900215289 15.999 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 14.436013120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.953453500000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.680602130000000Atomic positions (fractional): *1 Ba 0.00000000000000 0.11358326483069 0.25000000000000 137.327 > 1 2 Ba 0.25000000000000 0.11358326483069 0.25000000000000 137.327 > 1 3 Ba 0.50000000000000 0.11358326483069 0.25000000000000 137.327 > 1 4 Ba 0.75000000000000 0.11358326483069 0.25000000000000 137.327 > 1 5 Ba 0.12500000000000 0.38641673516931 0.75000000000000 137.327 > 2 6 Ba 0.37500000000000 0.38641673516931 0.75000000000000 137.327 > 2 7 Ba 0.62500000000000 0.38641673516931 0.75000000000000 137.327 > 2 8 Ba 0.87500000000000 0.38641673516931 0.75000000000000 137.327 > 2 9 Ba 0.12500000000000 0.61358326483069 0.25000000000000 137.327 > 1 10 Ba 0.37500000000000 0.61358326483069 0.25000000000000 137.327 > 1 11 Ba 0.62500000000000 0.61358326483069 0.25000000000000 137.327 > 1 12 Ba 0.87500000000000 0.61358326483069 0.25000000000000 137.327 > 1 13 Ba 0.00000000000000 0.88641673516931 0.75000000000000 137.327 > 2 14 Ba 0.25000000000000 0.88641673516931 0.75000000000000 137.327 > 2 15 Ba 0.50000000000000 0.88641673516931 0.75000000000000 137.327 > 2 16 Ba 0.75000000000000 0.88641673516931 0.75000000000000 137.327 > 2 *17 La 0.00000000000000 0.36747799130886 0.42753545349584 138.905 > 3 18 La 0.25000000000000 0.36747799130886 0.42753545349584 138.905 > 3 19 La 0.50000000000000 0.36747799130886 0.42753545349584 138.905 > 3 20 La 0.75000000000000 0.36747799130886 0.42753545349584 138.905 > 3 21 La 0.00000000000000 0.36747799130886 0.07246454650416 138.905 > 4 22 La 0.25000000000000 0.36747799130886 0.07246454650416 138.905 > 4 23 La 0.50000000000000 0.36747799130886 0.07246454650416 138.905 > 4 24 La 0.75000000000000 0.36747799130886 0.07246454650416 138.905 > 4 25 La 0.12500000000000 0.13252200869114 0.57246454650416 138.905 > 5 26 La 0.37500000000000 0.13252200869114 0.57246454650416 138.905 > 5 27 La 0.62500000000000 0.13252200869114 0.57246454650416 138.905 > 5 28 La 0.87500000000000 0.13252200869114 0.57246454650416 138.905 > 5 29 La 0.12500000000000 0.13252200869114 0.92753545349584 138.905 > 6 30 La 0.37500000000000 0.13252200869114 0.92753545349584 138.905 > 6 31 La 0.62500000000000 0.13252200869114 0.92753545349584 138.905 > 6 32 La 0.87500000000000 0.13252200869114 0.92753545349584 138.905 > 6 33 La 0.12500000000000 0.86747799130886 0.42753545349584 138.905 > 3 34 La 0.37500000000000 0.86747799130886 0.42753545349584 138.905 > 3 35 La 0.62500000000000 0.86747799130886 0.42753545349584 138.905 > 3 36 La 0.87500000000000 0.86747799130886 0.42753545349584 138.905 > 3 37 La 0.12500000000000 0.86747799130886 0.07246454650416 138.905 > 4 38 La 0.37500000000000 0.86747799130886 0.07246454650416 138.905 > 4 39 La 0.62500000000000 0.86747799130886 0.07246454650416 138.905 > 4 40 La 0.87500000000000 0.86747799130886 0.07246454650416 138.905 > 4 41 La 0.00000000000000 0.63252200869114 0.57246454650416 138.905 > 5 42 La 0.25000000000000 0.63252200869114 0.57246454650416 138.905 > 5 43 La 0.50000000000000 0.63252200869114 0.57246454650416 138.905 > 5 44 La 0.75000000000000 0.63252200869114 0.57246454650416 138.905 > 5 45 La 0.00000000000000 0.63252200869114 0.92753545349584 138.905 > 6 46 La 0.25000000000000 0.63252200869114 0.92753545349584 138.905 > 6 47 La 0.50000000000000 0.63252200869114 0.92753545349584 138.905 > 6 48 La 0.75000000000000 0.63252200869114 0.92753545349584 138.905 > 6 *49 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 7 50 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 7 51 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 7 52 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 7 53 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 8 54 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 8 55 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 8 56 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 8 *57 O 0.00000000000000 0.45749944371423 0.25000000000000 15.999 > 9 58 O 0.25000000000000 0.45749944371423 0.25000000000000 15.999 > 9 59 O 0.50000000000000 0.45749944371423 0.25000000000000 15.999 > 9 60 O 0.75000000000000 0.45749944371423 0.25000000000000 15.999 > 9 *61 O 0.00000000000000 0.26216725346265 0.60482900215289 15.999 > 10 62 O 0.25000000000000 0.26216725346265 0.60482900215289 15.999 > 10 63 O 0.50000000000000 0.26216725346265 0.60482900215289 15.999 > 10 64 O 0.75000000000000 0.26216725346265 0.60482900215289 15.999 > 10 65 O 0.00000000000000 0.26216725346265 0.89517099784711 15.999 > 11 66 O 0.25000000000000 0.26216725346265 0.89517099784711 15.999 > 11 67 O 0.50000000000000 0.26216725346265 0.89517099784711 15.999 > 11 68 O 0.75000000000000 0.26216725346265 0.89517099784711 15.999 > 11 69 O 0.12500000000000 0.04250055628577 0.75000000000000 15.999 > 12 70 O 0.37500000000000 0.04250055628577 0.75000000000000 15.999 > 12 71 O 0.62500000000000 0.04250055628577 0.75000000000000 15.999 > 12 72 O 0.87500000000000 0.04250055628577 0.75000000000000 15.999 > 12 73 O 0.12500000000000 0.23783274653735 0.39517099784711 15.999 > 13 74 O 0.37500000000000 0.23783274653735 0.39517099784711 15.999 > 13 75 O 0.62500000000000 0.23783274653735 0.39517099784711 15.999 > 13 76 O 0.87500000000000 0.23783274653735 0.39517099784711 15.999 > 13 77 O 0.12500000000000 0.23783274653735 0.10482900215289 15.999 > 14 78 O 0.37500000000000 0.23783274653735 0.10482900215289 15.999 > 14 79 O 0.62500000000000 0.23783274653735 0.10482900215289 15.999 > 14 80 O 0.87500000000000 0.23783274653735 0.10482900215289 15.999 > 14 81 O 0.12500000000000 0.50000000000000 0.00000000000000 15.999 > 7 82 O 0.37500000000000 0.50000000000000 0.00000000000000 15.999 > 7 83 O 0.62500000000000 0.50000000000000 0.00000000000000 15.999 > 7 84 O 0.87500000000000 0.50000000000000 0.00000000000000 15.999 > 7 85 O 0.12500000000000 0.50000000000000 0.50000000000000 15.999 > 8 86 O 0.37500000000000 0.50000000000000 0.50000000000000 15.999 > 8 87 O 0.62500000000000 0.50000000000000 0.50000000000000 15.999 > 8 88 O 0.87500000000000 0.50000000000000 0.50000000000000 15.999 > 8 89 O 0.12500000000000 0.95749944371423 0.25000000000000 15.999 > 9 90 O 0.37500000000000 0.95749944371423 0.25000000000000 15.999 > 9 91 O 0.62500000000000 0.95749944371423 0.25000000000000 15.999 > 9 92 O 0.87500000000000 0.95749944371423 0.25000000000000 15.999 > 9 93 O 0.12500000000000 0.76216725346265 0.60482900215289 15.999 > 10 94 O 0.37500000000000 0.76216725346265 0.60482900215289 15.999 > 10 95 O 0.62500000000000 0.76216725346265 0.60482900215289 15.999 > 10 96 O 0.87500000000000 0.76216725346265 0.60482900215289 15.999 > 10 97 O 0.12500000000000 0.76216725346265 0.89517099784711 15.999 > 11 98 O 0.37500000000000 0.76216725346265 0.89517099784711 15.999 > 11 99 O 0.62500000000000 0.76216725346265 0.89517099784711 15.999 > 11 100 O 0.87500000000000 0.76216725346265 0.89517099784711 15.999 > 11 101 O 0.00000000000000 0.54250055628577 0.75000000000000 15.999 > 12 102 O 0.25000000000000 0.54250055628577 0.75000000000000 15.999 > 12 103 O 0.50000000000000 0.54250055628577 0.75000000000000 15.999 > 12 104 O 0.75000000000000 0.54250055628577 0.75000000000000 15.999 > 12 105 O 0.00000000000000 0.73783274653735 0.39517099784711 15.999 > 13 106 O 0.25000000000000 0.73783274653735 0.39517099784711 15.999 > 13 107 O 0.50000000000000 0.73783274653735 0.39517099784711 15.999 > 13 108 O 0.75000000000000 0.73783274653735 0.39517099784711 15.999 > 13 109 O 0.00000000000000 0.73783274653735 0.10482900215289 15.999 > 14 110 O 0.25000000000000 0.73783274653735 0.10482900215289 15.999 > 14 111 O 0.50000000000000 0.73783274653735 0.10482900215289 15.999 > 14 112 O 0.75000000000000 0.73783274653735 0.10482900215289 15.999 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.6527380 0.0000000 0.0000000 0.0000000 4.5872081 0.0000000 0.0000000 0.0000000 4.2669300-------------------------- Born effective charges -------------------------- 1 Ba 2.7970996 0.0000000 0.0000000 0.0000000 2.7574361 0.0000000 0.0000000 0.0000000 2.4129086 2 Ba 2.7970996 0.0000000 0.0000000 0.0000000 2.7574361 0.0000000 0.0000000 0.0000000 2.4129086 3 La 4.2296436 0.0000000 0.0000000 0.0000000 4.1304669 -0.4679564 0.0000000 -0.5535524 3.8231621 4 La 4.2296436 0.0000000 0.0000000 0.0000000 4.1304669 0.4679564 0.0000000 0.5535524 3.8231621 5 La 4.2296436 0.0000000 0.0000000 0.0000000 4.1304669 -0.4679564 0.0000000 -0.5535524 3.8231621 6 La 4.2296436 0.0000000 0.0000000 0.0000000 4.1304669 0.4679564 0.0000000 0.5535524 3.8231621 7 O -3.2130570 0.0000000 0.0000000 0.0000000 -2.8920744 0.6586436 0.0000000 0.5611745 -1.9617881 8 O -3.2130570 0.0000000 0.0000000 0.0000000 -2.8920744 -0.6586436 0.0000000 -0.5611745 -1.9617881 9 O -2.0473102 0.0000000 0.0000000 0.0000000 -2.6915461 0.0000000 0.0000000 0.0000000 -3.5449808 10 O -2.9980098 0.0000000 0.0000000 0.0000000 -2.7173748 -0.0001552 0.0000000 0.0579044 -2.2762320 11 O -2.9980098 0.0000000 0.0000000 0.0000000 -2.7173748 0.0001552 0.0000000 -0.0579044 -2.2762320 12 O -2.0473102 0.0000000 0.0000000 0.0000000 -2.6915461 0.0000000 0.0000000 0.0000000 -3.5449808 13 O -2.9980098 0.0000000 0.0000000 0.0000000 -2.7173748 -0.0001552 0.0000000 0.0579044 -2.2762320 14 O -2.9980098 0.0000000 0.0000000 0.0000000 -2.7173748 0.0001552 0.0000000 -0.0579044 -2.2762320----------------------------------------------------------------------------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: 336/336Permutation basis: 8736/8736Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1028Number of blocks in projector: 1028Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 170Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 170Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 170Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 132Use standard eigh solver.Tree of FC basis block matrices:- (1028, 1007), data: False|-- (132, 132), data: True|-- (156, 156), data: True|-- (170, 165), data: True|-- (170, 165), data: True|-- (170, 165), data: True|-- (230, 224), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 240 - Time: 1.052Solver_block: 200 / 240 - Time: 1.063Solver_block: 240 / 240 - Time: 0.494Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.636--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336Permutation basis: 8736/8736Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1028Number of blocks in projector: 1028Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 170Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 170Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 170Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 132Use standard eigh solver.Tree of FC basis block matrices:- (1028, 1007), data: False|-- (132, 132), data: True|-- (156, 156), data: True|-- (170, 165), data: True|-- (170, 165), data: True|-- (170, 165), data: True|-- (230, 224), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 22:56:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 22:56:47]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [4 1 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.804501640000000 -5.976726750000001 0.000000000000000 b 1.804501640000000 5.976726750000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.680602130000000Atomic positions (fractional): 1 Ba 0.88641673516931 0.11358326483069 0.25000000000000 137.327 2 Ba 0.11358326483069 0.88641673516931 0.75000000000000 137.327 3 La 0.63252200869114 0.36747799130886 0.42753545349584 138.905 4 La 0.63252200869114 0.36747799130886 0.07246454650416 138.905 5 La 0.36747799130886 0.63252200869114 0.57246454650416 138.905 6 La 0.36747799130886 0.63252200869114 0.92753545349584 138.905 7 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 8 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 9 O 0.54250055628577 0.45749944371423 0.25000000000000 15.999 10 O 0.73783274653735 0.26216725346265 0.60482900215289 15.999 11 O 0.73783274653735 0.26216725346265 0.89517099784711 15.999 12 O 0.45749944371423 0.54250055628577 0.75000000000000 15.999 13 O 0.26216725346265 0.73783274653735 0.39517099784711 15.999 14 O 0.26216725346265 0.73783274653735 0.10482900215289 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 14.436013120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.953453500000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.680602130000000Atomic positions (fractional): 1 Ba 0.00000000000000 0.11358326483069 0.25000000000000 137.327 > 1 2 Ba 0.25000000000000 0.11358326483069 0.25000000000000 137.327 > 1 3 Ba 0.50000000000000 0.11358326483069 0.25000000000000 137.327 > 1 4 Ba 0.75000000000000 0.11358326483069 0.25000000000000 137.327 > 1 5 Ba 0.12500000000000 0.38641673516931 0.75000000000000 137.327 > 5 6 Ba 0.37500000000000 0.38641673516931 0.75000000000000 137.327 > 5 7 Ba 0.62500000000000 0.38641673516931 0.75000000000000 137.327 > 5 8 Ba 0.87500000000000 0.38641673516931 0.75000000000000 137.327 > 5 9 Ba 0.12500000000000 0.61358326483069 0.25000000000000 137.327 > 1 10 Ba 0.37500000000000 0.61358326483069 0.25000000000000 137.327 > 1 11 Ba 0.62500000000000 0.61358326483069 0.25000000000000 137.327 > 1 12 Ba 0.87500000000000 0.61358326483069 0.25000000000000 137.327 > 1 13 Ba 0.00000000000000 0.88641673516931 0.75000000000000 137.327 > 5 14 Ba 0.25000000000000 0.88641673516931 0.75000000000000 137.327 > 5 15 Ba 0.50000000000000 0.88641673516931 0.75000000000000 137.327 > 5 16 Ba 0.75000000000000 0.88641673516931 0.75000000000000 137.327 > 5 17 La 0.00000000000000 0.36747799130886 0.42753545349584 138.905 > 17 18 La 0.25000000000000 0.36747799130886 0.42753545349584 138.905 > 17 19 La 0.50000000000000 0.36747799130886 0.42753545349584 138.905 > 17 20 La 0.75000000000000 0.36747799130886 0.42753545349584 138.905 > 17 21 La 0.00000000000000 0.36747799130886 0.07246454650416 138.905 > 21 22 La 0.25000000000000 0.36747799130886 0.07246454650416 138.905 > 21 23 La 0.50000000000000 0.36747799130886 0.07246454650416 138.905 > 21 24 La 0.75000000000000 0.36747799130886 0.07246454650416 138.905 > 21 25 La 0.12500000000000 0.13252200869114 0.57246454650416 138.905 > 25 26 La 0.37500000000000 0.13252200869114 0.57246454650416 138.905 > 25 27 La 0.62500000000000 0.13252200869114 0.57246454650416 138.905 > 25 28 La 0.87500000000000 0.13252200869114 0.57246454650416 138.905 > 25 29 La 0.12500000000000 0.13252200869114 0.92753545349584 138.905 > 29 30 La 0.37500000000000 0.13252200869114 0.92753545349584 138.905 > 29 31 La 0.62500000000000 0.13252200869114 0.92753545349584 138.905 > 29 32 La 0.87500000000000 0.13252200869114 0.92753545349584 138.905 > 29 33 La 0.12500000000000 0.86747799130886 0.42753545349584 138.905 > 17 34 La 0.37500000000000 0.86747799130886 0.42753545349584 138.905 > 17 35 La 0.62500000000000 0.86747799130886 0.42753545349584 138.905 > 17 36 La 0.87500000000000 0.86747799130886 0.42753545349584 138.905 > 17 37 La 0.12500000000000 0.86747799130886 0.07246454650416 138.905 > 21 38 La 0.37500000000000 0.86747799130886 0.07246454650416 138.905 > 21 39 La 0.62500000000000 0.86747799130886 0.07246454650416 138.905 > 21 40 La 0.87500000000000 0.86747799130886 0.07246454650416 138.905 > 21 41 La 0.00000000000000 0.63252200869114 0.57246454650416 138.905 > 25 42 La 0.25000000000000 0.63252200869114 0.57246454650416 138.905 > 25 43 La 0.50000000000000 0.63252200869114 0.57246454650416 138.905 > 25 44 La 0.75000000000000 0.63252200869114 0.57246454650416 138.905 > 25 45 La 0.00000000000000 0.63252200869114 0.92753545349584 138.905 > 29 46 La 0.25000000000000 0.63252200869114 0.92753545349584 138.905 > 29 47 La 0.50000000000000 0.63252200869114 0.92753545349584 138.905 > 29 48 La 0.75000000000000 0.63252200869114 0.92753545349584 138.905 > 29 49 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 49 51 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 49 52 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 53 54 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 53 55 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 53 56 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 53 57 O 0.00000000000000 0.45749944371423 0.25000000000000 15.999 > 57 58 O 0.25000000000000 0.45749944371423 0.25000000000000 15.999 > 57 59 O 0.50000000000000 0.45749944371423 0.25000000000000 15.999 > 57 60 O 0.75000000000000 0.45749944371423 0.25000000000000 15.999 > 57 61 O 0.00000000000000 0.26216725346265 0.60482900215289 15.999 > 61 62 O 0.25000000000000 0.26216725346265 0.60482900215289 15.999 > 61 63 O 0.50000000000000 0.26216725346265 0.60482900215289 15.999 > 61 64 O 0.75000000000000 0.26216725346265 0.60482900215289 15.999 > 61 65 O 0.00000000000000 0.26216725346265 0.89517099784711 15.999 > 65 66 O 0.25000000000000 0.26216725346265 0.89517099784711 15.999 > 65 67 O 0.50000000000000 0.26216725346265 0.89517099784711 15.999 > 65 68 O 0.75000000000000 0.26216725346265 0.89517099784711 15.999 > 65 69 O 0.12500000000000 0.04250055628577 0.75000000000000 15.999 > 69 70 O 0.37500000000000 0.04250055628577 0.75000000000000 15.999 > 69 71 O 0.62500000000000 0.04250055628577 0.75000000000000 15.999 > 69 72 O 0.87500000000000 0.04250055628577 0.75000000000000 15.999 > 69 73 O 0.12500000000000 0.23783274653735 0.39517099784711 15.999 > 73 74 O 0.37500000000000 0.23783274653735 0.39517099784711 15.999 > 73 75 O 0.62500000000000 0.23783274653735 0.39517099784711 15.999 > 73 76 O 0.87500000000000 0.23783274653735 0.39517099784711 15.999 > 73 77 O 0.12500000000000 0.23783274653735 0.10482900215289 15.999 > 77 78 O 0.37500000000000 0.23783274653735 0.10482900215289 15.999 > 77 79 O 0.62500000000000 0.23783274653735 0.10482900215289 15.999 > 77 80 O 0.87500000000000 0.23783274653735 0.10482900215289 15.999 > 77 81 O 0.12500000000000 0.50000000000000 0.00000000000000 15.999 > 49 82 O 0.37500000000000 0.50000000000000 0.00000000000000 15.999 > 49 83 O 0.62500000000000 0.50000000000000 0.00000000000000 15.999 > 49 84 O 0.87500000000000 0.50000000000000 0.00000000000000 15.999 > 49 85 O 0.12500000000000 0.50000000000000 0.50000000000000 15.999 > 53 86 O 0.37500000000000 0.50000000000000 0.50000000000000 15.999 > 53 87 O 0.62500000000000 0.50000000000000 0.50000000000000 15.999 > 53 88 O 0.87500000000000 0.50000000000000 0.50000000000000 15.999 > 53 89 O 0.12500000000000 0.95749944371423 0.25000000000000 15.999 > 57 90 O 0.37500000000000 0.95749944371423 0.25000000000000 15.999 > 57 91 O 0.62500000000000 0.95749944371423 0.25000000000000 15.999 > 57 92 O 0.87500000000000 0.95749944371423 0.25000000000000 15.999 > 57 93 O 0.12500000000000 0.76216725346265 0.60482900215289 15.999 > 61 94 O 0.37500000000000 0.76216725346265 0.60482900215289 15.999 > 61 95 O 0.62500000000000 0.76216725346265 0.60482900215289 15.999 > 61 96 O 0.87500000000000 0.76216725346265 0.60482900215289 15.999 > 61 97 O 0.12500000000000 0.76216725346265 0.89517099784711 15.999 > 65 98 O 0.37500000000000 0.76216725346265 0.89517099784711 15.999 > 65 99 O 0.62500000000000 0.76216725346265 0.89517099784711 15.999 > 65 100 O 0.87500000000000 0.76216725346265 0.89517099784711 15.999 > 65 101 O 0.00000000000000 0.54250055628577 0.75000000000000 15.999 > 69 102 O 0.25000000000000 0.54250055628577 0.75000000000000 15.999 > 69 103 O 0.50000000000000 0.54250055628577 0.75000000000000 15.999 > 69 104 O 0.75000000000000 0.54250055628577 0.75000000000000 15.999 > 69 105 O 0.00000000000000 0.73783274653735 0.39517099784711 15.999 > 73 106 O 0.25000000000000 0.73783274653735 0.39517099784711 15.999 > 73 107 O 0.50000000000000 0.73783274653735 0.39517099784711 15.999 > 73 108 O 0.75000000000000 0.73783274653735 0.39517099784711 15.999 > 73 109 O 0.00000000000000 0.73783274653735 0.10482900215289 15.999 > 77 110 O 0.25000000000000 0.73783274653735 0.10482900215289 15.999 > 77 111 O 0.50000000000000 0.73783274653735 0.10482900215289 15.999 > 77 112 O 0.75000000000000 0.73783274653735 0.10482900215289 15.999 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.6527380 0.0000000 0.0000000 0.0000000 4.5872081 0.0000000 0.0000000 0.0000000 4.2669300-------------------------- Born effective charges -------------------------- 1 Ba 2.7970996 0.0000000 0.0000000 0.0000000 2.7574361 0.0000000 0.0000000 0.0000000 2.4129086 2 Ba 2.7970996 0.0000000 0.0000000 0.0000000 2.7574361 0.0000000 0.0000000 0.0000000 2.4129086 3 La 4.2296436 0.0000000 0.0000000 0.0000000 4.1304669 -0.4679564 0.0000000 -0.5535524 3.8231621 4 La 4.2296436 0.0000000 0.0000000 0.0000000 4.1304669 0.4679564 0.0000000 0.5535524 3.8231621 5 La 4.2296436 0.0000000 0.0000000 0.0000000 4.1304669 -0.4679564 0.0000000 -0.5535524 3.8231621 6 La 4.2296436 0.0000000 0.0000000 0.0000000 4.1304669 0.4679564 0.0000000 0.5535524 3.8231621 7 O -3.2130570 0.0000000 0.0000000 0.0000000 -2.8920744 0.6586436 0.0000000 0.5611745 -1.9617881 8 O -3.2130570 0.0000000 0.0000000 0.0000000 -2.8920744 -0.6586436 0.0000000 -0.5611745 -1.9617881 9 O -2.0473102 0.0000000 0.0000000 0.0000000 -2.6915461 0.0000000 0.0000000 0.0000000 -3.5449808 10 O -2.9980098 0.0000000 0.0000000 0.0000000 -2.7173748 -0.0001552 0.0000000 0.0579044 -2.2762320 11 O -2.9980098 0.0000000 0.0000000 0.0000000 -2.7173748 0.0001552 0.0000000 -0.0579044 -2.2762320 12 O -2.0473102 0.0000000 0.0000000 0.0000000 -2.6915461 0.0000000 0.0000000 0.0000000 -3.5449808 13 O -2.9980098 0.0000000 0.0000000 0.0000000 -2.7173748 -0.0001552 0.0000000 0.0579044 -2.2762320 14 O -2.9980098 0.0000000 0.0000000 0.0000000 -2.7173748 0.0001552 0.0000000 -0.0579044 -2.2762320----------------------------------------------------------------------------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[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 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[ 57, 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[ 61, 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: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 22:57:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 22:57:01]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [4 1 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.804501640000000 -5.976726750000001 0.000000000000000 b 1.804501640000000 5.976726750000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.680602130000000Atomic positions (fractional): 1 Ba 0.88641673516931 0.11358326483069 0.25000000000000 137.327 2 Ba 0.11358326483069 0.88641673516931 0.75000000000000 137.327 3 La 0.63252200869114 0.36747799130886 0.42753545349584 138.905 4 La 0.63252200869114 0.36747799130886 0.07246454650416 138.905 5 La 0.36747799130886 0.63252200869114 0.57246454650416 138.905 6 La 0.36747799130886 0.63252200869114 0.92753545349584 138.905 7 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 8 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 9 O 0.54250055628577 0.45749944371423 0.25000000000000 15.999 10 O 0.73783274653735 0.26216725346265 0.60482900215289 15.999 11 O 0.73783274653735 0.26216725346265 0.89517099784711 15.999 12 O 0.45749944371423 0.54250055628577 0.75000000000000 15.999 13 O 0.26216725346265 0.73783274653735 0.39517099784711 15.999 14 O 0.26216725346265 0.73783274653735 0.10482900215289 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 14.436013120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.953453500000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.680602130000000Atomic positions (fractional): 1 Ba 0.00000000000000 0.11358326483069 0.25000000000000 137.327 > 1 2 Ba 0.25000000000000 0.11358326483069 0.25000000000000 137.327 > 1 3 Ba 0.50000000000000 0.11358326483069 0.25000000000000 137.327 > 1 4 Ba 0.75000000000000 0.11358326483069 0.25000000000000 137.327 > 1 5 Ba 0.12500000000000 0.38641673516931 0.75000000000000 137.327 > 5 6 Ba 0.37500000000000 0.38641673516931 0.75000000000000 137.327 > 5 7 Ba 0.62500000000000 0.38641673516931 0.75000000000000 137.327 > 5 8 Ba 0.87500000000000 0.38641673516931 0.75000000000000 137.327 > 5 9 Ba 0.12500000000000 0.61358326483069 0.25000000000000 137.327 > 1 10 Ba 0.37500000000000 0.61358326483069 0.25000000000000 137.327 > 1 11 Ba 0.62500000000000 0.61358326483069 0.25000000000000 137.327 > 1 12 Ba 0.87500000000000 0.61358326483069 0.25000000000000 137.327 > 1 13 Ba 0.00000000000000 0.88641673516931 0.75000000000000 137.327 > 5 14 Ba 0.25000000000000 0.88641673516931 0.75000000000000 137.327 > 5 15 Ba 0.50000000000000 0.88641673516931 0.75000000000000 137.327 > 5 16 Ba 0.75000000000000 0.88641673516931 0.75000000000000 137.327 > 5 17 La 0.00000000000000 0.36747799130886 0.42753545349584 138.905 > 17 18 La 0.25000000000000 0.36747799130886 0.42753545349584 138.905 > 17 19 La 0.50000000000000 0.36747799130886 0.42753545349584 138.905 > 17 20 La 0.75000000000000 0.36747799130886 0.42753545349584 138.905 > 17 21 La 0.00000000000000 0.36747799130886 0.07246454650416 138.905 > 21 22 La 0.25000000000000 0.36747799130886 0.07246454650416 138.905 > 21 23 La 0.50000000000000 0.36747799130886 0.07246454650416 138.905 > 21 24 La 0.75000000000000 0.36747799130886 0.07246454650416 138.905 > 21 25 La 0.12500000000000 0.13252200869114 0.57246454650416 138.905 > 25 26 La 0.37500000000000 0.13252200869114 0.57246454650416 138.905 > 25 27 La 0.62500000000000 0.13252200869114 0.57246454650416 138.905 > 25 28 La 0.87500000000000 0.13252200869114 0.57246454650416 138.905 > 25 29 La 0.12500000000000 0.13252200869114 0.92753545349584 138.905 > 29 30 La 0.37500000000000 0.13252200869114 0.92753545349584 138.905 > 29 31 La 0.62500000000000 0.13252200869114 0.92753545349584 138.905 > 29 32 La 0.87500000000000 0.13252200869114 0.92753545349584 138.905 > 29 33 La 0.12500000000000 0.86747799130886 0.42753545349584 138.905 > 17 34 La 0.37500000000000 0.86747799130886 0.42753545349584 138.905 > 17 35 La 0.62500000000000 0.86747799130886 0.42753545349584 138.905 > 17 36 La 0.87500000000000 0.86747799130886 0.42753545349584 138.905 > 17 37 La 0.12500000000000 0.86747799130886 0.07246454650416 138.905 > 21 38 La 0.37500000000000 0.86747799130886 0.07246454650416 138.905 > 21 39 La 0.62500000000000 0.86747799130886 0.07246454650416 138.905 > 21 40 La 0.87500000000000 0.86747799130886 0.07246454650416 138.905 > 21 41 La 0.00000000000000 0.63252200869114 0.57246454650416 138.905 > 25 42 La 0.25000000000000 0.63252200869114 0.57246454650416 138.905 > 25 43 La 0.50000000000000 0.63252200869114 0.57246454650416 138.905 > 25 44 La 0.75000000000000 0.63252200869114 0.57246454650416 138.905 > 25 45 La 0.00000000000000 0.63252200869114 0.92753545349584 138.905 > 29 46 La 0.25000000000000 0.63252200869114 0.92753545349584 138.905 > 29 47 La 0.50000000000000 0.63252200869114 0.92753545349584 138.905 > 29 48 La 0.75000000000000 0.63252200869114 0.92753545349584 138.905 > 29 49 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 49 51 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 49 52 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 53 54 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 53 55 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 53 56 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 53 57 O 0.00000000000000 0.45749944371423 0.25000000000000 15.999 > 57 58 O 0.25000000000000 0.45749944371423 0.25000000000000 15.999 > 57 59 O 0.50000000000000 0.45749944371423 0.25000000000000 15.999 > 57 60 O 0.75000000000000 0.45749944371423 0.25000000000000 15.999 > 57 61 O 0.00000000000000 0.26216725346265 0.60482900215289 15.999 > 61 62 O 0.25000000000000 0.26216725346265 0.60482900215289 15.999 > 61 63 O 0.50000000000000 0.26216725346265 0.60482900215289 15.999 > 61 64 O 0.75000000000000 0.26216725346265 0.60482900215289 15.999 > 61 65 O 0.00000000000000 0.26216725346265 0.89517099784711 15.999 > 65 66 O 0.25000000000000 0.26216725346265 0.89517099784711 15.999 > 65 67 O 0.50000000000000 0.26216725346265 0.89517099784711 15.999 > 65 68 O 0.75000000000000 0.26216725346265 0.89517099784711 15.999 > 65 69 O 0.12500000000000 0.04250055628577 0.75000000000000 15.999 > 69 70 O 0.37500000000000 0.04250055628577 0.75000000000000 15.999 > 69 71 O 0.62500000000000 0.04250055628577 0.75000000000000 15.999 > 69 72 O 0.87500000000000 0.04250055628577 0.75000000000000 15.999 > 69 73 O 0.12500000000000 0.23783274653735 0.39517099784711 15.999 > 73 74 O 0.37500000000000 0.23783274653735 0.39517099784711 15.999 > 73 75 O 0.62500000000000 0.23783274653735 0.39517099784711 15.999 > 73 76 O 0.87500000000000 0.23783274653735 0.39517099784711 15.999 > 73 77 O 0.12500000000000 0.23783274653735 0.10482900215289 15.999 > 77 78 O 0.37500000000000 0.23783274653735 0.10482900215289 15.999 > 77 79 O 0.62500000000000 0.23783274653735 0.10482900215289 15.999 > 77 80 O 0.87500000000000 0.23783274653735 0.10482900215289 15.999 > 77 81 O 0.12500000000000 0.50000000000000 0.00000000000000 15.999 > 49 82 O 0.37500000000000 0.50000000000000 0.00000000000000 15.999 > 49 83 O 0.62500000000000 0.50000000000000 0.00000000000000 15.999 > 49 84 O 0.87500000000000 0.50000000000000 0.00000000000000 15.999 > 49 85 O 0.12500000000000 0.50000000000000 0.50000000000000 15.999 > 53 86 O 0.37500000000000 0.50000000000000 0.50000000000000 15.999 > 53 87 O 0.62500000000000 0.50000000000000 0.50000000000000 15.999 > 53 88 O 0.87500000000000 0.50000000000000 0.50000000000000 15.999 > 53 89 O 0.12500000000000 0.95749944371423 0.25000000000000 15.999 > 57 90 O 0.37500000000000 0.95749944371423 0.25000000000000 15.999 > 57 91 O 0.62500000000000 0.95749944371423 0.25000000000000 15.999 > 57 92 O 0.87500000000000 0.95749944371423 0.25000000000000 15.999 > 57 93 O 0.12500000000000 0.76216725346265 0.60482900215289 15.999 > 61 94 O 0.37500000000000 0.76216725346265 0.60482900215289 15.999 > 61 95 O 0.62500000000000 0.76216725346265 0.60482900215289 15.999 > 61 96 O 0.87500000000000 0.76216725346265 0.60482900215289 15.999 > 61 97 O 0.12500000000000 0.76216725346265 0.89517099784711 15.999 > 65 98 O 0.37500000000000 0.76216725346265 0.89517099784711 15.999 > 65 99 O 0.62500000000000 0.76216725346265 0.89517099784711 15.999 > 65 100 O 0.87500000000000 0.76216725346265 0.89517099784711 15.999 > 65 101 O 0.00000000000000 0.54250055628577 0.75000000000000 15.999 > 69 102 O 0.25000000000000 0.54250055628577 0.75000000000000 15.999 > 69 103 O 0.50000000000000 0.54250055628577 0.75000000000000 15.999 > 69 104 O 0.75000000000000 0.54250055628577 0.75000000000000 15.999 > 69 105 O 0.00000000000000 0.73783274653735 0.39517099784711 15.999 > 73 106 O 0.25000000000000 0.73783274653735 0.39517099784711 15.999 > 73 107 O 0.50000000000000 0.73783274653735 0.39517099784711 15.999 > 73 108 O 0.75000000000000 0.73783274653735 0.39517099784711 15.999 > 73 109 O 0.00000000000000 0.73783274653735 0.10482900215289 15.999 > 77 110 O 0.25000000000000 0.73783274653735 0.10482900215289 15.999 > 77 111 O 0.50000000000000 0.73783274653735 0.10482900215289 15.999 > 77 112 O 0.75000000000000 0.73783274653735 0.10482900215289 15.999 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.6527380 0.0000000 0.0000000 0.0000000 4.5872081 0.0000000 0.0000000 0.0000000 4.2669300-------------------------- Born effective charges -------------------------- 1 Ba 2.7970996 0.0000000 0.0000000 0.0000000 2.7574361 0.0000000 0.0000000 0.0000000 2.4129086 2 Ba 2.7970996 0.0000000 0.0000000 0.0000000 2.7574361 0.0000000 0.0000000 0.0000000 2.4129086 3 La 4.2296436 0.0000000 0.0000000 0.0000000 4.1304669 -0.4679564 0.0000000 -0.5535524 3.8231621 4 La 4.2296436 0.0000000 0.0000000 0.0000000 4.1304669 0.4679564 0.0000000 0.5535524 3.8231621 5 La 4.2296436 0.0000000 0.0000000 0.0000000 4.1304669 -0.4679564 0.0000000 -0.5535524 3.8231621 6 La 4.2296436 0.0000000 0.0000000 0.0000000 4.1304669 0.4679564 0.0000000 0.5535524 3.8231621 7 O -3.2130570 0.0000000 0.0000000 0.0000000 -2.8920744 0.6586436 0.0000000 0.5611745 -1.9617881 8 O -3.2130570 0.0000000 0.0000000 0.0000000 -2.8920744 -0.6586436 0.0000000 -0.5611745 -1.9617881 9 O -2.0473102 0.0000000 0.0000000 0.0000000 -2.6915461 0.0000000 0.0000000 0.0000000 -3.5449808 10 O -2.9980098 0.0000000 0.0000000 0.0000000 -2.7173748 -0.0001552 0.0000000 0.0579044 -2.2762320 11 O -2.9980098 0.0000000 0.0000000 0.0000000 -2.7173748 0.0001552 0.0000000 -0.0579044 -2.2762320 12 O -2.0473102 0.0000000 0.0000000 0.0000000 -2.6915461 0.0000000 0.0000000 0.0000000 -3.5449808 13 O -2.9980098 0.0000000 0.0000000 0.0000000 -2.7173748 -0.0001552 0.0000000 0.0579044 -2.2762320 14 O -2.9980098 0.0000000 0.0000000 0.0000000 -2.7173748 0.0001552 0.0000000 -0.0579044 -2.2762320----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 4 ]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: 0.66, Number of G-points: 299, Lambda: 0.15Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/171) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.966 ( 0.000 0.000 0.000) 0.000 1.175 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.997 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 0.000 0.000) 0.000 6.797 ( 0.000 0.000 0.000) 0.000 6.904 ( 0.000 0.000 0.000) 0.000 7.007 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.340 ( 0.000 0.000 0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.386 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.955 ( 0.000 0.000 0.000) 0.000 9.080 ( 0.000 0.000 0.000) 0.000 9.750 ( 0.000 0.000 0.000) 0.000 9.812 ( 0.000 0.000 0.000) 0.000 12.406 ( 0.000 0.000 0.000) 0.000 12.886 ( 0.000 0.000 0.000) 0.000 14.354 ( 0.000 0.000 0.000) 0.000 14.731 ( 0.000 0.000 0.000) 0.000 15.412 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/171) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.398 ( 15.904 -13.478 0.000) 20.847 0.441 ( 17.578 -23.626 0.000) 29.448 1.104 ( 51.768 -4.959 0.000) 52.005 1.252 ( 6.838 -4.659 0.000) 8.274 1.450 ( 38.307 -0.414 0.000) 38.309 1.973 ( 14.779 -0.034 0.000) 14.779 2.201 ( 18.211 2.197 0.000) 18.343 2.560 ( 15.433 -3.478 0.000) 15.820 2.562 ( 21.277 -0.001 0.000) 21.277 2.724 ( 2.480 9.198 0.000) 9.527 2.850 ( -0.537 10.647 0.000) 10.661 2.921 ( -0.720 -1.600 0.000) 1.754 3.443 ( 6.786 -6.989 0.000) 9.741 3.569 ( -2.030 1.196 0.000) 2.356 3.621 ( -2.299 -5.498 0.000) 5.959 4.594 ( -3.050 0.396 0.000) 3.076 5.639 ( -3.683 9.153 0.000) 9.866 5.768 ( 1.700 -5.320 0.000) 5.585 5.965 ( -0.914 4.747 0.000) 4.834 6.089 ( 37.711 -6.334 0.000) 38.239 6.204 ( -5.220 -0.280 0.000) 5.228 6.587 ( -4.076 9.810 0.000) 10.624 7.059 ( -5.388 1.831 0.000) 5.691 7.092 ( 12.293 5.542 0.000) 13.485 7.110 ( 14.476 6.689 0.000) 15.946 7.785 ( -2.009 0.487 0.000) 2.067 8.029 ( -10.893 4.047 0.000) 11.620 8.114 ( -10.098 1.565 0.000) 10.218 8.370 ( 1.726 -0.039 0.000) 1.726 8.482 ( 2.107 3.287 0.000) 3.904 8.517 ( -3.698 -2.397 0.000) 4.406 8.545 ( 7.409 -5.864 0.000) 9.449 8.958 ( 3.554 6.829 0.000) 7.699 9.111 ( 2.727 -0.089 0.000) 2.729 9.707 ( -4.212 0.295 0.000) 4.222 9.812 ( -0.783 -1.169 0.000) 1.407 12.293 ( -11.980 -2.770 0.000) 12.296 12.780 ( -10.716 -1.051 0.000) 10.768 14.237 ( -6.814 5.800 0.000) 8.948 14.544 ( -3.914 -9.136 0.000) 9.939 14.654 ( -7.983 -1.102 0.000) 8.059 15.374 ( -3.228 0.843 0.000) 3.336======================= Grid point 2 (3/171) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.773 ( 13.755 -12.128 0.000) 18.339 0.959 ( 21.148 -17.613 0.000) 27.522 1.499 ( 14.318 -6.347 0.000) 15.662 2.040 ( 37.427 -1.015 0.000) 37.441 2.173 ( 28.454 1.048 0.000) 28.473 2.284 ( 15.513 0.426 0.000) 15.519 2.547 ( 13.227 3.279 0.000) 13.627 2.768 ( 4.405 15.417 0.000) 16.034 2.868 ( 22.387 9.692 0.000) 24.395 2.911 ( 1.949 3.152 0.000) 3.706 2.981 ( 22.890 -7.254 0.000) 24.012 3.115 ( 27.806 -3.225 0.000) 27.992 3.505 ( -1.729 5.300 0.000) 5.575 3.653 ( 2.598 -11.024 0.000) 11.326 3.717 ( 16.250 -8.195 0.000) 18.199 4.512 ( -4.679 0.232 0.000) 4.685 5.464 ( -7.866 10.284 0.000) 12.947 5.830 ( 1.148 -4.231 0.000) 4.384 5.867 ( -5.981 5.549 0.000) 8.158 6.066 ( -8.476 -1.237 0.000) 8.565 6.572 ( 5.919 2.732 0.000) 6.519 6.879 ( 27.323 -1.001 0.000) 27.342 6.956 ( 0.192 -0.364 0.000) 0.411 7.326 ( 13.425 1.339 0.000) 13.491 7.374 ( 14.768 6.228 0.000) 16.027 7.753 ( -0.797 2.617 0.000) 2.736 7.770 ( -10.881 5.526 0.000) 12.204 7.941 ( -3.369 -0.831 0.000) 3.470 8.404 ( -0.066 1.987 0.000) 1.988 8.419 ( -3.572 0.228 0.000) 3.579 8.430 ( -3.582 -0.228 0.000) 3.589 8.794 ( 12.171 -3.175 0.000) 12.579 9.009 ( 5.286 5.528 0.000) 7.648 9.166 ( 2.899 2.106 0.000) 3.583 9.586 ( -7.385 0.025 0.000) 7.385 9.772 ( -4.209 -0.140 0.000) 4.211 11.982 ( -20.862 -3.739 0.000) 21.194 12.472 ( -21.398 -2.186 0.000) 21.510 13.981 ( -15.879 2.063 0.000) 16.013 14.441 ( -14.049 -2.156 0.000) 14.213 14.512 ( -2.554 -0.019 0.000) 2.554 15.289 ( -4.306 1.650 0.000) 4.612======================= Grid point 3 (4/171) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 9.417 -11.248 0.000) 14.670 1.444 ( 17.617 -13.422 0.000) 22.148 1.868 ( 18.509 -5.581 0.000) 19.332 2.333 ( 6.204 11.498 0.000) 13.065 2.378 ( 0.329 10.081 0.000) 10.086 2.657 ( 8.133 -5.147 0.000) 9.625 2.793 ( 0.901 5.898 0.000) 5.966 2.876 ( 25.874 -0.417 0.000) 25.877 3.033 ( 9.290 1.114 0.000) 9.356 3.247 ( 10.234 7.655 0.000) 12.780 3.507 ( 21.358 -4.118 0.000) 21.751 3.566 ( 21.736 4.359 0.000) 22.169 3.611 ( 21.384 2.792 0.000) 21.565 3.998 ( 25.207 -13.369 0.000) 28.533 4.148 ( 18.219 -7.304 0.000) 19.629 4.450 ( 1.916 -1.380 0.000) 2.361 5.221 ( -9.866 10.365 0.000) 14.310 5.664 ( -9.882 9.102 0.000) 13.434 5.846 ( -1.562 -2.429 0.000) 2.888 5.909 ( -9.011 -5.061 0.000) 10.335 6.753 ( 13.390 3.276 0.000) 13.785 6.956 ( 5.273 1.849 0.000) 5.588 7.097 ( -6.888 -0.796 0.000) 6.934 7.383 ( -6.598 12.211 0.000) 13.879 7.659 ( 15.565 -0.798 0.000) 15.585 7.712 ( 8.962 -1.164 0.000) 9.037 7.750 ( 3.750 5.955 0.000) 7.037 7.948 ( -3.618 0.126 0.000) 3.620 8.287 ( -3.161 6.364 0.000) 7.106 8.479 ( 3.553 -3.664 0.000) 5.104 8.482 ( 9.613 -1.411 0.000) 9.716 8.997 ( 4.387 -2.210 0.000) 4.912 9.088 ( 4.644 3.153 0.000) 5.613 9.191 ( 3.542 7.702 0.000) 8.478 9.471 ( -3.200 -3.861 0.000) 5.015 9.632 ( -9.105 2.427 0.000) 9.423 11.546 ( -23.958 -2.195 0.000) 24.059 11.961 ( -31.288 -2.077 0.000) 31.357 13.624 ( -18.131 1.443 0.000) 18.188 14.149 ( -16.469 -3.675 0.000) 16.874 14.430 ( -4.440 4.417 0.000) 6.263 15.189 ( -4.567 2.734 0.000) 5.323======================= Grid point 4 (5/171) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.287 ( 5.798 -11.199 0.000) 12.611 1.787 ( 9.359 -10.438 0.000) 14.019 2.191 ( 4.073 7.711 0.000) 8.721 2.336 ( 10.656 3.388 0.000) 11.182 2.382 ( 5.948 10.484 0.000) 12.054 2.737 ( 0.604 -0.932 0.000) 1.110 2.753 ( -1.013 3.958 0.000) 4.085 3.126 ( -0.600 -7.713 0.000) 7.737 3.221 ( 3.895 4.330 0.000) 5.824 3.396 ( 17.026 -0.270 0.000) 17.028 3.939 ( 19.390 -2.898 0.000) 19.605 3.981 ( 17.932 10.212 0.000) 20.635 4.025 ( 16.597 -0.889 0.000) 16.620 4.294 ( 6.723 6.717 0.000) 9.504 4.621 ( 26.249 -13.513 0.000) 29.523 4.820 ( 23.296 -9.405 0.000) 25.122 4.988 ( -6.391 8.401 0.000) 10.555 5.394 ( -11.007 8.368 0.000) 13.827 5.770 ( -8.726 -7.172 0.000) 11.294 5.808 ( -3.478 -2.474 0.000) 4.268 6.875 ( -10.891 4.239 0.000) 11.686 7.020 ( 13.574 8.258 0.000) 15.889 7.095 ( 8.282 4.316 0.000) 9.339 7.145 ( -4.870 15.587 0.000) 16.330 7.757 ( -4.366 1.751 0.000) 4.704 7.863 ( 3.492 3.329 0.000) 4.825 7.911 ( 9.676 -1.758 0.000) 9.835 7.974 ( 12.370 -4.023 0.000) 13.007 8.228 ( 1.454 7.091 0.000) 7.238 8.580 ( -2.516 3.830 0.000) 4.583 8.585 ( 3.161 -7.240 0.000) 7.900 8.938 ( -8.226 -1.218 0.000) 8.316 9.109 ( -2.558 2.599 0.000) 3.647 9.316 ( 10.816 3.395 0.000) 11.337 9.440 ( -5.643 2.368 0.000) 6.120 9.506 ( 3.135 -1.364 0.000) 3.419 11.099 ( -20.884 1.028 0.000) 20.909 11.290 ( -36.558 -2.428 0.000) 36.638 13.267 ( -16.880 1.824 0.000) 16.978 13.857 ( -15.262 -5.125 0.000) 16.099 14.298 ( -5.010 6.063 0.000) 7.865 15.074 ( -5.132 3.430 0.000) 6.172======================= Grid point 5 (6/171) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( 3.858 -11.662 0.000) 12.283 1.949 ( 2.433 -8.312 0.000) 8.661 2.077 ( -3.250 13.503 0.000) 13.888 2.383 ( -0.730 11.695 0.000) 11.718 2.566 ( 7.056 4.157 0.000) 8.189 2.737 ( 1.080 -0.333 0.000) 1.130 2.812 ( 8.263 -1.704 0.000) 8.437 3.189 ( 3.895 -9.543 0.000) 10.307 3.258 ( 1.860 -1.540 0.000) 2.415 3.657 ( 8.506 4.874 0.000) 9.803 4.082 ( -2.732 -4.360 0.000) 5.146 4.109 ( 1.471 12.547 0.000) 12.633 4.317 ( 13.195 -0.608 0.000) 13.209 4.538 ( 18.113 10.743 0.000) 21.059 4.887 ( 1.446 -0.255 0.000) 1.468 5.168 ( -5.527 0.233 0.000) 5.532 5.188 ( 21.570 -8.313 0.000) 23.116 5.265 ( 11.232 -4.761 0.000) 12.200 5.679 ( -2.487 -7.331 0.000) 7.742 5.744 ( -4.452 -2.540 0.000) 5.126 6.663 ( -6.174 9.335 0.000) 11.191 6.840 ( -10.323 16.382 0.000) 19.363 7.170 ( 3.165 8.843 0.000) 9.392 7.328 ( 17.923 15.302 0.000) 23.566 7.709 ( 0.788 -3.847 0.000) 3.927 7.993 ( 10.108 4.330 0.000) 10.996 8.065 ( -0.196 -3.312 0.000) 3.317 8.120 ( 5.788 -0.428 0.000) 5.804 8.332 ( 9.615 -1.339 0.000) 9.708 8.409 ( -9.838 2.964 0.000) 10.275 8.657 ( -0.579 -8.545 0.000) 8.564 8.753 ( -10.828 -0.256 0.000) 10.831 8.987 ( -4.305 4.693 0.000) 6.368 9.429 ( -0.703 -1.231 0.000) 1.418 9.437 ( 3.563 -2.517 0.000) 4.363 9.601 ( 7.758 4.298 0.000) 8.869 10.597 ( -32.548 -1.759 0.000) 32.595 10.723 ( -16.367 3.713 0.000) 16.783 12.938 ( -14.430 3.584 0.000) 14.868 13.616 ( -11.907 -4.779 0.000) 12.830 14.185 ( -3.009 3.986 0.000) 4.994 14.954 ( -4.751 2.634 0.000) 5.432======================= Grid point 6 (7/171) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 2.706 -10.692 0.000) 11.029 1.942 ( -2.570 11.364 0.000) 11.651 2.025 ( 0.762 -8.602 0.000) 8.636 2.256 ( -3.300 12.016 0.000) 12.461 2.590 ( 0.538 4.251 0.000) 4.284 2.753 ( -0.741 -1.808 0.000) 1.954 3.047 ( 11.680 -4.647 0.000) 12.571 3.310 ( 1.924 -3.551 0.000) 4.039 3.396 ( 10.076 -6.581 0.000) 12.034 3.650 ( -4.018 10.378 0.000) 11.129 3.967 ( -6.971 8.574 0.000) 11.050 4.048 ( -2.137 -2.518 0.000) 3.303 4.490 ( 5.132 1.290 0.000) 5.292 4.805 ( 13.171 5.029 0.000) 14.099 4.947 ( 3.148 0.489 0.000) 3.186 5.104 ( -0.690 0.545 0.000) 0.879 5.315 ( -6.270 -5.072 0.000) 8.064 5.601 ( 14.360 -8.730 0.000) 16.805 5.672 ( -3.439 -1.205 0.000) 3.644 5.824 ( 9.319 -5.897 0.000) 11.028 6.503 ( -4.346 10.466 0.000) 11.333 6.530 ( -10.854 12.490 0.000) 16.547 7.168 ( 2.251 6.560 0.000) 6.935 7.565 ( 14.974 15.631 0.000) 21.646 7.795 ( 4.002 -3.875 0.000) 5.571 8.007 ( -4.353 -1.953 0.000) 4.771 8.154 ( 6.900 6.151 0.000) 9.243 8.241 ( -5.743 -5.536 0.000) 7.977 8.263 ( 4.163 -7.015 0.000) 8.158 8.433 ( -0.656 0.738 0.000) 0.988 8.529 ( -9.657 3.437 0.000) 10.250 8.765 ( 7.422 -8.641 0.000) 11.391 8.915 ( -1.384 2.244 0.000) 2.636 9.364 ( -4.230 0.534 0.000) 4.263 9.527 ( 0.759 -2.677 0.000) 2.783 9.710 ( 4.435 1.987 0.000) 4.860 10.091 ( -16.084 -1.058 0.000) 16.118 10.412 ( -12.146 5.698 0.000) 13.417 12.677 ( -8.912 3.419 0.000) 9.546 13.451 ( -6.792 -2.601 0.000) 7.273 14.134 ( -0.850 1.215 0.000) 1.483 14.867 ( -2.763 1.052 0.000) 2.957======================= Grid point 7 (8/171) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 0.000 -0.000 0.000) 0.000 1.869 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 -0.000 0.000) 0.000 2.162 ( 0.000 -0.000 0.000) 0.000 2.580 ( 0.000 -0.000 0.000) 0.000 2.748 ( -0.000 -0.000 0.000) 0.000 3.212 ( 0.000 -0.000 0.000) 0.000 3.405 ( -0.000 0.000 0.000) 0.000 3.472 ( 0.000 -0.000 0.000) 0.000 3.559 ( 0.000 -0.000 0.000) 0.000 3.830 ( 0.000 -0.000 0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 -0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 4.978 ( 0.000 -0.000 0.000) 0.000 5.099 ( 0.000 -0.000 0.000) 0.000 5.234 ( 0.000 -0.000 0.000) 0.000 5.639 ( 0.000 -0.000 0.000) 0.000 5.796 ( 0.000 -0.000 0.000) 0.000 5.967 ( 0.000 -0.000 0.000) 0.000 6.352 ( 0.000 -0.000 0.000) 0.000 6.405 ( 0.000 -0.000 0.000) 0.000 7.176 ( 0.000 -0.000 0.000) 0.000 7.689 ( 0.000 -0.000 0.000) 0.000 7.857 ( 0.000 -0.000 0.000) 0.000 7.954 ( 0.000 -0.000 0.000) 0.000 8.184 ( 0.000 0.000 0.000) 0.000 8.222 ( -0.000 -0.000 0.000) 0.000 8.341 ( 0.000 -0.000 0.000) 0.000 8.395 ( -0.000 0.000 0.000) 0.000 8.411 ( 0.000 -0.000 0.000) 0.000 8.879 ( 0.000 -0.000 0.000) 0.000 8.930 ( 0.000 -0.000 0.000) 0.000 9.312 ( 0.000 -0.000 0.000) 0.000 9.476 ( 0.000 -0.000 0.000) 0.000 9.748 ( 0.000 -0.000 0.000) 0.000 10.004 ( 0.000 -0.000 0.000) 0.000 10.233 ( 0.000 -0.000 0.000) 0.000 12.574 ( 0.000 -0.000 0.000) 0.000 13.390 ( 0.000 -0.000 0.000) 0.000 14.124 ( 0.000 -0.000 0.000) 0.000 14.836 ( 0.000 -0.000 0.000) 0.000======================= Grid point 16 (9/171) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( 15.822 0.000 0.000) 15.822 0.844 ( 25.354 0.000 0.000) 25.354 1.461 ( 15.163 0.000 0.000) 15.163 2.032 ( 40.860 0.000 0.000) 40.860 2.180 ( 29.310 0.000 0.000) 29.310 2.288 ( 14.680 0.000 0.000) 14.680 2.570 ( 11.900 0.000 0.000) 11.900 2.886 ( -0.668 -0.000 0.000) 0.668 2.918 ( 4.680 0.000 0.000) 4.680 2.924 ( 21.546 0.000 0.000) 21.546 2.943 ( 22.800 0.000 0.000) 22.800 3.093 ( 29.648 0.000 0.000) 29.648 3.528 ( -2.325 -0.000 0.000) 2.325 3.578 ( 1.918 0.000 0.000) 1.918 3.669 ( 17.426 0.000 0.000) 17.426 4.514 ( -4.793 -0.000 0.000) 4.793 5.533 ( -9.065 -0.000 0.000) 9.065 5.799 ( 2.485 0.000 0.000) 2.485 5.899 ( -5.773 -0.000 0.000) 5.773 6.060 ( -9.138 -0.000 0.000) 9.138 6.587 ( 4.550 0.000 0.000) 4.550 6.865 ( 31.871 0.000 0.000) 31.871 6.961 ( -3.562 -0.000 0.000) 3.562 7.329 ( 13.344 0.000 0.000) 13.344 7.423 ( 13.799 0.000 0.000) 13.799 7.773 ( 0.754 0.000 0.000) 0.754 7.804 ( -12.810 -0.000 0.000) 12.810 7.932 ( -4.155 -0.000 0.000) 4.155 8.408 ( 1.685 0.000 0.000) 1.685 8.428 ( -4.669 -0.000 0.000) 4.669 8.430 ( -4.344 -0.000 0.000) 4.344 8.773 ( 12.773 0.000 0.000) 12.773 9.043 ( 3.780 0.000 0.000) 3.780 9.179 ( 3.963 0.000 0.000) 3.963 9.586 ( -7.958 -0.000 0.000) 7.958 9.772 ( -3.443 -0.000 0.000) 3.443 11.958 ( -20.243 -0.000 0.000) 20.243 12.459 ( -21.199 -0.000 0.000) 21.199 13.993 ( -16.507 -0.000 0.000) 16.507 14.428 ( -14.116 -0.000 0.000) 14.116 14.510 ( -0.828 -0.000 0.000) 0.828 15.299 ( -4.266 -0.000 0.000) 4.266======================= Grid point 17 (10/171) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.978 ( 10.982 -4.225 0.000) 11.766 1.329 ( 20.645 -5.140 0.000) 21.275 1.823 ( 20.009 -1.952 0.000) 20.104 2.462 ( 2.974 3.671 0.000) 4.724 2.463 ( 7.003 9.959 0.000) 12.175 2.575 ( 7.719 -8.086 0.000) 11.178 2.853 ( -1.172 3.376 0.000) 3.573 2.873 ( 25.834 -0.101 0.000) 25.834 3.029 ( 2.382 -0.997 0.000) 2.582 3.321 ( 11.550 3.231 0.000) 11.993 3.501 ( 18.641 3.601 0.000) 18.985 3.565 ( 21.701 -3.966 0.000) 22.060 3.669 ( 27.759 5.834 0.000) 28.365 3.852 ( 24.542 -9.697 0.000) 26.388 4.092 ( 22.682 -2.099 0.000) 22.779 4.437 ( -1.180 -0.597 0.000) 1.322 5.312 ( -11.367 4.193 0.000) 12.115 5.751 ( -8.415 5.013 0.000) 9.795 5.823 ( -0.961 -1.205 0.000) 1.542 5.853 ( -11.744 -3.746 0.000) 12.327 6.777 ( 14.147 0.855 0.000) 14.173 6.968 ( 4.891 0.384 0.000) 4.906 7.084 ( -5.440 -0.752 0.000) 5.492 7.495 ( -5.691 5.424 0.000) 7.862 7.658 ( 12.316 0.981 0.000) 12.355 7.694 ( 9.891 -1.948 0.000) 10.081 7.807 ( 3.704 2.888 0.000) 4.697 7.948 ( -3.083 -0.145 0.000) 3.087 8.347 ( -1.809 3.254 0.000) 3.723 8.439 ( 0.975 -2.529 0.000) 2.710 8.474 ( 11.264 -0.229 0.000) 11.267 8.976 ( 5.238 -1.051 0.000) 5.342 9.112 ( 3.257 0.983 0.000) 3.402 9.269 ( 6.260 4.474 0.000) 7.694 9.425 ( -6.537 -3.068 0.000) 7.221 9.655 ( -8.230 1.116 0.000) 8.305 11.527 ( -22.591 -0.824 0.000) 22.607 11.943 ( -31.069 -0.815 0.000) 31.080 13.636 ( -18.482 0.499 0.000) 18.489 14.119 ( -16.789 -1.329 0.000) 16.842 14.465 ( -3.555 1.487 0.000) 3.854 15.211 ( -4.438 0.949 0.000) 4.539======================= Grid point 18 (11/171) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.181 ( 6.615 -6.300 0.000) 9.135 1.688 ( 11.769 -5.880 0.000) 13.157 2.230 ( 17.644 0.486 0.000) 17.651 2.416 ( -0.485 7.407 0.000) 7.423 2.498 ( 3.950 8.827 0.000) 9.671 2.698 ( 2.526 -5.069 0.000) 5.663 2.801 ( -1.624 4.145 0.000) 4.452 3.026 ( -3.548 -8.300 0.000) 9.026 3.288 ( 1.547 5.991 0.000) 6.188 3.387 ( 17.738 -1.172 0.000) 17.777 3.911 ( 20.354 -1.415 0.000) 20.403 3.984 ( 9.630 -4.445 0.000) 10.606 4.116 ( 21.453 12.209 0.000) 24.684 4.415 ( 16.212 12.000 0.000) 20.169 4.453 ( 24.286 -14.139 0.000) 28.102 4.699 ( 21.753 -10.802 0.000) 24.288 5.074 ( -7.620 5.410 0.000) 9.345 5.489 ( -12.588 7.429 0.000) 14.617 5.682 ( -9.369 -7.256 0.000) 11.850 5.780 ( -3.802 -1.941 0.000) 4.269 6.909 ( -8.877 1.713 0.000) 9.041 7.094 ( 17.301 4.139 0.000) 17.790 7.128 ( 10.052 1.435 0.000) 10.154 7.296 ( -6.479 9.049 0.000) 11.129 7.780 ( -8.066 1.989 0.000) 8.307 7.892 ( 8.316 -0.820 0.000) 8.356 7.900 ( 5.507 2.154 0.000) 5.913 7.943 ( 13.412 -1.666 0.000) 13.515 8.316 ( 1.053 7.396 0.000) 7.470 8.495 ( 1.871 -7.690 0.000) 7.915 8.633 ( 1.104 4.414 0.000) 4.550 8.910 ( -10.630 -2.816 0.000) 10.997 9.138 ( -0.711 2.037 0.000) 2.157 9.351 ( 5.470 2.117 0.000) 5.866 9.459 ( -8.825 0.897 0.000) 8.871 9.493 ( 8.508 -0.830 0.000) 8.548 11.108 ( -19.275 0.543 0.000) 19.283 11.263 ( -37.121 -1.790 0.000) 37.164 13.285 ( -16.171 1.119 0.000) 16.210 13.808 ( -15.243 -2.927 0.000) 15.522 14.355 ( -5.796 3.243 0.000) 6.641 15.106 ( -5.426 1.861 0.000) 5.736======================= Grid point 19 (12/171) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 4.308 -8.111 0.000) 9.184 1.867 ( 3.610 -5.371 0.000) 6.472 2.236 ( -3.393 12.792 0.000) 13.234 2.498 ( -0.445 7.426 0.000) 7.439 2.592 ( 8.467 -0.878 0.000) 8.512 2.750 ( -0.967 3.474 0.000) 3.606 2.794 ( 6.943 -1.241 0.000) 7.054 3.069 ( 4.619 -10.297 0.000) 11.286 3.254 ( 0.054 0.859 0.000) 0.861 3.697 ( 10.471 1.958 0.000) 10.653 4.029 ( -1.237 -4.114 0.000) 4.296 4.264 ( -0.165 13.011 0.000) 13.012 4.306 ( 15.426 -1.118 0.000) 15.467 4.679 ( 14.288 12.165 0.000) 18.765 4.832 ( 6.406 -8.702 0.000) 10.805 5.106 ( 6.438 -8.389 0.000) 10.575 5.131 ( 16.227 -1.271 0.000) 16.277 5.276 ( -0.011 4.711 0.000) 4.711 5.582 ( -3.167 -8.548 0.000) 9.116 5.712 ( -4.138 -2.511 0.000) 4.840 6.754 ( -4.439 5.806 0.000) 7.308 7.028 ( -9.896 14.529 0.000) 17.579 7.272 ( 5.465 7.708 0.000) 9.448 7.456 ( 16.371 5.241 0.000) 17.190 7.676 ( -0.533 -1.430 0.000) 1.526 8.009 ( 4.445 -1.531 0.000) 4.701 8.028 ( 3.197 -1.359 0.000) 3.474 8.116 ( 2.651 -0.610 0.000) 2.720 8.351 ( 8.442 3.677 0.000) 9.208 8.474 ( -9.033 7.732 0.000) 11.890 8.568 ( 0.398 -6.287 0.000) 6.300 8.730 ( -9.653 -3.551 0.000) 10.285 9.050 ( -3.838 5.975 0.000) 7.101 9.387 ( 0.010 -5.855 0.000) 5.855 9.417 ( 0.464 -0.853 0.000) 0.971 9.648 ( 7.043 3.310 0.000) 7.782 10.565 ( -32.882 -2.943 0.000) 33.013 10.761 ( -15.120 2.603 0.000) 15.343 12.985 ( -12.729 3.790 0.000) 13.282 13.568 ( -10.700 -3.260 0.000) 11.185 14.221 ( -5.453 2.088 0.000) 5.839 14.980 ( -5.828 1.658 0.000) 6.059======================= Grid point 20 (13/171) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 3.550 -9.427 0.000) 10.073 1.934 ( 0.531 -6.339 0.000) 6.361 2.089 ( -3.532 12.488 0.000) 12.977 2.396 ( -3.262 10.919 0.000) 11.396 2.626 ( -2.394 0.408 0.000) 2.428 2.734 ( 0.139 -0.219 0.000) 0.259 2.992 ( 10.242 -4.750 0.000) 11.290 3.276 ( 1.291 -1.795 0.000) 2.211 3.315 ( 12.034 -6.716 0.000) 13.781 3.747 ( -3.119 5.726 0.000) 6.520 4.024 ( -0.470 -1.166 0.000) 1.258 4.067 ( -10.168 7.759 0.000) 12.790 4.511 ( 5.393 2.181 0.000) 5.817 4.813 ( 3.988 -3.413 0.000) 5.249 4.959 ( 4.499 1.424 0.000) 4.719 5.160 ( 5.458 8.642 0.000) 10.222 5.267 ( -4.572 -2.745 0.000) 5.333 5.483 ( 12.870 -10.169 0.000) 16.403 5.657 ( -1.966 -1.238 0.000) 2.323 5.735 ( 9.254 -8.892 0.000) 12.833 6.635 ( -3.790 10.633 0.000) 11.288 6.699 ( -12.939 15.363 0.000) 20.086 7.255 ( -0.973 8.273 0.000) 8.330 7.645 ( 1.246 -3.600 0.000) 3.810 7.752 ( 4.840 -3.164 0.000) 5.782 7.995 ( -2.701 1.349 0.000) 3.019 8.049 ( -4.349 -14.256 0.000) 14.904 8.213 ( 6.146 -0.771 0.000) 6.194 8.328 ( -0.488 10.590 0.000) 10.601 8.484 ( 5.243 6.686 0.000) 8.497 8.560 ( -7.016 1.729 0.000) 7.226 8.671 ( 8.820 -6.870 0.000) 11.179 8.957 ( -2.622 4.949 0.000) 5.600 9.381 ( -2.780 2.072 0.000) 3.467 9.473 ( 2.628 -6.833 0.000) 7.321 9.728 ( 2.551 1.056 0.000) 2.760 10.062 ( -18.080 -3.147 0.000) 18.352 10.467 ( -12.838 3.598 0.000) 13.333 12.743 ( -7.956 6.868 0.000) 10.510 13.428 ( -4.761 -1.308 0.000) 4.937 14.132 ( -3.197 -1.297 0.000) 3.450 14.873 ( -4.008 0.133 0.000) 4.010======================= Grid point 21 (14/171) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 3.241 -8.997 0.000) 9.563 1.953 ( -3.022 10.811 0.000) 11.225 1.990 ( 0.962 -8.712 0.000) 8.765 2.270 ( -2.224 11.877 0.000) 12.083 2.570 ( -2.885 -1.641 0.000) 3.319 2.746 ( 0.902 -0.183 0.000) 0.920 3.203 ( 5.305 -3.078 0.000) 6.134 3.321 ( 2.299 -6.746 0.000) 7.127 3.536 ( 4.912 -3.404 0.000) 5.976 3.549 ( -10.417 7.085 0.000) 12.598 3.848 ( -6.433 2.656 0.000) 6.960 4.039 ( 1.835 0.771 0.000) 1.990 4.540 ( -0.628 0.978 0.000) 1.162 4.863 ( -5.043 -10.100 0.000) 11.289 4.993 ( 0.277 2.386 0.000) 2.402 5.157 ( -1.497 4.723 0.000) 4.955 5.265 ( 6.694 6.322 0.000) 9.207 5.625 ( 0.342 -2.967 0.000) 2.986 5.747 ( 4.277 -6.438 0.000) 7.730 5.925 ( 3.540 -6.325 0.000) 7.248 6.407 ( -6.985 8.616 0.000) 11.092 6.468 ( -5.382 9.436 0.000) 10.864 7.171 ( -4.894 -0.942 0.000) 4.984 7.545 ( -16.076 -19.852 0.000) 25.545 7.852 ( 3.355 -0.705 0.000) 3.428 7.981 ( 2.347 3.027 0.000) 3.831 8.055 ( -5.197 -12.939 0.000) 13.944 8.288 ( 3.957 3.518 0.000) 5.295 8.346 ( 5.672 0.145 0.000) 5.674 8.452 ( -2.898 5.936 0.000) 6.606 8.492 ( 2.360 13.957 0.000) 14.156 8.883 ( -1.735 -0.813 0.000) 1.916 8.925 ( 8.943 1.047 0.000) 9.004 9.332 ( 0.444 3.175 0.000) 3.206 9.487 ( -0.219 1.350 0.000) 1.368 9.739 ( -1.501 -1.332 0.000) 2.006 9.951 ( 1.062 -8.104 0.000) 8.173 10.237 ( -6.795 0.354 0.000) 6.804 12.615 ( -0.272 6.398 0.000) 6.403 13.399 ( 2.011 1.477 0.000) 2.495 14.102 ( -1.594 -3.474 0.000) 3.822 14.828 ( -0.924 -1.270 0.000) 1.571======================= Grid point 22 (15/171) =======================q-point: (-0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( 1.275 0.212 0.000) 1.292 1.860 ( -1.186 1.194 0.000) 1.683 2.078 ( 2.124 -7.531 0.000) 7.824 2.177 ( -0.796 6.777 0.000) 6.823 2.539 ( -2.064 -4.037 0.000) 4.534 2.764 ( 0.350 -0.127 0.000) 0.372 3.105 ( -11.614 5.142 0.000) 12.702 3.350 ( -2.806 2.534 0.000) 3.781 3.467 ( -7.910 5.207 0.000) 9.470 3.508 ( 3.896 -12.675 0.000) 13.261 3.869 ( 3.903 -7.576 0.000) 8.522 4.080 ( 3.186 2.768 0.000) 4.221 4.480 ( -5.363 -0.365 0.000) 5.375 4.718 ( -14.124 -8.224 0.000) 16.344 4.946 ( -3.926 0.358 0.000) 3.943 5.120 ( -0.171 2.103 0.000) 2.110 5.383 ( 7.404 6.152 0.000) 9.626 5.660 ( -4.601 0.169 0.000) 4.604 5.698 ( -3.235 3.352 0.000) 4.658 5.873 ( -8.443 2.195 0.000) 8.724 6.410 ( 1.669 -4.149 0.000) 4.472 6.413 ( 6.943 -6.549 0.000) 9.544 7.090 ( -4.951 -6.768 0.000) 8.386 7.325 ( -18.061 -22.768 0.000) 29.062 7.841 ( -3.502 3.575 0.000) 5.005 8.026 ( 3.267 1.508 0.000) 3.599 8.028 ( -3.970 -10.335 0.000) 11.071 8.317 ( -7.419 1.043 0.000) 7.492 8.343 ( -0.555 7.652 0.000) 7.672 8.480 ( 10.884 -4.711 0.000) 11.860 8.495 ( 3.933 10.287 0.000) 11.013 8.857 ( -0.487 4.072 0.000) 4.101 8.919 ( -3.675 5.626 0.000) 6.720 9.372 ( 4.544 1.783 0.000) 4.881 9.551 ( 0.643 1.894 0.000) 2.000 9.682 ( -5.672 -2.682 0.000) 6.274 10.075 ( 14.324 -4.067 0.000) 14.890 10.329 ( 11.422 -8.133 0.000) 14.021 12.671 ( 8.594 2.458 0.000) 8.939 13.489 ( 8.506 3.726 0.000) 9.286 14.101 ( -0.898 -4.239 0.000) 4.334 14.848 ( 1.764 -2.094 0.000) 2.738======================= Grid point 23 (16/171) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( -2.895 12.654 0.000) 12.981 1.923 ( 2.582 -11.817 0.000) 12.096 2.062 ( -1.142 10.259 0.000) 10.322 2.229 ( 0.760 -13.315 0.000) 13.337 2.514 ( -4.470 -4.218 0.000) 6.146 2.737 ( -3.402 -0.765 0.000) 3.487 2.836 ( -10.852 2.569 0.000) 11.151 3.287 ( -2.643 2.979 0.000) 3.983 3.294 ( -3.984 8.023 0.000) 8.958 3.576 ( -5.395 -8.998 0.000) 10.492 3.968 ( -1.606 -11.039 0.000) 11.155 4.124 ( 2.239 2.447 0.000) 3.317 4.318 ( -11.801 -0.463 0.000) 11.810 4.436 ( -17.675 -5.960 0.000) 18.652 4.859 ( -4.674 -4.027 0.000) 6.170 5.139 ( 2.615 -3.029 0.000) 4.001 5.307 ( -19.981 10.579 0.000) 22.609 5.348 ( -10.830 7.419 0.000) 13.127 5.753 ( 2.630 5.027 0.000) 5.673 5.768 ( 4.587 1.401 0.000) 4.796 6.541 ( 6.891 -10.338 0.000) 12.424 6.650 ( 9.089 -14.844 0.000) 17.406 7.065 ( -2.957 -8.788 0.000) 9.272 7.115 ( -16.122 -19.520 0.000) 25.317 7.754 ( -2.291 2.430 0.000) 3.340 7.932 ( -8.529 -3.660 0.000) 9.281 8.079 ( 1.950 -0.253 0.000) 1.966 8.135 ( -9.450 1.533 0.000) 9.573 8.388 ( -9.820 7.333 0.000) 12.256 8.396 ( 7.348 0.134 0.000) 7.350 8.734 ( 11.088 -3.479 0.000) 11.621 8.770 ( -1.213 9.990 0.000) 10.063 8.941 ( 5.354 -2.487 0.000) 5.904 9.445 ( 1.244 1.347 0.000) 1.834 9.449 ( -6.469 -0.313 0.000) 6.477 9.551 ( -7.988 -3.844 0.000) 8.864 10.593 ( 30.344 -2.613 0.000) 30.457 10.676 ( 20.523 -4.111 0.000) 20.931 12.908 ( 15.025 -1.032 0.000) 15.060 13.678 ( 13.005 5.445 0.000) 14.098 14.126 ( 0.780 -5.820 0.000) 5.872 14.918 ( 3.657 -3.284 0.000) 4.915======================= Grid point 24 (17/171) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( -4.766 14.120 0.000) 14.903 1.930 ( -6.308 13.201 0.000) 14.631 2.057 ( 2.687 -13.012 0.000) 13.286 2.251 ( -6.053 -11.365 0.000) 12.876 2.336 ( -13.724 1.979 0.000) 13.865 2.703 ( -0.772 -4.505 0.000) 4.570 2.718 ( -1.632 -3.698 0.000) 4.042 3.194 ( -6.745 -0.295 0.000) 6.751 3.203 ( -3.425 5.098 0.000) 6.142 3.391 ( -14.835 -1.456 0.000) 14.906 3.875 ( -13.274 -7.479 0.000) 15.236 3.951 ( -22.649 -3.629 0.000) 22.938 4.010 ( -19.304 0.604 0.000) 19.313 4.275 ( 2.859 2.505 0.000) 3.801 4.749 ( -24.904 4.443 0.000) 25.297 4.904 ( 1.567 -1.916 0.000) 2.475 4.922 ( -24.014 7.627 0.000) 25.196 5.291 ( 8.135 -8.683 0.000) 11.899 5.835 ( 3.273 1.993 0.000) 3.832 5.849 ( 7.982 5.879 0.000) 9.913 6.802 ( 13.156 -8.009 0.000) 15.402 6.900 ( -9.382 -11.535 0.000) 14.868 6.941 ( 4.710 -17.867 0.000) 18.478 7.025 ( -6.720 -7.229 0.000) 9.870 7.721 ( -3.327 -4.628 0.000) 5.700 7.855 ( 3.243 3.034 0.000) 4.441 7.921 ( -11.791 -0.175 0.000) 11.792 8.044 ( -10.166 7.368 0.000) 12.555 8.157 ( -3.955 -4.152 0.000) 5.734 8.546 ( 4.971 -1.876 0.000) 5.313 8.661 ( -5.459 5.191 0.000) 7.533 8.931 ( 6.644 -2.489 0.000) 7.095 9.080 ( 2.850 -2.142 0.000) 3.565 9.278 ( -13.366 -2.731 0.000) 13.642 9.406 ( 4.053 -2.900 0.000) 4.984 9.522 ( 0.022 1.105 0.000) 1.106 11.084 ( 23.423 -1.284 0.000) 23.458 11.313 ( 36.221 1.198 0.000) 36.241 13.244 ( 17.366 -1.762 0.000) 17.455 13.926 ( 15.278 6.139 0.000) 16.466 14.213 ( 3.942 -7.967 0.000) 8.889 15.026 ( 4.688 -4.405 0.000) 6.433======================= Grid point 25 (18/171) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( -7.317 15.423 0.000) 17.071 1.634 ( -13.632 17.675 0.000) 22.321 1.952 ( -15.331 8.105 0.000) 17.341 2.194 ( -6.062 -11.457 0.000) 12.961 2.234 ( 1.313 -13.299 0.000) 13.364 2.684 ( -7.184 -1.245 0.000) 7.291 2.720 ( -3.071 -6.346 0.000) 7.050 2.883 ( -24.665 0.500 0.000) 24.670 2.999 ( -17.003 -4.198 0.000) 17.514 3.177 ( -10.696 -3.256 0.000) 11.181 3.468 ( -24.026 -10.317 0.000) 26.148 3.583 ( -20.750 7.589 0.000) 22.095 3.604 ( -15.216 1.240 0.000) 15.267 4.154 ( -24.553 12.151 0.000) 27.395 4.256 ( -12.919 10.194 0.000) 16.457 4.467 ( -6.441 1.493 0.000) 6.611 5.078 ( 7.626 -12.940 0.000) 15.020 5.536 ( 9.177 -12.293 0.000) 15.341 5.877 ( 2.311 2.740 0.000) 3.584 5.970 ( 7.520 5.021 0.000) 9.042 6.696 ( -12.062 -6.298 0.000) 13.608 6.918 ( -6.068 -4.801 0.000) 7.738 7.089 ( 9.220 -2.579 0.000) 9.574 7.224 ( 8.473 -13.994 0.000) 16.359 7.664 ( -14.724 -0.425 0.000) 14.730 7.680 ( -2.533 -5.231 0.000) 5.812 7.733 ( -13.529 2.860 0.000) 13.828 7.953 ( 3.519 1.433 0.000) 3.799 8.206 ( 3.455 -6.737 0.000) 7.571 8.511 ( -7.077 3.398 0.000) 7.850 8.518 ( -5.733 2.693 0.000) 6.334 9.017 ( -1.280 0.099 0.000) 1.284 9.034 ( -7.340 -5.875 0.000) 9.402 9.101 ( -4.150 -6.429 0.000) 7.652 9.510 ( 1.391 2.565 0.000) 2.917 9.606 ( 10.833 -1.466 0.000) 10.932 11.577 ( 26.165 3.062 0.000) 26.344 11.988 ( 31.743 2.248 0.000) 31.823 13.603 ( 17.536 -2.102 0.000) 17.661 14.203 ( 15.949 5.209 0.000) 16.778 14.361 ( 5.759 -6.967 0.000) 9.039 15.147 ( 4.765 -4.147 0.000) 6.317======================= Grid point 26 (19/171) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.961 ( -10.000 18.422 0.000) 20.961 1.218 ( -14.806 24.027 0.000) 28.223 1.608 ( -12.078 11.729 0.000) 16.835 2.035 ( -24.782 -3.030 0.000) 24.966 2.155 ( -25.221 -2.157 0.000) 25.314 2.294 ( -21.049 3.090 0.000) 21.274 2.504 ( -15.282 -3.893 0.000) 15.770 2.557 ( -8.287 -18.933 0.000) 20.667 2.746 ( -26.479 -8.705 0.000) 27.873 2.852 ( -1.937 -6.433 0.000) 6.718 3.088 ( -22.385 10.008 0.000) 24.520 3.160 ( -26.961 4.096 0.000) 27.270 3.394 ( 0.580 -12.973 0.000) 12.986 3.803 ( -3.618 13.024 0.000) 13.517 3.840 ( -14.466 11.173 0.000) 18.278 4.515 ( 4.899 1.062 0.000) 5.013 5.310 ( 6.671 -14.863 0.000) 16.292 5.766 ( 6.239 -11.162 0.000) 12.787 5.884 ( 0.300 4.602 0.000) 4.612 6.092 ( 7.360 2.974 0.000) 7.938 6.518 ( -9.404 -6.044 0.000) 11.179 6.844 ( -12.752 -6.466 0.000) 14.298 7.004 ( -11.456 6.709 0.000) 13.276 7.262 ( -12.342 -6.513 0.000) 13.955 7.346 ( -15.671 0.055 0.000) 15.671 7.678 ( 6.712 -9.435 0.000) 11.579 7.725 ( 3.263 -1.729 0.000) 3.693 7.941 ( 1.680 -0.748 0.000) 1.840 8.342 ( 3.115 -7.719 0.000) 8.324 8.437 ( 1.168 2.461 0.000) 2.724 8.442 ( 2.104 1.948 0.000) 2.868 8.842 ( -11.034 4.539 0.000) 11.931 8.918 ( -8.334 -9.371 0.000) 12.541 9.133 ( 0.010 -3.072 0.000) 3.072 9.583 ( 5.953 -0.500 0.000) 5.973 9.778 ( 5.926 0.921 0.000) 5.997 12.040 ( 22.122 5.768 0.000) 22.862 12.507 ( 21.976 3.468 0.000) 22.248 13.948 ( 14.768 -3.261 0.000) 15.124 14.477 ( 13.851 3.847 0.000) 14.376 14.503 ( 5.859 -1.835 0.000) 6.140 15.260 ( 4.435 -3.114 0.000) 5.419======================= Grid point 27 (20/171) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.639 ( -8.903 24.052 0.000) 25.647 0.792 ( -12.519 28.795 0.000) 31.399 1.235 ( -41.352 18.000 0.000) 45.099 1.356 ( -6.764 12.002 0.000) 13.776 1.461 ( -35.688 1.887 0.000) 35.738 1.971 ( -14.700 -0.464 0.000) 14.707 2.163 ( -18.080 -3.496 0.000) 18.415 2.548 ( -4.412 -17.602 0.000) 18.146 2.552 ( -16.312 -3.427 0.000) 16.668 2.624 ( -17.486 5.905 0.000) 18.456 2.687 ( -4.414 -14.036 0.000) 14.714 2.906 ( 0.134 -3.612 0.000) 3.615 3.498 ( 2.752 -6.781 0.000) 7.318 3.592 ( -3.978 11.417 0.000) 12.090 3.727 ( 1.343 11.044 0.000) 11.125 4.595 ( 3.512 1.021 0.000) 3.657 5.499 ( 3.503 -13.693 0.000) 14.134 5.825 ( -4.233 4.429 0.000) 6.127 5.875 ( -3.599 -8.795 0.000) 9.503 6.198 ( 1.266 -2.551 0.000) 2.848 6.220 ( -30.375 13.764 0.000) 33.348 6.411 ( -6.851 -14.355 0.000) 15.906 6.987 ( -16.843 -4.874 0.000) 17.534 7.026 ( 4.949 -2.856 0.000) 5.714 7.089 ( -9.846 -1.433 0.000) 9.950 7.775 ( 2.387 -0.950 0.000) 2.569 7.940 ( 12.655 -10.242 0.000) 16.280 8.072 ( 5.235 -5.434 0.000) 7.545 8.349 ( -2.617 -4.751 0.000) 5.424 8.467 ( 0.183 0.813 0.000) 0.833 8.551 ( 6.743 2.814 0.000) 7.307 8.620 ( -6.433 6.193 0.000) 8.929 8.830 ( -7.410 -12.902 0.000) 14.879 9.116 ( -1.786 0.877 0.000) 1.990 9.699 ( 4.234 -1.125 0.000) 4.381 9.837 ( 1.636 2.844 0.000) 3.281 12.348 ( 11.935 5.960 0.000) 13.340 12.808 ( 10.516 3.647 0.000) 11.131 14.169 ( 3.867 -4.720 0.000) 6.102 14.644 ( 10.832 5.453 0.000) 12.127 14.679 ( 8.043 3.021 0.000) 8.592 15.355 ( 3.171 -2.391 0.000) 3.972======================= Grid point 28 (21/171) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.274 ( -0.000 22.501 0.000) 22.501 0.368 ( -0.000 30.417 0.000) 30.417 0.584 ( -0.000 48.605 0.000) 48.605 0.980 ( -0.000 2.278 0.000) 2.278 1.241 ( -0.000 10.704 0.000) 10.704 1.804 ( 0.000 -0.461 0.000) 0.461 1.980 ( 0.000 -2.507 0.000) 2.507 2.332 ( -0.000 0.425 0.000) 0.425 2.401 ( -0.000 2.515 0.000) 2.515 2.624 ( 0.000 -16.649 0.000) 16.649 2.781 ( 0.000 -15.412 0.000) 15.412 2.930 ( 0.000 -1.912 0.000) 1.912 3.480 ( -0.000 12.494 0.000) 12.494 3.637 ( 0.000 -8.279 0.000) 8.279 3.689 ( -0.000 8.217 0.000) 8.217 4.636 ( -0.000 1.454 0.000) 1.454 5.538 ( -0.000 4.717 0.000) 4.717 5.610 ( 0.000 -10.708 0.000) 10.708 5.654 ( -0.000 4.193 0.000) 4.193 5.869 ( -0.000 15.390 0.000) 15.390 6.183 ( 0.000 -10.000 0.000) 10.000 6.367 ( -0.000 3.670 0.000) 3.670 6.796 ( 0.000 -0.090 0.000) 0.090 6.998 ( 0.000 -1.488 0.000) 1.488 7.105 ( 0.000 -3.235 0.000) 3.235 7.817 ( 0.000 -0.092 0.000) 0.092 8.160 ( 0.000 -11.338 0.000) 11.338 8.279 ( 0.000 -9.420 0.000) 9.420 8.297 ( 0.000 -7.192 0.000) 7.192 8.457 ( -0.000 8.063 0.000) 8.063 8.519 ( -0.000 2.879 0.000) 2.879 8.593 ( -0.000 6.973 0.000) 6.973 8.775 ( 0.000 -10.509 0.000) 10.509 9.085 ( -0.000 1.087 0.000) 1.087 9.747 ( 0.000 -0.554 0.000) 0.554 9.831 ( -0.000 2.893 0.000) 2.893 12.432 ( -0.000 4.185 0.000) 4.185 12.880 ( -0.000 3.449 0.000) 3.449 14.177 ( 0.000 -0.942 0.000) 0.942 14.745 ( -0.000 2.209 0.000) 2.209 14.851 ( 0.000 -1.258 0.000) 1.258 15.401 ( 0.000 -1.725 0.000) 1.725======================= Grid point 31 (22/171) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 6.941 0.000 0.000) 6.941 1.652 ( 12.702 0.000 0.000) 12.702 2.231 ( 20.523 0.000 0.000) 20.523 2.466 ( -2.542 -0.000 0.000) 2.542 2.572 ( 0.086 0.000 0.000) 0.086 2.646 ( 6.393 0.000 0.000) 6.393 2.838 ( -0.601 -0.000 0.000) 0.601 2.961 ( -5.729 -0.000 0.000) 5.729 3.336 ( -3.699 -0.000 0.000) 3.699 3.372 ( 22.135 0.000 0.000) 22.135 3.905 ( 21.819 0.000 0.000) 21.819 3.950 ( 7.340 0.000 0.000) 7.340 4.244 ( 25.593 0.000 0.000) 25.593 4.314 ( 20.717 0.000 0.000) 20.717 4.553 ( 23.129 0.000 0.000) 23.129 4.570 ( 16.537 0.000 0.000) 16.537 5.107 ( -8.207 -0.000 0.000) 8.207 5.555 ( -14.755 -0.000 0.000) 14.755 5.617 ( -7.979 -0.000 0.000) 7.979 5.768 ( -3.910 -0.000 0.000) 3.910 6.919 ( -8.141 -0.000 0.000) 8.141 7.119 ( 18.912 0.000 0.000) 18.912 7.135 ( 10.764 0.000 0.000) 10.764 7.351 ( -7.808 -0.000 0.000) 7.808 7.794 ( -8.845 -0.000 0.000) 8.845 7.890 ( 8.430 0.000 0.000) 8.430 7.912 ( 5.549 0.000 0.000) 5.549 7.931 ( 13.536 0.000 0.000) 13.536 8.401 ( 5.159 0.000 0.000) 5.159 8.407 ( -2.575 -0.000 0.000) 2.575 8.665 ( 3.930 0.000 0.000) 3.930 8.889 ( -12.882 -0.000 0.000) 12.882 9.151 ( 0.356 0.000 0.000) 0.356 9.364 ( 2.106 0.000 0.000) 2.106 9.464 ( -10.504 -0.000 0.000) 10.504 9.488 ( 11.835 0.000 0.000) 11.835 11.111 ( -18.723 -0.000 0.000) 18.723 11.252 ( -37.382 -0.000 0.000) 37.382 13.292 ( -15.847 -0.000 0.000) 15.847 13.790 ( -15.235 -0.000 0.000) 15.235 14.374 ( -6.082 -0.000 0.000) 6.082 15.117 ( -5.528 -0.000 0.000) 5.528======================= Grid point 32 (23/171) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.262 ( 4.532 -2.922 0.000) 5.392 1.823 ( 4.368 -1.874 0.000) 4.753 2.369 ( -3.801 8.118 0.000) 8.964 2.550 ( 6.631 -4.538 0.000) 8.035 2.557 ( -0.540 2.445 0.000) 2.504 2.783 ( 7.057 -0.514 0.000) 7.076 2.819 ( -1.452 7.040 0.000) 7.188 2.950 ( 7.361 -8.861 0.000) 11.519 3.269 ( -1.820 0.991 0.000) 2.073 3.709 ( 11.013 0.315 0.000) 11.017 3.993 ( 0.500 -1.605 0.000) 1.681 4.295 ( 16.667 -0.565 0.000) 16.677 4.403 ( -5.723 8.669 0.000) 10.387 4.718 ( 16.135 -7.981 0.000) 18.001 4.811 ( 6.788 8.619 0.000) 10.971 5.006 ( 15.418 -7.221 0.000) 17.025 5.133 ( 10.718 0.506 0.000) 10.729 5.342 ( -1.293 5.223 0.000) 5.381 5.485 ( -5.529 -6.573 0.000) 8.589 5.690 ( -3.818 -1.077 0.000) 3.967 6.800 ( -3.269 1.903 0.000) 3.782 7.168 ( -9.145 7.473 0.000) 11.810 7.339 ( 9.012 2.983 0.000) 9.493 7.464 ( 12.665 -1.897 0.000) 12.806 7.674 ( -2.043 0.572 0.000) 2.121 7.978 ( -1.936 -2.268 0.000) 2.982 8.039 ( 6.937 2.070 0.000) 7.239 8.103 ( 1.307 -1.425 0.000) 1.934 8.399 ( 6.934 3.400 0.000) 7.723 8.507 ( 2.390 -3.622 0.000) 4.339 8.576 ( -8.248 8.391 0.000) 11.766 8.670 ( -7.896 -6.330 0.000) 10.120 9.122 ( -1.837 4.984 0.000) 5.311 9.311 ( -4.404 -5.344 0.000) 6.925 9.410 ( 1.322 -0.304 0.000) 1.357 9.676 ( 6.526 1.232 0.000) 6.641 10.538 ( -32.860 -1.282 0.000) 32.885 10.783 ( -14.689 0.912 0.000) 14.718 13.019 ( -11.300 1.597 0.000) 11.412 13.541 ( -9.906 -1.156 0.000) 9.973 14.236 ( -7.099 0.608 0.000) 7.125 14.993 ( -6.496 0.560 0.000) 6.520======================= Grid point 33 (24/171) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.368 ( 3.862 -5.354 0.000) 6.602 1.876 ( 0.256 -3.295 0.000) 3.305 2.227 ( -4.474 10.021 0.000) 10.975 2.507 ( -1.796 7.126 0.000) 7.349 2.590 ( -3.081 -5.079 0.000) 5.941 2.757 ( -0.946 2.962 0.000) 3.109 2.936 ( 7.144 -4.081 0.000) 8.228 3.243 ( 14.102 -4.752 0.000) 14.881 3.267 ( 1.546 -0.003 0.000) 1.546 3.788 ( -2.134 1.406 0.000) 2.555 4.022 ( 1.107 0.483 0.000) 1.208 4.144 ( -13.239 4.765 0.000) 14.070 4.538 ( 7.069 2.185 0.000) 7.399 4.755 ( -4.505 -4.926 0.000) 6.675 4.979 ( 8.016 1.788 0.000) 8.213 5.226 ( 2.296 -0.551 0.000) 2.361 5.310 ( 4.591 11.923 0.000) 12.776 5.375 ( 9.750 -7.300 0.000) 12.180 5.613 ( 8.870 -11.372 0.000) 14.423 5.645 ( -0.817 -0.797 0.000) 1.141 6.739 ( -1.816 6.263 0.000) 6.521 6.881 ( -12.862 13.939 0.000) 18.966 7.365 ( -4.295 9.583 0.000) 10.501 7.528 ( -11.523 -12.412 0.000) 16.936 7.721 ( 5.259 -1.963 0.000) 5.613 7.877 ( -7.400 -13.345 0.000) 15.260 8.029 ( -1.573 2.948 0.000) 3.341 8.221 ( 8.572 1.097 0.000) 8.642 8.435 ( -4.603 6.886 0.000) 8.283 8.567 ( 9.486 5.941 0.000) 11.193 8.570 ( -2.515 -0.027 0.000) 2.515 8.606 ( 9.004 -3.583 0.000) 9.691 9.039 ( -1.924 8.923 0.000) 9.128 9.361 ( 2.872 -11.385 0.000) 11.742 9.407 ( -0.904 1.853 0.000) 2.062 9.736 ( 0.652 0.297 0.000) 0.716 10.030 ( -18.878 -1.922 0.000) 18.976 10.499 ( -13.471 1.776 0.000) 13.588 12.822 ( -6.434 5.471 0.000) 8.445 13.418 ( -3.060 -0.427 0.000) 3.090 14.111 ( -5.434 -1.777 0.000) 5.718 14.872 ( -5.083 -0.198 0.000) 5.087======================= Grid point 34 (25/171) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( 3.879 -7.070 0.000) 8.064 1.901 ( -0.021 -5.902 0.000) 5.902 2.084 ( -3.752 10.298 0.000) 10.960 2.412 ( -1.799 11.403 0.000) 11.544 2.540 ( -3.773 -3.313 0.000) 5.021 2.746 ( 0.292 0.117 0.000) 0.314 3.112 ( 5.852 -10.281 0.000) 11.830 3.299 ( 1.217 1.394 0.000) 1.850 3.491 ( 7.359 -3.631 0.000) 8.206 3.615 ( -12.234 3.857 0.000) 12.828 3.882 ( -9.901 2.633 0.000) 10.245 4.051 ( 2.874 1.059 0.000) 3.063 4.558 ( -1.518 2.009 0.000) 2.519 4.745 ( -4.406 -9.000 0.000) 10.021 5.033 ( 0.065 4.092 0.000) 4.093 5.182 ( -2.327 0.621 0.000) 2.409 5.379 ( 6.643 11.178 0.000) 13.003 5.551 ( 2.661 -8.711 0.000) 9.109 5.692 ( 4.130 -2.265 0.000) 4.710 5.829 ( 5.471 -9.281 0.000) 10.773 6.543 ( -11.059 13.617 0.000) 17.542 6.599 ( -7.034 11.336 0.000) 13.341 7.150 ( -11.279 -2.481 0.000) 11.548 7.282 ( -20.299 -22.676 0.000) 30.434 7.842 ( 5.796 -0.974 0.000) 5.877 7.911 ( -0.811 -10.364 0.000) 10.396 8.016 ( 1.694 2.747 0.000) 3.227 8.311 ( -2.067 0.883 0.000) 2.248 8.344 ( 2.979 -0.508 0.000) 3.022 8.523 ( -2.591 5.091 0.000) 5.712 8.655 ( 4.133 11.100 0.000) 11.844 8.846 ( 4.555 -4.048 0.000) 6.094 8.995 ( 8.770 10.713 0.000) 13.845 9.380 ( 0.890 4.389 0.000) 4.478 9.485 ( 3.714 -2.987 0.000) 4.766 9.718 ( -2.799 -2.090 0.000) 3.493 9.840 ( -2.363 -9.020 0.000) 9.325 10.238 ( -11.056 -0.149 0.000) 11.057 12.709 ( -0.329 8.301 0.000) 8.307 13.421 ( 3.670 1.895 0.000) 4.130 14.049 ( -2.987 -4.843 0.000) 5.690 14.809 ( -1.717 -1.635 0.000) 2.371======================= Grid point 35 (26/171) =======================q-point: (-0.57 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( 3.841 -7.577 0.000) 8.495 1.953 ( -3.364 10.490 0.000) 11.016 1.958 ( 1.285 -9.570 0.000) 9.656 2.308 ( -1.377 12.460 0.000) 12.536 2.496 ( -2.603 -3.310 0.000) 4.210 2.751 ( -0.676 -1.767 0.000) 1.891 3.164 ( -10.189 3.486 0.000) 10.768 3.314 ( 1.662 -9.643 0.000) 9.785 3.411 ( -3.270 -1.295 0.000) 3.517 3.517 ( -4.817 3.112 0.000) 5.735 3.792 ( 0.290 -5.220 0.000) 5.228 4.111 ( 3.708 2.259 0.000) 4.342 4.480 ( -5.787 0.352 0.000) 5.798 4.625 ( -12.230 -7.027 0.000) 14.105 4.955 ( -6.086 0.956 0.000) 6.161 5.142 ( -1.544 1.471 0.000) 2.132 5.455 ( 5.890 5.673 0.000) 8.178 5.632 ( 0.486 -4.285 0.000) 4.313 5.721 ( -2.224 0.611 0.000) 2.306 5.873 ( -5.242 -2.033 0.000) 5.622 6.382 ( 1.053 1.612 0.000) 1.926 6.415 ( -3.979 4.629 0.000) 6.104 7.000 ( -7.216 -8.408 0.000) 11.080 7.048 ( -16.951 -22.769 0.000) 28.386 7.856 ( -6.526 -2.607 0.000) 7.028 7.953 ( 3.471 -0.418 0.000) 3.497 8.049 ( 2.877 2.327 0.000) 3.701 8.312 ( -6.691 -1.286 0.000) 6.813 8.397 ( 0.714 -1.393 0.000) 1.565 8.434 ( 4.908 0.088 0.000) 4.908 8.618 ( -0.895 8.561 0.000) 8.607 8.867 ( 0.756 -0.256 0.000) 0.798 9.048 ( -1.147 14.017 0.000) 14.063 9.404 ( 3.754 3.394 0.000) 5.061 9.578 ( 0.190 2.468 0.000) 2.476 9.648 ( -6.055 -2.942 0.000) 6.731 9.995 ( 15.081 -8.781 0.000) 17.451 10.222 ( 9.556 -9.383 0.000) 13.393 12.729 ( 7.198 6.601 0.000) 9.767 13.536 ( 9.584 3.893 0.000) 10.344 14.037 ( -1.789 -6.022 0.000) 6.282 14.819 ( 1.192 -2.528 0.000) 2.795======================= Grid point 36 (27/171) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 2.063 -0.003 0.000) 2.063 1.840 ( -1.979 3.023 0.000) 3.613 2.057 ( 1.423 -12.387 0.000) 12.468 2.210 ( -1.356 11.742 0.000) 11.820 2.469 ( -2.744 -3.311 0.000) 4.300 2.717 ( -4.495 -2.537 0.000) 5.162 2.875 ( -13.195 3.860 0.000) 13.748 3.318 ( -2.850 1.471 0.000) 3.207 3.380 ( -4.553 6.324 0.000) 7.792 3.445 ( -2.788 -12.301 0.000) 12.613 3.847 ( -1.145 -9.097 0.000) 9.169 4.143 ( -1.108 1.073 0.000) 1.542 4.309 ( -12.609 -1.057 0.000) 12.653 4.392 ( -11.306 -1.910 0.000) 11.466 4.806 ( -8.938 -4.569 0.000) 10.039 5.107 ( -1.506 -2.148 0.000) 2.624 5.425 ( -16.528 8.768 0.000) 18.710 5.427 ( -9.704 5.476 0.000) 11.143 5.774 ( 4.523 -0.433 0.000) 4.544 5.798 ( 2.761 2.550 0.000) 3.758 6.433 ( 5.181 -7.217 0.000) 8.884 6.498 ( 6.218 -10.175 0.000) 11.925 6.880 ( -12.818 -18.964 0.000) 22.889 6.956 ( -3.504 -9.497 0.000) 10.123 7.745 ( -5.765 -2.975 0.000) 6.487 7.947 ( -1.507 5.711 0.000) 5.906 8.078 ( -0.949 0.328 0.000) 1.004 8.148 ( -7.702 0.640 0.000) 7.728 8.400 ( 4.700 0.400 0.000) 4.717 8.483 ( -9.329 7.738 0.000) 12.120 8.670 ( 10.434 -7.121 0.000) 12.633 8.846 ( -5.496 0.622 0.000) 5.532 8.974 ( 6.356 9.851 0.000) 11.723 9.437 ( -8.945 -1.520 0.000) 9.073 9.460 ( -0.150 1.056 0.000) 1.066 9.513 ( -6.488 -2.307 0.000) 6.886 10.542 ( 28.380 -5.221 0.000) 28.856 10.616 ( 26.052 -6.293 0.000) 26.802 12.916 ( 13.944 2.150 0.000) 14.109 13.743 ( 13.623 5.094 0.000) 14.545 14.049 ( -0.573 -6.748 0.000) 6.772 14.878 ( 2.883 -3.333 0.000) 4.407======================= Grid point 37 (28/171) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( -3.534 14.859 0.000) 15.273 1.904 ( 2.671 -12.063 0.000) 12.356 2.093 ( -4.745 11.529 0.000) 12.467 2.116 ( -2.882 -8.835 0.000) 9.294 2.366 ( -9.394 2.713 0.000) 9.777 2.645 ( -3.166 -5.130 0.000) 6.028 2.670 ( -5.846 -3.293 0.000) 6.710 3.200 ( -9.266 0.545 0.000) 9.282 3.247 ( -8.323 2.408 0.000) 8.664 3.348 ( -12.159 -6.100 0.000) 13.603 3.803 ( -7.642 -4.684 0.000) 8.963 3.894 ( -23.278 -3.254 0.000) 23.505 4.038 ( -15.076 2.339 0.000) 15.256 4.321 ( 4.047 4.278 0.000) 5.889 4.689 ( -9.984 -9.744 0.000) 13.951 4.983 ( -17.213 10.521 0.000) 20.174 4.995 ( -21.789 3.859 0.000) 22.128 5.197 ( 1.706 -6.222 0.000) 6.451 5.855 ( 3.874 1.225 0.000) 4.063 5.906 ( 7.602 3.565 0.000) 8.397 6.689 ( 14.011 -10.376 0.000) 17.435 6.733 ( 5.781 -16.397 0.000) 17.387 6.754 ( -6.221 -12.386 0.000) 13.860 6.925 ( -6.093 -9.340 0.000) 11.152 7.666 ( -4.240 -3.816 0.000) 5.704 7.905 ( -12.808 -2.391 0.000) 13.029 7.925 ( 4.764 8.013 0.000) 9.322 8.109 ( 0.399 1.677 0.000) 1.724 8.170 ( -16.080 7.827 0.000) 17.884 8.533 ( 6.807 -0.555 0.000) 6.829 8.703 ( -7.773 1.606 0.000) 7.937 8.877 ( 5.368 -6.461 0.000) 8.400 9.053 ( -1.596 -2.872 0.000) 3.286 9.257 ( -13.101 -0.691 0.000) 13.119 9.384 ( 6.302 -0.127 0.000) 6.303 9.530 ( 1.091 0.203 0.000) 1.109 11.070 ( 26.678 -0.964 0.000) 26.695 11.312 ( 36.558 -1.698 0.000) 36.597 13.228 ( 17.126 -0.857 0.000) 17.147 13.999 ( 15.283 5.882 0.000) 16.376 14.114 ( 2.901 -8.497 0.000) 8.979 14.972 ( 4.172 -4.533 0.000) 6.161======================= Grid point 38 (29/171) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( -5.463 17.085 0.000) 17.937 1.848 ( -10.864 16.759 0.000) 19.973 2.014 ( -2.065 -5.388 0.000) 5.771 2.073 ( -5.481 -7.566 0.000) 9.342 2.116 ( -7.978 1.520 0.000) 8.121 2.628 ( -6.134 -7.391 0.000) 9.605 2.640 ( -3.627 -7.083 0.000) 7.957 2.886 ( -22.292 0.121 0.000) 22.292 2.941 ( -22.354 -5.114 0.000) 22.931 3.148 ( -8.850 -4.813 0.000) 10.074 3.365 ( -30.289 -3.493 0.000) 30.490 3.631 ( -11.278 2.900 0.000) 11.645 3.679 ( -17.763 7.970 0.000) 19.469 4.277 ( -23.392 7.993 0.000) 24.720 4.378 ( -5.587 9.719 0.000) 11.211 4.485 ( -13.655 1.565 0.000) 13.744 4.925 ( 4.141 -12.136 0.000) 12.823 5.373 ( 7.031 -14.765 0.000) 16.353 5.914 ( 3.404 3.456 0.000) 4.851 6.025 ( 6.756 4.124 0.000) 7.915 6.611 ( -9.817 -7.417 0.000) 12.304 6.840 ( -6.705 -7.987 0.000) 10.428 7.026 ( 11.266 -7.974 0.000) 13.803 7.054 ( 11.174 -14.398 0.000) 18.225 7.634 ( -0.154 -2.351 0.000) 2.356 7.644 ( -14.813 -2.819 0.000) 15.079 7.782 ( -17.962 5.076 0.000) 18.666 7.991 ( 2.705 4.941 0.000) 5.633 8.139 ( 2.154 -3.935 0.000) 4.486 8.541 ( -6.705 1.194 0.000) 6.811 8.563 ( -4.286 5.243 0.000) 6.772 8.947 ( -10.221 -8.648 0.000) 13.389 8.965 ( 2.435 -7.484 0.000) 7.870 9.072 ( -5.622 0.408 0.000) 5.637 9.531 ( 0.256 0.913 0.000) 0.948 9.604 ( 12.434 1.225 0.000) 12.494 11.618 ( 28.637 3.689 0.000) 28.874 12.008 ( 32.425 0.859 0.000) 32.437 13.577 ( 16.917 -2.035 0.000) 17.039 14.267 ( 6.999 -8.524 0.000) 11.029 14.270 ( 15.419 5.697 0.000) 16.438 15.092 ( 4.933 -4.899 0.000) 6.952======================= Grid point 39 (30/171) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( -6.886 20.275 0.000) 21.412 1.499 ( -12.289 21.822 0.000) 25.044 1.772 ( -9.135 15.221 0.000) 17.752 1.966 ( -13.352 -7.543 0.000) 15.336 2.116 ( -15.457 -5.065 0.000) 16.266 2.340 ( -17.816 -15.956 0.000) 23.917 2.355 ( -22.715 5.154 0.000) 23.292 2.446 ( -17.718 -5.129 0.000) 18.446 2.704 ( -29.269 2.960 0.000) 29.419 2.762 ( -1.896 -8.556 0.000) 8.763 3.184 ( -6.990 -7.949 0.000) 10.586 3.211 ( -27.481 4.241 0.000) 27.806 3.229 ( -16.258 -0.294 0.000) 16.261 3.948 ( -4.261 10.834 0.000) 11.642 3.967 ( -14.027 9.699 0.000) 17.054 4.540 ( 5.821 2.933 0.000) 6.519 5.119 ( 5.422 -16.854 0.000) 17.705 5.604 ( 6.227 -15.808 0.000) 16.990 5.940 ( 1.472 4.920 0.000) 5.136 6.132 ( 6.323 3.364 0.000) 7.162 6.442 ( -11.589 -5.938 0.000) 13.022 6.746 ( -11.193 -9.296 0.000) 14.550 7.081 ( -5.905 4.879 0.000) 7.660 7.202 ( -7.289 -3.822 0.000) 8.231 7.347 ( -16.761 -0.278 0.000) 16.763 7.554 ( 0.774 -10.686 0.000) 10.714 7.715 ( 5.118 -0.080 0.000) 5.119 7.934 ( -1.645 0.413 0.000) 1.696 8.230 ( 0.849 -10.479 0.000) 10.514 8.468 ( 1.696 2.323 0.000) 2.877 8.475 ( 0.399 3.483 0.000) 3.506 8.797 ( -9.926 -10.187 0.000) 14.224 8.895 ( -9.839 4.153 0.000) 10.679 9.098 ( 4.137 -2.728 0.000) 4.956 9.572 ( 4.090 -1.386 0.000) 4.319 9.796 ( 7.490 2.137 0.000) 7.789 12.114 ( 23.401 6.485 0.000) 24.283 12.548 ( 22.710 3.029 0.000) 22.911 13.907 ( 14.041 -3.274 0.000) 14.418 14.466 ( 8.782 -4.351 0.000) 9.801 14.530 ( 13.541 4.781 0.000) 14.361 15.216 ( 4.664 -4.166 0.000) 6.253======================= Grid point 40 (31/171) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( -4.870 25.108 0.000) 25.576 1.062 ( -23.174 16.972 0.000) 28.724 1.458 ( -31.617 2.658 0.000) 31.728 1.525 ( -17.436 26.389 0.000) 31.629 1.564 ( -6.708 17.041 0.000) 18.314 1.966 ( -15.356 0.430 0.000) 15.362 2.129 ( -18.080 -1.954 0.000) 18.185 2.345 ( -6.668 -13.884 0.000) 15.402 2.400 ( 0.349 -19.358 0.000) 19.361 2.613 ( -20.651 -0.610 0.000) 20.660 2.698 ( -20.540 6.268 0.000) 21.475 2.845 ( -1.719 -6.292 0.000) 6.523 3.351 ( 3.192 -16.511 0.000) 16.816 3.741 ( -3.608 11.866 0.000) 12.402 3.863 ( 0.567 11.183 0.000) 11.198 4.622 ( 4.369 3.404 0.000) 5.539 5.314 ( 3.562 -17.283 0.000) 17.646 5.769 ( 0.389 -9.872 0.000) 9.879 5.886 ( -4.817 6.009 0.000) 7.701 6.118 ( -14.724 -8.439 0.000) 16.971 6.326 ( 3.966 -1.105 0.000) 4.117 6.363 ( -21.733 7.652 0.000) 23.040 6.962 ( -13.532 -0.502 0.000) 13.541 7.028 ( 4.142 4.954 0.000) 6.457 7.068 ( -10.838 -2.144 0.000) 11.048 7.763 ( 2.231 -1.205 0.000) 2.535 7.796 ( 12.692 -13.626 0.000) 18.621 7.993 ( 0.112 -7.104 0.000) 7.104 8.249 ( -4.964 -11.630 0.000) 12.645 8.491 ( 2.684 2.633 0.000) 3.759 8.555 ( 2.846 -5.274 0.000) 5.993 8.689 ( -6.603 5.310 0.000) 8.474 8.703 ( -3.498 -4.691 0.000) 5.852 9.136 ( 0.129 2.572 0.000) 2.575 9.678 ( 4.124 -2.546 0.000) 4.847 9.876 ( 2.629 3.607 0.000) 4.463 12.429 ( 12.045 7.390 0.000) 14.131 12.860 ( 10.957 4.471 0.000) 11.834 14.122 ( 4.789 -3.276 0.000) 5.802 14.672 ( 10.752 -0.257 0.000) 10.755 14.723 ( 8.094 4.212 0.000) 9.125 15.319 ( 3.124 -3.539 0.000) 4.721======================= Grid point 41 (32/171) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.533 ( -0.000 20.642 0.000) 20.642 0.723 ( -0.000 28.950 0.000) 28.950 1.018 ( -0.000 3.753 0.000) 3.753 1.155 ( -0.000 46.287 0.000) 46.287 1.417 ( -0.000 18.230 0.000) 18.230 1.792 ( 0.000 -1.644 0.000) 1.644 1.944 ( 0.000 -3.069 0.000) 3.069 2.340 ( -0.000 0.771 0.000) 0.771 2.399 ( 0.000 -19.007 0.000) 19.007 2.440 ( -0.000 3.758 0.000) 3.758 2.561 ( 0.000 -20.646 0.000) 20.646 2.880 ( 0.000 -6.103 0.000) 6.103 3.494 ( 0.000 -15.388 0.000) 15.388 3.641 ( -0.000 13.340 0.000) 13.340 3.807 ( -0.000 10.769 0.000) 10.769 4.661 ( -0.000 2.730 0.000) 2.730 5.453 ( 0.000 -15.657 0.000) 15.657 5.620 ( -0.000 8.884 0.000) 8.884 5.726 ( -0.000 7.858 0.000) 7.858 6.031 ( 0.000 -15.433 0.000) 15.433 6.076 ( -0.000 17.360 0.000) 17.360 6.406 ( -0.000 2.691 0.000) 2.691 6.795 ( 0.000 -0.137 0.000) 0.137 6.972 ( 0.000 -2.712 0.000) 2.712 7.072 ( 0.000 -0.549 0.000) 0.549 7.817 ( -0.000 0.248 0.000) 0.248 8.012 ( 0.000 -13.116 0.000) 13.116 8.150 ( 0.000 -11.672 0.000) 11.672 8.168 ( 0.000 -14.366 0.000) 14.366 8.548 ( -0.000 6.921 0.000) 6.921 8.558 ( -0.000 3.111 0.000) 3.111 8.616 ( 0.000 -14.943 0.000) 14.943 8.679 ( -0.000 6.911 0.000) 6.911 9.110 ( -0.000 3.263 0.000) 3.263 9.734 ( 0.000 -1.708 0.000) 1.708 9.874 ( -0.000 4.152 0.000) 4.152 12.501 ( -0.000 7.046 0.000) 7.046 12.934 ( -0.000 5.152 0.000) 5.152 14.163 ( 0.000 -1.333 0.000) 1.333 14.782 ( -0.000 3.809 0.000) 3.809 14.829 ( 0.000 -2.518 0.000) 2.518 15.372 ( 0.000 -3.110 0.000) 3.110======================= Grid point 46 (33/171) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.335 ( 3.957 0.000 0.000) 3.957 1.856 ( 0.153 0.000 0.000) 0.153 2.298 ( -5.361 -0.000 0.000) 5.361 2.548 ( -2.318 -0.000 0.000) 2.318 2.552 ( -0.601 -0.000 0.000) 0.601 2.779 ( -2.238 -0.000 0.000) 2.238 2.909 ( 5.216 0.000 0.000) 5.216 3.213 ( 15.279 0.000 0.000) 15.279 3.268 ( 1.771 0.000 0.000) 1.771 3.794 ( -1.663 -0.000 0.000) 1.663 4.026 ( 1.712 0.000 0.000) 1.712 4.174 ( -14.640 -0.000 0.000) 14.640 4.554 ( 9.126 0.000 0.000) 9.126 4.721 ( -8.510 -0.000 0.000) 8.510 4.992 ( 10.551 0.000 0.000) 10.551 5.220 ( 0.827 0.000 0.000) 0.827 5.327 ( 7.613 0.000 0.000) 7.613 5.452 ( 10.074 0.000 0.000) 10.074 5.479 ( 6.302 0.000 0.000) 6.302 5.640 ( -0.377 -0.000 0.000) 0.377 6.777 ( -0.766 -0.000 0.000) 0.766 6.982 ( -11.386 -0.000 0.000) 11.386 7.433 ( -16.211 -0.000 0.000) 16.211 7.440 ( -5.756 -0.000 0.000) 5.756 7.707 ( 4.636 0.000 0.000) 4.636 7.781 ( -7.557 -0.000 0.000) 7.557 8.048 ( -2.107 -0.000 0.000) 2.107 8.228 ( 8.815 0.000 0.000) 8.815 8.480 ( -9.290 -0.000 0.000) 9.290 8.567 ( 2.030 0.000 0.000) 2.030 8.580 ( 8.964 0.000 0.000) 8.964 8.610 ( 10.703 0.000 0.000) 10.703 9.134 ( 0.143 0.000 0.000) 0.143 9.250 ( 1.456 0.000 0.000) 1.456 9.419 ( 0.009 0.000 0.000) 0.009 9.737 ( -0.205 -0.000 0.000) 0.205 10.018 ( -18.886 -0.000 0.000) 18.886 10.510 ( -13.724 -0.000 0.000) 13.724 12.857 ( -5.667 -0.000 0.000) 5.667 13.416 ( -2.389 -0.000 0.000) 2.389 14.099 ( -6.413 -0.000 0.000) 6.413 14.871 ( -5.514 -0.000 0.000) 5.514======================= Grid point 47 (34/171) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( 4.098 -2.593 0.000) 4.850 1.852 ( -0.692 -2.070 0.000) 2.182 2.180 ( -4.523 4.836 0.000) 6.621 2.501 ( -2.983 -2.371 0.000) 3.810 2.523 ( -0.804 5.850 0.000) 5.904 2.748 ( -0.981 0.162 0.000) 0.994 3.005 ( 3.434 -5.801 0.000) 6.742 3.319 ( 2.761 1.182 0.000) 3.003 3.459 ( 8.416 -1.498 0.000) 8.549 3.643 ( -12.981 0.999 0.000) 13.020 3.905 ( -11.354 1.028 0.000) 11.400 4.061 ( 3.029 0.560 0.000) 3.081 4.587 ( -3.192 2.791 0.000) 4.240 4.657 ( -2.336 -5.383 0.000) 5.868 5.079 ( -0.756 2.707 0.000) 2.810 5.185 ( -1.600 0.032 0.000) 1.600 5.459 ( 4.662 -5.008 0.000) 6.842 5.507 ( 2.529 8.830 0.000) 9.185 5.679 ( 3.480 -0.393 0.000) 3.503 5.718 ( 8.538 -8.103 0.000) 11.772 6.710 ( -5.750 5.785 0.000) 8.156 6.717 ( -11.825 13.703 0.000) 18.100 7.032 ( -22.683 -17.022 0.000) 28.360 7.118 ( -18.106 -2.200 0.000) 18.239 7.818 ( 3.085 -3.466 0.000) 4.640 7.836 ( 7.392 -0.915 0.000) 7.448 8.041 ( 1.541 1.300 0.000) 2.016 8.316 ( -5.054 0.208 0.000) 5.058 8.337 ( 1.744 -0.450 0.000) 1.801 8.565 ( -2.833 1.776 0.000) 3.344 8.745 ( 3.610 4.680 0.000) 5.910 8.800 ( 5.972 -3.504 0.000) 6.924 9.159 ( 10.756 14.101 0.000) 17.735 9.396 ( 8.455 -10.742 0.000) 13.670 9.423 ( 1.288 2.225 0.000) 2.571 9.696 ( -3.701 -1.207 0.000) 3.893 9.769 ( -6.889 -2.562 0.000) 7.350 10.235 ( -13.360 -0.179 0.000) 13.361 12.788 ( -0.216 3.878 0.000) 3.884 13.438 ( 4.628 0.864 0.000) 4.708 14.002 ( -3.879 -2.399 0.000) 4.560 14.794 ( -2.199 -0.747 0.000) 2.322======================= Grid point 48 (35/171) =======================q-point: (-0.64 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 4.122 -4.701 0.000) 6.252 1.866 ( 0.074 -5.454 0.000) 5.455 2.067 ( -3.321 7.655 0.000) 8.345 2.452 ( -1.172 10.673 0.000) 10.737 2.461 ( -2.441 -2.374 0.000) 3.405 2.728 ( -1.837 -1.803 0.000) 2.574 3.111 ( 0.710 -10.119 0.000) 10.144 3.285 ( -9.224 4.511 0.000) 10.268 3.398 ( -4.628 -2.132 0.000) 5.096 3.542 ( -0.945 1.085 0.000) 1.439 3.747 ( -3.840 -2.334 0.000) 4.494 4.132 ( 4.012 1.287 0.000) 4.214 4.488 ( -6.348 0.982 0.000) 6.424 4.555 ( -10.417 -4.554 0.000) 11.369 4.967 ( -8.641 0.932 0.000) 8.691 5.155 ( -1.967 0.696 0.000) 2.086 5.515 ( 2.519 4.056 0.000) 4.775 5.574 ( 3.478 -4.435 0.000) 5.636 5.723 ( -0.039 -0.067 0.000) 0.077 5.835 ( -0.795 -3.588 0.000) 3.675 6.447 ( -5.196 8.750 0.000) 10.177 6.498 ( -8.779 7.961 0.000) 11.851 6.795 ( -13.996 -19.165 0.000) 23.731 6.894 ( -8.318 -8.630 0.000) 11.986 7.812 ( -5.196 -3.032 0.000) 6.016 7.982 ( 7.126 3.175 0.000) 7.801 8.079 ( 2.915 2.300 0.000) 3.713 8.294 ( -6.544 -1.547 0.000) 6.725 8.347 ( 6.010 -4.274 0.000) 7.375 8.457 ( -4.959 1.606 0.000) 5.213 8.689 ( -4.148 3.509 0.000) 5.433 8.862 ( 0.594 -0.421 0.000) 0.728 9.238 ( 1.351 16.991 0.000) 17.045 9.445 ( 2.531 3.089 0.000) 3.993 9.583 ( -1.642 -3.649 0.000) 4.002 9.614 ( -5.815 -2.425 0.000) 6.300 9.894 ( 19.615 -6.220 0.000) 20.577 10.117 ( 5.850 -7.541 0.000) 9.545 12.809 ( 5.597 5.768 0.000) 8.037 13.576 ( 10.068 2.561 0.000) 10.388 13.969 ( -1.947 -4.760 0.000) 5.142 14.792 ( 0.983 -1.782 0.000) 2.035======================= Grid point 49 (36/171) =======================q-point: (-0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.639 ( 3.829 -6.342 0.000) 7.409 1.923 ( 0.967 -9.332 0.000) 9.382 1.950 ( -3.148 10.485 0.000) 10.947 2.356 ( -1.553 11.904 0.000) 12.005 2.434 ( -1.948 -2.622 0.000) 3.266 2.681 ( -4.823 -3.175 0.000) 5.774 2.928 ( -13.905 4.938 0.000) 14.756 3.256 ( -1.185 -12.943 0.000) 12.997 3.355 ( -3.630 -0.967 0.000) 3.756 3.446 ( -5.362 4.661 0.000) 7.105 3.752 ( -0.418 -6.706 0.000) 6.719 4.158 ( -3.558 1.448 0.000) 3.841 4.292 ( -13.406 -1.752 0.000) 13.520 4.381 ( -5.594 -0.359 0.000) 5.606 4.756 ( -12.357 -3.485 0.000) 12.839 5.088 ( -4.492 -1.044 0.000) 4.612 5.476 ( -8.409 2.831 0.000) 8.872 5.511 ( -11.812 5.596 0.000) 13.070 5.759 ( 3.991 -1.930 0.000) 4.433 5.817 ( 2.415 0.885 0.000) 2.572 6.378 ( 1.043 -1.912 0.000) 2.178 6.412 ( 2.021 -4.184 0.000) 4.647 6.676 ( -8.645 -14.674 0.000) 17.031 6.843 ( -3.634 -8.941 0.000) 9.652 7.713 ( -5.454 -1.998 0.000) 5.809 8.038 ( 2.091 8.622 0.000) 8.871 8.087 ( -5.524 0.972 0.000) 5.609 8.153 ( -3.308 0.322 0.000) 3.324 8.403 ( 3.199 0.091 0.000) 3.200 8.559 ( -7.931 4.713 0.000) 9.225 8.570 ( 9.258 -9.037 0.000) 12.938 8.832 ( -4.574 -1.574 0.000) 4.837 9.121 ( -1.356 12.840 0.000) 12.911 9.416 ( -9.537 -2.017 0.000) 9.748 9.468 ( -4.962 0.169 0.000) 4.965 9.497 ( -1.706 -0.457 0.000) 1.766 10.481 ( 29.546 -4.643 0.000) 29.909 10.530 ( 29.549 -7.474 0.000) 30.480 12.952 ( 11.838 3.517 0.000) 12.349 13.796 ( 13.737 3.675 0.000) 14.220 13.972 ( -0.924 -5.810 0.000) 5.883 14.842 ( 2.539 -2.553 0.000) 3.600======================= Grid point 50 (37/171) =======================q-point: (-0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( 2.698 -2.837 0.000) 3.915 1.821 ( -3.060 7.566 0.000) 8.161 1.988 ( -1.414 -9.442 0.000) 9.547 2.251 ( -2.137 11.454 0.000) 11.652 2.391 ( -4.325 1.006 0.000) 4.440 2.585 ( -5.700 -4.514 0.000) 7.271 2.659 ( -10.121 1.947 0.000) 10.306 3.196 ( -10.983 -2.201 0.000) 11.201 3.248 ( -10.575 -9.283 0.000) 14.072 3.265 ( -12.865 0.710 0.000) 12.885 3.761 ( -2.157 -2.419 0.000) 3.241 3.889 ( -19.433 2.142 0.000) 19.550 4.052 ( -12.740 -0.218 0.000) 12.742 4.369 ( 3.985 3.749 0.000) 5.472 4.570 ( -9.886 -9.406 0.000) 13.646 4.995 ( -11.360 -3.491 0.000) 11.884 5.105 ( -21.554 9.236 0.000) 23.450 5.167 ( -13.192 1.104 0.000) 13.239 5.864 ( 5.846 0.379 0.000) 5.859 5.932 ( 7.660 0.848 0.000) 7.707 6.560 ( 5.415 -12.210 0.000) 13.357 6.570 ( 12.997 -8.857 0.000) 15.728 6.618 ( -2.700 -9.897 0.000) 10.259 6.808 ( -5.913 -9.701 0.000) 11.361 7.636 ( -3.017 -1.277 0.000) 3.276 7.872 ( -13.791 -2.813 0.000) 14.075 8.034 ( 4.273 9.623 0.000) 10.529 8.132 ( -1.220 2.442 0.000) 2.730 8.281 ( -14.962 9.575 0.000) 17.763 8.531 ( 8.401 0.162 0.000) 8.403 8.704 ( -8.464 -1.035 0.000) 8.527 8.784 ( 5.351 -8.773 0.000) 10.276 9.002 ( -9.565 -5.509 0.000) 11.038 9.259 ( -12.024 0.894 0.000) 12.057 9.410 ( 9.640 4.067 0.000) 10.462 9.527 ( 0.984 -0.735 0.000) 1.228 11.065 ( 30.329 0.288 0.000) 30.331 11.272 ( 37.427 -4.811 0.000) 37.735 13.225 ( 16.200 0.318 0.000) 16.203 14.017 ( 2.143 -7.349 0.000) 7.655 14.062 ( 15.277 4.542 0.000) 15.938 14.921 ( 3.687 -3.716 0.000) 5.235======================= Grid point 51 (38/171) =======================q-point: (-0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( -4.041 16.847 0.000) 17.325 1.879 ( 1.975 -12.167 0.000) 12.326 1.936 ( -7.485 -2.445 0.000) 7.874 2.106 ( -5.784 13.041 0.000) 14.266 2.217 ( -8.516 10.290 0.000) 13.357 2.530 ( -6.527 -8.051 0.000) 10.364 2.549 ( -3.422 -8.071 0.000) 8.766 2.883 ( -20.710 -1.007 0.000) 20.734 2.884 ( -25.644 -4.283 0.000) 25.999 3.032 ( -15.094 -12.143 0.000) 19.372 3.412 ( -25.051 9.087 0.000) 26.648 3.668 ( -9.086 3.082 0.000) 9.594 3.764 ( -15.206 5.798 0.000) 16.274 4.333 ( -19.304 0.914 0.000) 19.326 4.462 ( 6.834 2.921 0.000) 7.432 4.525 ( -25.831 6.635 0.000) 26.669 4.804 ( -2.991 -7.406 0.000) 7.988 5.189 ( 3.395 -15.802 0.000) 16.163 5.962 ( 4.975 4.636 0.000) 6.800 6.066 ( 6.656 2.649 0.000) 7.164 6.531 ( -6.287 -5.393 0.000) 8.284 6.737 ( -6.223 -8.832 0.000) 10.804 6.882 ( 12.897 -14.109 0.000) 19.115 6.907 ( 12.018 -11.487 0.000) 16.624 7.600 ( -15.593 -4.301 0.000) 16.175 7.622 ( 1.752 -0.023 0.000) 1.753 7.848 ( -20.682 5.610 0.000) 21.430 8.066 ( 1.966 7.289 0.000) 7.549 8.117 ( -1.588 0.155 0.000) 1.596 8.549 ( -6.336 0.147 0.000) 6.337 8.633 ( -1.452 6.213 0.000) 6.380 8.834 ( -11.522 -9.958 0.000) 15.229 8.873 ( 3.698 -7.509 0.000) 8.370 9.078 ( -5.039 0.132 0.000) 5.041 9.532 ( -0.402 -0.570 0.000) 0.697 9.633 ( 12.781 3.346 0.000) 13.211 11.666 ( 30.948 4.427 0.000) 31.263 12.003 ( 33.273 -1.819 0.000) 33.323 13.558 ( 16.577 -1.018 0.000) 16.608 14.163 ( 7.790 -8.569 0.000) 11.580 14.335 ( 15.064 5.135 0.000) 15.915 15.034 ( 4.968 -4.729 0.000) 6.859======================= Grid point 52 (39/171) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( -4.732 19.791 0.000) 20.349 1.718 ( -12.406 13.797 0.000) 18.555 1.890 ( -11.808 -3.034 0.000) 12.192 1.943 ( -4.590 6.449 0.000) 7.915 2.027 ( -2.029 -3.022 0.000) 3.640 2.212 ( -32.467 -5.218 0.000) 32.883 2.331 ( -18.795 -7.155 0.000) 20.111 2.447 ( -20.494 3.127 0.000) 20.731 2.649 ( -2.085 -10.305 0.000) 10.514 2.804 ( -24.620 8.284 0.000) 25.976 2.979 ( -2.075 -13.441 0.000) 13.601 3.260 ( -28.205 3.922 0.000) 28.476 3.331 ( -24.359 9.340 0.000) 26.088 4.057 ( -4.249 7.298 0.000) 8.445 4.069 ( -13.920 7.372 0.000) 15.752 4.582 ( 6.707 3.895 0.000) 7.756 4.916 ( 3.584 -16.744 0.000) 17.124 5.390 ( 5.183 -19.884 0.000) 20.549 6.001 ( 2.081 5.141 0.000) 5.546 6.169 ( 5.432 2.902 0.000) 6.159 6.392 ( -10.218 -2.018 0.000) 10.415 6.637 ( -10.998 -8.277 0.000) 13.764 7.098 ( 3.151 -2.516 0.000) 4.032 7.154 ( 1.844 -5.152 0.000) 5.472 7.326 ( -14.675 -4.136 0.000) 15.246 7.449 ( -11.673 -5.399 0.000) 12.861 7.719 ( 6.284 0.545 0.000) 6.308 7.970 ( -5.247 5.888 0.000) 7.886 8.102 ( -3.310 -10.452 0.000) 10.964 8.475 ( -2.276 -2.025 0.000) 3.046 8.521 ( -1.775 4.046 0.000) 4.418 8.697 ( -5.431 -5.318 0.000) 7.601 8.937 ( -8.074 2.833 0.000) 8.556 9.069 ( 8.167 -2.113 0.000) 8.436 9.550 ( 2.069 -2.224 0.000) 3.038 9.827 ( 8.283 3.022 0.000) 8.817 12.193 ( 24.505 6.676 0.000) 25.398 12.572 ( 23.320 0.802 0.000) 23.334 13.875 ( 13.922 -1.911 0.000) 14.053 14.402 ( 11.034 -6.135 0.000) 12.625 14.588 ( 13.162 4.877 0.000) 14.036 15.163 ( 4.978 -4.561 0.000) 6.752======================= Grid point 53 (40/171) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( -2.681 23.606 0.000) 23.758 1.232 ( -26.907 12.439 0.000) 29.643 1.480 ( -32.348 1.628 0.000) 32.389 1.720 ( -4.223 4.157 0.000) 5.926 1.795 ( -1.634 20.419 0.000) 20.484 1.981 ( -16.888 -1.922 0.000) 16.997 2.101 ( -15.454 -2.547 0.000) 15.662 2.159 ( 0.943 -19.983 0.000) 20.005 2.342 ( -9.039 17.975 0.000) 20.120 2.608 ( -16.815 -1.445 0.000) 16.877 2.766 ( -8.106 -6.086 0.000) 10.136 2.776 ( -22.940 7.090 0.000) 24.010 3.121 ( 2.288 -21.178 0.000) 21.301 3.865 ( -3.296 8.899 0.000) 9.489 3.986 ( 0.380 9.153 0.000) 9.161 4.670 ( 4.600 4.349 0.000) 6.330 5.093 ( 2.869 -19.242 0.000) 19.455 5.604 ( 4.563 -18.287 0.000) 18.848 5.968 ( -2.879 7.295 0.000) 7.842 6.067 ( -16.603 0.758 0.000) 16.620 6.332 ( 6.532 1.184 0.000) 6.639 6.377 ( -15.465 -4.168 0.000) 16.017 6.962 ( -13.270 0.251 0.000) 13.273 7.039 ( -11.964 -2.667 0.000) 12.257 7.151 ( 6.378 13.519 0.000) 14.948 7.623 ( 11.958 -14.884 0.000) 19.093 7.748 ( -0.297 -0.856 0.000) 0.906 7.921 ( -2.880 -4.233 0.000) 5.119 8.086 ( -6.702 -14.971 0.000) 16.402 8.434 ( -5.723 -11.759 0.000) 13.078 8.521 ( 3.386 2.467 0.000) 4.189 8.717 ( 5.201 3.947 0.000) 6.530 8.747 ( -7.028 4.525 0.000) 8.359 9.175 ( 2.610 3.636 0.000) 4.476 9.636 ( 3.558 -4.492 0.000) 5.731 9.921 ( 3.345 3.808 0.000) 5.069 12.521 ( 12.481 7.793 0.000) 14.714 12.905 ( 11.389 2.863 0.000) 11.743 14.092 ( 6.137 -1.691 0.000) 6.366 14.649 ( 10.333 -3.297 0.000) 10.846 14.776 ( 8.044 4.520 0.000) 9.226 15.272 ( 3.179 -4.071 0.000) 5.166======================= Grid point 54 (41/171) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.764 ( -0.000 17.943 0.000) 17.943 1.057 ( -0.000 26.736 0.000) 26.736 1.066 ( -0.000 4.140 0.000) 4.140 1.648 ( -0.000 31.287 0.000) 31.287 1.662 ( -0.000 22.114 0.000) 22.114 1.760 ( 0.000 -3.836 0.000) 3.836 1.915 ( 0.000 -1.607 0.000) 1.607 2.236 ( 0.000 -2.839 0.000) 2.839 2.304 ( 0.000 -21.803 0.000) 21.803 2.350 ( -0.000 0.968 0.000) 0.968 2.486 ( -0.000 3.876 0.000) 3.876 2.789 ( 0.000 -8.906 0.000) 8.906 3.277 ( 0.000 -20.666 0.000) 20.666 3.784 ( -0.000 10.369 0.000) 10.369 3.934 ( -0.000 10.231 0.000) 10.231 4.700 ( -0.000 3.654 0.000) 3.654 5.242 ( 0.000 -19.368 0.000) 19.368 5.746 ( -0.000 11.919 0.000) 11.919 5.815 ( 0.000 -20.680 0.000) 20.680 5.837 ( -0.000 10.479 0.000) 10.479 6.223 ( -0.000 5.113 0.000) 5.113 6.430 ( -0.000 1.353 0.000) 1.353 6.793 ( 0.000 -0.101 0.000) 0.101 6.935 ( 0.000 -3.440 0.000) 3.440 7.141 ( -0.000 13.644 0.000) 13.644 7.822 ( -0.000 0.560 0.000) 0.560 7.852 ( 0.000 -13.504 0.000) 13.504 7.962 ( 0.000 -19.492 0.000) 19.492 8.005 ( 0.000 -12.408 0.000) 12.408 8.442 ( 0.000 -13.585 0.000) 13.585 8.589 ( -0.000 2.186 0.000) 2.186 8.620 ( -0.000 5.108 0.000) 5.108 8.754 ( -0.000 5.666 0.000) 5.666 9.163 ( -0.000 5.383 0.000) 5.383 9.702 ( 0.000 -3.803 0.000) 3.803 9.926 ( -0.000 4.388 0.000) 4.388 12.593 ( -0.000 8.212 0.000) 8.212 12.994 ( -0.000 4.406 0.000) 4.406 14.150 ( 0.000 -0.760 0.000) 0.760 14.792 ( 0.000 -3.672 0.000) 3.672 14.832 ( -0.000 4.464 0.000) 4.464 15.329 ( 0.000 -3.879 0.000) 3.879======================= Grid point 61 (42/171) =======================q-point: (-0.71 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 4.187 0.000 0.000) 4.187 1.833 ( -0.404 -0.000 0.000) 0.404 2.116 ( -3.298 -0.000 0.000) 3.298 2.445 ( -2.184 -0.000 0.000) 2.184 2.526 ( -1.049 -0.000 0.000) 1.049 2.716 ( -2.401 -0.000 0.000) 2.401 3.036 ( 1.907 0.000 0.000) 1.907 3.335 ( -16.786 -0.000 0.000) 16.786 3.367 ( 1.151 0.000 0.000) 1.151 3.547 ( 0.980 0.000 0.000) 0.980 3.734 ( -5.845 -0.000 0.000) 5.845 4.140 ( 4.135 0.000 0.000) 4.135 4.499 ( -6.218 -0.000 0.000) 6.218 4.522 ( -10.106 -0.000 0.000) 10.106 4.973 ( -9.900 -0.000 0.000) 9.900 5.159 ( -2.025 -0.000 0.000) 2.025 5.542 ( 0.282 0.000 0.000) 0.282 5.545 ( 4.966 0.000 0.000) 4.966 5.722 ( 0.438 0.000 0.000) 0.438 5.809 ( 1.651 0.000 0.000) 1.651 6.560 ( -11.047 -0.000 0.000) 11.047 6.562 ( -10.556 -0.000 0.000) 10.556 6.618 ( -9.655 -0.000 0.000) 9.655 6.830 ( -7.985 -0.000 0.000) 7.985 7.794 ( -4.288 -0.000 0.000) 4.288 8.004 ( 8.801 0.000 0.000) 8.801 8.094 ( 3.096 0.000 0.000) 3.096 8.283 ( -6.686 -0.000 0.000) 6.686 8.318 ( 4.924 0.000 0.000) 4.924 8.466 ( -6.224 -0.000 0.000) 6.224 8.708 ( -5.107 -0.000 0.000) 5.107 8.859 ( 0.820 0.000 0.000) 0.820 9.400 ( 0.099 0.000 0.000) 0.099 9.466 ( 1.953 0.000 0.000) 1.953 9.500 ( 0.434 0.000 0.000) 0.434 9.598 ( -5.617 -0.000 0.000) 5.617 9.865 ( 21.740 0.000 0.000) 21.740 10.065 ( 2.978 0.000 0.000) 2.978 12.847 ( 4.872 0.000 0.000) 4.872 13.592 ( 10.186 0.000 0.000) 10.186 13.938 ( -1.876 -0.000 0.000) 1.876 14.781 ( 0.947 0.000 0.000) 0.947======================= Grid point 63 (43/171) =======================q-point: (-0.64 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 3.774 -2.411 0.000) 4.478 1.845 ( 0.709 -3.426 0.000) 3.498 2.047 ( -2.418 4.782 0.000) 5.359 2.408 ( -2.042 -1.389 0.000) 2.470 2.471 ( -2.829 5.901 0.000) 6.544 2.650 ( -4.729 -1.528 0.000) 4.970 2.993 ( -11.822 6.267 0.000) 13.380 3.103 ( -2.313 -10.984 0.000) 11.225 3.350 ( -3.719 -0.278 0.000) 3.729 3.488 ( -6.301 2.114 0.000) 6.646 3.692 ( 0.476 -2.880 0.000) 2.919 4.174 ( -3.507 1.041 0.000) 3.658 4.272 ( -14.300 -1.177 0.000) 14.348 4.379 ( -3.214 -0.015 0.000) 3.214 4.727 ( -14.283 -1.310 0.000) 14.343 5.081 ( -6.003 -0.272 0.000) 6.010 5.497 ( -7.343 0.762 0.000) 7.383 5.557 ( -7.432 2.016 0.000) 7.700 5.737 ( 2.768 -1.241 0.000) 3.034 5.823 ( 2.069 0.193 0.000) 2.078 6.375 ( -3.074 0.533 0.000) 3.120 6.391 ( -3.223 0.034 0.000) 3.223 6.545 ( -3.675 -6.482 0.000) 7.451 6.760 ( -2.891 -4.136 0.000) 5.046 7.698 ( -4.680 -0.506 0.000) 4.707 8.097 ( -10.526 0.502 0.000) 10.537 8.130 ( 4.033 5.375 0.000) 6.720 8.156 ( 1.863 0.141 0.000) 1.868 8.403 ( 2.402 0.006 0.000) 2.402 8.474 ( 8.252 -5.599 0.000) 9.972 8.595 ( -6.634 1.404 0.000) 6.780 8.819 ( -4.919 -0.599 0.000) 4.955 9.252 ( -13.007 7.729 0.000) 15.130 9.386 ( -3.274 -2.801 0.000) 4.309 9.467 ( -7.672 -0.111 0.000) 7.672 9.497 ( 0.941 0.116 0.000) 0.949 10.440 ( 31.868 -1.807 0.000) 31.920 10.458 ( 30.907 -3.653 0.000) 31.122 12.987 ( 10.140 1.738 0.000) 10.288 13.827 ( 13.635 1.350 0.000) 13.701 13.921 ( -0.740 -2.387 0.000) 2.499 14.820 ( 2.476 -0.968 0.000) 2.658======================= Grid point 64 (44/171) =======================q-point: (-0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 2.816 -5.000 0.000) 5.738 1.896 ( 1.168 -5.498 0.000) 5.620 1.955 ( -2.518 10.098 0.000) 10.407 2.354 ( -4.930 5.439 0.000) 7.341 2.381 ( -2.034 -2.592 0.000) 3.295 2.548 ( -6.319 -1.505 0.000) 6.496 2.722 ( -10.642 8.061 0.000) 13.351 3.093 ( -8.767 -11.531 0.000) 14.485 3.199 ( -11.928 -1.285 0.000) 11.997 3.269 ( -15.876 0.090 0.000) 15.876 3.742 ( 1.905 -0.901 0.000) 2.107 3.931 ( -15.699 4.438 0.000) 16.315 4.032 ( -11.948 -2.962 0.000) 12.309 4.407 ( 4.307 2.366 0.000) 4.914 4.476 ( -11.845 -5.786 0.000) 13.182 4.946 ( -8.514 -3.555 0.000) 9.226 5.193 ( -19.852 2.181 0.000) 19.972 5.195 ( -23.633 5.485 0.000) 24.261 5.864 ( 8.792 -0.258 0.000) 8.796 5.931 ( 7.888 -0.679 0.000) 7.917 6.447 ( 4.867 -6.454 0.000) 8.083 6.489 ( 10.954 -4.488 0.000) 11.838 6.527 ( -0.361 -5.101 0.000) 5.114 6.707 ( -5.697 -6.581 0.000) 8.705 7.630 ( -2.183 -0.061 0.000) 2.184 7.845 ( -14.749 -1.652 0.000) 14.841 8.142 ( 2.903 7.668 0.000) 8.200 8.160 ( -2.422 1.954 0.000) 3.112 8.384 ( -12.501 7.144 0.000) 14.398 8.537 ( 9.736 0.993 0.000) 9.787 8.679 ( 6.728 -8.100 0.000) 10.530 8.687 ( -8.299 -1.508 0.000) 8.435 8.934 ( -15.689 -5.221 0.000) 16.535 9.273 ( -11.239 1.129 0.000) 11.295 9.463 ( 10.091 3.987 0.000) 10.850 9.516 ( 0.463 -0.921 0.000) 1.031 11.081 ( 33.758 2.435 0.000) 33.846 11.204 ( 38.046 -6.086 0.000) 38.530 13.232 ( 15.185 0.724 0.000) 15.203 13.945 ( 1.746 -4.385 0.000) 4.719 14.104 ( 15.267 2.455 0.000) 15.463 14.886 ( 3.343 -2.089 0.000) 3.942======================= Grid point 65 (45/171) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( 0.985 -8.475 0.000) 8.532 1.827 ( -2.637 14.692 0.000) 14.926 1.910 ( -2.919 -0.818 0.000) 3.032 2.234 ( -5.193 5.116 0.000) 7.290 2.324 ( -4.150 5.967 0.000) 7.268 2.455 ( -4.228 -6.504 0.000) 7.758 2.472 ( -11.358 0.407 0.000) 11.365 2.831 ( -21.381 -8.846 0.000) 23.139 2.842 ( -27.369 -2.684 0.000) 27.500 2.926 ( -17.349 -3.530 0.000) 17.704 3.541 ( -18.941 11.620 0.000) 22.221 3.702 ( -8.039 2.596 0.000) 8.448 3.808 ( -12.617 1.215 0.000) 12.676 4.304 ( -11.943 -4.705 0.000) 12.837 4.473 ( -0.473 -0.033 0.000) 0.474 4.619 ( -17.640 8.174 0.000) 19.442 4.752 ( -13.248 -1.851 0.000) 13.377 5.004 ( -1.923 -14.578 0.000) 14.705 6.022 ( 6.655 5.044 0.000) 8.351 6.089 ( 7.284 1.281 0.000) 7.396 6.489 ( -2.042 -1.649 0.000) 2.625 6.643 ( -3.974 -6.279 0.000) 7.431 6.725 ( 12.646 -11.829 0.000) 17.317 6.767 ( 10.765 -11.104 0.000) 15.465 7.550 ( -16.179 -3.656 0.000) 16.587 7.627 ( 2.605 0.704 0.000) 2.698 7.907 ( -21.480 4.004 0.000) 21.850 8.138 ( -7.688 2.926 0.000) 8.226 8.153 ( 1.367 6.757 0.000) 6.893 8.547 ( -6.173 -0.486 0.000) 6.192 8.704 ( 0.548 5.152 0.000) 5.181 8.720 ( -9.756 -8.452 0.000) 12.908 8.793 ( 6.732 -5.458 0.000) 8.666 9.074 ( -6.262 -0.653 0.000) 6.296 9.520 ( -0.612 -1.240 0.000) 1.383 9.676 ( 12.107 3.365 0.000) 12.566 11.724 ( 32.724 5.242 0.000) 33.141 11.965 ( 34.136 -4.461 0.000) 34.426 13.554 ( 16.725 0.247 0.000) 16.727 14.070 ( 7.955 -6.718 0.000) 10.412 14.389 ( 14.969 3.623 0.000) 15.401 14.983 ( 4.835 -3.502 0.000) 5.970======================= Grid point 66 (46/171) =======================q-point: (-0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( -3.557 16.476 0.000) 16.856 1.803 ( -6.289 3.495 0.000) 7.194 1.837 ( 0.883 -10.528 0.000) 10.565 1.940 ( -19.810 8.990 0.000) 21.755 2.140 ( -19.969 5.402 0.000) 20.687 2.208 ( -16.824 7.735 0.000) 18.517 2.243 ( -18.481 -7.033 0.000) 19.774 2.470 ( -18.996 -0.051 0.000) 18.996 2.518 ( -2.774 -11.477 0.000) 11.808 2.664 ( -9.487 -19.662 0.000) 21.832 3.083 ( -16.238 17.790 0.000) 24.087 3.302 ( -28.637 3.104 0.000) 28.805 3.443 ( -21.581 9.714 0.000) 23.666 4.122 ( -3.656 3.598 0.000) 5.129 4.147 ( -13.489 6.066 0.000) 14.791 4.626 ( 6.663 3.279 0.000) 7.426 4.730 ( 1.354 -13.859 0.000) 13.925 5.136 ( 2.780 -21.983 0.000) 22.158 6.056 ( 0.652 3.556 0.000) 3.615 6.201 ( 5.304 2.397 0.000) 5.820 6.394 ( -7.524 2.079 0.000) 7.806 6.566 ( -9.142 -2.864 0.000) 9.581 7.025 ( 9.577 -9.099 0.000) 13.210 7.066 ( 12.195 -9.334 0.000) 15.357 7.261 ( -14.920 -5.289 0.000) 15.829 7.427 ( -22.294 0.425 0.000) 22.298 7.725 ( 6.331 0.563 0.000) 6.356 7.990 ( -8.325 -8.107 0.000) 11.620 8.065 ( -5.453 9.018 0.000) 10.539 8.418 ( -8.865 -6.371 0.000) 10.917 8.571 ( -3.814 4.466 0.000) 5.873 8.677 ( 2.771 0.874 0.000) 2.905 8.963 ( -5.276 1.598 0.000) 5.513 9.042 ( 10.210 -2.650 0.000) 10.548 9.522 ( 0.284 -2.336 0.000) 2.353 9.864 ( 8.379 2.959 0.000) 8.886 12.273 ( 25.302 6.697 0.000) 26.174 12.564 ( 23.742 -2.258 0.000) 23.849 13.865 ( 14.261 0.222 0.000) 14.263 14.325 ( 12.683 -6.480 0.000) 14.242 14.643 ( 12.791 4.140 0.000) 13.445 15.111 ( 5.312 -4.081 0.000) 6.699======================= Grid point 67 (47/171) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( -26.264 10.209 0.000) 28.178 1.481 ( -18.236 10.176 0.000) 20.883 1.512 ( -13.918 11.648 0.000) 18.149 1.720 ( -3.643 -0.531 0.000) 3.681 1.909 ( -15.853 -7.124 0.000) 17.380 1.930 ( 0.527 -15.202 0.000) 15.211 2.043 ( 0.099 18.246 0.000) 18.246 2.093 ( -16.455 0.284 0.000) 16.458 2.550 ( -4.304 -8.424 0.000) 9.460 2.600 ( -5.206 12.592 0.000) 13.626 2.725 ( -21.891 -0.414 0.000) 21.895 2.831 ( -11.495 -10.597 0.000) 15.634 2.953 ( -10.418 12.916 0.000) 16.594 3.956 ( -3.484 6.539 0.000) 7.409 4.077 ( 0.477 5.723 0.000) 5.743 4.720 ( 4.397 3.577 0.000) 5.668 4.867 ( 1.997 -17.883 0.000) 17.994 5.343 ( 3.393 -24.636 0.000) 24.869 6.042 ( -0.136 3.718 0.000) 3.721 6.121 ( -11.570 7.238 0.000) 13.647 6.315 ( -14.820 -3.689 0.000) 15.272 6.343 ( 5.729 0.484 0.000) 5.750 6.964 ( -13.588 -0.088 0.000) 13.588 7.006 ( -13.143 -2.643 0.000) 13.407 7.273 ( 13.725 4.369 0.000) 14.403 7.451 ( 11.209 -13.411 0.000) 17.478 7.764 ( -2.978 3.849 0.000) 4.867 7.906 ( -5.576 2.507 0.000) 6.114 7.907 ( -7.588 -14.377 0.000) 16.257 8.306 ( -6.331 -9.148 0.000) 11.125 8.553 ( 3.597 3.035 0.000) 4.707 8.766 ( 6.135 3.908 0.000) 7.274 8.799 ( -7.269 4.302 0.000) 8.447 9.212 ( 5.074 2.073 0.000) 5.481 9.572 ( 2.089 -5.939 0.000) 6.295 9.965 ( 3.725 3.446 0.000) 5.074 12.613 ( 12.896 7.550 0.000) 14.943 12.922 ( 11.714 -0.178 0.000) 11.715 14.084 ( 7.331 0.364 0.000) 7.340 14.600 ( 10.497 -4.637 0.000) 11.476 14.828 ( 7.833 4.028 0.000) 8.808 15.224 ( 3.394 -3.863 0.000) 5.142======================= Grid point 68 (48/171) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.960 ( -0.000 14.834 0.000) 14.834 1.113 ( -0.000 3.641 0.000) 3.641 1.359 ( -0.000 23.780 0.000) 23.780 1.703 ( 0.000 -5.485 0.000) 5.485 1.781 ( 0.000 -2.733 0.000) 2.733 1.906 ( 0.000 -0.184 0.000) 0.184 1.933 ( -0.000 22.528 0.000) 22.528 2.052 ( 0.000 -19.560 0.000) 19.560 2.362 ( -0.000 0.971 0.000) 0.971 2.462 ( -0.000 33.867 0.000) 33.867 2.530 ( -0.000 3.326 0.000) 3.326 2.669 ( 0.000 -11.083 0.000) 11.083 3.014 ( 0.000 -21.828 0.000) 21.828 3.888 ( -0.000 7.122 0.000) 7.122 4.044 ( -0.000 7.744 0.000) 7.744 4.745 ( -0.000 3.716 0.000) 3.716 5.003 ( 0.000 -19.883 0.000) 19.883 5.539 ( 0.000 -25.250 0.000) 25.250 5.898 ( -0.000 13.168 0.000) 13.168 5.971 ( -0.000 11.532 0.000) 11.532 6.198 ( 0.000 -7.508 0.000) 7.508 6.436 ( 0.000 -0.515 0.000) 0.515 6.793 ( -0.000 0.047 0.000) 0.047 6.893 ( 0.000 -3.524 0.000) 3.524 7.385 ( -0.000 24.838 0.000) 24.838 7.693 ( 0.000 -12.827 0.000) 12.827 7.724 ( 0.000 -19.175 0.000) 19.175 7.830 ( -0.000 0.734 0.000) 0.734 7.857 ( 0.000 -12.215 0.000) 12.215 8.298 ( 0.000 -10.330 0.000) 10.330 8.617 ( -0.000 3.081 0.000) 3.081 8.671 ( -0.000 3.384 0.000) 3.384 8.813 ( -0.000 4.203 0.000) 4.203 9.230 ( -0.000 5.361 0.000) 5.361 9.640 ( 0.000 -6.579 0.000) 6.579 9.977 ( -0.000 4.056 0.000) 4.056 12.692 ( -0.000 8.135 0.000) 8.135 13.032 ( -0.000 1.774 0.000) 1.774 14.148 ( -0.000 0.667 0.000) 0.667 14.742 ( 0.000 -4.458 0.000) 4.458 14.885 ( -0.000 4.189 0.000) 4.189 15.282 ( 0.000 -3.888 0.000) 3.888======================= Grid point 77 (49/171) =======================q-point: (-0.64 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.642 ( 2.618 0.000 0.000) 2.618 1.863 ( 2.142 0.000 0.000) 2.142 2.023 ( -1.697 -0.000 0.000) 1.697 2.356 ( -2.688 -0.000 0.000) 2.688 2.385 ( -7.258 -0.000 0.000) 7.258 2.541 ( -5.392 -0.000 0.000) 5.392 2.797 ( -10.369 -0.000 0.000) 10.369 2.999 ( -7.057 -0.000 0.000) 7.057 3.191 ( -12.283 -0.000 0.000) 12.283 3.269 ( -16.905 -0.000 0.000) 16.905 3.737 ( 3.459 0.000 0.000) 3.459 3.984 ( -13.297 -0.000 0.000) 13.297 3.988 ( -12.872 -0.000 0.000) 12.872 4.422 ( 4.633 0.000 0.000) 4.633 4.441 ( -12.838 -0.000 0.000) 12.838 4.924 ( -8.993 -0.000 0.000) 8.993 5.207 ( -20.970 -0.000 0.000) 20.970 5.229 ( -24.508 -0.000 0.000) 24.508 5.862 ( 10.389 0.000 0.000) 10.389 5.925 ( 7.977 0.000 0.000) 7.977 6.408 ( 4.689 0.000 0.000) 4.689 6.463 ( 9.853 0.000 0.000) 9.853 6.496 ( 0.408 0.000 0.000) 0.408 6.665 ( -5.571 -0.000 0.000) 5.571 7.630 ( -1.932 -0.000 0.000) 1.932 7.834 ( -15.137 -0.000 0.000) 15.137 8.173 ( -2.889 -0.000 0.000) 2.889 8.193 ( 1.758 0.000 0.000) 1.758 8.432 ( -10.715 -0.000 0.000) 10.715 8.550 ( 10.580 0.000 0.000) 10.580 8.618 ( 7.638 0.000 0.000) 7.638 8.676 ( -8.303 -0.000 0.000) 8.303 8.898 ( -18.283 -0.000 0.000) 18.283 9.280 ( -10.951 -0.000 0.000) 10.951 9.489 ( 9.738 0.000 0.000) 9.738 9.509 ( 0.187 0.000 0.000) 0.187 11.113 ( 35.183 0.000 0.000) 35.183 11.148 ( 38.300 0.000 0.000) 38.300 13.238 ( 14.755 0.000 0.000) 14.755 13.918 ( 1.633 0.000 0.000) 1.633 14.119 ( 15.262 0.000 0.000) 15.262 14.873 ( 3.219 0.000 0.000) 3.219======================= Grid point 79 (50/171) =======================q-point: (-0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 0.503 -3.036 0.000) 3.078 1.913 ( 1.952 0.692 0.000) 2.071 1.970 ( -1.462 7.788 0.000) 7.924 2.234 ( -7.092 -1.925 0.000) 7.348 2.314 ( -2.672 -4.399 0.000) 5.147 2.441 ( -4.211 1.915 0.000) 4.626 2.530 ( -15.525 5.900 0.000) 16.608 2.724 ( -22.665 -6.881 0.000) 23.686 2.821 ( -28.037 -0.910 0.000) 28.051 2.910 ( -16.298 -0.389 0.000) 16.302 3.670 ( -15.339 8.765 0.000) 17.667 3.726 ( -7.837 1.158 0.000) 7.922 3.790 ( -10.103 -3.768 0.000) 10.783 4.252 ( -7.575 -2.876 0.000) 8.102 4.471 ( -3.449 -0.171 0.000) 3.454 4.717 ( -11.605 8.162 0.000) 14.188 4.744 ( -19.268 -0.077 0.000) 19.268 4.850 ( -8.785 -10.787 0.000) 13.911 6.071 ( 7.677 2.517 0.000) 8.079 6.099 ( 8.159 0.383 0.000) 8.168 6.489 ( 1.552 1.086 0.000) 1.894 6.597 ( 0.418 -1.349 0.000) 1.412 6.613 ( 10.929 -5.931 0.000) 12.435 6.661 ( 7.000 -5.769 0.000) 9.071 7.519 ( -16.553 -1.389 0.000) 16.611 7.634 ( 2.839 0.349 0.000) 2.860 7.939 ( -20.918 1.314 0.000) 20.960 8.172 ( -13.449 2.086 0.000) 13.610 8.214 ( 0.785 2.904 0.000) 3.008 8.538 ( -8.482 -0.810 0.000) 8.520 8.647 ( -4.655 -3.183 0.000) 5.640 8.726 ( 0.042 -1.330 0.000) 1.330 8.769 ( 11.775 1.318 0.000) 11.849 9.066 ( -8.482 -0.520 0.000) 8.498 9.508 ( -0.546 -0.641 0.000) 0.842 9.706 ( 11.401 1.388 0.000) 11.485 11.786 ( 33.542 4.344 0.000) 33.822 11.907 ( 34.854 -4.300 0.000) 35.118 13.559 ( 17.140 0.409 0.000) 17.144 14.012 ( 7.716 -2.657 0.000) 8.160 14.419 ( 15.031 1.323 0.000) 15.089 14.954 ( 4.657 -1.309 0.000) 4.838======================= Grid point 80 (51/171) =======================q-point: (-0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( -1.966 -6.044 0.000) 6.355 1.872 ( -3.589 8.187 0.000) 8.939 1.880 ( -0.608 13.308 0.000) 13.322 2.043 ( -20.738 7.529 0.000) 22.062 2.148 ( -29.959 -0.585 0.000) 29.965 2.166 ( -17.698 -5.445 0.000) 18.517 2.331 ( -3.530 7.168 0.000) 7.990 2.366 ( -12.136 -17.230 0.000) 21.075 2.385 ( -4.130 -8.846 0.000) 9.762 2.530 ( -20.950 -1.701 0.000) 21.019 3.256 ( -20.663 9.628 0.000) 22.795 3.332 ( -28.656 1.762 0.000) 28.710 3.566 ( -11.353 9.998 0.000) 15.128 4.146 ( -3.067 0.740 0.000) 3.155 4.221 ( -11.820 6.315 0.000) 13.401 4.598 ( -0.504 -7.735 0.000) 7.752 4.652 ( 3.816 0.436 0.000) 3.841 4.889 ( 0.778 -17.489 0.000) 17.507 6.081 ( -2.941 0.757 0.000) 3.037 6.225 ( 5.502 1.412 0.000) 5.681 6.433 ( -5.729 3.806 0.000) 6.878 6.575 ( -6.617 3.865 0.000) 7.664 6.902 ( 13.930 -10.344 0.000) 17.351 6.952 ( 16.457 -8.606 0.000) 18.571 7.213 ( -15.366 -2.668 0.000) 15.595 7.438 ( -25.787 0.924 0.000) 25.804 7.731 ( 5.937 0.354 0.000) 5.948 7.914 ( -12.486 -4.337 0.000) 13.218 8.161 ( -4.022 6.142 0.000) 7.342 8.350 ( -10.067 -4.342 0.000) 10.963 8.626 ( -4.510 4.290 0.000) 6.224 8.694 ( 5.774 1.448 0.000) 5.953 8.977 ( -2.658 0.746 0.000) 2.760 9.005 ( 10.044 -3.251 0.000) 10.557 9.499 ( -0.731 -1.427 0.000) 1.604 9.894 ( 8.179 1.825 0.000) 8.380 12.352 ( 25.796 6.259 0.000) 26.544 12.522 ( 23.972 -4.445 0.000) 24.380 13.876 ( 14.676 1.341 0.000) 14.737 14.256 ( 13.719 -4.616 0.000) 14.475 14.684 ( 12.531 2.494 0.000) 12.777 15.070 ( 5.560 -2.530 0.000) 6.109======================= Grid point 81 (52/171) =======================q-point: (-0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( -25.046 7.911 0.000) 26.266 1.504 ( -29.565 0.471 0.000) 29.569 1.677 ( -1.395 2.088 0.000) 2.511 1.741 ( -8.357 3.133 0.000) 8.925 1.820 ( 0.568 4.781 0.000) 4.815 1.846 ( -11.153 -1.508 0.000) 11.255 2.098 ( -16.970 0.413 0.000) 16.975 2.246 ( 0.951 14.002 0.000) 14.034 2.424 ( -0.498 -11.803 0.000) 11.813 2.472 ( 0.590 -23.190 0.000) 23.197 2.741 ( -26.085 2.324 0.000) 26.188 2.799 ( -19.039 2.855 0.000) 19.252 3.262 ( -6.291 28.807 0.000) 29.486 4.033 ( -3.712 7.160 0.000) 8.065 4.118 ( 0.120 1.231 0.000) 1.236 4.684 ( 1.704 -11.973 0.000) 12.094 4.742 ( 3.696 -1.152 0.000) 3.871 5.042 ( 1.812 -23.602 0.000) 23.671 6.035 ( -1.480 -3.739 0.000) 4.022 6.218 ( -7.988 8.107 0.000) 11.381 6.324 ( -13.325 4.417 0.000) 14.038 6.343 ( 4.036 -0.532 0.000) 4.071 6.954 ( -11.951 -1.673 0.000) 12.067 6.984 ( -15.795 -0.771 0.000) 15.814 7.259 ( 16.412 -4.624 0.000) 17.051 7.313 ( 11.573 -9.392 0.000) 14.904 7.756 ( -7.989 -10.405 0.000) 13.118 7.802 ( 0.888 1.624 0.000) 1.851 7.987 ( -8.432 9.273 0.000) 12.533 8.218 ( -5.861 -5.553 0.000) 8.074 8.598 ( 4.124 4.508 0.000) 6.110 8.806 ( 5.797 2.629 0.000) 6.365 8.855 ( -6.595 5.280 0.000) 8.448 9.208 ( 6.620 -3.377 0.000) 7.431 9.506 ( -0.013 -4.368 0.000) 4.368 10.000 ( 3.859 2.433 0.000) 4.562 12.700 ( 13.078 7.034 0.000) 14.849 12.901 ( 12.052 -3.172 0.000) 12.462 14.098 ( 8.053 1.733 0.000) 8.237 14.545 ( 11.019 -4.327 0.000) 11.838 14.870 ( 7.496 2.864 0.000) 8.025 15.183 ( 3.734 -2.869 0.000) 4.709======================= Grid point 82 (53/171) =======================q-point: (-0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.118 ( -0.000 11.549 0.000) 11.549 1.151 ( -0.000 2.614 0.000) 2.614 1.613 ( -0.000 16.640 0.000) 16.640 1.634 ( 0.000 -5.919 0.000) 5.919 1.757 ( -0.000 1.651 0.000) 1.651 1.849 ( 0.000 -11.465 0.000) 11.465 1.907 ( -0.000 0.333 0.000) 0.333 2.195 ( -0.000 20.049 0.000) 20.049 2.373 ( -0.000 0.779 0.000) 0.779 2.526 ( 0.000 -12.650 0.000) 12.650 2.564 ( -0.000 2.394 0.000) 2.394 2.629 ( 0.000 -19.221 0.000) 19.221 3.009 ( -0.000 31.466 0.000) 31.466 3.962 ( -0.000 5.900 0.000) 5.900 4.111 ( -0.000 3.161 0.000) 3.161 4.781 ( -0.000 1.617 0.000) 1.617 4.785 ( 0.000 -15.691 0.000) 15.691 5.220 ( 0.000 -27.327 0.000) 27.327 6.050 ( -0.000 11.868 0.000) 11.868 6.086 ( 0.000 -9.935 0.000) 9.935 6.104 ( -0.000 10.420 0.000) 10.420 6.419 ( 0.000 -2.227 0.000) 2.227 6.795 ( -0.000 0.290 0.000) 0.290 6.854 ( 0.000 -2.932 0.000) 2.932 7.524 ( 0.000 -13.830 0.000) 13.830 7.551 ( 0.000 -10.704 0.000) 10.704 7.675 ( -0.000 21.349 0.000) 21.349 7.719 ( 0.000 -10.597 0.000) 10.597 7.843 ( -0.000 1.809 0.000) 1.809 8.196 ( 0.000 -6.869 0.000) 6.869 8.676 ( -0.000 7.195 0.000) 7.195 8.702 ( -0.000 1.960 0.000) 1.960 8.855 ( -0.000 2.744 0.000) 2.744 9.277 ( -0.000 1.558 0.000) 1.558 9.550 ( 0.000 -7.906 0.000) 7.906 10.021 ( -0.000 3.163 0.000) 3.163 12.785 ( -0.000 7.442 0.000) 7.442 13.034 ( 0.000 -1.370 0.000) 1.370 14.165 ( -0.000 1.988 0.000) 1.988 14.688 ( 0.000 -4.438 0.000) 4.438 14.929 ( -0.000 3.208 0.000) 3.208 15.239 ( 0.000 -3.148 0.000) 3.148======================= Grid point 93 (54/171) =======================q-point: (-0.57 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.656 ( -2.083 -0.000 0.000) 2.083 1.951 ( -2.351 -0.000 0.000) 2.351 1.981 ( -0.114 -0.000 0.000) 0.114 2.077 ( -9.494 -0.000 0.000) 9.494 2.141 ( -27.350 -0.000 0.000) 27.350 2.182 ( -17.847 -0.000 0.000) 17.847 2.187 ( -24.456 -0.000 0.000) 24.456 2.298 ( -8.413 -0.000 0.000) 8.413 2.395 ( -1.590 -0.000 0.000) 1.590 2.526 ( -21.879 -0.000 0.000) 21.879 3.311 ( -24.226 -0.000 0.000) 24.226 3.343 ( -28.558 -0.000 0.000) 28.558 3.636 ( -5.076 -0.000 0.000) 5.076 4.149 ( -2.918 -0.000 0.000) 2.918 4.273 ( -9.125 -0.000 0.000) 9.125 4.551 ( -1.181 -0.000 0.000) 1.181 4.639 ( -4.053 -0.000 0.000) 4.053 4.779 ( 4.307 0.000 0.000) 4.307 6.083 ( -4.781 -0.000 0.000) 4.781 6.233 ( 5.465 0.000 0.000) 5.465 6.461 ( -5.379 -0.000 0.000) 5.379 6.616 ( -8.195 -0.000 0.000) 8.195 6.823 ( 18.294 0.000 0.000) 18.294 6.893 ( 17.800 0.000 0.000) 17.800 7.197 ( -15.067 -0.000 0.000) 15.067 7.444 ( -26.826 -0.000 0.000) 26.826 7.733 ( 5.755 0.000 0.000) 5.755 7.888 ( -14.094 -0.000 0.000) 14.094 8.199 ( -3.472 -0.000 0.000) 3.472 8.323 ( -9.900 -0.000 0.000) 9.900 8.656 ( -4.288 -0.000 0.000) 4.288 8.704 ( 6.411 0.000 0.000) 6.411 8.981 ( 9.011 0.000 0.000) 9.011 8.982 ( -1.161 -0.000 0.000) 1.161 9.490 ( -0.981 -0.000 0.000) 0.981 9.905 ( 8.063 0.000 0.000) 8.063 12.403 ( 26.408 0.000 0.000) 26.408 12.480 ( 23.604 0.000 0.000) 23.604 13.886 ( 14.845 0.000 0.000) 14.845 14.226 ( 14.081 0.000 0.000) 14.081 14.699 ( 12.443 0.000 0.000) 12.443 15.054 ( 5.646 0.000 0.000) 5.646======================= Grid point 95 (55/171) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( -27.283 -0.276 0.000) 27.284 1.550 ( -24.396 3.816 0.000) 24.693 1.631 ( -3.651 -3.174 0.000) 4.838 1.736 ( -17.411 -2.231 0.000) 17.553 1.941 ( -1.706 15.540 0.000) 15.633 1.961 ( 1.491 10.616 0.000) 10.720 2.097 ( -15.126 -1.798 0.000) 15.232 2.195 ( -2.088 -20.420 0.000) 20.526 2.285 ( -0.220 -8.830 0.000) 8.833 2.365 ( 0.004 4.699 0.000) 4.699 2.768 ( -25.525 1.588 0.000) 25.574 2.823 ( -21.133 1.025 0.000) 21.157 3.528 ( -2.564 12.571 0.000) 12.830 4.116 ( -0.777 -0.812 0.000) 1.124 4.140 ( -2.693 9.376 0.000) 9.755 4.591 ( 2.125 -3.709 0.000) 4.275 4.635 ( -0.364 -13.806 0.000) 13.810 4.874 ( 3.172 -3.845 0.000) 4.985 5.993 ( -3.694 -2.270 0.000) 4.336 6.296 ( -6.670 4.353 0.000) 7.965 6.333 ( 2.612 -1.109 0.000) 2.837 6.377 ( -12.131 2.969 0.000) 12.489 6.934 ( -10.787 -1.086 0.000) 10.842 6.982 ( -17.372 0.083 0.000) 17.372 7.206 ( 17.259 -2.931 0.000) 17.506 7.234 ( 12.854 -3.524 0.000) 13.328 7.669 ( -8.371 -3.807 0.000) 9.196 7.811 ( 1.852 0.256 0.000) 1.870 8.074 ( -7.576 3.979 0.000) 8.557 8.174 ( -5.509 -1.848 0.000) 5.811 8.646 ( 4.001 2.581 0.000) 4.761 8.827 ( 5.430 0.920 0.000) 5.507 8.926 ( -3.783 5.720 0.000) 6.858 9.139 ( 5.238 -6.222 0.000) 8.133 9.475 ( -0.684 -1.035 0.000) 1.241 10.021 ( 3.879 0.881 0.000) 3.978 12.780 ( 13.049 6.323 0.000) 14.500 12.850 ( 12.365 -5.187 0.000) 13.409 14.117 ( 8.256 1.051 0.000) 8.322 14.505 ( 11.520 -1.887 0.000) 11.673 14.894 ( 7.208 1.068 0.000) 7.287 15.159 ( 4.025 -1.092 0.000) 4.171======================= Grid point 96 (56/171) =======================q-point: (-0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( -0.000 1.347 0.000) 1.347 1.234 ( -0.000 7.464 0.000) 7.464 1.567 ( 0.000 -4.831 0.000) 4.831 1.636 ( 0.000 -6.766 0.000) 6.766 1.843 ( -0.000 12.611 0.000) 12.611 1.905 ( -0.000 15.009 0.000) 15.009 1.911 ( -0.000 0.293 0.000) 0.293 2.340 ( 0.000 -25.237 0.000) 25.237 2.352 ( 0.000 -7.541 0.000) 7.541 2.380 ( -0.000 0.431 0.000) 0.431 2.414 ( -0.000 7.007 0.000) 7.007 2.586 ( -0.000 1.247 0.000) 1.247 3.385 ( -0.000 25.532 0.000) 25.532 4.051 ( -0.000 9.989 0.000) 9.989 4.118 ( 0.000 -1.363 0.000) 1.363 4.646 ( 0.000 -7.289 0.000) 7.289 4.734 ( 0.000 -13.746 0.000) 13.746 4.949 ( 0.000 -12.508 0.000) 12.508 5.984 ( 0.000 -6.341 0.000) 6.341 6.168 ( -0.000 7.320 0.000) 7.320 6.208 ( -0.000 6.493 0.000) 6.493 6.390 ( 0.000 -2.168 0.000) 2.168 6.800 ( -0.000 0.456 0.000) 0.456 6.825 ( 0.000 -1.775 0.000) 1.775 7.401 ( 0.000 -6.708 0.000) 6.708 7.446 ( 0.000 -6.434 0.000) 6.434 7.613 ( 0.000 -6.578 0.000) 6.578 7.817 ( -0.000 2.574 0.000) 2.574 7.918 ( -0.000 9.630 0.000) 9.630 8.134 ( 0.000 -3.415 0.000) 3.415 8.719 ( -0.000 0.871 0.000) 0.871 8.794 ( -0.000 11.930 0.000) 11.930 8.879 ( -0.000 1.347 0.000) 1.347 9.242 ( 0.000 -7.637 0.000) 7.637 9.479 ( 0.000 -3.024 0.000) 3.024 10.050 ( -0.000 1.743 0.000) 1.743 12.869 ( -0.000 6.466 0.000) 6.466 13.002 ( 0.000 -3.785 0.000) 3.785 14.190 ( -0.000 1.892 0.000) 1.892 14.642 ( 0.000 -3.005 0.000) 3.005 14.959 ( -0.000 1.750 0.000) 1.750 15.209 ( 0.000 -1.780 0.000) 1.780======================= Grid point 110 (57/171) =======================q-point: ( 0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( -0.000 0.000 0.000) 0.000 1.282 ( -0.000 0.000 0.000) 0.000 1.534 ( -0.000 0.000 0.000) 0.000 1.590 ( -0.000 0.000 0.000) 0.000 1.913 ( -0.000 0.000 0.000) 0.000 2.022 ( -0.000 0.000 0.000) 0.000 2.031 ( -0.000 0.000 0.000) 0.000 2.085 ( -0.000 0.000 0.000) 0.000 2.251 ( -0.000 0.000 0.000) 0.000 2.383 ( -0.000 0.000 0.000) 0.000 2.483 ( -0.000 0.000 0.000) 0.000 2.594 ( -0.000 0.000 0.000) 0.000 3.545 ( 0.000 -0.000 0.000) 0.000 4.104 ( -0.000 0.000 0.000) 0.000 4.157 ( -0.000 0.000 0.000) 0.000 4.572 ( -0.000 0.000 0.000) 0.000 4.605 ( -0.000 0.000 0.000) 0.000 4.901 ( -0.000 0.000 0.000) 0.000 5.945 ( -0.000 0.000 0.000) 0.000 6.214 ( -0.000 0.000 0.000) 0.000 6.249 ( -0.000 0.000 0.000) 0.000 6.376 ( -0.000 0.000 0.000) 0.000 6.804 ( 0.000 -0.000 0.000) 0.000 6.813 ( -0.000 0.000 0.000) 0.000 7.361 ( -0.000 0.000 0.000) 0.000 7.406 ( -0.000 0.000 0.000) 0.000 7.572 ( -0.000 0.000 0.000) 0.000 7.827 ( -0.000 0.000 0.000) 0.000 7.979 ( -0.000 0.000 0.000) 0.000 8.114 ( -0.000 0.000 0.000) 0.000 8.724 ( -0.000 0.000 0.000) 0.000 8.887 ( -0.000 0.000 0.000) 0.000 8.897 ( -0.000 0.000 0.000) 0.000 9.162 ( -0.000 0.000 0.000) 0.000 9.466 ( -0.000 0.000 0.000) 0.000 10.061 ( -0.000 0.000 0.000) 0.000 12.928 ( -0.000 0.000 0.000) 0.000 12.958 ( 0.000 -0.000 0.000) 0.000 14.203 ( -0.000 0.000 0.000) 0.000 14.623 ( -0.000 0.000 0.000) 0.000 14.970 ( -0.000 0.000 0.000) 0.000 15.198 ( -0.000 0.000 0.000) 0.000======================= Grid point 205 (58/171) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.345 ( 0.000 0.000 15.556) 15.556 0.600 ( 0.000 0.000 26.660) 26.660 0.879 ( 0.000 0.000 -7.810) 7.810 1.000 ( 0.000 0.000 45.811) 45.811 1.416 ( 0.000 0.000 -8.531) 8.531 1.841 ( 0.000 0.000 2.878) 2.878 1.972 ( 0.000 0.000 -2.145) 2.145 2.339 ( 0.000 0.000 0.812) 0.812 2.378 ( 0.000 0.000 -0.629) 0.629 2.672 ( 0.000 0.000 -3.074) 3.074 2.747 ( 0.000 0.000 -26.229) 26.229 2.873 ( 0.000 0.000 -16.307) 16.307 3.332 ( 0.000 0.000 8.633) 8.633 3.573 ( 0.000 0.000 -1.064) 1.064 4.025 ( 0.000 0.000 18.958) 18.958 4.561 ( 0.000 0.000 -6.190) 6.190 5.525 ( 0.000 0.000 1.382) 1.382 5.608 ( 0.000 0.000 -1.717) 1.717 5.731 ( 0.000 0.000 0.659) 0.659 5.772 ( 0.000 0.000 -0.649) 0.649 6.044 ( 0.000 0.000 3.892) 3.892 6.224 ( 0.000 0.000 -2.899) 2.899 6.830 ( 0.000 0.000 2.864) 2.864 6.964 ( 0.000 0.000 5.347) 5.347 6.978 ( 0.000 0.000 -2.604) 2.604 7.267 ( 0.000 0.000 -5.821) 5.821 8.257 ( 0.000 0.000 0.637) 0.637 8.313 ( 0.000 0.000 -1.924) 1.924 8.370 ( 0.000 0.000 2.626) 2.626 8.430 ( 0.000 0.000 2.686) 2.686 8.493 ( 0.000 0.000 -1.232) 1.232 8.525 ( 0.000 0.000 -1.324) 1.324 8.893 ( 0.000 0.000 -0.298) 0.298 9.161 ( 0.000 0.000 -8.058) 8.058 9.274 ( 0.000 0.000 12.749) 12.749 9.751 ( 0.000 0.000 -6.086) 6.086 12.479 ( 0.000 0.000 6.445) 6.445 12.819 ( 0.000 0.000 -5.956) 5.956 14.062 ( 0.000 0.000 3.955) 3.955 14.296 ( 0.000 0.000 -4.885) 4.885 15.458 ( 0.000 0.000 3.861) 3.861 15.627 ( 0.000 0.000 -2.534) 2.534======================= Grid point 206 (59/171) =======================q-point: ( 0.07 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.675 ( 10.122 1.697 22.239) 24.493 0.863 ( 17.477 -10.853 19.305) 28.212 1.328 ( 33.542 -6.610 20.486) 39.855 1.364 ( 36.348 -2.577 -3.420) 36.599 1.427 ( 5.266 -2.744 2.375) 6.396 2.015 ( 16.043 0.823 3.473) 16.436 2.188 ( 20.154 1.779 -2.175) 20.349 2.355 ( -4.733 13.557 -9.213) 17.061 2.537 ( 12.596 -4.581 -2.935) 13.720 2.589 ( 19.694 -0.656 1.695) 19.778 2.750 ( -1.546 -3.484 -15.454) 15.917 2.952 ( 8.603 -5.914 -23.747) 25.941 3.241 ( -1.814 7.842 14.958) 16.986 3.551 ( -1.159 3.372 -1.254) 3.780 4.015 ( -1.423 -3.446 17.930) 18.313 4.525 ( -2.781 0.153 -6.293) 6.882 5.664 ( -2.146 8.087 2.149) 8.639 5.760 ( 1.691 -2.837 -0.923) 3.429 5.943 ( 5.178 -2.111 -2.247) 6.026 6.055 ( 12.384 3.153 -5.426) 13.883 6.136 ( 11.029 -6.657 -0.843) 12.910 6.546 ( 23.838 15.501 -17.154) 33.208 6.776 ( 2.375 -9.713 1.949) 10.187 7.060 ( 10.223 1.695 -3.515) 10.943 7.189 ( 13.009 -1.393 3.869) 13.643 7.471 ( 16.199 -5.846 -11.166) 20.525 8.082 ( -13.042 5.264 1.272) 14.122 8.106 ( -10.441 3.179 -0.433) 10.923 8.385 ( -2.946 -3.644 1.398) 4.890 8.489 ( -2.052 -0.399 -1.456) 2.547 8.510 ( 0.751 2.182 0.781) 2.436 8.544 ( 6.802 0.294 -0.323) 6.816 8.902 ( 1.797 2.155 -0.056) 2.806 9.289 ( 5.053 -0.952 -15.098) 15.949 9.317 ( 4.607 -0.770 10.489) 11.482 9.807 ( 3.082 -1.646 -5.772) 6.747 12.366 ( -11.891 -2.444 6.473) 13.758 12.712 ( -11.122 -1.439 -6.088) 12.761 14.073 ( -0.418 -0.186 -5.135) 5.155 14.204 ( -9.041 0.179 -4.987) 10.326 15.299 ( -17.713 4.409 14.933) 23.583 15.415 ( -6.402 -2.133 3.121) 7.435======================= Grid point 207 (60/171) =======================q-point: ( 0.14 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.942 ( 15.234 1.472 15.513) 21.792 1.222 ( 13.547 -18.711 19.569) 30.275 1.599 ( 11.530 -4.941 4.538) 13.340 1.918 ( 14.984 5.627 -15.160) 22.046 2.141 ( 29.997 -3.025 2.918) 30.290 2.339 ( 16.908 5.280 -6.184) 18.762 2.373 ( 13.145 -0.136 1.879) 13.279 2.667 ( 27.126 4.805 -2.101) 27.628 2.770 ( 11.894 1.080 -8.271) 14.527 2.921 ( 19.538 -7.013 -9.536) 22.845 3.130 ( 28.335 -4.074 1.127) 28.648 3.179 ( 4.278 11.693 12.555) 17.682 3.272 ( 14.785 -7.106 -10.449) 19.449 3.526 ( 5.809 6.595 -3.102) 9.320 4.038 ( 1.657 -6.557 14.311) 15.828 4.456 ( -3.985 -0.660 -5.177) 6.567 5.518 ( -7.087 9.444 4.740) 12.723 5.767 ( -2.556 3.504 -4.599) 6.321 5.901 ( -3.174 -1.498 1.706) 3.902 6.008 ( -6.574 -3.480 -4.152) 8.519 6.522 ( 11.350 0.835 -1.687) 11.505 6.767 ( 6.550 3.641 -11.264) 13.529 7.048 ( 19.410 -3.077 9.543) 21.847 7.314 ( 14.050 2.521 -1.738) 14.380 7.447 ( 13.075 4.580 5.814) 15.024 7.701 ( 1.494 3.463 -3.702) 5.285 7.824 ( -6.135 2.713 3.328) 7.488 7.933 ( -1.961 -1.288 -0.898) 2.512 8.382 ( 1.732 -1.112 -1.769) 2.714 8.395 ( -5.577 2.217 -1.657) 6.226 8.464 ( -3.542 0.351 3.163) 4.762 8.702 ( 7.635 0.174 -6.768) 10.204 8.952 ( 4.459 1.378 0.002) 4.667 9.305 ( -1.046 3.964 -7.396) 8.456 9.420 ( 3.666 -2.705 6.273) 7.753 9.824 ( -2.177 0.159 -1.344) 2.564 12.051 ( -21.175 -3.143 6.181) 22.281 12.400 ( -21.564 -2.184 -6.451) 22.614 13.942 ( -14.622 2.093 -3.045) 15.082 14.020 ( -7.054 -0.804 -13.225) 15.010 14.985 ( -12.712 0.671 17.956) 22.011 15.293 ( -6.340 0.641 -0.320) 6.380======================= Grid point 208 (61/171) =======================q-point: ( 0.21 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( 10.322 -2.702 11.658) 15.804 1.608 ( 13.568 -14.901 13.240) 24.113 1.903 ( 15.401 -5.073 1.830) 16.318 1.995 ( 4.222 12.167 -17.362) 21.618 2.413 ( 0.456 -0.135 -11.456) 11.466 2.449 ( 5.076 -5.112 -9.520) 11.939 2.873 ( 8.696 6.405 7.232) 12.998 2.939 ( 19.097 4.277 5.633) 20.365 3.128 ( 19.304 1.507 1.168) 19.398 3.255 ( 1.479 6.684 -0.225) 6.850 3.437 ( 27.885 -1.191 -2.158) 27.994 3.548 ( 24.458 2.275 -0.485) 24.568 3.674 ( 20.988 0.584 3.991) 21.372 3.920 ( 25.592 -5.835 -5.805) 26.883 4.226 ( 13.199 -9.230 5.345) 16.969 4.420 ( 3.099 -2.781 -2.729) 4.979 5.286 ( -9.872 9.770 5.797) 15.050 5.598 ( -9.207 9.503 -5.705) 14.409 5.864 ( -3.227 -3.721 1.068) 5.040 5.894 ( -7.440 -5.148 -0.960) 9.099 6.748 ( 13.720 2.907 0.069) 14.025 6.882 ( 8.267 2.046 -5.539) 10.159 7.168 ( -6.987 1.176 5.845) 9.185 7.371 ( -7.250 9.790 -1.676) 12.297 7.665 ( 13.190 2.263 0.569) 13.395 7.694 ( 8.153 0.891 -0.637) 8.227 7.834 ( 3.996 4.025 6.496) 8.623 8.024 ( 1.578 0.098 3.911) 4.219 8.282 ( -2.776 5.527 0.539) 6.208 8.441 ( 2.878 -1.837 -1.269) 3.642 8.475 ( 5.421 -3.837 -1.409) 6.789 8.803 ( 0.484 -1.594 -13.914) 14.013 9.045 ( 5.958 2.057 0.349) 6.312 9.262 ( 1.200 3.969 -3.184) 5.228 9.499 ( 3.249 -1.112 8.547) 9.211 9.731 ( -6.077 2.005 3.945) 7.518 11.593 ( -25.622 -1.665 4.377) 26.046 11.889 ( -30.888 -1.772 -6.272) 31.569 13.609 ( -16.989 1.427 -0.878) 17.071 13.834 ( -11.693 -0.430 -15.102) 19.104 14.761 ( -9.734 1.661 17.050) 19.703 15.162 ( -6.006 2.107 -2.853) 6.975======================= Grid point 209 (62/171) =======================q-point: ( 0.29 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( 5.717 -4.938 8.444) 11.330 1.852 ( 3.714 -4.112 -1.476) 5.734 2.041 ( 5.633 4.005 -1.931) 7.176 2.237 ( 14.472 -3.069 -3.329) 15.164 2.431 ( 3.968 -0.870 -7.313) 8.365 2.527 ( -0.189 -3.248 -9.712) 10.243 2.836 ( 0.861 7.681 5.286) 9.364 3.085 ( -1.359 9.582 -3.058) 10.150 3.382 ( 5.454 -3.592 9.430) 11.471 3.455 ( 17.644 0.049 4.662) 18.250 3.924 ( 16.396 -2.413 -0.511) 16.581 3.999 ( 15.727 -2.138 -1.912) 15.986 4.016 ( 19.481 9.270 2.443) 21.712 4.225 ( 10.846 8.561 -5.615) 14.916 4.659 ( 24.130 -12.484 2.990) 27.332 4.790 ( 22.449 -9.271 -2.418) 24.409 5.053 ( -6.656 6.791 5.659) 11.066 5.341 ( -10.006 7.901 -4.802) 13.624 5.772 ( -8.269 -6.440 0.391) 10.489 5.807 ( -4.663 -3.140 -0.354) 5.632 6.911 ( -6.914 6.407 2.815) 9.838 7.039 ( 14.183 7.728 -0.452) 16.159 7.050 ( 1.650 7.933 -0.468) 8.116 7.155 ( -1.097 11.448 -0.479) 11.510 7.766 ( -1.003 0.359 2.334) 2.566 7.890 ( 7.707 4.502 2.115) 9.173 7.948 ( 9.420 1.416 1.643) 9.667 8.022 ( 2.338 -2.430 1.966) 3.903 8.245 ( 3.080 4.495 2.990) 6.216 8.489 ( -1.779 -0.297 -4.187) 4.559 8.567 ( 0.272 -6.213 -2.394) 6.664 8.733 ( -5.721 -1.764 -14.406) 15.600 9.167 ( 4.246 2.522 3.681) 6.159 9.316 ( 5.553 1.074 -1.491) 5.850 9.540 ( -1.171 3.367 7.039) 7.890 9.612 ( -1.265 0.713 7.527) 7.666 11.098 ( -23.649 0.823 0.192) 23.664 11.231 ( -35.374 -1.812 -4.852) 35.752 13.272 ( -15.921 1.627 1.055) 16.039 13.592 ( -12.637 -1.283 -15.269) 19.862 14.573 ( -7.766 2.747 16.460) 18.406 15.029 ( -5.916 2.932 -4.431) 7.952======================= Grid point 210 (63/171) =======================q-point: ( 0.36 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( 3.149 -5.985 4.764) 8.272 1.870 ( 0.311 5.995 -10.146) 11.789 2.096 ( -0.209 -4.964 7.692) 9.157 2.436 ( -0.383 -0.245 -4.790) 4.811 2.484 ( 5.106 6.614 1.311) 8.458 2.608 ( 5.652 -3.282 -8.421) 10.660 2.875 ( 7.211 2.402 1.988) 7.857 3.057 ( 3.929 0.821 -5.902) 7.137 3.446 ( -0.076 -4.717 11.212) 12.164 3.697 ( 6.992 4.344 1.869) 8.441 4.053 ( -0.516 0.830 -1.642) 1.911 4.088 ( 0.082 8.931 -2.307) 9.224 4.360 ( 14.952 0.872 3.486) 15.378 4.509 ( 18.280 8.747 -2.534) 20.423 4.922 ( 0.444 -0.118 3.072) 3.106 5.096 ( 1.359 -1.092 -4.047) 4.407 5.226 ( 12.682 -8.059 1.748) 15.127 5.287 ( 15.547 -4.882 0.869) 16.319 5.663 ( -5.155 -6.209 -0.594) 8.092 5.728 ( -4.238 -2.908 -1.588) 5.380 6.702 ( -6.854 10.690 3.232) 13.103 6.829 ( -9.772 15.100 -1.333) 18.035 7.198 ( 5.961 10.054 2.548) 11.962 7.315 ( 16.512 14.964 -1.375) 22.326 7.759 ( 1.440 -3.105 4.694) 5.810 8.008 ( 5.701 5.537 -0.059) 7.948 8.054 ( 1.585 -1.177 -1.115) 2.267 8.113 ( 7.528 -0.675 -0.431) 7.571 8.355 ( -7.666 -1.122 -2.040) 8.012 8.384 ( 7.155 -3.531 4.714) 9.267 8.593 ( -5.497 -5.453 -7.517) 10.791 8.653 ( -0.485 -4.022 -5.519) 6.846 9.116 ( -5.093 4.970 9.532) 11.895 9.389 ( -1.347 0.632 -2.936) 3.291 9.502 ( 2.271 -0.501 4.478) 5.046 9.650 ( 3.519 2.999 2.695) 5.352 10.567 ( -30.261 -1.418 -1.564) 30.335 10.682 ( -17.656 2.742 -3.706) 18.248 12.964 ( -13.548 3.050 2.887) 14.184 13.368 ( -10.450 -1.539 -15.736) 18.952 14.431 ( -4.933 1.761 15.878) 16.720 14.902 ( -4.986 2.201 -5.014) 7.406======================= Grid point 211 (64/171) =======================q-point: ( 0.43 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( 2.080 -6.290 1.218) 6.736 1.815 ( -1.090 8.128 -8.341) 11.697 2.132 ( 0.038 -8.933 8.562) 12.374 2.347 ( -2.824 7.809 4.444) 9.419 2.531 ( 1.391 3.875 -2.653) 4.897 2.667 ( 0.170 -1.513 -7.049) 7.211 3.084 ( 11.914 -3.404 1.145) 12.444 3.223 ( 9.576 -3.328 -7.198) 12.433 3.459 ( -1.179 -3.677 7.494) 8.431 3.675 ( -4.474 8.522 0.591) 9.643 3.953 ( -5.880 9.335 -0.866) 11.067 4.016 ( -1.876 -0.244 -2.738) 3.328 4.571 ( 6.978 0.343 6.224) 9.357 4.779 ( 12.267 3.632 -2.456) 13.027 4.968 ( 2.801 0.222 1.872) 3.377 5.078 ( 0.026 -0.067 -2.206) 2.208 5.340 ( -4.927 -4.362 2.811) 7.155 5.590 ( 1.056 -2.093 -5.739) 6.199 5.657 ( 8.792 -7.631 3.577) 12.179 5.811 ( 8.919 -5.512 -1.580) 10.603 6.509 ( -6.646 10.832 0.938) 12.743 6.548 ( -8.790 11.832 0.604) 14.752 7.240 ( 4.439 7.865 6.443) 11.094 7.528 ( 13.688 14.866 -3.630) 20.531 7.836 ( 3.295 -2.668 3.499) 5.497 7.988 ( -1.329 1.972 -1.982) 3.096 8.147 ( -0.264 0.862 0.106) 0.907 8.210 ( -3.910 -8.709 -1.809) 9.716 8.276 ( 5.393 -4.242 0.997) 6.934 8.413 ( -4.235 1.209 -3.993) 5.944 8.565 ( 0.184 -0.703 4.901) 4.955 8.759 ( 7.485 -8.435 -1.425) 11.366 8.976 ( -5.014 4.707 5.863) 9.037 9.290 ( -7.137 1.881 -5.590) 9.258 9.565 ( 0.750 -2.316 1.926) 3.104 9.677 ( 1.241 3.126 -3.064) 4.550 10.127 ( -12.700 -1.234 4.046) 13.386 10.374 ( -11.337 4.241 -3.694) 12.656 12.722 ( -8.308 2.895 4.575) 9.917 13.208 ( -6.131 -0.827 -16.454) 17.578 14.358 ( -2.002 0.316 15.040) 15.176 14.815 ( -2.746 0.785 -4.948) 5.713======================= Grid point 212 (65/171) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.639 ( 0.000 -0.000 -0.606) 0.606 1.765 ( 0.000 0.000 -6.416) 6.416 2.180 ( 0.000 0.000 8.099) 8.099 2.276 ( 0.000 -0.000 6.811) 6.811 2.528 ( 0.000 -0.000 -2.845) 2.845 2.670 ( 0.000 -0.000 -6.723) 6.723 3.276 ( -0.000 -0.000 1.711) 1.711 3.385 ( -0.000 0.000 -7.077) 7.077 3.421 ( 0.000 -0.000 3.646) 3.646 3.541 ( 0.000 -0.000 -0.334) 0.334 3.843 ( 0.000 -0.000 1.433) 1.433 3.999 ( 0.000 0.000 -3.376) 3.376 4.639 ( 0.000 -0.000 7.922) 7.922 4.907 ( 0.000 -0.000 -3.525) 3.525 4.998 ( 0.000 -0.000 1.629) 1.629 5.082 ( 0.000 -0.000 -1.505) 1.505 5.276 ( 0.000 -0.000 4.039) 4.039 5.566 ( 0.000 -0.000 -6.309) 6.309 5.831 ( 0.000 -0.000 2.939) 2.939 5.952 ( 0.000 -0.000 -1.468) 1.468 6.367 ( 0.000 -0.000 1.296) 1.296 6.413 ( 0.000 -0.000 0.206) 0.206 7.267 ( 0.000 -0.000 8.097) 8.097 7.637 ( 0.000 -0.000 -4.934) 4.934 7.882 ( 0.000 -0.000 2.135) 2.135 7.962 ( 0.000 -0.000 0.330) 0.330 8.112 ( 0.000 0.000 -3.283) 3.283 8.180 ( -0.000 -0.000 -3.368) 3.368 8.376 ( 0.000 -0.000 0.461) 0.461 8.388 ( 0.000 -0.000 -0.526) 0.526 8.538 ( 0.000 0.000 11.481) 11.481 8.904 ( 0.000 -0.000 1.720) 1.720 8.940 ( 0.000 0.000 0.665) 0.665 9.142 ( 0.000 -0.000 -12.324) 12.324 9.546 ( 0.000 -0.000 3.492) 3.492 9.695 ( 0.000 -0.000 -4.033) 4.033 10.047 ( 0.000 -0.000 3.947) 3.947 10.223 ( 0.000 -0.000 -1.536) 1.536 12.627 ( 0.000 -0.000 5.298) 5.298 13.148 ( 0.000 0.000 -16.784) 16.784 14.339 ( 0.000 -0.000 14.615) 14.615 14.786 ( 0.000 -0.000 -4.831) 4.831======================= Grid point 221 (66/171) =======================q-point: ( 0.07 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( 21.365 0.000 15.542) 26.420 1.031 ( 9.096 0.000 24.650) 26.275 1.570 ( 12.033 0.000 5.402) 13.190 1.953 ( 18.867 0.000 -15.556) 24.453 2.118 ( 31.915 0.000 5.381) 32.366 2.373 ( 13.290 0.000 1.785) 13.409 2.382 ( 8.960 0.000 -9.023) 12.716 2.705 ( 27.872 0.000 -3.432) 28.083 2.771 ( 12.736 0.000 -8.084) 15.084 2.869 ( 21.740 0.000 -12.701) 25.178 3.103 ( 29.116 0.000 0.972) 29.132 3.223 ( 15.561 0.000 -9.511) 18.237 3.261 ( 3.340 0.000 13.618) 14.022 3.569 ( 4.288 0.000 -1.736) 4.626 3.992 ( 1.342 0.000 15.558) 15.616 4.452 ( -4.212 -0.000 -5.735) 7.116 5.581 ( -8.022 -0.000 4.354) 9.127 5.779 ( 0.754 0.000 -2.078) 2.210 5.896 ( -4.908 -0.000 -0.309) 4.917 5.985 ( -6.933 -0.000 -5.577) 8.897 6.525 ( 11.755 0.000 -1.852) 11.900 6.791 ( 3.253 0.000 -12.003) 12.436 7.028 ( 22.246 0.000 10.953) 24.797 7.330 ( 13.731 0.000 -1.468) 13.809 7.479 ( 14.339 0.000 4.936) 15.165 7.722 ( 4.362 0.000 -3.863) 5.827 7.843 ( -8.390 -0.000 2.415) 8.730 7.923 ( -3.492 -0.000 -0.913) 3.609 8.373 ( 2.089 0.000 -2.019) 2.905 8.405 ( -4.230 -0.000 -1.965) 4.664 8.469 ( -4.805 -0.000 3.534) 5.965 8.703 ( 7.036 0.000 -5.624) 9.007 8.962 ( 3.754 0.000 -1.001) 3.885 9.335 ( -0.753 -0.000 -15.332) 15.350 9.398 ( 4.313 0.000 13.760) 14.421 9.825 ( -1.513 -0.000 -1.370) 2.041 12.031 ( -20.580 -0.000 6.448) 21.566 12.386 ( -21.271 -0.000 -6.463) 22.231 13.956 ( -15.482 -0.000 -3.031) 15.776 14.014 ( -6.190 -0.000 -12.640) 14.074 14.989 ( -12.954 -0.000 18.195) 22.335 15.296 ( -5.955 -0.000 -0.709) 5.997======================= Grid point 222 (67/171) =======================q-point: ( 0.14 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.199 ( 8.679 1.129 17.920) 19.943 1.466 ( 17.936 -7.422 12.028) 22.836 1.861 ( 16.048 -1.795 2.982) 16.421 2.131 ( 4.998 8.951 -19.969) 22.447 2.342 ( 3.236 -7.030 -15.447) 17.277 2.440 ( -1.231 0.453 -8.706) 8.804 2.895 ( 25.140 -0.042 7.212) 26.154 3.021 ( 6.922 6.177 6.812) 11.510 3.126 ( 15.941 -1.691 2.956) 16.301 3.317 ( 0.489 3.361 -5.818) 6.737 3.416 ( 25.285 -1.565 1.117) 25.358 3.554 ( 25.504 -0.850 -0.002) 25.518 3.704 ( 28.736 3.037 2.714) 29.024 3.881 ( 25.185 -1.498 -1.212) 25.259 4.138 ( 13.302 -4.397 5.172) 14.934 4.393 ( -0.104 -1.399 -4.005) 4.243 5.372 ( -11.360 3.967 5.504) 13.232 5.695 ( -8.844 6.412 -6.071) 12.498 5.805 ( -5.841 -5.248 0.419) 7.864 5.854 ( -5.476 -1.568 -0.714) 5.741 6.769 ( 14.663 0.779 -0.037) 14.684 6.897 ( 8.588 0.538 -5.270) 10.090 7.173 ( -5.875 -0.007 7.148) 9.252 7.456 ( -6.100 3.838 -3.721) 8.111 7.688 ( 11.074 1.568 1.457) 11.279 7.701 ( 8.340 0.011 1.361) 8.450 7.871 ( 3.760 1.795 5.507) 6.906 8.025 ( 2.515 0.073 4.697) 5.329 8.334 ( -1.843 2.615 -0.531) 3.243 8.424 ( 1.742 -0.994 -0.826) 2.169 8.439 ( 5.184 -1.640 -2.022) 5.801 8.786 ( -0.024 -0.898 -14.584) 14.612 9.062 ( 6.712 0.681 0.067) 6.746 9.299 ( -0.519 1.886 -6.875) 7.148 9.487 ( 4.408 -0.695 12.075) 12.874 9.749 ( -5.704 0.838 3.813) 6.912 11.579 ( -24.485 -0.605 4.665) 24.933 11.874 ( -30.541 -0.679 -6.043) 31.141 13.620 ( -17.387 0.477 -0.948) 17.419 13.829 ( -12.002 -0.291 -14.405) 18.752 14.775 ( -9.169 0.636 16.705) 19.067 15.179 ( -5.701 0.705 -3.235) 6.593======================= Grid point 223 (68/171) =======================q-point: ( 0.21 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( 5.638 -1.667 13.619) 14.834 1.775 ( 8.434 -6.044 6.275) 12.126 2.131 ( 4.549 7.719 -9.228) 12.862 2.215 ( 14.165 0.327 -7.629) 16.092 2.418 ( 1.801 -1.058 -11.690) 11.875 2.453 ( 2.420 -7.929 -12.571) 15.059 2.938 ( -1.325 8.172 9.113) 12.312 3.188 ( -3.847 6.254 1.954) 7.599 3.336 ( 3.928 -3.005 8.295) 9.658 3.445 ( 19.270 -1.431 4.405) 19.819 3.893 ( 20.174 -2.028 -1.286) 20.316 3.950 ( 9.699 -4.276 -2.801) 10.963 4.154 ( 21.536 12.703 3.335) 25.225 4.362 ( 19.020 12.864 -4.444) 23.388 4.501 ( 21.916 -13.565 3.727) 26.042 4.667 ( 21.598 -11.288 -2.872) 24.538 5.124 ( -9.122 4.581 4.893) 11.320 5.429 ( -12.194 6.362 -5.620) 14.858 5.695 ( -8.095 -5.969 1.455) 10.162 5.773 ( -4.790 -2.303 -0.955) 5.400 6.968 ( -5.842 3.288 4.511) 8.081 7.101 ( 12.146 2.756 -1.780) 12.581 7.113 ( 12.203 3.273 1.752) 12.756 7.274 ( -4.372 7.454 -2.335) 8.952 7.785 ( -1.327 2.480 2.646) 3.862 7.938 ( 8.051 2.996 2.332) 8.902 7.955 ( 9.138 -0.777 1.777) 9.342 7.998 ( 1.181 -0.789 5.826) 5.997 8.313 ( 1.814 6.325 0.058) 6.580 8.465 ( 1.153 -5.197 -3.163) 6.192 8.522 ( -1.757 0.028 -5.839) 6.098 8.705 ( -7.323 -2.625 -14.420) 16.384 9.194 ( 5.124 1.696 3.211) 6.280 9.326 ( 3.581 0.537 -2.430) 4.361 9.575 ( 1.486 2.463 7.826) 8.338 9.615 ( -3.350 -0.207 8.446) 9.088 11.105 ( -22.572 0.380 -0.120) 22.575 11.210 ( -35.861 -1.377 -4.285) 36.143 13.288 ( -15.389 0.948 0.795) 15.439 13.577 ( -13.009 -1.031 -13.968) 19.115 14.600 ( -7.951 1.657 15.640) 17.623 15.056 ( -6.130 1.588 -4.791) 7.941======================= Grid point 224 (69/171) =======================q-point: ( 0.29 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( 3.398 -3.098 9.912) 10.926 1.890 ( 2.033 -2.385 -1.743) 3.586 2.106 ( -1.464 6.423 -4.424) 7.935 2.404 ( 0.977 -4.773 -9.905) 11.039 2.518 ( 7.303 -0.961 -6.234) 9.650 2.599 ( 7.510 1.680 -4.793) 9.066 2.913 ( 4.475 3.736 4.129) 7.143 3.084 ( -1.405 2.977 -0.206) 3.298 3.390 ( 0.324 -4.164 11.565) 12.296 3.723 ( 7.407 0.345 0.102) 7.416 4.040 ( 1.784 -1.148 1.753) 2.752 4.206 ( 6.396 7.679 -3.779) 10.684 4.384 ( 10.099 4.360 5.347) 12.230 4.623 ( 12.997 9.277 -4.478) 16.584 4.883 ( 6.194 -5.918 3.938) 9.428 5.066 ( 7.719 -4.076 -3.574) 9.433 5.141 ( 11.573 -5.202 1.639) 12.794 5.268 ( 6.220 1.280 -1.626) 6.555 5.584 ( -5.457 -6.549 0.979) 8.580 5.694 ( -4.130 -2.694 -1.896) 5.283 6.810 ( -5.518 7.036 4.476) 9.999 6.996 ( -9.234 12.193 -2.907) 15.569 7.311 ( 7.435 8.671 3.443) 11.929 7.447 ( 15.870 6.354 -0.972) 17.122 7.737 ( 0.534 -0.182 5.604) 5.633 8.035 ( 2.120 -1.742 0.850) 2.872 8.052 ( 0.880 1.319 0.108) 1.590 8.106 ( 6.361 -0.544 0.823) 6.437 8.362 ( -9.330 2.926 -6.382) 11.677 8.376 ( 7.629 1.465 2.285) 8.098 8.523 ( -2.808 -5.331 -5.426) 8.109 8.607 ( -2.033 -4.519 -7.466) 8.961 9.181 ( -3.348 5.635 8.725) 10.913 9.392 ( 0.487 -0.119 -2.216) 2.272 9.485 ( -2.206 -2.348 7.276) 7.958 9.685 ( 4.230 2.595 2.183) 5.422 10.540 ( -30.955 -2.593 -1.092) 31.082 10.707 ( -17.014 1.489 -4.922) 17.774 13.003 ( -12.133 3.185 2.182) 12.732 13.352 ( -10.012 -1.176 -14.033) 17.279 14.447 ( -6.321 0.924 15.273) 16.555 14.924 ( -6.012 1.343 -5.385) 8.182======================= Grid point 225 (70/171) =======================q-point: ( 0.36 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( 2.547 -4.071 5.923) 7.625 1.911 ( 0.379 5.582 -8.414) 10.104 2.044 ( -2.061 -3.372 4.875) 6.276 2.393 ( -2.265 -0.446 -4.160) 4.758 2.606 ( 0.685 8.021 0.821) 8.092 2.650 ( 1.816 -1.068 -5.024) 5.447 3.050 ( 8.022 -2.141 1.819) 8.500 3.180 ( 9.501 -3.973 -7.207) 12.570 3.414 ( -0.289 -3.228 9.758) 10.282 3.745 ( -3.793 3.089 -1.975) 5.275 4.032 ( -1.672 3.484 0.835) 3.953 4.071 ( -8.303 9.413 -0.003) 12.552 4.562 ( 5.935 -1.530 4.470) 7.586 4.771 ( 4.699 -4.556 -3.548) 7.445 4.989 ( 4.603 3.266 2.433) 6.146 5.127 ( 4.996 8.042 -3.013) 9.936 5.291 ( -2.017 -4.034 3.096) 5.470 5.539 ( 12.894 -7.314 1.509) 14.901 5.576 ( -2.045 -4.718 -3.250) 6.083 5.734 ( 7.345 -6.915 -1.347) 10.177 6.648 ( -6.253 11.579 1.241) 13.218 6.705 ( -10.837 13.853 -0.111) 17.589 7.328 ( -0.033 7.287 6.712) 9.907 7.618 ( 1.232 -0.674 -2.980) 3.295 7.809 ( 4.359 -1.953 4.958) 6.885 7.988 ( -3.438 -1.623 -0.694) 3.864 8.065 ( -3.858 -10.412 1.151) 11.163 8.204 ( -1.264 4.918 -4.846) 7.019 8.256 ( 6.681 0.763 -0.060) 6.725 8.439 ( 0.521 2.677 -5.551) 6.185 8.568 ( 4.845 0.779 2.231) 5.390 8.676 ( 6.861 -5.372 -0.493) 8.728 9.045 ( -5.657 6.883 7.240) 11.481 9.316 ( -5.807 2.233 -4.212) 7.514 9.531 ( 2.198 -3.685 3.340) 5.437 9.714 ( 0.344 2.982 -2.449) 3.874 10.091 ( -14.922 -4.231 4.117) 16.047 10.408 ( -12.390 1.688 -5.476) 13.651 12.778 ( -7.502 5.794 3.629) 10.149 13.204 ( -5.110 0.014 -15.128) 15.967 14.351 ( -3.389 -1.293 14.962) 15.396 14.819 ( -3.896 -0.160 -5.240) 6.532======================= Grid point 226 (71/171) =======================q-point: ( 0.43 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( 2.234 -4.489 1.996) 5.397 1.837 ( -2.060 9.408 -7.918) 12.468 2.087 ( 1.275 -10.127 7.978) 12.955 2.340 ( -1.695 4.685 2.358) 5.512 2.545 ( -1.909 3.372 -0.316) 3.888 2.677 ( 1.028 1.204 -5.320) 5.550 3.236 ( 5.475 -6.773 0.435) 8.720 3.367 ( 4.980 -1.480 -3.059) 6.029 3.401 ( -3.126 -2.524 0.786) 4.094 3.571 ( -7.790 3.698 -0.807) 8.661 3.868 ( -5.303 3.768 1.935) 6.787 4.013 ( 0.965 2.352 -2.663) 3.682 4.623 ( -0.863 -2.359 6.304) 6.786 4.833 ( -4.153 -9.277 -2.669) 10.509 5.022 ( 0.894 3.846 2.507) 4.677 5.141 ( 0.446 6.557 -1.722) 6.794 5.290 ( 4.141 2.848 3.064) 5.886 5.560 ( 0.332 -1.099 -5.874) 5.986 5.782 ( 4.468 -7.187 3.097) 9.011 5.911 ( 3.429 -6.292 -1.508) 7.323 6.421 ( -6.480 8.415 1.255) 10.695 6.473 ( -5.820 9.043 -0.051) 10.754 7.244 ( -6.769 -3.706 6.442) 10.052 7.512 ( -15.189 -17.733 -3.206) 23.568 7.880 ( 2.084 -0.106 2.320) 3.120 7.962 ( -1.309 -1.243 -0.808) 1.977 8.083 ( 1.044 -3.914 1.597) 4.355 8.217 ( 6.959 4.978 -4.665) 9.745 8.371 ( 2.532 -1.061 1.031) 2.933 8.421 ( -1.278 4.990 -1.845) 5.472 8.598 ( 2.800 8.724 8.690) 12.628 8.895 ( 2.238 -3.046 0.220) 3.786 8.941 ( 4.708 2.789 1.505) 5.676 9.176 ( -3.133 4.869 -10.703) 12.169 9.554 ( 0.504 1.149 3.329) 3.558 9.699 ( -0.767 0.706 -3.376) 3.533 9.999 ( -0.208 -7.458 4.530) 8.728 10.214 ( -5.417 -1.592 -2.503) 6.176 12.662 ( -0.246 5.387 4.728) 7.172 13.157 ( 0.893 1.326 -16.563) 16.640 14.324 ( -0.782 -2.439 14.913) 15.131 14.777 ( -0.789 -1.376 -4.895) 5.145======================= Grid point 227 (72/171) =======================q-point: (-0.50 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 0.532 1.117 -0.998) 1.589 1.759 ( -1.130 1.596 -6.187) 6.489 2.184 ( 2.389 -6.718 7.935) 10.668 2.282 ( -0.601 3.650 6.504) 7.482 2.505 ( -1.617 -0.838 -1.644) 2.453 2.683 ( 0.200 1.225 -6.698) 6.812 3.129 ( -13.162 3.980 0.544) 13.761 3.262 ( -8.985 3.235 -7.075) 11.884 3.468 ( 2.717 -4.763 3.510) 6.510 3.571 ( 2.766 -6.286 2.106) 7.183 3.858 ( 2.608 -5.943 0.346) 6.499 4.035 ( 2.475 2.520 -4.105) 5.415 4.554 ( -7.526 -2.229 5.347) 9.498 4.705 ( -13.155 -7.498 -1.350) 15.202 4.980 ( -3.192 1.942 2.928) 4.747 5.104 ( -0.791 3.026 -1.526) 3.480 5.394 ( 6.588 4.520 1.578) 8.144 5.604 ( 2.114 0.147 -5.435) 5.834 5.729 ( -8.930 3.780 3.179) 10.205 5.858 ( -8.421 2.117 -1.511) 8.813 6.410 ( 4.243 -5.087 0.847) 6.679 6.438 ( 4.621 -5.712 0.863) 7.398 7.135 ( -7.618 -9.817 3.889) 13.020 7.302 ( -16.940 -21.414 -2.197) 27.392 7.871 ( -2.731 2.759 2.312) 4.519 7.948 ( -0.118 -3.680 -2.334) 4.359 8.135 ( 0.196 -0.605 4.882) 4.923 8.294 ( -5.742 3.533 -1.946) 7.017 8.334 ( -1.539 5.226 -0.627) 5.484 8.408 ( 9.232 -0.529 -4.066) 10.102 8.604 ( 0.708 6.145 7.291) 9.561 8.874 ( -6.009 10.434 -2.660) 12.331 8.931 ( 4.229 -2.472 5.104) 7.074 9.278 ( 7.727 0.256 -7.089) 10.490 9.594 ( 1.129 2.711 1.751) 3.419 9.643 ( -3.326 -2.293 -2.689) 4.853 10.109 ( 11.352 -4.435 3.531) 12.689 10.304 ( 10.394 -7.583 -2.607) 13.127 12.717 ( 7.997 2.000 4.659) 9.469 13.224 ( 6.637 1.704 -17.509) 18.802 14.342 ( 1.235 -2.266 15.611) 15.823 14.799 ( 1.886 -1.910 -4.728) 5.437======================= Grid point 228 (73/171) =======================q-point: (-0.43 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( -2.559 8.362 -0.000) 8.745 1.784 ( 0.279 -7.096 -8.637) 11.181 2.185 ( -0.036 8.555 9.320) 12.651 2.346 ( 2.283 -11.821 6.628) 13.743 2.459 ( -4.305 0.308 -2.743) 5.114 2.645 ( -4.533 2.177 -7.487) 9.019 2.857 ( -10.307 -0.241 0.831) 10.343 3.073 ( -6.766 3.249 -9.740) 12.296 3.489 ( -0.662 1.636 8.528) 8.709 3.619 ( -5.002 -8.355 2.762) 10.122 3.948 ( -0.686 -9.767 -0.873) 9.830 4.082 ( 3.338 1.326 -4.071) 5.429 4.346 ( -15.088 -1.771 2.213) 15.352 4.427 ( -18.209 -4.891 -0.912) 18.876 4.902 ( -3.513 -2.625 3.819) 5.815 5.092 ( 0.236 -1.330 -3.594) 3.839 5.328 ( -14.285 8.539 1.371) 16.699 5.367 ( -15.870 7.455 1.119) 17.569 5.726 ( 5.685 4.147 -1.475) 7.190 5.759 ( 3.549 2.024 -1.203) 4.259 6.567 ( 7.033 -11.249 2.222) 13.451 6.651 ( 8.633 -14.053 -0.371) 16.497 7.070 ( -6.368 -11.575 0.599) 13.225 7.111 ( -13.934 -17.983 -0.461) 22.754 7.797 ( -2.262 2.381 3.950) 5.137 7.948 ( -4.140 -3.097 0.757) 5.226 8.063 ( -2.639 0.591 -1.200) 2.959 8.121 ( -9.064 0.610 -1.330) 9.181 8.373 ( 3.305 1.640 -0.233) 3.697 8.455 ( -5.517 7.328 5.273) 10.580 8.621 ( 6.825 -0.472 -8.172) 10.657 8.731 ( -2.343 8.266 -3.909) 9.439 9.066 ( 6.400 -3.073 9.536) 11.889 9.376 ( 1.979 -1.572 -3.694) 4.476 9.501 ( -6.009 -0.391 2.914) 6.689 9.619 ( -2.397 -2.034 3.370) 4.609 10.564 ( 29.100 -2.250 -1.786) 29.241 10.641 ( 20.132 -4.209 -3.061) 20.794 12.938 ( 13.966 -1.040 3.259) 14.379 13.386 ( 10.318 1.342 -17.537) 20.391 14.406 ( 4.049 -2.402 16.747) 17.396 14.872 ( 4.006 -2.820 -4.570) 6.699======================= Grid point 229 (74/171) =======================q-point: (-0.36 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( -5.087 8.470 2.882) 10.292 1.820 ( -1.102 -7.085 -12.396) 14.321 2.092 ( -5.616 10.115 11.196) 16.100 2.279 ( -11.247 3.786 -1.197) 11.927 2.419 ( -4.844 -4.487 3.187) 7.332 2.524 ( -0.027 -1.730 -8.241) 8.421 2.771 ( -2.777 -4.216 0.094) 5.049 2.990 ( -2.194 -5.012 -8.264) 9.911 3.406 ( -8.616 0.091 6.913) 11.047 3.439 ( -15.796 -2.862 4.232) 16.602 3.898 ( -9.202 -5.816 2.675) 11.210 3.950 ( -24.627 -4.064 0.138) 24.960 4.006 ( -19.705 1.140 -0.595) 19.747 4.192 ( 0.678 2.318 -6.848) 7.262 4.780 ( -23.449 5.630 2.469) 24.242 4.881 ( -17.906 5.760 -1.597) 18.877 4.991 ( -3.285 -1.304 5.406) 6.459 5.245 ( 6.582 -7.888 -4.112) 11.066 5.835 ( 5.734 3.173 -0.006) 6.554 5.848 ( 6.791 4.436 -0.079) 8.112 6.814 ( 8.720 -9.808 1.078) 13.168 6.904 ( -0.507 -14.766 -2.600) 15.002 6.930 ( -3.847 -11.162 2.471) 12.062 7.026 ( -3.952 -9.987 -0.576) 10.756 7.761 ( -2.244 -1.702 3.622) 4.588 7.859 ( -4.232 0.794 1.078) 4.439 7.930 ( -10.594 -1.580 0.493) 10.722 8.041 ( -1.775 0.649 -3.222) 3.735 8.223 ( -6.310 1.075 7.138) 9.588 8.496 ( 2.981 0.857 -1.621) 3.499 8.639 ( -2.706 5.354 -2.663) 6.564 8.744 ( 5.194 0.007 -13.111) 14.102 9.137 ( -3.840 -2.564 4.050) 6.142 9.302 ( -7.355 -1.232 -0.204) 7.460 9.497 ( 3.229 -3.492 6.359) 7.941 9.601 ( 0.554 -1.085 5.995) 6.117 11.086 ( 25.561 -1.210 0.482) 25.594 11.248 ( 35.217 0.765 -5.458) 35.646 13.251 ( 16.197 -1.787 1.233) 16.342 13.603 ( 11.803 0.394 -16.872) 20.594 14.539 ( 7.747 -2.832 17.427) 19.280 14.988 ( 5.583 -3.754 -3.878) 7.765======================= Grid point 230 (75/171) =======================q-point: (-0.29 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.270 ( -9.485 8.511 5.023) 13.698 1.794 ( -7.114 12.060 4.992) 14.865 1.858 ( -8.441 -6.236 -9.641) 14.251 1.986 ( -12.852 8.193 3.305) 15.596 2.382 ( -1.303 -4.138 -2.776) 5.150 2.507 ( -6.924 2.808 -10.499) 12.886 2.755 ( -2.022 -10.679 4.608) 11.805 2.904 ( -18.769 -4.031 2.684) 19.384 3.106 ( -21.730 -2.257 1.670) 21.911 3.166 ( -7.848 -6.972 2.126) 10.711 3.419 ( -28.308 -5.447 -2.944) 28.978 3.523 ( -23.572 0.612 -3.550) 23.845 3.706 ( -15.269 5.437 6.406) 17.429 4.021 ( -21.885 10.233 -8.101) 25.481 4.337 ( -14.157 8.941 3.979) 17.210 4.453 ( -7.097 2.452 -1.426) 7.643 5.151 ( 7.722 -12.370 6.292) 15.882 5.469 ( 8.533 -12.063 -5.735) 15.849 5.902 ( 3.262 2.856 1.757) 4.678 5.960 ( 6.893 5.344 -0.804) 8.759 6.697 ( -11.999 -5.560 0.509) 13.235 6.844 ( -7.592 -4.419 -5.635) 10.436 7.134 ( 9.202 -4.988 3.783) 11.130 7.236 ( 8.845 -12.382 0.240) 15.219 7.637 ( -12.888 -2.237 -0.122) 13.081 7.688 ( -10.841 0.223 -2.414) 11.109 7.786 ( -3.522 -3.586 6.773) 8.434 8.023 ( -1.115 0.029 1.838) 2.150 8.214 ( 2.081 -5.229 2.685) 6.235 8.466 ( -3.864 2.098 -2.862) 5.246 8.523 ( -5.233 4.134 0.204) 6.672 8.818 ( -1.513 0.883 -11.851) 11.980 9.012 ( -4.408 -3.552 1.047) 5.757 9.214 ( -3.332 -3.619 0.124) 4.921 9.511 ( -1.809 0.842 5.408) 5.764 9.705 ( 6.822 -2.009 3.818) 8.072 11.618 ( 27.548 2.431 3.919) 27.931 11.913 ( 31.585 2.075 -6.542) 32.322 13.587 ( 16.305 -2.240 -0.848) 16.480 13.835 ( 11.150 -0.460 -16.155) 19.635 14.738 ( 10.649 -1.969 17.492) 20.573 15.130 ( 6.409 -3.331 -2.195) 7.549======================= Grid point 231 (76/171) =======================q-point: (-0.21 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.993 ( -12.395 9.311 7.602) 17.266 1.454 ( -13.078 19.292 15.436) 27.955 1.684 ( -9.969 8.376 -0.348) 13.025 1.829 ( -8.077 -8.006 -11.724) 16.333 2.162 ( -26.946 -0.058 -2.297) 27.044 2.288 ( -18.315 -3.266 -3.197) 18.876 2.397 ( -21.081 4.685 7.647) 22.909 2.614 ( -26.346 -3.531 -0.282) 26.583 2.739 ( -9.284 -3.985 -7.691) 12.698 2.941 ( -11.112 -11.175 7.724) 17.550 3.073 ( -13.894 2.218 -1.286) 14.129 3.195 ( -28.712 6.332 1.952) 29.467 3.312 ( -1.188 -7.584 -6.545) 10.088 3.489 ( -19.120 7.113 -12.194) 23.767 4.122 ( -2.471 6.769 11.782) 13.811 4.470 ( 3.896 1.671 -4.283) 6.027 5.378 ( 6.515 -13.584 5.830) 16.154 5.685 ( 5.699 -9.923 -6.181) 13.005 5.930 ( 1.390 2.976 3.043) 4.477 6.058 ( 6.031 4.457 -2.617) 7.943 6.498 ( -11.223 -3.220 -0.522) 11.688 6.716 ( -10.409 -4.470 -9.578) 14.835 7.093 ( -13.860 4.002 6.614) 15.870 7.277 ( -12.346 -3.359 -0.861) 12.824 7.388 ( -11.771 -4.693 5.168) 13.685 7.634 ( 2.081 -7.917 -3.422) 8.872 7.796 ( 2.582 -1.449 5.003) 5.813 7.946 ( -0.521 0.711 -0.167) 0.897 8.335 ( 4.313 -7.211 -0.697) 8.431 8.390 ( 0.413 -0.966 -2.872) 3.058 8.479 ( 1.174 3.416 2.597) 4.449 8.695 ( -8.189 -1.115 -7.822) 11.379 8.937 ( -5.682 -0.814 1.970) 6.069 9.254 ( 2.859 -4.303 -2.289) 5.651 9.453 ( -2.883 2.758 2.375) 4.643 9.822 ( 3.695 -0.008 -1.326) 3.926 12.102 ( 22.566 5.125 5.627) 23.815 12.435 ( 22.368 3.621 -6.372) 23.538 13.909 ( 13.578 -3.363 -2.961) 14.298 14.027 ( 8.045 0.293 -14.766) 16.818 14.975 ( 12.435 -0.854 17.476) 21.466 15.278 ( 7.001 -1.879 0.563) 7.271======================= Grid point 232 (77/171) =======================q-point: (-0.14 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.725 ( -6.856 10.808 14.447) 19.301 1.013 ( -25.917 12.386 10.285) 30.510 1.372 ( -33.557 2.534 -5.449) 34.091 1.489 ( -6.854 7.803 0.590) 10.402 1.533 ( -19.674 21.844 23.622) 37.712 1.996 ( -13.853 -2.302 2.665) 14.294 2.149 ( -15.716 -7.745 -7.767) 19.165 2.167 ( -5.684 -11.426 -2.922) 13.092 2.580 ( -16.773 2.042 -0.769) 16.914 2.612 ( -17.411 3.710 0.002) 17.802 2.767 ( -2.514 -1.285 -8.775) 9.218 3.077 ( -1.066 -12.163 8.116) 14.661 3.095 ( -3.917 10.666 -20.447) 23.392 3.465 ( 1.912 -11.114 -3.405) 11.780 4.078 ( 0.821 6.159 15.614) 16.804 4.530 ( 2.682 1.273 -5.877) 6.584 5.550 ( 3.150 -10.691 4.286) 11.941 5.768 ( -2.026 -1.409 -4.334) 4.988 5.917 ( -5.287 -4.198 3.126) 7.439 6.106 ( -5.765 6.639 -5.428) 10.333 6.202 ( -13.984 3.808 -1.014) 14.529 6.378 ( -20.654 -8.456 -6.799) 23.331 6.870 ( -4.168 5.918 0.225) 7.242 7.039 ( -9.014 -1.400 -2.159) 9.374 7.197 ( -8.048 -0.127 6.944) 10.630 7.569 ( -7.716 8.321 -11.665) 16.274 7.981 ( 11.014 -10.607 1.770) 15.393 8.046 ( 5.595 -6.204 -1.427) 8.476 8.398 ( -1.155 -8.024 2.612) 8.517 8.466 ( 0.426 3.455 0.197) 3.487 8.493 ( -1.005 -5.071 -3.704) 6.359 8.565 ( 0.523 5.182 -3.387) 6.213 8.863 ( -2.656 -3.633 3.765) 5.868 9.291 ( -0.670 -0.128 1.959) 2.075 9.353 ( -5.402 4.579 -6.980) 9.944 9.838 ( -1.029 3.135 -5.709) 6.594 12.419 ( 12.333 5.952 6.235) 15.047 12.746 ( 11.285 4.019 -5.654) 13.247 14.072 ( 1.665 -0.786 -5.465) 5.767 14.201 ( 8.800 -0.280 -8.833) 12.471 15.238 ( 11.844 -4.608 14.977) 19.643 15.430 ( 8.150 -0.082 4.586) 9.352======================= Grid point 233 (78/171) =======================q-point: (-0.07 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.436 ( -0.000 13.249 11.826) 17.760 0.618 ( -0.000 6.399 23.311) 24.173 0.900 ( -0.000 3.435 -7.163) 7.944 1.191 ( -0.000 27.335 38.133) 46.919 1.433 ( -0.000 4.275 -4.105) 5.927 1.835 ( 0.000 -0.993 2.611) 2.793 1.957 ( 0.000 -2.383 -2.043) 3.139 2.344 ( -0.000 0.796 1.007) 1.283 2.382 ( 0.000 -29.434 -4.822) 29.827 2.392 ( -0.000 2.260 -0.783) 2.392 2.792 ( 0.000 -0.932 -10.136) 10.179 2.975 ( -0.000 12.934 -26.474) 29.464 3.209 ( 0.000 -16.624 13.539) 21.440 3.551 ( 0.000 -6.291 -4.408) 7.681 4.058 ( -0.000 4.807 17.424) 18.075 4.552 ( -0.000 0.208 -6.413) 6.416 5.553 ( -0.000 4.655 1.348) 4.846 5.634 ( -0.000 4.288 -1.669) 4.601 5.717 ( 0.000 -7.741 6.245) 9.946 5.862 ( -0.000 14.614 -0.846) 14.638 6.147 ( 0.000 -0.008 -3.783) 3.783 6.182 ( -0.000 5.598 -6.047) 8.241 6.828 ( 0.000 -0.313 2.747) 2.764 6.970 ( 0.000 -1.299 -2.501) 2.818 7.076 ( -0.000 10.459 1.644) 10.588 7.365 ( -0.000 17.018 -11.937) 20.787 8.173 ( 0.000 -10.840 1.170) 10.903 8.253 ( 0.000 -9.052 -2.017) 9.273 8.317 ( 0.000 -8.548 1.857) 8.747 8.463 ( 0.000 -5.488 -3.251) 6.379 8.486 ( -0.000 7.251 2.282) 7.602 8.579 ( -0.000 6.917 -1.361) 7.050 8.863 ( 0.000 -4.273 2.814) 5.117 9.221 ( -0.000 8.337 -13.513) 15.878 9.272 ( -0.000 0.216 11.868) 11.870 9.786 ( -0.000 5.045 -6.817) 8.481 12.509 ( -0.000 4.790 6.405) 7.998 12.836 ( -0.000 2.863 -5.321) 6.042 14.072 ( -0.000 1.174 0.502) 1.277 14.296 ( 0.000 -0.159 -6.984) 6.986 15.405 ( 0.000 -7.617 6.745) 10.174 15.587 ( 0.000 -4.713 4.002) 6.183======================= Grid point 236 (79/171) =======================q-point: ( 0.14 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.335 ( 5.357 0.000 15.972) 16.847 1.736 ( 9.996 0.000 6.738) 12.055 2.169 ( 13.146 0.000 -3.394) 13.577 2.249 ( 3.270 0.000 -16.825) 17.140 2.381 ( 6.088 0.000 -13.116) 14.460 2.413 ( 0.265 0.000 -11.902) 11.905 2.996 ( -2.245 -0.000 9.674) 9.931 3.218 ( -4.292 -0.000 8.860) 9.845 3.325 ( 2.111 0.000 2.732) 3.452 3.432 ( 20.877 0.000 4.293) 21.313 3.881 ( 21.647 0.000 -1.723) 21.715 3.921 ( 8.634 0.000 -2.553) 9.004 4.281 ( 25.248 0.000 3.427) 25.480 4.368 ( 19.786 0.000 4.194) 20.225 4.502 ( 23.502 0.000 -4.501) 23.929 4.538 ( 16.838 0.000 -2.783) 17.066 5.153 ( -9.970 -0.000 4.609) 10.984 5.474 ( -13.630 -0.000 -6.805) 15.235 5.651 ( -7.292 -0.000 2.765) 7.798 5.758 ( -4.815 -0.000 -1.192) 4.960 6.988 ( -5.748 -0.000 5.270) 7.798 7.115 ( 11.068 0.000 -1.641) 11.189 7.133 ( 16.308 0.000 1.812) 16.409 7.320 ( -5.400 -0.000 -3.065) 6.209 7.805 ( -1.173 -0.000 3.013) 3.233 7.943 ( 8.781 0.000 1.640) 8.933 7.956 ( 7.258 0.000 2.778) 7.771 7.998 ( 1.567 0.000 6.639) 6.822 8.381 ( 5.316 0.000 -1.783) 5.607 8.400 ( -3.075 -0.000 -0.758) 3.167 8.530 ( 0.311 0.000 -8.382) 8.388 8.685 ( -8.939 -0.000 -14.165) 16.750 9.204 ( 5.642 0.000 2.968) 6.375 9.329 ( 2.694 0.000 -2.699) 3.814 9.593 ( 6.407 0.000 8.018) 10.264 9.611 ( -8.193 -0.000 8.874) 12.077 11.108 ( -22.234 -0.000 -0.252) 22.236 11.202 ( -36.104 -0.000 -4.062) 36.331 13.294 ( -15.133 -0.000 0.681) 15.149 13.570 ( -13.103 -0.000 -13.477) 18.797 14.610 ( -8.047 -0.000 15.329) 17.313 15.066 ( -6.202 -0.000 -4.917) 7.914======================= Grid point 237 (80/171) =======================q-point: ( 0.21 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( 3.445 -0.851 13.535) 13.993 1.856 ( 2.549 -1.923 1.641) 3.590 2.207 ( -1.648 9.146 -10.659) 14.141 2.324 ( 0.297 -8.033 -11.806) 14.283 2.506 ( 7.665 -0.512 -9.163) 11.957 2.613 ( 12.351 0.510 -5.457) 13.513 2.953 ( 0.987 2.315 5.849) 6.368 3.111 ( -4.630 1.137 4.753) 6.731 3.355 ( 1.027 -1.455 10.126) 10.282 3.718 ( 7.052 -0.608 -1.402) 7.216 4.031 ( 5.255 -0.285 4.115) 6.681 4.253 ( 13.937 1.091 -3.550) 14.423 4.467 ( -2.478 7.061 5.024) 9.013 4.681 ( 8.167 -1.231 -3.283) 8.888 4.842 ( 13.739 1.505 2.674) 14.078 4.993 ( 17.800 -6.241 -2.036) 18.972 5.116 ( 7.307 -0.216 0.270) 7.316 5.293 ( 0.595 1.776 -4.524) 4.896 5.520 ( -6.202 -3.411 3.221) 7.776 5.670 ( -3.871 -1.117 -2.038) 4.515 6.866 ( -4.501 2.363 5.312) 7.352 7.103 ( -7.875 4.979 -4.807) 10.485 7.399 ( 9.792 5.632 4.052) 12.001 7.467 ( 13.162 -1.807 0.890) 13.315 7.750 ( -0.804 1.400 6.140) 6.349 8.012 ( -0.085 -1.664 2.164) 2.731 8.058 ( -2.485 0.488 -1.773) 3.091 8.099 ( 6.587 -0.549 3.200) 7.344 8.394 ( 4.080 1.831 -2.612) 5.179 8.419 ( -6.349 3.273 -8.212) 10.884 8.484 ( -0.888 0.484 -4.310) 4.427 8.542 ( -0.839 -6.219 -6.545) 9.067 9.240 ( -1.049 3.477 6.839) 7.744 9.387 ( 2.346 -0.589 -1.282) 2.737 9.455 ( -6.608 -1.879 10.154) 12.260 9.707 ( 4.419 1.015 1.917) 4.923 10.516 ( -31.329 -1.175 -0.833) 31.362 10.718 ( -16.935 0.446 -5.822) 17.913 13.032 ( -10.915 1.344 1.661) 11.122 13.342 ( -9.587 -0.439 -13.008) 16.165 14.454 ( -7.360 0.261 14.992) 16.704 14.934 ( -6.668 0.444 -5.601) 8.720======================= Grid point 238 (81/171) =======================q-point: ( 0.29 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 2.776 -1.674 10.454) 10.945 1.903 ( 1.203 -3.604 1.101) 3.956 2.098 ( -3.491 8.882 -8.157) 12.554 2.351 ( -1.391 -5.857 -10.130) 11.784 2.643 ( 4.676 -0.028 -3.889) 6.082 2.696 ( -0.380 5.997 3.432) 6.920 3.037 ( 2.863 0.000 2.482) 3.789 3.128 ( 9.166 -4.473 -6.637) 12.168 3.388 ( 1.181 -1.091 10.299) 10.423 3.760 ( -2.278 0.015 -3.695) 4.340 4.081 ( -0.628 3.987 4.491) 6.039 4.167 ( -11.821 5.903 1.395) 13.286 4.545 ( 6.315 -0.750 1.125) 6.458 4.699 ( -1.658 -6.261 -4.256) 7.750 5.040 ( 7.385 4.818 4.465) 9.884 5.241 ( -0.239 -3.457 1.136) 3.647 5.249 ( 10.322 10.706 -3.201) 15.212 5.453 ( 9.546 -5.891 4.415) 12.055 5.512 ( 1.900 -6.947 -5.406) 9.006 5.662 ( 3.427 -4.375 -1.104) 5.667 6.765 ( -4.024 7.208 2.039) 8.503 6.862 ( -10.819 11.481 -1.712) 15.868 7.417 ( -5.771 7.259 4.703) 10.398 7.546 ( -11.820 -8.521 0.808) 14.593 7.787 ( 5.118 -2.046 5.631) 7.879 7.899 ( -7.470 -9.933 2.264) 12.633 8.023 ( 0.171 0.956 -0.927) 1.343 8.251 ( 8.409 1.514 2.674) 8.953 8.288 ( -1.840 4.156 -10.663) 11.591 8.467 ( 3.247 1.856 -6.470) 7.473 8.581 ( 9.365 1.327 0.552) 9.474 8.628 ( 6.105 -2.879 -0.007) 6.749 9.138 ( -4.971 8.260 7.040) 11.937 9.332 ( -5.025 -0.314 -2.276) 5.526 9.479 ( 3.331 -4.335 5.657) 7.867 9.743 ( 0.180 1.721 -1.232) 2.124 10.043 ( -16.978 -3.167 3.349) 17.592 10.419 ( -13.398 0.378 -7.271) 15.249 12.844 ( -6.204 4.636 2.505) 8.140 13.206 ( -4.160 0.213 -14.018) 14.624 14.333 ( -4.794 -1.416 15.212) 16.012 14.814 ( -4.924 -0.399 -5.509) 7.400======================= Grid point 239 (82/171) =======================q-point: ( 0.36 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( 2.603 -2.378 6.540) 7.430 1.950 ( 0.532 4.302 -6.017) 7.416 1.985 ( -2.254 -1.815 3.227) 4.335 2.349 ( -1.194 -2.652 -6.138) 6.792 2.611 ( -2.764 6.778 4.731) 8.716 2.697 ( 1.312 1.861 -2.614) 3.466 3.137 ( 4.325 -8.666 1.222) 9.762 3.339 ( 7.069 -3.596 -9.877) 12.668 3.390 ( -1.780 0.869 6.884) 7.164 3.610 ( -11.058 2.471 -1.787) 11.471 3.916 ( -8.449 3.682 2.940) 9.674 4.049 ( 0.721 3.239 -1.076) 3.488 4.594 ( -1.246 -2.000 3.015) 3.827 4.722 ( -3.549 -8.603 -2.021) 9.523 5.081 ( 0.599 5.637 3.832) 6.842 5.192 ( -2.497 1.791 0.585) 3.128 5.356 ( 6.460 7.729 -0.832) 10.108 5.534 ( 0.703 -3.499 -3.405) 4.933 5.694 ( 6.943 -6.082 1.811) 9.406 5.818 ( 4.917 -8.713 -1.365) 10.097 6.551 ( -9.958 12.760 0.914) 16.212 6.602 ( -8.116 11.500 -0.255) 14.078 7.181 ( -13.648 -6.468 2.649) 15.334 7.275 ( -20.105 -20.471 -0.807) 28.704 7.881 ( 3.377 0.145 3.148) 4.619 7.918 ( 0.130 -4.984 1.208) 5.130 8.061 ( 3.984 0.183 3.256) 5.149 8.258 ( 1.889 1.398 -4.544) 5.116 8.364 ( 2.289 0.055 1.783) 2.902 8.479 ( -1.228 4.146 -3.243) 5.405 8.705 ( 5.367 7.587 4.145) 10.176 8.847 ( 7.304 -4.027 -0.401) 8.350 9.017 ( 3.026 9.642 1.863) 10.276 9.237 ( -1.947 4.442 -8.650) 9.917 9.562 ( 2.529 -0.236 3.680) 4.471 9.715 ( -1.042 1.919 -1.628) 2.724 9.887 ( -3.085 -10.243 5.415) 11.990 10.187 ( -9.592 -2.638 -4.723) 11.012 12.741 ( -0.319 7.009 3.414) 7.802 13.175 ( 1.516 1.482 -16.061) 16.200 14.287 ( -1.373 -3.237 15.650) 16.040 14.757 ( -1.462 -1.775 -5.044) 5.544======================= Grid point 240 (83/171) =======================q-point: (-0.57 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 2.305 -2.990 2.085) 4.312 1.844 ( -2.972 9.689 -6.938) 12.282 2.063 ( 2.375 -10.422 7.564) 13.095 2.335 ( -0.654 1.603 -0.646) 1.848 2.522 ( -2.383 4.526 3.607) 6.259 2.697 ( -0.416 1.012 -4.110) 4.254 3.169 ( -10.592 1.546 -0.304) 10.708 3.297 ( -6.958 2.206 -5.980) 9.436 3.363 ( 0.098 -8.452 2.420) 8.792 3.521 ( 1.509 -4.328 -1.747) 4.906 3.818 ( -0.743 -1.056 3.969) 4.174 4.068 ( 2.441 2.894 -4.033) 5.531 4.524 ( -7.392 -2.549 3.153) 8.431 4.617 ( -11.495 -6.907 -0.878) 13.439 5.008 ( -5.213 2.597 4.358) 7.274 5.135 ( -2.421 2.069 -0.708) 3.263 5.445 ( 5.770 3.890 -0.120) 6.960 5.592 ( 2.584 -2.207 -4.188) 5.392 5.747 ( -3.957 -0.220 2.605) 4.742 5.858 ( -5.203 -2.138 -1.451) 5.809 6.393 ( 0.120 2.259 1.031) 2.486 6.426 ( -2.561 3.480 0.449) 4.344 7.006 ( -9.614 -11.567 0.593) 15.052 7.042 ( -15.953 -21.256 -0.599) 26.583 7.879 ( -4.596 -1.876 1.953) 5.334 7.935 ( 2.764 2.122 -0.529) 3.525 8.136 ( 1.603 0.823 5.961) 6.228 8.307 ( -7.120 -0.312 -0.705) 7.161 8.377 ( 2.473 -0.880 -1.501) 3.024 8.400 ( 3.173 1.895 -2.522) 4.474 8.686 ( -1.907 6.181 5.868) 8.734 8.896 ( 0.392 -1.992 1.161) 2.339 9.027 ( 0.356 13.783 -0.396) 13.793 9.299 ( 6.581 3.041 -7.598) 10.501 9.611 ( 0.733 -0.966 -0.172) 1.224 9.647 ( -3.763 4.167 1.062) 5.714 10.022 ( 12.046 -9.797 2.861) 15.788 10.196 ( 8.911 -10.090 -2.520) 13.696 12.764 ( 6.726 5.457 3.782) 9.451 13.245 ( 6.429 1.728 -18.033) 19.222 14.308 ( 1.287 -3.235 16.537) 16.899 14.772 ( 1.476 -2.426 -4.601) 5.407======================= Grid point 241 (84/171) =======================q-point: (-0.50 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( 0.754 1.313 -2.106) 2.594 1.739 ( -2.506 3.834 -5.783) 7.377 2.182 ( 2.658 -11.846 8.190) 14.645 2.299 ( -0.606 6.297 5.644) 8.477 2.463 ( -2.690 0.758 0.701) 2.882 2.655 ( -4.024 -0.135 -5.219) 6.591 2.877 ( -13.432 3.471 0.249) 13.875 3.126 ( -6.649 5.291 -10.600) 13.586 3.442 ( -1.577 -10.377 3.141) 10.955 3.536 ( -3.621 -4.367 3.321) 6.574 3.854 ( 0.598 -5.620 2.200) 6.065 4.096 ( 0.832 1.055 -4.517) 4.712 4.322 ( -14.694 -2.068 1.210) 14.888 4.383 ( -13.838 -2.954 -0.894) 14.178 4.870 ( -7.653 -2.567 5.271) 9.641 5.074 ( -2.927 -1.353 -2.845) 4.300 5.417 ( -10.549 5.933 0.347) 12.108 5.452 ( -15.256 6.456 0.732) 16.582 5.757 ( 6.354 0.825 -1.355) 6.549 5.778 ( 1.846 1.424 -1.350) 2.694 6.449 ( 4.947 -7.842 1.584) 9.406 6.506 ( 5.901 -9.708 0.200) 11.362 6.883 ( -11.540 -17.671 0.452) 21.110 6.942 ( -5.220 -11.635 -1.347) 12.823 7.799 ( -4.194 -1.488 4.713) 6.482 7.959 ( 0.641 4.564 0.508) 4.637 8.073 ( -4.266 1.189 -0.471) 4.454 8.127 ( -9.334 0.278 -1.735) 9.498 8.391 ( 2.188 1.354 0.273) 2.588 8.532 ( -3.140 3.732 1.632) 5.143 8.606 ( 3.511 -0.587 -2.501) 4.350 8.817 ( -4.982 4.743 -3.796) 7.857 9.059 ( 6.220 2.661 7.657) 10.218 9.355 ( 0.645 -1.692 -4.156) 4.534 9.498 ( -7.432 0.009 2.635) 7.885 9.604 ( -2.090 -0.436 4.087) 4.611 10.517 ( 28.585 -5.064 -1.720) 29.081 10.577 ( 24.203 -6.560 -3.111) 25.268 12.941 ( 12.900 1.483 2.942) 13.314 13.398 ( 9.368 0.570 -18.849) 21.056 14.377 ( 4.115 -2.416 17.636) 18.270 14.837 ( 3.394 -2.910 -4.129) 6.085======================= Grid point 242 (85/171) =======================q-point: (-0.43 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( -4.092 10.753 -1.838) 11.651 1.735 ( -1.308 -6.241 -9.377) 11.340 2.225 ( -2.429 10.848 10.000) 14.953 2.281 ( -1.872 -8.669 8.310) 12.153 2.359 ( -6.979 1.006 1.106) 7.137 2.526 ( -6.141 1.561 -7.359) 9.711 2.704 ( -4.150 -6.304 0.252) 7.551 2.980 ( -6.167 2.541 -11.903) 13.644 3.369 ( -11.742 -6.862 2.359) 13.803 3.391 ( -14.171 -4.384 4.084) 15.386 3.842 ( -6.837 -3.489 3.638) 8.494 3.902 ( -22.221 -2.274 0.816) 22.352 4.031 ( -14.820 1.976 -0.303) 14.954 4.238 ( 2.232 4.198 -6.806) 8.303 4.756 ( -10.521 -6.935 5.330) 13.682 4.949 ( -17.786 4.278 -2.413) 18.451 5.033 ( -17.359 6.425 2.556) 18.686 5.167 ( -1.366 -4.283 -2.634) 5.210 5.858 ( 4.949 1.119 0.359) 5.087 5.895 ( 7.800 2.766 -0.928) 8.328 6.682 ( 9.661 -11.735 -0.109) 15.201 6.719 ( 3.306 -15.262 -1.167) 15.659 6.791 ( -1.494 -11.403 2.862) 11.851 6.908 ( -4.464 -9.992 -1.664) 11.069 7.732 ( -3.765 -2.171 5.740) 7.200 7.900 ( -4.403 3.189 -0.685) 5.479 7.910 ( -9.918 -0.239 -0.148) 9.922 8.054 ( -0.714 2.492 -5.541) 6.117 8.261 ( -8.800 4.481 6.868) 12.028 8.506 ( 2.214 0.605 -0.284) 2.313 8.681 ( -3.218 1.071 -4.538) 5.665 8.741 ( 3.586 0.162 -7.406) 8.230 9.107 ( -4.229 -2.463 4.374) 6.564 9.288 ( -8.432 -1.100 0.156) 8.505 9.464 ( 5.255 -1.652 6.079) 8.204 9.588 ( 0.385 -0.961 4.383) 4.504 11.071 ( 28.284 -1.189 0.511) 28.313 11.244 ( 35.845 -1.520 -5.667) 36.322 13.232 ( 15.794 -1.301 1.060) 15.883 13.598 ( 10.464 -1.212 -18.082) 20.927 14.509 ( 8.104 -1.975 18.014) 19.852 14.942 ( 5.197 -3.823 -3.199) 7.201======================= Grid point 243 (86/171) =======================q-point: (-0.36 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( -7.625 12.123 -0.628) 14.335 1.726 ( -3.858 -7.900 -14.436) 16.903 2.011 ( -9.810 16.247 11.125) 21.999 2.099 ( -10.279 10.368 2.902) 14.885 2.315 ( -2.358 -7.183 5.135) 9.139 2.498 ( -3.275 -4.272 -7.168) 8.964 2.649 ( -7.290 -6.755 0.067) 9.939 2.836 ( -12.188 -6.522 -2.653) 14.076 3.042 ( -23.689 -7.251 4.123) 25.115 3.109 ( -12.511 -5.614 -1.545) 13.800 3.363 ( -30.416 -0.397 0.572) 30.424 3.560 ( -18.947 4.282 -5.084) 20.079 3.784 ( -12.488 7.026 7.390) 16.122 4.148 ( -17.266 10.383 -8.578) 21.897 4.432 ( -13.025 6.575 2.237) 14.761 4.477 ( -13.108 1.808 -0.603) 13.246 5.000 ( 4.489 -12.494 6.382) 14.731 5.311 ( 6.440 -14.284 -5.442) 16.587 5.935 ( 3.833 2.858 1.828) 5.118 6.016 ( 6.489 4.010 -0.949) 7.687 6.622 ( -9.215 -6.612 1.228) 11.407 6.776 ( -6.196 -6.851 -5.007) 10.507 7.044 ( 11.297 -10.154 2.062) 15.329 7.083 ( 10.395 -12.786 1.224) 16.524 7.615 ( -12.345 -1.427 0.329) 12.431 7.699 ( -12.615 1.003 -2.100) 12.828 7.755 ( -3.793 -1.064 4.626) 6.076 8.026 ( -0.245 0.709 -1.957) 2.096 8.168 ( -1.734 -2.370 4.834) 5.656 8.482 ( -5.515 0.093 -6.667) 8.653 8.572 ( -3.290 4.095 3.051) 6.075 8.827 ( -2.372 0.937 -7.399) 7.826 8.962 ( -3.202 -4.683 2.615) 6.247 9.178 ( -4.605 -2.584 1.754) 5.564 9.520 ( -0.428 0.836 3.440) 3.566 9.686 ( 7.791 -1.061 3.085) 8.447 11.650 ( 29.822 3.016 3.356) 30.161 11.934 ( 32.601 1.225 -6.502) 33.266 13.557 ( 15.549 -2.536 -1.065) 15.790 13.820 ( 10.556 -2.199 -16.976) 20.111 14.717 ( 11.573 -1.394 17.558) 21.075 15.085 ( 6.700 -4.020 -1.377) 7.934======================= Grid point 244 (87/171) =======================q-point: (-0.29 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -8.924 14.999 0.382) 17.458 1.658 ( -11.563 8.232 0.596) 14.207 1.697 ( -9.176 0.258 -8.972) 12.836 1.852 ( -7.379 12.129 6.868) 15.771 2.153 ( -28.568 -0.898 -3.195) 28.760 2.243 ( -12.728 -4.479 -1.240) 13.550 2.460 ( -22.013 3.341 7.903) 23.626 2.586 ( -19.721 -3.838 5.633) 20.865 2.677 ( -5.526 -6.590 -6.146) 10.570 2.788 ( -17.667 -5.986 8.798) 20.624 3.127 ( -0.924 -15.023 -7.473) 16.805 3.146 ( -19.170 2.829 -3.230) 19.645 3.289 ( -28.624 8.483 3.983) 30.119 3.643 ( -18.948 15.286 -15.200) 28.701 4.190 ( -3.291 4.511 9.232) 10.789 4.494 ( 4.344 2.238 -4.188) 6.435 5.199 ( 5.811 -16.061 6.826) 18.393 5.534 ( 6.339 -15.191 -6.021) 17.527 5.969 ( 1.247 3.607 2.528) 4.578 6.107 ( 4.948 3.598 -2.239) 6.515 6.455 ( -10.894 -3.238 1.635) 11.482 6.662 ( -10.508 -4.798 -6.575) 13.292 7.132 ( -7.170 1.922 3.653) 8.273 7.234 ( -5.590 -4.189 1.118) 7.075 7.344 ( -13.617 -2.700 1.588) 13.972 7.521 ( -0.219 -10.269 -2.878) 10.667 7.790 ( 2.532 0.197 5.918) 6.440 7.955 ( -2.762 1.103 1.064) 3.159 8.230 ( 2.221 -9.961 -0.382) 10.213 8.360 ( -3.611 -3.852 -6.468) 8.349 8.538 ( 1.470 5.914 2.734) 6.679 8.675 ( -7.691 -1.823 -4.477) 9.084 8.938 ( -5.680 0.902 2.337) 6.207 9.206 ( 5.218 -3.582 0.069) 6.330 9.485 ( -1.961 2.539 1.680) 3.622 9.825 ( 5.235 0.471 -1.470) 5.458 12.169 ( 24.124 5.949 5.073) 25.360 12.481 ( 23.428 3.687 -6.021) 24.468 13.865 ( 12.900 -3.780 -3.098) 13.795 14.023 ( 8.725 -1.109 -16.366) 18.580 14.966 ( 12.528 -0.586 16.913) 21.055 15.248 ( 7.426 -3.163 1.537) 8.217======================= Grid point 245 (88/171) =======================q-point: (-0.21 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( -3.870 18.346 4.200) 19.215 1.153 ( -29.691 11.197 5.706) 32.241 1.407 ( -32.603 3.329 -4.747) 33.114 1.586 ( -3.974 5.959 -9.851) 12.180 1.772 ( -4.720 11.648 15.660) 20.080 2.001 ( -4.763 0.130 -0.645) 4.808 2.034 ( -17.334 4.309 6.970) 19.173 2.125 ( -19.422 -0.511 -0.120) 19.429 2.591 ( -12.950 -0.145 0.598) 12.964 2.660 ( -16.023 3.153 -2.022) 16.455 2.732 ( -11.122 -4.366 -1.951) 12.106 2.863 ( -2.856 -16.076 11.896) 20.201 3.260 ( -0.055 -6.198 -14.520) 15.787 3.331 ( -2.864 6.471 -17.073) 18.482 4.148 ( 0.516 5.158 12.909) 13.911 4.556 ( 3.132 2.852 -5.864) 7.234 5.398 ( 4.698 -15.057 6.994) 17.254 5.711 ( 2.967 -9.067 -5.090) 10.813 5.906 ( -7.769 2.711 2.064) 8.483 6.084 ( -12.879 -5.987 -3.541) 14.638 6.272 ( -4.939 6.621 -1.089) 8.331 6.370 ( -12.215 3.172 -2.269) 12.823 6.927 ( -8.366 3.745 0.644) 9.188 7.028 ( -9.248 -0.631 -1.787) 9.441 7.203 ( -2.600 2.224 10.190) 10.749 7.634 ( 2.181 1.280 -8.581) 8.946 7.851 ( 6.681 -9.879 2.869) 12.266 7.972 ( 0.123 -5.495 -1.548) 5.710 8.269 ( -5.369 -12.634 1.007) 13.765 8.364 ( -5.021 -12.245 -6.774) 14.868 8.551 ( 3.275 6.391 0.286) 7.187 8.623 ( 4.650 4.392 -2.984) 7.058 8.832 ( -3.668 -1.101 7.019) 7.995 9.296 ( 1.926 0.902 3.547) 4.136 9.409 ( -3.503 4.508 -7.665) 9.558 9.875 ( 0.951 2.939 -5.140) 5.997 12.500 ( 12.901 7.412 6.164) 16.105 12.803 ( 11.737 5.200 -5.065) 13.801 14.053 ( 3.485 -2.225 -4.911) 6.420 14.196 ( 8.071 -0.705 -14.128) 16.286 15.197 ( 9.172 -2.244 15.164) 17.864 15.413 ( 7.403 -2.630 5.488) 9.583======================= Grid point 246 (89/171) =======================q-point: (-0.14 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( -0.000 16.557 7.281) 18.087 0.771 ( -0.000 17.758 10.855) 20.812 0.956 ( -0.000 5.592 -5.525) 7.860 1.503 ( -0.000 13.260 0.161) 13.261 1.599 ( -0.000 31.963 24.472) 40.256 1.816 ( 0.000 -2.276 2.026) 3.047 1.922 ( 0.000 -3.244 -1.976) 3.798 2.079 ( 0.000 -19.619 -2.169) 19.738 2.358 ( -0.000 1.391 1.513) 2.055 2.427 ( -0.000 3.447 -1.109) 3.621 2.743 ( 0.000 -6.656 -8.167) 10.536 2.973 ( 0.000 -20.203 14.923) 25.117 3.163 ( -0.000 16.128 -27.816) 32.153 3.417 ( 0.000 -15.119 -6.151) 16.322 4.124 ( -0.000 5.628 14.621) 15.667 4.573 ( -0.000 2.848 -6.963) 7.523 5.574 ( 0.000 -15.517 9.200) 18.039 5.634 ( -0.000 8.764 1.248) 8.852 5.709 ( -0.000 8.045 -1.525) 8.188 5.950 ( 0.000 -10.194 -6.154) 11.908 6.118 ( -0.000 11.192 2.705) 11.514 6.310 ( -0.000 8.602 -6.575) 10.827 6.822 ( 0.000 -0.553 2.411) 2.474 6.948 ( 0.000 -2.368 -2.210) 3.239 7.160 ( -0.000 6.067 7.155) 9.381 7.581 ( -0.000 15.412 -14.083) 20.877 8.029 ( 0.000 -12.817 1.566) 12.913 8.125 ( 0.000 -11.711 -2.078) 11.894 8.176 ( 0.000 -14.757 0.992) 14.791 8.359 ( 0.000 -11.207 -7.482) 13.474 8.572 ( -0.000 6.748 2.013) 7.042 8.663 ( -0.000 6.828 -1.427) 6.976 8.812 ( 0.000 -3.830 7.029) 8.005 9.289 ( -0.000 2.800 13.260) 13.552 9.323 ( -0.000 7.631 -19.867) 21.282 9.851 ( -0.000 5.176 -7.012) 8.716 12.584 ( -0.000 7.293 6.652) 9.870 12.886 ( -0.000 5.226 -4.604) 6.964 14.080 ( -0.000 0.011 -3.303) 3.303 14.290 ( 0.000 -0.793 -11.854) 11.881 15.319 ( 0.000 -5.663 11.861) 13.144 15.533 ( 0.000 -4.454 7.284) 8.538======================= Grid point 251 (90/171) =======================q-point: ( 0.21 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( 2.867 0.000 12.441) 12.767 1.878 ( 0.795 0.000 1.608) 1.794 2.176 ( -4.223 -0.000 -9.805) 10.676 2.292 ( -0.118 -0.000 -12.104) 12.104 2.644 ( 5.554 0.000 -3.768) 6.711 2.734 ( -0.371 -0.000 4.240) 4.256 3.044 ( -1.845 -0.000 3.724) 4.156 3.091 ( 11.315 0.000 -7.309) 13.470 3.383 ( 1.913 0.000 10.153) 10.332 3.758 ( -1.564 -0.000 -4.042) 4.334 4.109 ( 0.157 0.000 6.092) 6.094 4.203 ( -13.874 -0.000 2.046) 14.025 4.545 ( 8.266 0.000 -0.477) 8.280 4.653 ( -5.027 -0.000 -4.858) 6.991 5.079 ( 9.699 0.000 6.609) 11.737 5.207 ( 1.409 0.000 0.395) 1.463 5.368 ( 16.906 0.000 -2.385) 17.073 5.396 ( 4.880 0.000 -6.046) 7.769 5.440 ( 0.086 0.000 3.594) 3.595 5.637 ( 1.300 0.000 -1.461) 1.956 6.809 ( -2.778 -0.000 2.531) 3.758 6.941 ( -9.489 -0.000 -3.151) 9.999 7.469 ( -15.797 -0.000 2.913) 16.064 7.486 ( -10.535 -0.000 2.977) 10.948 7.763 ( 3.717 0.000 4.966) 6.203 7.836 ( -4.853 -0.000 5.296) 7.183 8.032 ( 0.219 0.000 -2.030) 2.042 8.257 ( 7.400 0.000 2.164) 7.709 8.317 ( -1.551 -0.000 -11.192) 11.299 8.479 ( 4.189 0.000 -6.322) 7.584 8.599 ( 6.817 0.000 0.402) 6.829 8.602 ( 10.096 0.000 -0.687) 10.120 9.207 ( -3.667 -0.000 4.713) 5.972 9.314 ( -5.457 -0.000 1.938) 5.791 9.450 ( 3.724 0.000 5.529) 6.666 9.754 ( 0.163 0.000 -0.562) 0.585 10.023 ( -17.743 -0.000 2.740) 17.953 10.421 ( -13.829 -0.000 -8.049) 16.001 12.874 ( -5.549 -0.000 2.008) 5.901 13.207 ( -3.796 -0.000 -13.590) 14.110 14.324 ( -5.403 -0.000 15.380) 16.301 14.812 ( -5.343 -0.000 -5.621) 7.755======================= Grid point 252 (91/171) =======================q-point: ( 0.29 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 2.828 -0.559 10.061) 10.465 1.903 ( 0.943 -3.017 4.372) 5.394 2.072 ( -3.803 6.211 -8.911) 11.509 2.302 ( -0.421 -3.761 -10.306) 10.979 2.681 ( -2.241 4.161 5.543) 7.284 2.713 ( 1.073 0.359 -0.456) 1.220 3.055 ( 1.788 -4.101 2.613) 5.181 3.302 ( 8.054 -1.863 -11.098) 13.839 3.403 ( -0.472 0.767 6.740) 6.800 3.629 ( -11.691 0.803 -2.075) 11.900 3.948 ( -9.984 1.388 3.677) 10.730 4.080 ( -0.023 1.535 0.225) 1.552 4.584 ( -2.165 0.395 0.149) 2.206 4.640 ( -1.646 -4.614 -1.426) 5.102 5.144 ( -0.907 4.089 4.809) 6.377 5.196 ( -1.829 -0.802 1.468) 2.479 5.445 ( 3.527 5.607 -3.899) 7.686 5.486 ( 2.112 -3.253 0.489) 3.909 5.654 ( 9.406 -0.660 -1.216) 9.507 5.719 ( 5.045 -6.457 -0.374) 8.203 6.700 ( -8.307 9.123 -0.054) 12.338 6.725 ( -9.025 8.493 -0.168) 12.394 7.053 ( -22.818 -13.958 1.675) 26.802 7.109 ( -19.878 -4.587 -0.734) 20.414 7.865 ( 2.739 -2.142 3.892) 5.219 7.889 ( 4.943 0.008 4.087) 6.414 8.069 ( 3.843 0.640 2.293) 4.520 8.261 ( -0.569 -0.193 -4.455) 4.496 8.367 ( 1.068 0.191 2.270) 2.515 8.514 ( -1.367 1.462 -3.909) 4.392 8.769 ( 5.806 3.480 1.670) 6.972 8.806 ( 7.550 -2.873 0.226) 8.081 9.145 ( 4.780 9.398 -0.865) 10.579 9.261 ( 0.298 -0.855 -6.334) 6.398 9.549 ( 5.496 -1.373 6.081) 8.311 9.737 ( -0.413 1.296 -0.113) 1.365 9.787 ( -8.028 -5.068 5.152) 10.802 10.160 ( -12.454 -1.421 -6.787) 14.255 12.807 ( -0.248 3.288 2.306) 4.024 13.188 ( 1.761 0.550 -15.648) 15.756 14.257 ( -1.667 -1.521 16.322) 16.477 14.740 ( -1.868 -0.813 -5.172) 5.559======================= Grid point 253 (92/171) =======================q-point: (-0.64 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( 2.569 -0.918 6.297) 6.863 1.932 ( -2.380 -1.101 2.156) 3.395 1.984 ( 0.783 2.866 -3.159) 4.337 2.316 ( -0.274 -3.460 -7.230) 8.020 2.598 ( -2.655 6.604 6.100) 9.374 2.707 ( -1.254 0.639 -1.131) 1.806 3.130 ( -0.353 -6.809 1.601) 7.004 3.310 ( -8.827 2.309 1.479) 9.243 3.339 ( -7.177 1.602 -4.967) 8.874 3.460 ( 0.851 -5.415 -5.886) 8.043 3.818 ( -2.696 0.436 6.500) 7.051 4.099 ( 2.117 1.980 -3.588) 4.613 4.500 ( -7.174 -1.292 1.038) 7.363 4.547 ( -10.000 -4.472 -0.717) 10.978 5.036 ( -7.636 1.918 5.297) 9.489 5.152 ( -2.938 0.832 -0.223) 3.062 5.485 ( 3.195 2.598 -1.670) 4.444 5.557 ( 2.896 -2.974 -2.282) 4.737 5.742 ( 0.048 0.006 1.663) 1.664 5.818 ( -0.808 -3.868 -1.334) 4.170 6.460 ( -5.341 8.510 1.142) 10.111 6.500 ( -7.998 7.720 -0.060) 11.116 6.804 ( -13.672 -17.861 0.808) 22.507 6.872 ( -9.525 -10.543 -1.833) 14.326 7.855 ( -3.801 -1.515 3.499) 5.384 7.967 ( 4.081 2.434 -1.015) 4.859 8.151 ( 3.035 1.483 5.404) 6.373 8.297 ( -6.002 -1.145 -0.076) 6.111 8.348 ( 5.293 -2.422 0.297) 5.828 8.428 ( -3.890 1.631 -2.378) 4.842 8.737 ( -4.078 2.379 4.194) 6.315 8.876 ( 0.088 -1.341 0.516) 1.439 9.199 ( 1.883 13.681 -2.529) 14.040 9.338 ( 4.213 2.681 -6.703) 8.359 9.605 ( -1.429 0.731 1.809) 2.418 9.700 ( -3.632 2.563 4.441) 6.284 9.900 ( 16.553 -8.341 0.902) 18.558 10.073 ( 6.502 -9.997 -3.855) 12.533 12.830 ( 5.274 4.795 2.563) 7.575 13.261 ( 5.859 0.832 -18.071) 19.016 14.273 ( 1.845 -2.374 17.415) 17.673 14.746 ( 1.406 -1.739 -4.545) 5.066======================= Grid point 254 (93/171) =======================q-point: (-0.57 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( 1.803 -1.569 1.467) 2.804 1.835 ( -3.343 7.950 -5.730) 10.354 2.052 ( 2.215 -8.390 7.211) 11.283 2.330 ( -0.038 -1.719 -2.970) 3.432 2.502 ( -3.267 5.752 5.254) 8.448 2.651 ( -4.508 -0.324 -2.201) 5.027 2.934 ( -13.266 5.864 0.931) 14.534 3.192 ( -5.857 5.566 -9.391) 12.389 3.292 ( -1.330 -13.259 2.930) 13.644 3.479 ( -3.982 -5.585 -2.012) 7.148 3.811 ( 0.648 -2.067 6.148) 6.518 4.109 ( -1.735 1.060 -4.555) 4.988 4.297 ( -14.019 -1.988 0.595) 14.172 4.353 ( -9.497 -1.984 -1.856) 9.878 4.844 ( -10.830 -1.672 6.684) 12.835 5.062 ( -5.734 -0.712 -2.417) 6.263 5.468 ( -7.358 2.814 -0.140) 7.879 5.514 ( -11.416 3.725 -0.469) 12.018 5.753 ( 4.064 -0.960 -0.369) 4.192 5.791 ( 1.487 0.670 -1.859) 2.473 6.388 ( 0.678 -2.525 1.028) 2.809 6.423 ( 1.654 -4.209 0.419) 4.542 6.693 ( -7.517 -13.567 1.615) 15.594 6.812 ( -3.976 -9.728 -2.694) 10.849 7.782 ( -3.907 -1.011 5.989) 7.222 8.029 ( 3.696 6.186 -1.611) 7.383 8.091 ( -7.036 1.806 0.341) 7.272 8.128 ( -7.745 -0.002 -1.927) 7.981 8.405 ( 1.845 0.878 0.690) 2.157 8.515 ( 4.437 -4.515 -3.228) 7.105 8.633 ( -3.881 3.187 4.866) 6.992 8.836 ( -4.748 -0.606 -1.336) 4.969 9.128 ( -0.385 7.428 2.272) 7.778 9.340 ( -1.263 -0.798 -4.136) 4.397 9.505 ( -6.417 1.246 3.655) 7.490 9.605 ( -3.097 0.343 4.871) 5.782 10.454 ( 30.300 -5.052 -2.071) 30.788 10.490 ( 27.929 -7.489 -3.127) 29.084 12.968 ( 10.946 2.639 2.085) 11.451 13.400 ( 8.032 -0.284 -19.371) 20.972 14.351 ( 4.881 -1.716 18.240) 18.960 14.805 ( 3.211 -2.246 -3.761) 5.431======================= Grid point 255 (94/171) =======================q-point: (-0.50 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( -0.349 -2.614 -4.398) 5.128 1.711 ( -3.831 10.283 -5.379) 12.221 2.146 ( 0.734 -11.106 9.459) 14.607 2.321 ( -0.740 3.786 3.973) 5.538 2.397 ( -5.241 3.531 1.358) 6.463 2.537 ( -6.550 -0.458 -3.959) 7.667 2.670 ( -9.225 2.829 1.734) 9.804 3.025 ( -8.804 4.369 -10.731) 14.552 3.260 ( -10.597 -10.586 1.732) 15.079 3.331 ( -15.039 -5.593 1.035) 16.079 3.811 ( -5.261 -1.876 3.945) 6.838 3.900 ( -16.982 1.456 0.708) 17.059 4.043 ( -11.374 -0.038 0.300) 11.378 4.282 ( 2.436 3.013 -6.851) 7.871 4.668 ( -9.436 -6.933 7.296) 13.796 4.948 ( -10.303 -3.581 -4.108) 11.656 5.120 ( -21.242 7.408 1.073) 22.523 5.159 ( -15.271 2.324 -0.638) 15.460 5.864 ( 6.270 -0.160 0.100) 6.273 5.911 ( 8.100 0.076 -1.662) 8.269 6.547 ( 9.214 -10.438 -0.744) 13.943 6.555 ( 3.015 -11.657 -0.611) 12.056 6.670 ( 1.711 -8.419 3.483) 9.270 6.792 ( -3.511 -8.973 -1.558) 9.761 7.717 ( -2.863 -0.310 7.142) 7.701 7.879 ( -13.010 -2.242 0.649) 13.218 7.962 ( -4.094 4.253 -3.740) 6.988 8.110 ( 1.333 6.730 -6.134) 9.203 8.314 ( -9.593 4.038 3.881) 11.108 8.502 ( -0.841 -1.797 -1.579) 2.535 8.676 ( 1.235 -0.795 -3.577) 3.867 8.745 ( -0.825 -0.133 -0.410) 0.931 9.076 ( -5.243 -2.747 5.300) 7.945 9.274 ( -8.692 -1.237 -0.723) 8.809 9.466 ( 6.270 1.955 5.219) 8.389 9.578 ( 0.170 -0.837 3.486) 3.589 11.061 ( 31.550 -0.351 0.088) 31.552 11.211 ( 37.104 -3.862 -5.127) 37.655 13.222 ( 14.791 -0.418 0.454) 14.804 13.576 ( 8.930 -2.375 -18.507) 20.686 14.492 ( 8.745 -0.875 17.964) 19.998 14.900 ( 4.851 -3.090 -2.512) 6.276======================= Grid point 256 (95/171) =======================q-point: (-0.43 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.545 ( -6.361 11.605 -5.214) 14.224 1.661 ( -3.033 -2.159 -9.921) 10.597 2.166 ( -5.794 2.572 10.492) 12.258 2.224 ( -7.373 9.147 2.369) 11.985 2.235 ( -4.011 1.438 7.998) 9.062 2.440 ( -3.283 -3.669 -5.726) 7.552 2.566 ( -7.072 -8.149 -0.199) 10.792 2.772 ( -15.315 -3.620 -6.794) 17.141 2.959 ( -24.720 -6.588 2.334) 25.690 3.009 ( -18.386 -9.409 -0.967) 20.676 3.421 ( -24.114 8.440 1.602) 25.599 3.612 ( -15.619 4.142 -4.489) 16.771 3.863 ( -9.779 5.917 7.941) 13.918 4.257 ( -12.141 7.411 -7.262) 15.970 4.471 ( -5.207 0.009 1.260) 5.357 4.520 ( -23.405 5.381 -0.559) 24.022 4.863 ( -1.648 -10.033 5.062) 11.358 5.132 ( 2.586 -15.290 -4.938) 16.274 5.972 ( 5.037 3.374 1.129) 6.167 6.054 ( 6.566 2.280 -1.320) 7.075 6.550 ( -5.040 -4.972 1.763) 7.296 6.687 ( -3.442 -7.628 -3.782) 9.184 6.901 ( 11.240 -12.848 1.940) 17.181 6.936 ( 10.994 -12.005 1.309) 16.331 7.596 ( -14.363 -2.041 1.109) 14.549 7.701 ( -3.616 -0.041 3.836) 5.272 7.773 ( -11.663 3.299 -2.720) 12.422 8.045 ( -0.279 2.664 -4.644) 5.361 8.154 ( -6.922 -0.190 4.048) 8.021 8.460 ( -7.075 -3.797 -10.819) 13.473 8.621 ( -0.655 4.007 5.914) 7.173 8.848 ( 0.649 2.641 -2.531) 3.715 8.906 ( -5.293 -4.261 5.382) 8.668 9.148 ( -4.764 -2.688 2.043) 5.840 9.531 ( 0.273 0.922 2.615) 2.786 9.681 ( 8.783 0.132 1.777) 8.962 11.690 ( 32.032 3.595 2.610) 32.338 11.938 ( 33.833 -0.636 -5.777) 34.328 13.530 ( 15.001 -1.927 -1.721) 15.222 13.783 ( 10.052 -3.798 -17.143) 20.233 14.706 ( 12.236 -0.404 16.957) 20.915 15.037 ( 6.780 -3.889 -0.497) 7.832======================= Grid point 257 (96/171) =======================q-point: (-0.36 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.330 ( -6.552 15.212 -4.913) 17.276 1.602 ( -4.162 -3.901 -14.224) 15.326 1.849 ( -18.875 12.837 6.518) 23.739 2.013 ( -7.715 13.646 3.715) 16.110 2.146 ( -26.815 -0.067 -1.584) 26.862 2.181 ( -9.850 -5.844 2.758) 11.781 2.452 ( -11.902 -13.367 10.267) 20.634 2.470 ( -18.836 -1.641 0.993) 18.933 2.593 ( -8.393 -7.355 -4.514) 12.039 2.827 ( -14.850 -6.288 -0.213) 16.128 2.938 ( -7.742 0.564 -0.072) 7.762 3.211 ( -22.895 4.824 -3.855) 23.713 3.404 ( -28.142 10.963 5.570) 30.712 3.827 ( -16.336 15.077 -12.754) 25.629 4.232 ( -3.755 2.622 7.212) 8.543 4.519 ( 4.854 1.889 -5.074) 7.272 4.998 ( 4.212 -17.458 6.741) 19.182 5.324 ( 5.099 -19.721 -5.761) 21.169 6.016 ( 1.743 4.223 1.650) 4.858 6.143 ( 3.760 2.545 -2.492) 5.179 6.434 ( -8.383 -0.196 3.518) 9.094 6.603 ( -9.414 -4.621 -2.994) 10.906 7.124 ( 1.995 -3.807 2.016) 4.747 7.169 ( 3.345 -6.851 0.980) 7.687 7.314 ( -14.790 -3.194 -0.277) 15.133 7.414 ( -10.190 -6.008 -2.795) 12.154 7.797 ( 3.817 0.795 6.459) 7.545 7.973 ( -5.004 1.397 0.493) 5.219 8.113 ( -0.497 -8.690 -0.226) 8.707 8.303 ( -8.586 -5.099 -10.521) 14.505 8.611 ( 2.246 6.052 3.285) 7.244 8.663 ( -6.724 0.168 1.244) 6.840 8.953 ( -4.083 1.467 1.518) 4.596 9.167 ( 6.834 -3.153 1.034) 7.597 9.514 ( -1.040 2.227 2.669) 3.629 9.834 ( 6.283 0.970 -1.950) 6.649 12.241 ( 25.476 6.091 4.499) 26.577 12.517 ( 24.444 2.265 -5.059) 25.065 13.823 ( 12.626 -3.032 -3.769) 13.521 14.000 ( 9.381 -2.716 -17.395) 19.949 14.962 ( 12.798 -0.083 16.124) 20.586 15.205 ( 7.615 -3.805 2.438) 8.855======================= Grid point 258 (97/171) =======================q-point: (-0.29 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -2.305 18.835 -2.711) 19.168 1.282 ( -28.935 10.272 3.324) 30.883 1.448 ( -31.139 3.406 -3.035) 31.471 1.577 ( -2.153 -5.058 -16.166) 17.075 1.894 ( -2.115 12.496 7.573) 14.764 1.939 ( -13.737 -5.239 0.132) 14.703 2.088 ( -15.808 0.133 2.069) 15.943 2.283 ( -7.184 12.829 11.336) 18.566 2.576 ( -3.869 -0.072 10.460) 11.152 2.604 ( -3.309 -9.136 -0.370) 9.723 2.699 ( -21.025 0.791 -1.006) 21.064 2.814 ( -21.114 7.313 3.256) 22.580 3.039 ( 1.351 -21.356 -6.989) 22.511 3.529 ( -4.592 17.857 -21.201) 28.097 4.199 ( 0.604 3.472 10.592) 11.163 4.590 ( 3.368 2.621 -6.575) 7.839 5.192 ( 3.885 -19.064 7.884) 20.993 5.541 ( 4.796 -19.058 -5.670) 20.454 5.965 ( -5.358 6.415 0.545) 8.376 6.061 ( -13.342 2.611 -1.574) 13.686 6.327 ( 0.103 2.256 0.781) 2.389 6.388 ( -8.678 -0.564 -0.066) 8.696 6.957 ( -11.729 1.293 0.273) 11.803 7.016 ( -11.224 -1.571 -1.649) 11.453 7.259 ( 5.478 6.123 8.066) 11.514 7.574 ( 10.935 -10.394 -4.613) 15.776 7.776 ( -1.397 -2.770 2.961) 4.289 7.930 ( -3.839 -1.169 0.167) 4.017 8.105 ( -7.783 -14.325 1.050) 16.336 8.221 ( -5.539 -10.692 -9.867) 15.568 8.610 ( 2.543 3.190 2.428) 4.747 8.677 ( 6.693 4.874 -2.440) 8.632 8.837 ( -4.650 1.797 7.112) 8.685 9.306 ( 4.469 0.300 0.656) 4.527 9.460 ( -2.380 3.978 -2.702) 5.366 9.907 ( 2.209 2.411 -4.613) 5.654 12.591 ( 13.471 7.597 6.062) 16.611 12.862 ( 12.259 4.381 -3.992) 13.617 14.024 ( 5.164 -2.345 -5.002) 7.562 14.182 ( 7.458 -1.672 -17.995) 19.551 15.181 ( 8.289 -0.578 14.779) 16.954 15.373 ( 6.638 -3.878 6.198) 9.875======================= Grid point 259 (98/171) =======================q-point: (-0.21 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.815 ( -0.000 15.632 4.374) 16.232 1.007 ( -0.000 20.684 0.966) 20.706 1.027 ( -0.000 6.101 -3.495) 7.031 1.600 ( -0.000 0.897 -17.194) 17.218 1.779 ( 0.000 -3.959 1.684) 4.302 1.886 ( -0.000 6.761 15.276) 16.705 1.886 ( 0.000 -2.452 -2.403) 3.433 2.086 ( -0.000 29.653 16.224) 33.801 2.376 ( -0.000 1.665 2.152) 2.721 2.470 ( -0.000 3.613 -1.434) 3.887 2.639 ( 0.000 -10.400 0.944) 10.443 2.741 ( 0.000 -16.435 7.335) 17.997 3.181 ( 0.000 -19.852 -8.401) 21.556 3.388 ( -0.000 16.951 -24.140) 29.497 4.185 ( -0.000 4.430 12.091) 12.877 4.610 ( -0.000 3.011 -7.202) 7.806 5.360 ( 0.000 -19.851 9.197) 21.878 5.746 ( 0.000 -20.956 -6.129) 21.834 5.758 ( -0.000 11.750 1.088) 11.800 5.822 ( -0.000 10.740 -1.296) 10.818 6.251 ( -0.000 6.507 2.398) 6.935 6.386 ( -0.000 4.415 -3.295) 5.509 6.815 ( 0.000 -0.648 1.906) 2.013 6.915 ( 0.000 -3.001 -1.783) 3.491 7.266 ( -0.000 12.498 9.991) 16.001 7.719 ( -0.000 8.045 -8.786) 11.912 7.872 ( 0.000 -13.301 1.824) 13.425 7.975 ( 0.000 -17.804 1.715) 17.886 7.980 ( 0.000 -12.498 -2.198) 12.690 8.221 ( 0.000 -10.990 -9.938) 14.817 8.643 ( -0.000 5.125 1.985) 5.497 8.738 ( -0.000 5.548 -1.530) 5.755 8.777 ( 0.000 -1.920 8.961) 9.164 9.330 ( -0.000 3.600 8.237) 8.990 9.399 ( -0.000 5.292 -14.253) 15.203 9.905 ( -0.000 3.914 -6.161) 7.299 12.677 ( -0.000 8.072 6.849) 10.586 12.952 ( -0.000 5.474 -3.777) 6.651 14.074 ( 0.000 -0.829 -4.867) 4.937 14.275 ( 0.000 -1.712 -16.755) 16.842 15.274 ( 0.000 -2.105 13.500) 13.663 15.478 ( 0.000 -4.731 8.080) 9.363======================= Grid point 266 (99/171) =======================q-point: (-0.71 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( 2.743 0.000 8.351) 8.790 1.902 ( -0.337 -0.000 6.014) 6.024 2.030 ( -1.864 -0.000 -7.518) 7.745 2.287 ( -0.112 -0.000 -9.428) 9.428 2.645 ( -2.662 -0.000 5.537) 6.144 2.711 ( -1.604 -0.000 0.165) 1.613 3.078 ( 1.863 0.000 3.476) 3.944 3.333 ( -14.404 -0.000 -0.421) 14.411 3.356 ( -4.217 -0.000 -0.747) 4.283 3.415 ( 1.355 0.000 -10.036) 10.127 3.821 ( -3.273 -0.000 7.199) 7.908 4.111 ( 1.952 0.000 -3.357) 3.883 4.494 ( -6.956 -0.000 -0.050) 6.956 4.517 ( -9.569 -0.000 -0.472) 9.581 5.049 ( -8.862 -0.000 5.616) 10.491 5.157 ( -2.926 -0.000 -0.113) 2.928 5.502 ( 1.661 0.000 -2.426) 2.940 5.536 ( 3.321 0.000 -1.353) 3.586 5.747 ( 0.338 0.000 1.464) 1.502 5.787 ( 2.081 0.000 -1.430) 2.525 6.560 ( -9.790 -0.000 0.111) 9.790 6.563 ( -10.258 -0.000 0.066) 10.259 6.649 ( -10.642 -0.000 2.530) 10.939 6.793 ( -8.526 -0.000 -3.092) 9.069 7.846 ( -3.397 -0.000 4.164) 5.374 7.983 ( 4.800 0.000 -1.516) 5.034 8.162 ( 3.746 0.000 4.981) 6.232 8.288 ( -4.838 -0.000 0.074) 4.838 8.332 ( 3.612 0.000 1.392) 3.871 8.437 ( -4.897 -0.000 -2.417) 5.461 8.750 ( -4.738 -0.000 3.588) 5.943 8.867 ( 0.131 0.000 0.199) 0.238 9.303 ( 0.971 0.000 -6.353) 6.427 9.347 ( 3.418 0.000 -4.753) 5.854 9.632 ( -5.580 -0.000 4.355) 7.078 9.676 ( 2.715 0.000 7.818) 8.276 9.872 ( 18.077 0.000 -0.065) 18.077 9.993 ( 3.791 0.000 -6.433) 7.467 12.862 ( 4.618 0.000 1.983) 5.026 13.266 ( 5.568 0.000 -17.991) 18.833 14.257 ( 2.177 0.000 17.776) 17.909 14.735 ( 1.428 0.000 -4.531) 4.750======================= Grid point 268 (100/171) =======================q-point: (-0.64 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.642 ( 2.093 0.102 5.133) 5.545 1.876 ( -2.698 -0.673 0.345) 2.802 2.018 ( 1.335 1.661 -0.144) 2.136 2.290 ( -0.579 -3.103 -7.242) 7.900 2.566 ( -4.371 3.650 4.737) 7.407 2.648 ( -4.768 -0.316 -0.107) 4.780 3.015 ( -10.965 7.546 2.276) 13.503 3.144 ( -1.982 -10.730 3.693) 11.520 3.251 ( -5.320 3.494 -6.980) 9.446 3.416 ( -3.911 -3.850 -6.584) 8.571 3.796 ( 0.013 -0.570 8.051) 8.071 4.119 ( -2.989 0.552 -4.933) 5.794 4.278 ( -13.907 -1.002 0.549) 13.954 4.337 ( -6.947 -0.663 -2.554) 7.431 4.831 ( -12.468 -0.568 7.528) 14.576 5.057 ( -7.173 -0.189 -2.255) 7.521 5.488 ( -5.735 0.732 -0.369) 5.793 5.541 ( -6.713 1.010 -1.606) 6.976 5.742 ( 1.484 -0.562 0.476) 1.657 5.796 ( 1.151 0.159 -2.005) 2.318 6.380 ( -3.706 0.590 0.545) 3.792 6.397 ( -3.492 -0.852 0.214) 3.601 6.574 ( -2.594 -5.604 2.581) 6.693 6.724 ( -2.328 -4.215 -3.071) 5.711 7.775 ( -3.353 -0.218 6.614) 7.419 8.088 ( 2.686 3.153 -3.286) 5.287 8.107 ( -6.643 -0.012 -0.762) 6.687 8.132 ( -5.848 0.966 -1.270) 6.062 8.413 ( 1.648 0.463 1.083) 2.025 8.463 ( 4.958 -3.067 -0.742) 5.877 8.658 ( -3.805 0.978 4.926) 6.300 8.825 ( -4.201 -0.691 -0.508) 4.288 9.199 ( -8.264 3.522 -1.533) 9.113 9.335 ( -1.587 -0.181 -3.677) 4.009 9.523 ( -4.954 1.383 5.031) 7.194 9.607 ( -3.950 -0.023 5.646) 6.891 10.408 ( 32.226 -2.142 -2.587) 32.401 10.418 ( 30.784 -3.609 -3.105) 31.150 12.994 ( 9.395 1.338 1.339) 9.584 13.395 ( 7.127 -0.327 -19.362) 20.635 14.337 ( 5.583 -0.604 18.473) 19.308 14.786 ( 3.248 -0.853 -3.545) 4.883======================= Grid point 269 (101/171) =======================q-point: (-0.57 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 0.146 0.344 0.137) 0.398 1.807 ( -3.108 4.227 -5.305) 7.461 2.053 ( 1.379 -2.970 6.131) 6.951 2.300 ( -1.221 -5.642 -3.708) 6.861 2.439 ( -5.658 3.035 3.100) 7.130 2.534 ( -6.478 0.170 -1.220) 6.594 2.758 ( -9.790 9.687 3.835) 14.296 3.072 ( -11.501 2.158 -6.662) 13.465 3.134 ( -7.831 -8.824 1.100) 11.849 3.266 ( -14.859 -4.902 -1.741) 15.743 3.795 ( -2.940 -0.896 3.893) 4.960 3.922 ( -14.093 1.719 -1.546) 14.281 4.034 ( -9.502 -1.037 2.146) 9.797 4.307 ( 2.443 1.185 -6.814) 7.335 4.603 ( -10.793 -3.640 8.273) 14.077 4.901 ( -9.145 -3.317 -4.109) 10.560 5.192 ( -21.231 2.944 0.008) 21.434 5.196 ( -22.537 4.233 -0.002) 22.931 5.858 ( 8.577 -0.663 -0.369) 8.611 5.903 ( 8.382 -1.157 -2.178) 8.737 6.442 ( 4.584 -6.392 -0.390) 7.876 6.451 ( 5.320 -5.784 -1.376) 7.978 6.596 ( 3.816 -3.956 3.993) 6.794 6.703 ( -2.501 -5.526 -0.643) 6.099 7.719 ( -2.073 0.402 7.957) 8.232 7.857 ( -14.010 -1.305 1.261) 14.127 8.001 ( -5.458 2.353 -6.207) 8.594 8.201 ( 4.065 7.654 -7.058) 11.177 8.352 ( -9.266 2.220 0.609) 9.548 8.459 ( -4.962 -5.025 -3.483) 7.874 8.677 ( 4.179 1.000 2.041) 4.757 8.736 ( -2.771 -1.108 2.203) 3.709 9.044 ( -5.891 -2.308 6.984) 9.424 9.261 ( -8.547 -0.748 -1.853) 8.777 9.501 ( 5.708 3.196 3.825) 7.578 9.567 ( -0.280 -0.981 3.296) 3.451 11.066 ( 34.650 1.328 -0.863) 34.686 11.158 ( 38.180 -4.626 -3.865) 38.653 13.221 ( 13.767 0.163 -0.278) 13.771 13.548 ( 7.725 -1.979 -18.403) 20.057 14.486 ( 9.326 -0.205 17.590) 19.910 14.871 ( 4.616 -1.718 -1.988) 5.312======================= Grid point 270 (102/171) =======================q-point: (-0.50 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( -4.468 2.405 -6.182) 7.997 1.711 ( -2.418 8.142 -7.340) 11.226 2.088 ( -1.042 -6.520 9.551) 11.611 2.288 ( -3.579 -1.569 2.510) 4.644 2.327 ( -4.451 6.629 0.806) 8.026 2.423 ( -4.234 -1.815 -2.603) 5.291 2.495 ( -12.186 1.553 2.337) 12.505 2.742 ( -21.189 -2.121 -5.878) 22.091 2.877 ( -24.640 -6.578 1.324) 25.538 2.922 ( -18.983 -4.847 -0.474) 19.597 3.534 ( -18.036 9.531 0.334) 20.403 3.654 ( -13.702 2.774 -3.630) 14.443 3.919 ( -6.261 3.297 8.948) 11.408 4.315 ( -7.626 2.085 -3.062) 8.478 4.458 ( -4.101 -1.543 1.251) 4.556 4.589 ( -20.705 6.246 -2.241) 21.743 4.770 ( -12.076 -5.275 1.932) 13.318 4.954 ( -3.497 -14.110 -4.341) 15.171 6.015 ( 6.598 3.643 -0.075) 7.537 6.072 ( 7.307 0.918 -1.600) 7.536 6.507 ( 0.208 -2.159 1.574) 2.680 6.604 ( 1.518 -5.943 -2.695) 6.699 6.757 ( 8.132 -10.545 2.708) 13.589 6.801 ( 9.235 -9.963 1.718) 13.693 7.567 ( -15.881 -2.502 2.138) 16.219 7.709 ( 0.992 1.239 6.320) 6.516 7.813 ( -14.734 2.976 -6.391) 16.334 8.090 ( -3.901 4.589 -5.170) 7.938 8.157 ( -10.200 0.427 1.087) 10.267 8.398 ( -6.888 -6.180 -12.966) 15.930 8.665 ( 1.086 3.111 7.957) 8.612 8.846 ( 5.876 -3.191 3.717) 7.650 8.908 ( -8.029 4.774 4.574) 10.401 9.109 ( -5.076 -3.807 1.676) 6.562 9.541 ( 0.307 0.633 2.971) 3.053 9.688 ( 9.398 0.820 0.124) 9.435 11.736 ( 33.755 4.049 1.522) 34.031 11.918 ( 35.057 -2.609 -4.246) 35.409 13.514 ( 14.911 -0.662 -2.703) 15.169 13.735 ( 9.558 -3.992 -16.813) 19.748 14.706 ( 12.620 0.248 15.996) 20.376 14.996 ( 6.662 -2.863 0.293) 7.257======================= Grid point 271 (103/171) =======================q-point: (-0.43 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( -5.644 8.394 -8.606) 13.281 1.615 ( -2.826 6.700 -10.415) 12.702 1.980 ( -21.823 9.063 4.894) 24.131 2.098 ( -5.837 -6.422 8.990) 12.495 2.131 ( -28.290 1.507 -1.748) 28.384 2.181 ( -5.564 7.641 1.092) 9.515 2.321 ( -13.918 -6.141 4.354) 15.823 2.448 ( -14.239 -3.419 -1.174) 14.691 2.502 ( -10.569 -7.860 -1.835) 13.299 2.612 ( -8.844 -18.693 -4.601) 21.186 3.096 ( -17.118 14.483 2.160) 22.527 3.259 ( -24.674 3.209 -3.211) 25.088 3.557 ( -22.555 14.826 9.086) 28.480 3.999 ( -13.299 13.732 -7.861) 20.670 4.257 ( -4.223 1.709 5.776) 7.357 4.538 ( 4.769 1.201 -6.259) 7.960 4.789 ( 1.988 -17.170 4.587) 17.883 5.070 ( 2.341 -22.386 -5.730) 23.226 6.065 ( 1.448 3.542 1.141) 3.994 6.172 ( 3.963 2.248 -2.547) 5.220 6.449 ( -6.314 2.511 4.207) 7.992 6.565 ( -7.554 -1.070 -0.429) 7.641 7.038 ( 9.894 -9.961 1.038) 14.078 7.068 ( 11.270 -10.009 0.034) 15.073 7.265 ( -15.630 -3.882 0.843) 16.127 7.389 ( -20.379 0.504 -3.220) 20.638 7.807 ( 4.803 0.831 6.947) 8.487 7.954 ( -9.172 -4.984 -1.175) 10.505 8.052 ( -2.089 -1.526 -2.780) 3.797 8.254 ( -8.797 -2.400 -11.035) 14.315 8.677 ( 1.824 4.591 3.163) 5.866 8.682 ( -5.825 3.034 5.781) 8.750 8.969 ( -1.638 1.190 0.906) 2.218 9.127 ( 6.987 -3.501 1.525) 7.962 9.538 ( -0.168 1.728 4.470) 4.796 9.847 ( 6.746 1.123 -2.773) 7.380 12.313 ( 26.437 5.805 3.702) 27.318 12.531 ( 25.249 -0.070 -3.295) 25.463 13.797 ( 12.699 -1.230 -5.049) 13.721 13.960 ( 10.138 -3.759 -17.675) 20.720 14.964 ( 12.986 0.397 15.120) 19.935 15.160 ( 7.668 -3.525 3.214) 9.031======================= Grid point 272 (104/171) =======================q-point: (-0.36 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( -2.912 13.170 -7.094) 15.240 1.394 ( -25.026 7.997 0.391) 26.275 1.483 ( -30.485 2.208 -1.196) 30.588 1.555 ( -1.923 3.983 -11.586) 12.401 1.878 ( -15.631 -4.755 1.754) 16.432 2.018 ( -10.839 4.596 -2.339) 12.004 2.134 ( -6.226 9.797 4.850) 12.581 2.223 ( -2.031 -13.974 13.959) 19.855 2.498 ( -0.640 -8.386 -4.795) 9.681 2.634 ( -7.381 -2.912 0.962) 7.993 2.729 ( -22.539 3.399 0.712) 22.805 2.789 ( -7.109 -13.896 -4.128) 16.146 3.037 ( -13.488 28.054 10.104) 32.727 3.737 ( -4.270 16.905 -14.979) 22.987 4.231 ( 0.688 1.894 8.855) 9.082 4.613 ( 3.171 1.036 -7.518) 8.225 4.955 ( 2.655 -19.978 6.296) 21.114 5.272 ( 3.076 -25.194 -6.042) 26.091 6.044 ( -1.809 6.103 0.847) 6.421 6.128 ( -8.048 7.593 -1.025) 11.112 6.317 ( -6.785 -2.972 2.253) 7.743 6.382 ( -3.084 0.213 1.458) 3.418 6.963 ( -13.044 -0.046 0.120) 13.045 6.993 ( -12.832 -1.980 -1.010) 13.023 7.303 ( 12.796 -0.079 2.554) 13.049 7.434 ( 12.237 -11.767 -1.839) 17.076 7.761 ( -5.434 -0.697 0.934) 5.558 7.914 ( -4.143 -6.168 0.662) 7.460 7.967 ( -8.645 -4.183 2.666) 9.967 8.127 ( -4.988 -4.034 -9.595) 11.542 8.638 ( 3.025 2.217 4.115) 5.568 8.736 ( 5.803 4.712 -1.794) 7.688 8.870 ( -4.881 3.441 6.334) 8.706 9.294 ( 5.732 -2.501 -2.228) 6.639 9.505 ( -1.422 3.607 3.249) 5.058 9.933 ( 2.851 1.832 -4.615) 5.726 12.679 ( 13.935 7.067 5.704) 16.634 12.901 ( 12.672 2.051 -2.152) 13.016 14.002 ( 6.428 -1.223 -6.153) 8.982 14.156 ( 7.315 -2.492 -20.063) 21.500 15.180 ( 8.123 0.292 14.051) 16.233 15.325 ( 6.174 -4.035 6.741) 9.992======================= Grid point 273 (105/171) =======================q-point: (-0.29 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( -0.000 13.212 2.399) 13.428 1.096 ( -0.000 5.337 -1.559) 5.560 1.242 ( -0.000 17.500 -5.553) 18.360 1.556 ( 0.000 -3.220 -15.771) 16.096 1.724 ( 0.000 -5.056 1.934) 5.413 1.864 ( 0.000 -1.376 -3.402) 3.670 2.030 ( -0.000 15.880 8.902) 18.205 2.292 ( 0.000 -7.466 15.205) 16.939 2.396 ( -0.000 1.597 2.761) 3.189 2.511 ( -0.000 3.133 -1.690) 3.560 2.581 ( 0.000 -9.339 -5.564) 10.871 2.681 ( -0.000 23.177 15.270) 27.755 2.926 ( 0.000 -19.433 -6.964) 20.643 3.598 ( -0.000 17.460 -19.551) 26.212 4.228 ( -0.000 2.732 10.074) 10.438 4.639 ( -0.000 1.676 -7.821) 7.999 5.110 ( 0.000 -21.404 7.913) 22.820 5.466 ( 0.000 -25.603 -6.299) 26.366 5.908 ( -0.000 12.975 0.887) 13.006 5.959 ( -0.000 11.827 -1.008) 11.870 6.257 ( 0.000 -4.504 4.595) 6.434 6.416 ( -0.000 0.469 -1.849) 1.907 6.808 ( 0.000 -0.534 1.312) 1.417 6.878 ( 0.000 -3.052 -1.287) 3.312 7.445 ( -0.000 15.215 5.018) 16.021 7.715 ( 0.000 -12.722 1.986) 12.876 7.723 ( 0.000 -11.170 -2.805) 11.517 7.831 ( 0.000 -12.278 -2.298) 12.491 7.843 ( -0.000 1.559 2.773) 3.181 8.111 ( 0.000 -7.019 -10.014) 12.229 8.695 ( -0.000 3.480 2.066) 4.047 8.770 ( -0.000 1.069 9.886) 9.944 8.795 ( -0.000 4.071 -1.663) 4.397 9.357 ( -0.000 0.312 -1.466) 1.499 9.458 ( -0.000 4.803 -1.678) 5.087 9.945 ( -0.000 2.743 -5.496) 6.142 12.772 ( -0.000 7.774 6.738) 10.287 13.009 ( -0.000 3.699 -2.260) 4.335 14.065 ( 0.000 -0.569 -6.077) 6.103 14.251 ( 0.000 -2.383 -20.200) 20.340 15.262 ( 0.000 -0.232 13.337) 13.339 15.421 ( 0.000 -4.688 8.559) 9.759======================= Grid point 282 (106/171) =======================q-point: (-0.64 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 0.693 0.000 2.748) 2.834 1.819 ( -2.792 -0.000 -3.193) 4.242 2.055 ( 1.817 0.000 2.449) 3.049 2.250 ( -2.573 -0.000 -6.089) 6.610 2.459 ( -6.786 -0.000 3.262) 7.530 2.535 ( -5.776 -0.000 -0.594) 5.807 2.840 ( -10.062 -0.000 3.995) 10.826 3.035 ( -8.603 -0.000 2.861) 9.066 3.117 ( -9.805 -0.000 -5.726) 11.354 3.230 ( -14.499 -0.000 -3.457) 14.905 3.789 ( -1.867 -0.000 3.785) 4.221 3.933 ( -13.046 -0.000 -3.522) 13.513 4.027 ( -9.086 -0.000 3.848) 9.868 4.313 ( 2.201 0.000 -6.635) 6.990 4.582 ( -11.204 -0.000 8.430) 14.021 4.880 ( -9.797 -0.000 -4.004) 10.583 5.208 ( -21.477 -0.000 0.164) 21.478 5.225 ( -24.038 -0.000 -0.369) 24.040 5.853 ( 9.935 0.000 -0.573) 9.952 5.894 ( 8.407 0.000 -2.354) 8.731 6.403 ( 3.837 0.000 -0.370) 3.855 6.416 ( 4.882 0.000 -1.668) 5.159 6.573 ( 4.543 0.000 4.148) 6.152 6.669 ( -2.116 -0.000 -0.090) 2.118 7.722 ( -1.800 -0.000 8.233) 8.427 7.849 ( -14.386 -0.000 1.492) 14.463 8.016 ( -5.883 -0.000 -7.082) 9.207 8.260 ( 7.246 0.000 -8.205) 10.946 8.368 ( -8.223 -0.000 -2.885) 8.714 8.413 ( -9.229 -0.000 -1.010) 9.284 8.687 ( 6.167 0.000 4.563) 7.672 8.727 ( -4.619 -0.000 2.354) 5.184 9.029 ( -5.997 -0.000 7.922) 9.936 9.257 ( -8.545 -0.000 -2.377) 8.869 9.525 ( 6.107 0.000 3.177) 6.883 9.557 ( -1.412 -0.000 3.360) 3.644 11.084 ( 35.933 0.000 -1.983) 35.988 11.118 ( 38.643 0.000 -2.576) 38.729 13.223 ( 13.347 0.000 -0.606) 13.361 13.535 ( 7.270 0.000 -18.292) 19.684 14.485 ( 9.554 0.000 17.394) 19.845 14.860 ( 4.533 0.000 -1.791) 4.874======================= Grid point 284 (107/171) =======================q-point: (-0.57 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( -2.350 2.467 -1.939) 3.920 1.766 ( -2.373 0.675 -7.438) 7.837 2.071 ( 0.211 3.745 4.216) 5.643 2.209 ( -3.155 -8.561 -2.065) 9.355 2.348 ( -3.838 -0.512 2.464) 4.590 2.431 ( -4.170 2.110 -0.941) 4.767 2.564 ( -16.801 5.458 2.987) 17.916 2.708 ( -23.686 -3.166 -1.695) 23.957 2.826 ( -25.476 -1.753 0.532) 25.542 2.883 ( -16.532 -1.687 -2.045) 16.743 3.630 ( -13.846 5.845 -1.628) 15.117 3.671 ( -13.485 -0.342 -2.853) 13.788 3.942 ( -2.910 0.775 10.445) 10.871 4.316 ( -4.406 -0.797 1.961) 4.888 4.445 ( -3.029 -0.459 -0.239) 3.073 4.668 ( -13.582 6.357 -4.128) 15.554 4.735 ( -20.620 -0.554 -0.535) 20.634 4.805 ( -12.535 -10.157 -3.467) 16.502 6.052 ( 7.632 2.105 -1.072) 7.989 6.077 ( 8.272 -0.040 -1.692) 8.443 6.495 ( 5.242 -0.274 0.606) 5.284 6.554 ( 8.228 -2.251 -2.292) 8.833 6.664 ( 2.128 -4.281 3.841) 6.133 6.713 ( 6.003 -4.164 2.550) 7.738 7.544 ( -16.220 -1.043 2.800) 16.493 7.722 ( 2.391 0.702 7.659) 8.054 7.838 ( -15.383 1.052 -8.325) 17.523 8.143 ( -8.990 3.257 -4.268) 10.471 8.162 ( -12.626 0.539 -0.912) 12.670 8.329 ( -3.585 -4.211 -14.646) 15.655 8.691 ( 1.719 1.213 8.945) 9.189 8.816 ( 4.210 -1.404 6.185) 7.613 8.972 ( -1.883 4.943 5.853) 7.889 9.058 ( -7.678 -4.263 0.119) 8.783 9.546 ( 0.262 0.201 3.703) 3.718 9.696 ( 9.496 0.459 -1.114) 9.572 11.781 ( 34.516 2.903 0.089) 34.638 11.883 ( 36.024 -2.532 -2.354) 36.190 13.512 ( 15.225 0.075 -3.434) 15.607 13.697 ( 9.028 -1.849 -16.514) 18.911 14.709 ( 12.818 0.204 15.301) 19.962 14.971 ( 6.494 -1.067 0.777) 6.627======================= Grid point 285 (108/171) =======================q-point: (-0.50 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( -4.404 5.818 -6.876) 10.026 1.708 ( -2.029 5.493 -10.728) 12.222 2.027 ( -4.601 -0.079 7.952) 9.188 2.084 ( -22.864 5.637 2.027) 23.636 2.133 ( -27.544 -0.569 -0.566) 27.556 2.214 ( -14.056 -1.444 2.830) 14.410 2.310 ( -9.086 -7.742 -2.904) 12.285 2.359 ( -3.046 -2.555 0.229) 3.982 2.393 ( -9.574 -7.081 0.467) 11.918 2.499 ( -20.804 -1.927 -2.484) 21.040 3.229 ( -21.659 7.458 -1.057) 22.932 3.286 ( -25.416 1.209 -2.692) 25.587 3.747 ( -11.647 15.234 13.437) 23.415 4.151 ( -8.608 11.029 -0.804) 14.014 4.278 ( -5.815 2.165 4.481) 7.654 4.547 ( 1.584 -0.360 -5.473) 5.709 4.604 ( 1.024 -11.879 -1.927) 12.078 4.807 ( -0.919 -20.486 -6.696) 21.572 6.095 ( -0.385 1.381 1.354) 1.972 6.195 ( 4.658 1.513 -2.420) 5.462 6.488 ( -5.958 3.695 4.232) 8.190 6.585 ( -5.562 4.040 0.419) 6.887 6.910 ( 14.074 -10.329 0.705) 17.472 6.947 ( 15.044 -9.103 -0.501) 17.591 7.231 ( -16.042 -1.884 2.016) 16.277 7.402 ( -23.739 1.087 -3.379) 24.003 7.815 ( 5.131 0.490 7.325) 8.957 7.895 ( -12.158 -3.794 -0.959) 12.773 8.036 ( -5.463 -1.511 -8.086) 9.875 8.248 ( -4.601 0.717 -9.378) 10.471 8.720 ( -4.504 3.286 5.490) 7.824 8.725 ( 0.422 2.824 5.305) 6.025 8.981 ( 0.733 0.660 0.639) 1.175 9.085 ( 6.012 -3.230 2.223) 7.177 9.554 ( 0.518 0.967 6.093) 6.191 9.858 ( 6.832 0.752 -3.607) 7.763 12.377 ( 26.971 4.720 2.451) 27.490 12.517 ( 25.768 -1.950 -0.973) 25.860 13.794 ( 12.907 0.520 -6.367) 14.401 13.916 ( 10.813 -3.347 -17.567) 20.898 14.970 ( 13.080 0.511 14.242) 19.344 15.125 ( 7.617 -2.236 3.761) 8.785======================= Grid point 286 (109/171) =======================q-point: (-0.43 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( -4.199 5.711 -8.625) 11.164 1.475 ( -24.209 6.047 -0.320) 24.955 1.515 ( -26.606 3.286 -0.351) 26.810 1.662 ( -2.307 10.940 -10.284) 15.191 1.827 ( -16.282 -3.766 2.974) 16.974 2.031 ( -13.801 -1.360 -1.546) 13.954 2.072 ( -4.877 -8.040 8.712) 12.819 2.271 ( -0.358 9.595 1.889) 9.785 2.397 ( -0.193 -8.051 -1.851) 8.263 2.445 ( 0.331 -20.132 -3.148) 20.379 2.735 ( -23.416 1.024 -0.040) 23.438 2.782 ( -20.151 2.586 -1.322) 20.359 3.414 ( -6.297 31.728 12.502) 34.679 3.935 ( -3.773 16.274 -6.986) 18.108 4.244 ( 0.350 0.070 7.936) 7.944 4.606 ( 2.134 -3.175 -6.226) 7.308 4.735 ( 2.486 -15.316 0.065) 15.516 4.957 ( 1.165 -26.522 -6.837) 27.413 6.085 ( 0.483 0.196 3.573) 3.611 6.220 ( -3.616 6.848 -1.620) 7.911 6.302 ( -9.184 1.267 1.973) 9.478 6.389 ( -5.616 1.066 1.303) 5.863 6.954 ( -12.147 -1.472 0.119) 12.237 6.977 ( -15.270 -0.530 -0.580) 15.290 7.264 ( 15.519 -5.105 0.558) 16.347 7.309 ( 13.408 -8.839 -0.514) 16.068 7.719 ( -7.468 -6.476 -1.046) 9.940 7.857 ( -4.899 -0.431 0.039) 4.918 7.940 ( -4.303 -3.021 -1.592) 5.494 8.136 ( -4.809 3.988 -4.425) 7.656 8.669 ( 3.037 2.880 4.500) 6.145 8.784 ( 4.902 3.213 -1.403) 6.027 8.919 ( -3.982 4.983 5.932) 8.710 9.244 ( 5.341 -5.715 -2.067) 8.090 9.544 ( -0.494 2.662 7.056) 7.557 9.951 ( 3.102 1.179 -5.099) 6.084 12.758 ( 14.236 6.074 4.889) 16.231 12.909 ( 12.942 -0.697 0.314) 12.964 13.996 ( 7.129 0.221 -7.824) 10.587 14.125 ( 7.632 -2.622 -20.857) 22.363 15.187 ( 8.203 0.737 13.381) 15.713 15.280 ( 5.869 -3.312 7.026) 9.735======================= Grid point 287 (110/171) =======================q-point: (-0.36 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( -0.000 9.744 0.792) 9.776 1.153 ( -0.000 4.213 0.020) 4.213 1.392 ( -0.000 7.660 -9.562) 12.252 1.598 ( -0.000 10.387 -11.581) 15.557 1.662 ( 0.000 -5.079 2.661) 5.733 1.852 ( 0.000 -0.692 -4.518) 4.571 2.122 ( 0.000 -12.903 13.604) 18.750 2.227 ( -0.000 13.435 3.607) 13.911 2.413 ( -0.000 1.238 3.239) 3.467 2.459 ( 0.000 -10.180 -4.296) 11.049 2.544 ( -0.000 2.270 -1.869) 2.940 2.609 ( 0.000 -22.473 -4.422) 22.904 3.141 ( -0.000 36.978 12.530) 39.043 3.802 ( -0.000 16.725 -11.785) 20.460 4.249 ( -0.000 0.758 8.726) 8.758 4.644 ( 0.000 -1.270 -7.788) 7.891 4.864 ( 0.000 -18.914 3.744) 19.281 5.140 ( 0.000 -28.478 -6.553) 29.222 6.058 ( -0.000 11.693 0.681) 11.713 6.096 ( -0.000 10.674 -0.721) 10.698 6.175 ( 0.000 -7.873 6.990) 10.528 6.401 ( 0.000 -2.548 -1.924) 3.193 6.803 ( 0.000 -0.210 0.739) 0.769 6.845 ( 0.000 -2.482 -0.788) 2.604 7.506 ( 0.000 -7.176 0.083) 7.176 7.573 ( 0.000 -10.703 2.042) 10.896 7.676 ( -0.000 6.807 -2.579) 7.279 7.692 ( 0.000 -10.621 -2.347) 10.877 7.885 ( -0.000 2.685 3.514) 4.423 8.067 ( -0.000 0.409 -6.908) 6.920 8.727 ( -0.000 2.070 2.185) 3.009 8.809 ( -0.000 5.618 10.184) 11.631 8.835 ( -0.000 2.628 -1.798) 3.184 9.331 ( 0.000 -4.638 -5.120) 6.909 9.513 ( -0.000 4.241 6.235) 7.541 9.971 ( -0.000 1.764 -5.544) 5.818 12.860 ( -0.000 6.855 6.262) 9.284 13.037 ( -0.000 0.907 -0.043) 0.908 14.063 ( -0.000 0.299 -7.696) 7.702 14.221 ( 0.000 -2.498 -22.028) 22.169 15.264 ( -0.000 0.595 12.599) 12.613 15.368 ( 0.000 -4.092 8.970) 9.859======================= Grid point 298 (111/171) =======================q-point: (-0.57 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( -3.783 -0.000 -3.939) 5.461 1.728 ( -1.607 -0.000 -10.990) 11.107 2.079 ( -9.362 -0.000 0.772) 9.394 2.102 ( -5.326 -0.000 3.151) 6.188 2.137 ( -24.449 -0.000 -0.343) 24.452 2.166 ( -23.099 -0.000 -1.810) 23.170 2.226 ( -17.597 -0.000 3.920) 18.029 2.344 ( -9.165 -0.000 3.332) 9.752 2.382 ( -3.526 -0.000 -1.542) 3.849 2.492 ( -20.367 -0.000 -2.923) 20.576 3.279 ( -25.703 -0.000 -2.757) 25.851 3.287 ( -23.954 -0.000 -1.751) 24.018 3.855 ( -5.295 -0.000 16.327) 17.164 4.226 ( -4.138 -0.000 5.880) 7.191 4.303 ( -7.421 -0.000 2.899) 7.967 4.496 ( -2.570 -0.000 -4.673) 5.333 4.586 ( -4.158 -0.000 -4.641) 6.231 4.641 ( 2.264 0.000 -11.726) 11.942 6.102 ( -1.531 -0.000 1.634) 2.239 6.205 ( 4.800 0.000 -2.347) 5.343 6.516 ( -6.324 -0.000 4.323) 7.661 6.625 ( -7.068 -0.000 0.276) 7.073 6.833 ( 17.804 0.000 0.892) 17.826 6.884 ( 16.781 0.000 -0.857) 16.802 7.220 ( -15.828 -0.000 2.441) 16.015 7.409 ( -24.791 -0.000 -3.413) 25.024 7.818 ( 5.041 0.000 7.427) 8.976 7.872 ( -13.245 -0.000 -0.851) 13.272 8.025 ( -6.532 -0.000 -9.753) 11.738 8.255 ( -2.779 -0.000 -8.973) 9.394 8.741 ( 2.589 0.000 4.554) 5.238 8.745 ( -6.675 -0.000 6.492) 9.311 8.985 ( 1.988 0.000 0.584) 2.072 9.063 ( 5.178 0.000 2.715) 5.847 9.560 ( 0.785 0.000 6.730) 6.775 9.863 ( 6.820 0.000 -3.962) 7.887 12.411 ( 27.201 0.000 1.240) 27.230 12.499 ( 25.885 0.000 0.708) 25.894 13.800 ( 13.042 0.000 -6.706) 14.665 13.893 ( 11.056 0.000 -17.699) 20.869 14.974 ( 13.132 0.000 13.904) 19.125 15.111 ( 7.554 0.000 3.950) 8.524======================= Grid point 300 (112/171) =======================q-point: (-0.50 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.485 ( -16.370 1.591 -2.786) 16.681 1.533 ( -21.908 3.135 -1.756) 22.201 1.558 ( -15.076 3.031 -2.280) 15.546 1.754 ( -3.516 3.527 -10.561) 11.676 1.789 ( -15.760 -2.447 2.434) 16.134 2.022 ( -7.102 3.550 1.263) 8.040 2.048 ( -11.675 0.898 -1.510) 11.807 2.202 ( -0.564 -14.796 -1.070) 14.846 2.314 ( -0.189 -4.070 2.444) 4.751 2.380 ( 0.327 3.376 0.556) 3.437 2.747 ( -24.041 0.706 -0.660) 24.060 2.802 ( -21.179 0.830 -1.762) 21.269 3.728 ( -2.699 17.018 15.830) 23.399 4.121 ( -2.465 12.895 0.827) 13.154 4.232 ( -1.015 -1.368 6.915) 7.122 4.526 ( 1.371 -6.516 -4.654) 8.124 4.586 ( 0.191 -13.562 -4.408) 14.261 4.719 ( 1.913 -7.722 -12.808) 15.078 6.071 ( -0.930 -1.246 5.831) 6.035 6.272 ( 1.266 1.743 -3.268) 3.914 6.330 ( -9.657 2.148 2.222) 10.140 6.408 ( -9.851 1.545 0.887) 10.011 6.938 ( -11.474 -0.850 0.464) 11.515 6.975 ( -16.528 0.020 -0.633) 16.540 7.212 ( 17.213 -2.623 0.498) 17.419 7.231 ( 14.436 -3.698 -0.208) 14.904 7.654 ( -8.353 -3.117 -0.333) 8.922 7.872 ( -4.940 1.880 -4.752) 7.108 7.903 ( -2.064 -2.704 -0.184) 3.407 8.179 ( -4.237 2.189 -3.151) 5.716 8.698 ( 2.409 1.492 3.823) 4.759 8.810 ( 4.386 1.120 -1.204) 4.684 8.984 ( -1.527 4.722 5.038) 7.072 9.171 ( 3.759 -5.218 0.205) 6.434 9.566 ( 0.047 0.983 8.645) 8.701 9.961 ( 3.170 0.412 -5.573) 6.425 12.820 ( 14.583 3.938 3.208) 15.442 12.889 ( 12.874 -2.209 3.101) 13.425 14.003 ( 7.230 0.554 -8.902) 11.481 14.099 ( 8.146 -1.350 -21.161) 22.715 15.196 ( 8.532 0.638 13.401) 15.900 15.249 ( 5.458 -1.566 6.718) 8.796======================= Grid point 301 (113/171) =======================q-point: (-0.43 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( -0.000 2.022 0.901) 2.214 1.229 ( -0.000 6.042 -0.536) 6.066 1.472 ( -0.000 6.285 -7.439) 9.739 1.608 ( 0.000 -3.701 3.711) 5.241 1.731 ( -0.000 8.671 -13.820) 16.315 1.846 ( 0.000 -0.278 -5.338) 5.345 2.011 ( 0.000 -3.058 9.592) 10.068 2.293 ( 0.000 -12.593 -2.785) 12.897 2.355 ( 0.000 -7.144 0.477) 7.160 2.415 ( -0.000 0.494 -1.390) 1.475 2.425 ( -0.000 0.672 3.538) 3.601 2.565 ( -0.000 1.186 -1.973) 2.302 3.556 ( -0.000 29.786 13.643) 32.762 4.002 ( -0.000 16.896 -3.194) 17.195 4.240 ( 0.000 -2.403 8.342) 8.681 4.588 ( 0.000 -8.085 -3.962) 9.003 4.685 ( 0.000 -12.976 -4.536) 13.746 4.818 ( 0.000 -21.008 -9.994) 23.264 6.092 ( 0.000 -5.339 8.341) 9.903 6.174 ( -0.000 7.212 0.523) 7.231 6.203 ( -0.000 6.628 -0.516) 6.648 6.367 ( 0.000 -2.620 -2.504) 3.624 6.803 ( -0.000 0.140 0.303) 0.334 6.821 ( 0.000 -1.432 -0.359) 1.477 7.421 ( 0.000 -5.156 2.426) 5.698 7.468 ( 0.000 -6.486 2.013) 6.791 7.586 ( 0.000 -6.583 -2.358) 6.992 7.746 ( -0.000 3.626 -10.512) 11.120 7.894 ( 0.000 -0.388 4.110) 4.128 8.106 ( -0.000 4.154 -2.759) 4.987 8.745 ( -0.000 0.942 2.285) 2.472 8.858 ( -0.000 1.280 -1.897) 2.289 8.901 ( -0.000 9.134 8.717) 12.626 9.253 ( 0.000 -7.912 -2.629) 8.337 9.554 ( -0.000 2.425 8.792) 9.121 9.987 ( -0.000 0.882 -6.011) 6.076 12.935 ( -0.000 5.537 5.237) 7.622 13.031 ( 0.000 -1.781 2.486) 3.058 14.071 ( -0.000 0.766 -9.238) 9.269 14.194 ( 0.000 -1.818 -22.726) 22.799 15.275 ( -0.000 1.132 11.988) 12.042 15.325 ( 0.000 -3.029 9.181) 9.667======================= Grid point 315 (114/171) =======================q-point: ( 0.50 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( -0.000 0.000 1.242) 1.242 1.267 ( -0.000 0.000 -1.335) 1.335 1.518 ( -0.000 0.000 -4.510) 4.510 1.583 ( -0.000 0.000 4.398) 4.398 1.774 ( -0.000 0.000 -15.262) 15.262 1.845 ( -0.000 0.000 -5.634) 5.634 2.044 ( -0.000 0.000 2.301) 2.301 2.147 ( 0.000 -0.000 0.101) 0.101 2.301 ( -0.000 0.000 3.700) 3.700 2.429 ( -0.000 0.000 3.639) 3.639 2.449 ( -0.000 0.000 -2.689) 2.689 2.572 ( -0.000 0.000 -2.007) 2.007 3.761 ( 0.000 -0.000 17.457) 17.457 4.149 ( -0.000 0.000 3.058) 3.058 4.216 ( -0.000 0.000 5.646) 5.646 4.509 ( -0.000 0.000 -5.710) 5.710 4.538 ( -0.000 0.000 -5.196) 5.196 4.726 ( -0.000 0.000 -14.310) 14.310 6.059 ( -0.000 0.000 8.754) 8.754 6.219 ( -0.000 0.000 0.462) 0.462 6.244 ( -0.000 0.000 -0.447) 0.447 6.350 ( -0.000 0.000 -2.772) 2.772 6.805 ( 0.000 -0.000 0.106) 0.106 6.812 ( -0.000 0.000 -0.142) 0.142 7.391 ( -0.000 0.000 3.139) 3.139 7.428 ( -0.000 0.000 1.982) 1.982 7.545 ( -0.000 0.000 -2.358) 2.358 7.767 ( -0.000 0.000 -13.464) 13.464 7.890 ( -0.000 0.000 5.484) 5.484 8.134 ( -0.000 0.000 -2.034) 2.034 8.751 ( -0.000 0.000 2.324) 2.324 8.866 ( -0.000 0.000 -1.934) 1.934 8.978 ( -0.000 0.000 6.652) 6.652 9.185 ( -0.000 0.000 0.023) 0.023 9.569 ( -0.000 0.000 9.388) 9.388 9.992 ( -0.000 0.000 -6.269) 6.269 12.983 ( -0.000 0.000 2.709) 2.709 13.004 ( 0.000 -0.000 5.608) 5.608 14.076 ( -0.000 0.000 -9.827) 9.827 14.182 ( -0.000 0.000 -22.923) 22.923 15.288 ( -0.000 0.000 13.501) 13.501 15.300 ( 0.000 -0.000 7.500) 7.500======================= Grid point 410 (115/171) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( 0.000 0.000 -12.840) 12.840 0.653 ( 0.000 0.000 12.840) 12.840 1.107 ( 0.000 0.000 -19.783) 19.783 1.107 ( 0.000 0.000 19.783) 19.783 1.911 ( 0.000 0.000 -3.350) 3.350 1.911 ( 0.000 0.000 3.350) 3.350 1.947 ( 0.000 0.000 -41.947) 41.947 1.947 ( 0.000 0.000 41.947) 41.947 2.360 ( 0.000 0.000 -0.990) 0.990 2.360 ( 0.000 0.000 0.990) 0.990 2.692 ( 0.000 0.000 -5.076) 5.076 2.692 ( 0.000 0.000 5.076) 5.076 3.499 ( 0.000 0.000 -5.989) 5.989 3.499 ( 0.000 0.000 5.989) 5.989 4.362 ( 0.000 0.000 -12.453) 12.453 4.362 ( 0.000 0.000 12.453) 12.453 5.564 ( 0.000 0.000 -2.162) 2.162 5.564 ( 0.000 0.000 2.162) 2.162 5.752 ( 0.000 0.000 -1.116) 1.116 5.752 ( 0.000 0.000 1.116) 1.116 6.140 ( 0.000 0.000 -4.628) 4.628 6.140 ( 0.000 0.000 4.628) 4.628 6.905 ( 0.000 0.000 -3.834) 3.834 6.905 ( 0.000 0.000 3.834) 3.834 7.113 ( 0.000 0.000 -7.846) 7.846 7.113 ( 0.000 0.000 7.846) 7.846 8.278 ( 0.000 0.000 -1.305) 1.305 8.278 ( 0.000 0.000 1.305) 1.305 8.439 ( 0.000 0.000 -3.378) 3.378 8.439 ( 0.000 0.000 3.378) 3.378 8.485 ( 0.000 0.000 -2.327) 2.327 8.485 ( 0.000 0.000 2.327) 2.327 8.980 ( 0.000 0.000 -7.491) 7.491 8.980 ( 0.000 0.000 7.491) 7.491 9.551 ( 0.000 0.000 -12.054) 12.054 9.551 ( 0.000 0.000 12.054) 12.054 12.652 ( 0.000 0.000 -8.878) 8.878 12.652 ( 0.000 0.000 8.878) 8.878 14.173 ( 0.000 0.000 -5.974) 5.974 14.173 ( 0.000 0.000 5.974) 5.974 15.551 ( 0.000 0.000 -4.320) 4.320 15.551 ( 0.000 0.000 4.320) 4.320======================= Grid point 412 (116/171) =======================q-point: ( 0.07 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( 20.662 -0.776 -6.511) 21.678 1.115 ( 20.662 -0.776 6.511) 21.678 1.209 ( 19.127 -1.052 -8.447) 20.936 1.209 ( 19.127 -1.052 8.447) 20.936 2.009 ( 10.849 -0.573 -27.474) 29.544 2.009 ( 10.849 -0.573 27.474) 29.544 2.123 ( 16.807 -1.969 -6.729) 18.211 2.123 ( 16.807 -1.969 6.729) 18.211 2.475 ( -1.272 -1.928 -6.076) 6.500 2.475 ( -1.272 -1.928 6.076) 6.500 2.668 ( 14.889 -0.065 -6.717) 16.335 2.668 ( 14.889 -0.065 6.717) 16.335 3.469 ( -1.016 5.833 -6.876) 9.074 3.469 ( -1.016 5.833 6.876) 9.074 4.332 ( -2.428 -1.037 -11.784) 12.076 4.332 ( -2.428 -1.037 11.784) 12.076 5.720 ( 0.861 4.421 -2.728) 5.265 5.720 ( 0.861 4.421 2.728) 5.265 5.929 ( 7.210 -7.062 -2.500) 10.397 5.929 ( 7.210 -7.062 2.500) 10.397 6.247 ( 19.139 2.784 -9.203) 21.418 6.247 ( 19.139 2.784 9.203) 21.418 6.937 ( 7.596 -1.324 -7.759) 10.939 6.937 ( 7.596 -1.324 7.759) 10.939 7.300 ( 14.229 -2.942 -6.430) 15.889 7.300 ( 14.229 -2.942 6.430) 15.889 8.097 ( -11.886 4.353 -0.462) 12.666 8.097 ( -11.886 4.353 0.462) 12.666 8.432 ( -3.589 -3.131 -2.862) 5.557 8.432 ( -3.589 -3.131 2.862) 5.557 8.532 ( 4.263 3.918 -0.810) 5.846 8.532 ( 4.263 3.918 0.810) 5.846 9.005 ( 2.098 -0.313 -9.354) 9.591 9.005 ( 2.098 -0.313 9.354) 9.591 9.603 ( 4.066 -0.887 -12.469) 13.145 9.603 ( 4.066 -0.887 12.469) 13.145 12.542 ( -11.630 -1.983 -9.030) 14.856 12.542 ( -11.630 -1.983 9.030) 14.856 14.095 ( -7.164 1.162 -4.472) 8.524 14.095 ( -7.164 1.162 4.472) 8.524 15.440 ( -9.497 0.366 -1.907) 9.693 15.440 ( -9.497 0.366 1.907) 9.693======================= Grid point 414 (117/171) =======================q-point: ( 0.14 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 296Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.362 ( 13.277 6.036 -21.225) 25.753 1.362 ( 13.277 6.036 21.225) 25.753 1.628 ( 12.447 -9.324 -15.544) 21.988 1.628 ( 12.447 -9.324 15.544) 21.988 2.233 ( 3.844 3.307 -9.439) 10.715 2.233 ( 3.844 3.307 9.439) 10.715 2.576 ( 25.563 -8.313 -16.364) 31.470 2.576 ( 25.563 -8.313 16.364) 31.470 2.655 ( 25.715 1.531 -1.332) 25.795 2.655 ( 25.715 1.531 1.332) 25.795 3.161 ( 26.622 -4.216 -1.934) 27.023 3.161 ( 26.622 -4.216 1.934) 27.023 3.415 ( 2.804 10.278 -7.784) 13.194 3.415 ( 2.804 10.278 7.784) 13.194 4.295 ( -2.090 -3.027 -9.777) 10.446 4.295 ( -2.090 -3.027 9.777) 10.446 5.644 ( -4.961 7.567 -6.412) 11.089 5.644 ( -4.961 7.567 6.412) 11.089 5.938 ( -3.881 -5.003 -2.178) 6.696 5.938 ( -3.881 -5.003 2.178) 6.696 6.565 ( 11.415 1.644 -6.115) 13.054 6.565 ( 11.415 1.644 6.115) 13.054 7.229 ( 15.526 0.908 -6.412) 16.823 7.229 ( 15.526 0.908 6.412) 16.823 7.589 ( 8.990 3.402 -6.593) 11.656 7.589 ( 8.990 3.402 6.593) 11.656 7.893 ( -1.882 -0.355 -2.811) 3.401 7.893 ( -1.882 -0.355 2.811) 3.401 8.365 ( -2.579 0.270 -0.569) 2.655 8.365 ( -2.579 0.270 0.569) 2.655 8.562 ( 0.026 1.333 -5.822) 5.973 8.562 ( 0.026 1.333 5.822) 5.973 9.054 ( 2.832 0.202 -9.418) 9.837 9.054 ( 2.832 0.202 9.418) 9.837 9.679 ( 2.631 0.107 -11.210) 11.515 9.679 ( 2.631 0.107 11.210) 11.515 12.223 ( -21.678 -2.439 -9.111) 23.641 12.223 ( -21.678 -2.439 9.111) 23.641 13.896 ( -11.734 1.338 -0.448) 11.819 13.896 ( -11.734 1.338 0.448) 11.819 15.234 ( -10.223 0.385 -6.199) 11.962 15.234 ( -10.223 0.385 6.199) 11.962======================= Grid point 416 (118/171) =======================q-point: ( 0.21 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 8.086 6.529 -18.510) 21.228 1.538 ( 8.086 6.529 18.510) 21.228 1.926 ( 12.777 -10.024 -9.716) 18.924 1.926 ( 12.777 -10.024 9.716) 18.924 2.250 ( -0.480 -4.138 -5.910) 7.230 2.250 ( -0.480 -4.138 5.910) 7.230 3.008 ( 11.166 8.804 -2.380) 14.418 3.008 ( 11.166 8.804 2.380) 14.418 3.152 ( 19.472 -1.473 -5.248) 20.221 3.152 ( 19.472 -1.473 5.248) 20.221 3.499 ( 23.033 4.728 -4.204) 23.886 3.499 ( 23.033 4.728 4.204) 23.886 3.786 ( 23.723 -2.539 -6.192) 24.649 3.786 ( 23.723 -2.539 6.192) 24.649 4.337 ( 6.913 -6.087 -4.793) 10.383 4.337 ( 6.913 -6.087 4.793) 10.383 5.443 ( -9.469 9.397 -8.062) 15.587 5.443 ( -9.469 9.397 8.062) 15.587 5.879 ( -5.171 -4.976 -0.468) 7.192 5.879 ( -5.171 -4.976 0.468) 7.192 6.780 ( 12.544 2.562 -3.258) 13.211 6.780 ( 12.544 2.562 3.258) 13.211 7.297 ( -7.498 5.213 -5.222) 10.520 7.297 ( -7.498 5.213 5.222) 10.520 7.681 ( 10.578 3.166 -0.837) 11.073 7.681 ( 10.578 3.166 0.837) 11.073 7.984 ( 3.454 2.971 -6.402) 7.857 7.984 ( 3.454 2.971 6.402) 7.857 8.379 ( 3.435 1.800 -5.835) 7.006 8.379 ( 3.435 1.800 5.835) 7.006 8.529 ( -3.272 -4.941 -8.744) 10.563 8.529 ( -3.272 -4.941 8.744) 10.563 9.129 ( 5.578 1.445 -6.525) 8.705 9.129 ( 5.578 1.445 6.525) 8.705 9.701 ( 0.287 1.662 -6.879) 7.083 9.701 ( 0.287 1.662 6.879) 7.083 11.727 ( -28.992 -1.347 -7.760) 30.043 11.727 ( -28.992 -1.347 7.760) 30.043 13.630 ( -13.980 0.905 -4.193) 14.623 13.630 ( -13.980 0.905 4.193) 14.623 15.041 ( -8.722 1.419 -9.046) 12.645 15.041 ( -8.722 1.419 9.046) 12.645======================= Grid point 418 (119/171) =======================q-point: ( 0.29 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 296Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 3.795 4.164 -12.956) 14.128 1.620 ( 3.795 4.164 12.956) 14.128 2.235 ( 11.608 -6.304 -7.851) 15.367 2.235 ( 11.608 -6.304 7.851) 15.367 2.277 ( 0.730 -7.615 -10.894) 13.312 2.277 ( 0.730 -7.615 10.894) 13.312 2.981 ( -0.756 12.240 -6.571) 13.913 2.981 ( -0.756 12.240 6.571) 13.913 3.509 ( 13.366 -0.329 -1.553) 13.460 3.509 ( 13.366 -0.329 1.553) 13.460 3.944 ( 13.312 -4.831 -2.473) 14.376 3.944 ( 13.312 -4.831 2.473) 14.376 4.099 ( 17.598 11.103 -5.279) 21.467 4.099 ( 17.598 11.103 5.279) 21.467 4.728 ( 22.538 -10.678 -3.219) 25.146 4.728 ( 22.538 -10.678 3.219) 25.146 5.203 ( -8.248 6.595 -7.546) 12.979 5.203 ( -8.248 6.595 7.546) 12.979 5.789 ( -6.775 -4.679 -1.086) 8.305 5.789 ( -6.775 -4.679 1.086) 8.305 6.975 ( 2.275 8.471 -3.095) 9.301 6.975 ( 2.275 8.471 3.095) 9.301 7.112 ( 2.414 8.849 -3.224) 9.722 7.112 ( 2.414 8.849 3.224) 9.722 7.863 ( 6.133 1.709 -5.100) 8.157 7.863 ( 6.133 1.709 5.100) 8.157 7.993 ( 2.518 3.906 -2.508) 5.281 7.993 ( 2.518 3.906 2.508) 5.281 8.404 ( 0.922 -1.968 -9.691) 9.932 8.404 ( 0.922 -1.968 9.691) 9.932 8.514 ( -2.676 -4.256 -0.673) 5.072 8.514 ( -2.676 -4.256 0.673) 5.072 9.248 ( 6.106 1.146 -3.913) 7.342 9.248 ( 6.106 1.146 3.913) 7.342 9.675 ( -1.443 2.878 -2.802) 4.268 9.675 ( -1.443 2.878 2.802) 4.268 11.130 ( -30.465 -0.351 -3.380) 30.654 11.130 ( -30.465 -0.351 3.380) 30.654 13.348 ( -13.722 0.703 -6.978) 15.411 13.348 ( -13.722 0.703 6.978) 15.411 14.870 ( -7.406 2.229 -10.673) 13.181 14.870 ( -7.406 2.229 10.673) 13.181======================= Grid point 420 (120/171) =======================q-point: ( 0.36 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 1.655 2.871 -9.121) 9.705 1.650 ( 1.655 2.871 9.121) 9.705 2.298 ( -1.162 -8.320 -8.932) 12.262 2.298 ( -1.162 -8.320 8.932) 12.262 2.484 ( 7.715 -0.138 -2.203) 8.025 2.484 ( 7.715 -0.138 2.203) 8.025 2.945 ( 4.542 5.640 -4.837) 8.708 2.945 ( 4.542 5.640 4.837) 8.708 3.655 ( 1.963 -0.559 -6.673) 6.979 3.655 ( 1.963 -0.559 6.673) 6.979 4.042 ( 0.773 6.646 -1.052) 6.773 4.042 ( 0.773 6.646 1.052) 6.773 4.441 ( 17.530 4.541 -3.658) 18.474 4.441 ( 17.530 4.541 3.658) 18.474 5.006 ( -0.528 -0.532 -4.332) 4.396 5.006 ( -0.528 -0.532 4.332) 4.396 5.270 ( 15.870 -7.320 -2.072) 17.599 5.270 ( 15.870 -7.320 2.072) 17.599 5.682 ( -5.594 -4.022 -2.194) 7.231 5.682 ( -5.594 -4.022 2.194) 7.231 6.777 ( -8.470 12.844 -3.314) 15.739 6.777 ( -8.470 12.844 3.314) 15.739 7.265 ( 12.130 13.093 -3.173) 18.128 7.265 ( 12.130 13.093 3.173) 18.128 7.898 ( 0.858 0.062 -7.483) 7.532 7.898 ( 0.858 0.062 7.483) 7.532 8.088 ( 7.094 1.555 -2.155) 7.575 8.088 ( 7.094 1.555 2.155) 7.575 8.397 ( -6.878 -4.193 -5.662) 9.846 8.397 ( -6.878 -4.193 5.662) 9.846 8.533 ( 4.943 -5.346 -5.793) 9.305 8.533 ( 4.943 -5.346 5.793) 9.305 9.294 ( -1.735 2.784 -6.205) 7.019 9.294 ( -1.735 2.784 6.205) 7.019 9.622 ( -1.521 2.278 -5.349) 6.009 9.622 ( -1.521 2.278 5.349) 6.009 10.589 ( -22.814 0.280 -3.778) 23.127 10.589 ( -22.814 0.280 3.778) 23.127 13.089 ( -11.536 1.286 -9.418) 14.948 13.089 ( -11.536 1.286 9.418) 14.948 14.730 ( -5.338 1.482 -11.198) 12.493 14.730 ( -5.338 1.482 11.198) 12.493======================= Grid point 422 (121/171) =======================q-point: ( 0.43 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 296Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( 0.686 1.608 -5.589) 5.856 1.659 ( 0.686 1.608 5.589) 5.856 2.323 ( -0.789 -6.428 -7.103) 9.612 2.323 ( -0.789 -6.428 7.103) 9.612 2.538 ( 0.963 5.008 -3.070) 5.952 2.538 ( 0.963 5.008 3.070) 5.952 3.108 ( 10.626 -2.979 -2.676) 11.356 3.108 ( 10.626 -2.979 2.676) 11.356 3.624 ( -4.343 2.545 -5.841) 7.711 3.624 ( -4.343 2.545 5.841) 7.711 3.958 ( -3.144 6.175 -1.780) 7.154 3.958 ( -3.144 6.175 1.780) 7.154 4.699 ( 10.012 1.194 -5.034) 11.270 4.699 ( 10.012 1.194 5.034) 11.270 5.021 ( 1.486 -0.526 -2.859) 3.265 5.021 ( 1.486 -0.526 2.859) 3.265 5.444 ( -2.501 -2.841 -6.626) 7.630 5.444 ( -2.501 -2.841 6.626) 7.630 5.749 ( 9.435 -6.268 -4.057) 12.032 5.749 ( 9.435 -6.268 4.057) 12.032 6.538 ( -7.842 11.123 -1.328) 13.674 6.538 ( -7.842 11.123 1.328) 13.674 7.405 ( 9.562 11.715 -7.645) 16.945 7.405 ( 9.562 11.715 7.645) 16.945 7.922 ( 1.528 1.138 -3.959) 4.394 7.922 ( 1.528 1.138 3.959) 4.394 8.172 ( -4.326 -6.194 -1.816) 7.770 8.172 ( -4.326 -6.194 1.816) 7.770 8.318 ( 2.144 -1.164 -3.469) 4.241 8.318 ( 2.144 -1.164 3.469) 4.241 8.686 ( 6.312 -5.746 -5.183) 9.986 8.686 ( 6.312 -5.746 5.183) 9.986 9.140 ( -9.980 5.047 -8.231) 13.887 9.140 ( -9.980 5.047 8.231) 13.887 9.606 ( 0.401 0.547 -2.623) 2.709 9.606 ( 0.401 0.547 2.623) 2.709 10.256 ( -10.420 1.035 -6.812) 12.492 10.256 ( -10.420 1.035 6.812) 12.492 12.893 ( -6.933 1.333 -11.687) 13.654 12.893 ( -6.933 1.333 11.687) 13.654 14.647 ( -2.592 0.297 -10.937) 11.244 14.647 ( -2.592 0.297 10.937) 11.244======================= Grid point 424 (122/171) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( 0.000 -0.000 -2.950) 2.950 1.660 ( 0.000 -0.000 2.950) 2.950 2.336 ( 0.000 -0.000 -3.326) 3.326 2.336 ( 0.000 0.000 3.326) 3.326 2.525 ( 0.000 -0.000 -4.008) 4.008 2.525 ( 0.000 -0.000 4.008) 4.008 3.280 ( -0.000 0.000 -1.532) 1.532 3.280 ( -0.000 -0.000 1.532) 1.532 3.517 ( 0.000 -0.000 -2.882) 2.882 3.517 ( 0.000 -0.000 2.882) 2.882 3.906 ( 0.000 -0.000 -4.405) 4.405 3.906 ( 0.000 -0.000 4.405) 4.405 4.801 ( 0.000 -0.000 -6.398) 6.398 4.801 ( 0.000 -0.000 6.398) 6.398 5.041 ( 0.000 -0.000 -2.143) 2.143 5.041 ( 0.000 -0.000 2.143) 2.143 5.406 ( 0.000 -0.000 -7.639) 7.639 5.406 ( 0.000 -0.000 7.639) 7.639 5.901 ( 0.000 -0.000 -3.141) 3.141 5.901 ( 0.000 -0.000 3.141) 3.141 6.399 ( 0.000 -0.000 -1.405) 1.405 6.399 ( 0.000 -0.000 1.405) 1.405 7.475 ( 0.000 -0.000 -9.811) 9.811 7.475 ( 0.000 -0.000 9.811) 9.811 7.937 ( 0.000 -0.000 -2.567) 2.567 7.937 ( 0.000 -0.000 2.567) 2.567 8.107 ( 0.000 0.000 -2.613) 2.613 8.107 ( 0.000 -0.000 2.613) 2.613 8.380 ( 0.000 -0.000 -0.164) 0.164 8.380 ( 0.000 -0.000 0.164) 0.164 8.826 ( -0.000 0.000 -13.944) 13.944 8.826 ( 0.000 0.000 13.944) 13.944 8.947 ( 0.000 -0.000 -0.291) 0.291 8.947 ( 0.000 -0.000 0.291) 0.291 9.612 ( 0.000 -0.000 -3.307) 3.307 9.612 ( 0.000 -0.000 3.307) 3.307 10.152 ( 0.000 -0.000 -4.906) 4.906 10.152 ( 0.000 -0.000 4.906) 4.906 12.818 ( 0.000 -0.000 -12.650) 12.650 12.818 ( 0.000 0.000 12.650) 12.650 14.621 ( 0.000 -0.000 -10.706) 10.706 14.621 ( 0.000 -0.000 10.706) 10.706======================= Grid point 442 (123/171) =======================q-point: ( 0.07 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 161Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( 16.876 0.000 -17.471) 24.291 1.417 ( 16.876 0.000 17.471) 24.291 1.554 ( 9.012 0.000 -21.441) 23.258 1.554 ( 9.012 0.000 21.441) 23.258 2.257 ( -1.158 -0.000 -11.246) 11.306 2.257 ( -1.158 -0.000 11.246) 11.306 2.517 ( 30.895 0.000 -14.950) 34.322 2.517 ( 30.895 0.000 14.950) 34.322 2.669 ( 26.931 0.000 -0.469) 26.935 2.669 ( 26.931 0.000 0.469) 26.935 3.134 ( 26.330 0.000 -1.920) 26.400 3.134 ( 26.330 0.000 1.920) 26.400 3.481 ( 2.029 0.000 -6.948) 7.238 3.481 ( 2.029 0.000 6.948) 7.238 4.274 ( -2.488 -0.000 -10.782) 11.065 4.274 ( -2.488 -0.000 10.782) 11.065 5.696 ( -4.504 -0.000 -5.478) 7.092 5.696 ( -4.504 -0.000 5.478) 7.092 5.900 ( -3.652 -0.000 -1.540) 3.964 5.900 ( -3.652 -0.000 1.540) 3.964 6.576 ( 10.704 0.000 -6.716) 12.637 6.576 ( 10.704 0.000 6.716) 12.637 7.235 ( 16.327 0.000 -7.433) 17.940 7.235 ( 16.327 0.000 7.433) 17.940 7.609 ( 12.105 0.000 -6.387) 13.687 7.609 ( 12.105 0.000 6.387) 13.687 7.892 ( -4.194 -0.000 -1.961) 4.630 7.892 ( -4.194 -0.000 1.961) 4.630 8.363 ( -1.607 -0.000 -1.238) 2.029 8.363 ( -1.607 -0.000 1.238) 2.029 8.573 ( -1.861 -0.000 -5.891) 6.178 8.573 ( -1.861 -0.000 5.891) 6.178 9.056 ( 3.268 0.000 -9.502) 10.048 9.056 ( 3.268 0.000 9.502) 10.048 9.680 ( 3.117 0.000 -11.226) 11.650 9.680 ( 3.117 0.000 11.226) 11.650 12.208 ( -21.177 -0.000 -9.256) 23.111 12.208 ( -21.177 -0.000 9.256) 23.111 13.904 ( -12.012 -0.000 -0.429) 12.019 13.904 ( -12.012 -0.000 0.429) 12.019 15.236 ( -10.130 -0.000 -5.948) 11.747 15.236 ( -10.130 -0.000 5.948) 11.747======================= Grid point 444 (124/171) =======================q-point: ( 0.14 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.623 ( 5.726 6.475 -17.699) 19.697 1.623 ( 5.726 6.475 17.699) 19.697 1.815 ( 15.965 -7.443 -11.056) 20.797 1.815 ( 15.965 -7.443 11.056) 20.797 2.214 ( -2.153 -1.625 -8.025) 8.467 2.214 ( -2.153 -1.625 8.025) 8.467 3.075 ( 22.529 2.085 -6.265) 23.476 3.075 ( 22.529 2.085 6.265) 23.476 3.149 ( 12.784 0.994 -4.195) 13.491 3.149 ( 12.784 0.994 4.195) 13.491 3.517 ( 18.461 -0.611 -4.005) 18.900 3.517 ( 18.461 -0.611 4.005) 18.900 3.795 ( 28.257 2.123 -5.295) 28.827 3.795 ( 28.257 2.123 5.295) 28.827 4.276 ( 3.819 -3.324 -6.584) 8.305 4.276 ( 3.819 -3.324 6.584) 8.305 5.529 ( -10.572 4.240 -8.431) 14.171 5.529 ( -10.572 4.240 8.431) 14.171 5.829 ( -4.718 -2.803 -1.363) 5.654 5.829 ( -4.718 -2.803 1.363) 5.654 6.799 ( 13.392 0.762 -3.139) 13.776 6.799 ( 13.392 0.762 3.139) 13.776 7.337 ( -6.325 1.613 -7.178) 9.702 7.337 ( -6.325 1.613 7.178) 9.702 7.714 ( 9.387 1.711 -0.654) 9.564 7.714 ( 9.387 1.711 0.654) 9.564 8.008 ( 5.283 1.011 -5.871) 7.963 8.008 ( 5.283 1.011 5.871) 7.963 8.397 ( 4.214 1.071 -2.821) 5.183 8.397 ( 4.214 1.071 2.821) 5.183 8.484 ( -5.829 -2.271 -10.412) 12.147 8.484 ( -5.829 -2.271 10.412) 12.147 9.141 ( 5.589 0.567 -6.584) 8.655 9.141 ( 5.589 0.567 6.584) 8.655 9.715 ( 0.707 0.645 -7.195) 7.259 9.715 ( 0.707 0.645 7.195) 7.259 11.716 ( -28.293 -0.490 -7.693) 29.325 11.716 ( -28.293 -0.490 7.693) 29.325 13.637 ( -14.371 0.248 -3.790) 14.865 13.637 ( -14.371 0.248 3.790) 14.865 15.053 ( -8.348 0.485 -9.104) 12.362 15.053 ( -8.348 0.485 9.104) 12.362======================= Grid point 446 (125/171) =======================q-point: ( 0.21 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( 3.147 4.532 -15.116) 16.091 1.675 ( 3.147 4.532 15.116) 16.091 2.152 ( 9.485 -6.622 -11.829) 16.545 2.152 ( 9.485 -6.622 11.829) 16.545 2.212 ( 4.365 -3.212 -6.864) 8.745 2.212 ( 4.365 -3.212 6.864) 8.745 3.113 ( -2.281 9.009 -6.484) 11.331 3.113 ( -2.281 9.009 6.484) 11.331 3.490 ( 12.601 -2.411 -2.386) 13.049 3.490 ( 12.601 -2.411 2.386) 13.049 3.890 ( 14.390 -3.580 -1.780) 14.935 3.890 ( 14.390 -3.580 1.780) 14.935 4.250 ( 20.976 13.475 -5.359) 25.501 4.250 ( 20.976 13.475 5.359) 25.501 4.588 ( 21.275 -12.457 -4.118) 24.995 4.588 ( 21.275 -12.457 4.118) 24.995 5.272 ( -10.996 4.516 -8.101) 14.385 5.272 ( -10.996 4.516 8.101) 14.385 5.737 ( -6.368 -3.596 -2.142) 7.621 5.737 ( -6.368 -3.596 2.142) 7.621 7.050 ( 5.943 4.058 -2.825) 7.731 7.050 ( 5.943 4.058 2.825) 7.731 7.193 ( 2.143 4.635 -4.775) 6.991 7.193 ( 2.143 4.635 4.775) 6.991 7.891 ( 6.158 2.480 -5.526) 8.638 7.891 ( 6.158 2.480 5.526) 8.638 8.034 ( 1.362 2.528 -2.808) 4.016 8.034 ( 1.362 2.528 2.808) 4.016 8.380 ( -0.792 -1.727 -6.084) 6.374 8.380 ( -0.792 -1.727 6.084) 6.374 8.473 ( -1.888 -2.366 -2.525) 3.942 8.473 ( -1.888 -2.366 2.525) 3.942 9.260 ( 5.990 0.745 -3.227) 6.845 9.260 ( 5.990 0.745 3.227) 6.845 9.702 ( -1.298 1.622 -1.642) 2.648 9.702 ( -1.298 1.622 1.642) 2.648 11.125 ( -30.429 -0.423 -2.620) 30.544 11.125 ( -30.429 -0.423 2.620) 30.544 13.354 ( -13.627 0.269 -6.274) 15.004 13.354 ( -13.627 0.269 6.274) 15.004 14.891 ( -7.564 1.251 -10.784) 13.231 14.891 ( -7.564 1.251 10.784) 13.231======================= Grid point 448 (126/171) =======================q-point: ( 0.29 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 1.774 4.507 -12.321) 13.239 1.696 ( 1.774 4.507 12.321) 13.239 2.197 ( -1.432 -8.016 -8.922) 12.079 2.197 ( -1.432 -8.016 8.922) 12.079 2.475 ( 11.779 -1.196 -4.177) 12.555 2.475 ( 11.779 -1.196 4.177) 12.555 3.024 ( -0.415 6.634 -4.989) 8.312 3.024 ( -0.415 6.634 4.989) 8.312 3.630 ( 1.568 -3.008 -8.805) 9.436 3.630 ( 1.568 -3.008 8.805) 9.436 4.114 ( 6.541 4.726 -4.510) 9.244 4.114 ( 6.541 4.726 4.510) 9.244 4.509 ( 11.476 6.752 -5.890) 14.559 4.509 ( 11.476 6.752 5.890) 14.559 4.977 ( 5.597 -4.419 -4.502) 8.433 4.977 ( 5.597 -4.419 4.502) 8.433 5.202 ( 10.599 -3.605 -3.739) 11.803 5.202 ( 10.599 -3.605 3.739) 11.803 5.635 ( -5.334 -3.611 -3.186) 7.186 5.635 ( -5.334 -3.611 3.186) 7.186 6.913 ( -7.747 9.249 -4.629) 12.922 6.913 ( -7.747 9.249 4.629) 12.922 7.397 ( 12.784 8.772 -3.769) 15.956 7.397 ( 12.784 8.772 3.769) 15.956 7.903 ( 0.025 0.719 -8.955) 8.984 7.903 ( 0.025 0.719 8.955) 8.984 8.110 ( 5.370 1.803 -2.266) 6.101 8.110 ( 5.370 1.803 2.266) 6.101 8.340 ( -8.561 -4.689 -4.796) 10.876 8.340 ( -8.561 -4.689 4.796) 10.876 8.488 ( 5.416 -2.559 -4.479) 7.479 8.488 ( 5.416 -2.559 4.479) 7.479 9.323 ( -0.047 2.001 -4.423) 4.855 9.323 ( -0.047 2.001 4.423) 4.855 9.649 ( -2.395 1.988 -6.280) 7.009 9.649 ( -2.395 1.988 6.280) 7.009 10.582 ( -23.297 -1.077 -5.241) 23.904 10.582 ( -23.297 -1.077 5.241) 23.904 13.106 ( -10.759 1.339 -8.036) 13.496 13.106 ( -10.759 1.339 8.036) 13.496 14.744 ( -6.366 0.809 -11.438) 13.115 14.744 ( -6.366 0.809 11.438) 13.115======================= Grid point 450 (127/171) =======================q-point: ( 0.36 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 0.915 4.366 -9.735) 10.708 1.696 ( 0.915 4.366 9.735) 10.708 2.225 ( -0.791 -8.874 -9.879) 13.303 2.225 ( -0.791 -8.874 9.879) 13.303 2.608 ( 2.986 5.699 -1.112) 6.529 2.608 ( 2.986 5.699 1.112) 6.529 3.076 ( 7.064 -2.234 -2.333) 7.768 3.076 ( 7.064 -2.234 2.333) 7.767 3.629 ( -2.831 -0.855 -8.636) 9.128 3.629 ( -2.831 -0.855 8.636) 9.128 4.057 ( -5.056 9.401 -1.205) 10.743 4.057 ( -5.056 9.401 1.205) 10.743 4.674 ( 5.744 -4.932 -5.278) 9.229 4.674 ( 5.744 -4.932 5.278) 9.229 5.053 ( 4.806 5.631 -3.446) 8.165 5.053 ( 4.806 5.631 3.446) 8.165 5.405 ( 0.828 -3.853 -7.078) 8.101 5.405 ( 0.828 -3.853 7.078) 8.101 5.666 ( 7.453 -7.187 -4.764) 11.398 5.666 ( 7.453 -7.187 4.764) 11.398 6.683 ( -8.688 12.403 -1.685) 15.237 6.683 ( -8.688 12.403 1.685) 15.237 7.501 ( 1.118 4.419 -7.825) 9.056 7.501 ( 1.118 4.419 7.825) 9.056 7.932 ( 1.763 -0.175 -5.217) 5.509 7.932 ( 1.763 -0.175 5.217) 5.509 8.099 ( -5.423 -5.060 -2.774) 7.919 8.099 ( -5.423 -5.060 2.774) 7.919 8.316 ( 5.572 0.957 -4.700) 7.352 8.316 ( 5.572 0.957 4.700) 7.352 8.633 ( 7.184 -3.180 -3.152) 8.465 8.633 ( 7.184 -3.180 3.152) 8.465 9.205 ( -8.708 5.564 -6.577) 12.249 9.205 ( -8.708 5.564 6.577) 12.249 9.617 ( 0.252 1.233 -5.148) 5.300 9.617 ( 0.252 1.233 5.148) 5.300 10.246 ( -11.932 -2.301 -8.858) 15.037 10.246 ( -11.932 -2.301 8.858) 15.037 12.921 ( -6.295 2.963 -10.149) 12.305 12.921 ( -6.295 2.963 10.149) 12.305 14.643 ( -3.641 -0.801 -11.236) 11.838 14.643 ( -3.641 -0.801 11.236) 11.838======================= Grid point 452 (128/171) =======================q-point: ( 0.43 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 0.116 3.509 -5.904) 6.869 1.682 ( 0.116 3.509 5.904) 6.869 2.273 ( 0.363 -8.424 -7.744) 11.448 2.273 ( 0.363 -8.424 7.744) 11.448 2.583 ( -0.246 7.471 -2.961) 8.041 2.583 ( -0.246 7.471 2.961) 8.041 3.248 ( 4.578 -4.928 -2.477) 7.168 3.248 ( 4.578 -4.928 2.477) 7.168 3.521 ( -6.095 0.714 -4.268) 7.475 3.521 ( -6.095 0.714 4.268) 7.475 3.934 ( -1.783 4.284 -4.025) 6.143 3.934 ( -1.783 4.284 4.025) 6.143 4.751 ( -2.382 -6.880 -5.027) 8.848 4.751 ( -2.382 -6.880 5.027) 8.848 5.086 ( 1.860 6.232 -3.106) 7.207 5.086 ( 1.860 6.232 3.106) 7.207 5.407 ( 1.306 0.289 -7.307) 7.429 5.407 ( 1.306 0.289 7.307) 7.429 5.857 ( 3.836 -6.650 -3.380) 8.388 5.857 ( 3.836 -6.650 3.380) 8.388 6.454 ( -6.077 8.463 -1.555) 10.535 6.454 ( -6.077 8.463 1.555) 10.535 7.402 ( -11.618 -11.153 -6.998) 17.560 7.402 ( -11.618 -11.153 6.998) 17.560 7.935 ( -1.036 -0.089 -2.250) 2.478 7.935 ( -1.036 -0.089 2.250) 2.478 8.127 ( 6.657 2.332 -3.173) 7.734 8.127 ( 6.657 2.332 3.173) 7.734 8.390 ( 0.545 1.581 -1.030) 1.964 8.390 ( 0.545 1.581 1.030) 1.964 8.815 ( 8.344 -1.311 -9.291) 12.556 8.815 ( 8.344 -1.311 9.291) 12.556 8.991 ( -6.104 6.515 -4.185) 9.860 8.991 ( -6.104 6.515 4.185) 9.860 9.621 ( 0.299 1.408 -3.399) 3.691 9.621 ( 0.299 1.408 3.399) 3.691 10.121 ( -2.744 -4.861 -5.836) 8.076 10.121 ( -2.744 -4.861 5.836) 8.076 12.837 ( 0.044 3.050 -11.942) 12.326 12.837 ( 0.044 3.050 11.942) 12.326 14.610 ( -0.581 -1.719 -10.851) 11.001 14.610 ( -0.581 -1.719 10.851) 11.001======================= Grid point 454 (129/171) =======================q-point: (-0.50 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( -0.606 1.950 -2.564) 3.278 1.660 ( -0.606 1.950 2.564) 3.278 2.333 ( 1.290 -5.278 -3.386) 6.402 2.333 ( 1.290 -5.278 3.386) 6.402 2.534 ( -0.738 4.930 -5.232) 7.227 2.534 ( -0.738 4.930 5.232) 7.227 3.145 ( -11.674 3.229 -2.649) 12.398 3.145 ( -11.674 3.229 2.649) 12.398 3.557 ( 4.024 -8.301 -3.304) 9.798 3.557 ( 4.024 -8.301 3.304) 9.798 3.924 ( 1.627 0.309 -5.294) 5.547 3.924 ( 1.627 0.309 5.294) 5.547 4.654 ( -10.869 -5.475 -3.545) 12.676 4.654 ( -10.869 -5.475 3.545) 12.676 5.052 ( -1.796 3.843 -3.256) 5.348 5.052 ( -1.796 3.843 3.256) 5.348 5.472 ( 4.425 1.819 -5.675) 7.423 5.472 ( 4.425 1.819 5.675) 7.423 5.805 ( -8.757 2.749 -3.356) 9.773 5.805 ( -8.757 2.749 3.356) 9.773 6.435 ( 4.599 -5.384 -1.046) 7.158 6.435 ( 4.599 -5.384 1.046) 7.158 7.231 ( -13.190 -16.655 -4.364) 21.689 7.231 ( -13.190 -16.655 4.364) 21.689 7.915 ( -0.813 0.024 -1.469) 1.679 7.915 ( -0.813 0.024 1.469) 1.679 8.231 ( -0.740 3.358 -4.012) 5.284 8.231 ( -0.740 3.358 4.012) 5.284 8.339 ( 1.537 2.063 -1.655) 3.059 8.339 ( 1.537 2.063 1.655) 3.059 8.767 ( -5.506 7.079 -6.886) 11.307 8.767 ( -5.506 7.079 6.886) 11.307 9.096 ( 10.539 -1.550 -9.189) 14.068 9.096 ( 10.539 -1.550 9.189) 14.068 9.607 ( -0.665 0.868 -0.455) 1.185 9.607 ( -0.665 0.868 0.455) 1.185 10.215 ( 9.384 -6.005 -5.362) 12.364 10.215 ( 9.384 -6.005 5.362) 12.364 12.893 ( 6.806 1.284 -12.153) 13.988 12.893 ( 6.806 1.284 12.153) 13.988 14.634 ( 1.963 -1.685 -10.833) 11.138 14.634 ( 1.963 -1.685 10.833) 11.138======================= Grid point 456 (130/171) =======================q-point: (-0.43 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( -1.580 0.247 -4.736) 4.999 1.633 ( -1.580 0.247 4.736) 4.999 2.373 ( 1.463 2.210 -5.361) 5.981 2.373 ( 1.463 2.210 5.361) 5.981 2.483 ( -3.792 1.136 -5.513) 6.787 2.483 ( -3.792 1.136 5.513) 6.787 2.906 ( -9.479 -0.530 -5.111) 10.782 2.906 ( -9.479 -0.530 5.111) 10.782 3.626 ( -2.855 -5.934 -3.211) 7.326 3.626 ( -2.855 -5.934 3.211) 7.326 3.979 ( 2.192 -3.182 -4.155) 5.674 3.979 ( 2.192 -3.182 4.155) 5.674 4.395 ( -17.997 -3.424 -2.074) 18.437 4.395 ( -17.997 -3.424 2.074) 18.437 5.001 ( -1.600 -0.932 -4.767) 5.114 5.001 ( -1.600 -0.932 4.767) 5.114 5.362 ( -15.224 7.510 -1.490) 17.041 5.362 ( -15.224 7.510 1.490) 17.041 5.725 ( 5.359 2.938 -1.367) 6.263 5.725 ( 5.359 2.938 1.367) 6.263 6.621 ( 7.735 -12.648 -2.335) 15.009 6.621 ( 7.735 -12.648 2.335) 15.009 7.092 ( -10.851 -15.495 -1.226) 18.956 7.092 ( -10.851 -15.495 1.226) 18.956 7.902 ( -0.518 0.708 -4.867) 4.945 7.902 ( -0.518 0.708 4.867) 4.945 8.078 ( -8.558 -0.038 -2.393) 8.886 8.078 ( -8.558 -0.038 2.393) 8.886 8.432 ( 4.223 1.733 -5.817) 7.394 8.432 ( 4.223 1.733 5.817) 7.394 8.614 ( -4.394 7.596 -6.440) 10.885 8.614 ( -4.394 7.596 6.440) 10.885 9.260 ( 3.153 -2.828 -7.401) 8.527 9.260 ( 3.153 -2.828 7.401) 8.527 9.600 ( 0.224 -1.309 -4.785) 4.966 9.600 ( 0.224 -1.309 4.785) 4.966 10.569 ( 23.233 -3.126 -2.634) 23.590 10.569 ( 23.233 -3.126 2.634) 23.590 13.078 ( 11.581 -0.533 -10.425) 15.591 13.078 ( 11.581 -0.533 10.425) 15.591 14.709 ( 4.531 -2.043 -10.925) 12.002 14.709 ( 4.531 -2.043 10.925) 12.002======================= Grid point 458 (131/171) =======================q-point: (-0.36 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( -3.915 -1.305 -8.647) 9.581 1.586 ( -3.915 -1.305 8.647) 9.581 2.308 ( -9.533 6.232 -5.548) 12.668 2.308 ( -9.533 6.232 5.548) 12.668 2.369 ( -0.737 6.648 -11.245) 13.084 2.369 ( -0.737 6.648 11.245) 13.084 2.837 ( -1.590 -10.974 -6.216) 12.712 2.837 ( -1.590 -10.974 6.216) 12.712 3.489 ( -13.999 -3.983 -1.084) 14.595 3.489 ( -13.999 -3.983 1.084) 14.595 3.959 ( -21.227 -4.610 -0.839) 21.738 3.959 ( -21.227 -4.610 0.839) 21.738 4.034 ( -4.829 2.614 -6.297) 8.355 4.034 ( -4.829 2.614 6.297) 8.355 4.836 ( -21.795 6.902 -2.507) 22.999 4.836 ( -21.795 6.902 2.507) 22.999 5.127 ( 3.033 -5.428 -6.561) 9.040 5.127 ( 3.033 -5.428 6.561) 9.040 5.841 ( 6.873 3.678 -0.518) 7.812 5.841 ( 6.873 3.678 0.518) 7.812 6.849 ( 2.301 -12.263 -2.247) 12.678 6.849 ( 2.301 -12.263 2.247) 12.678 6.990 ( -2.709 -11.106 -2.652) 11.735 6.990 ( -2.709 -11.106 2.652) 11.735 7.857 ( -6.049 0.659 -3.466) 7.003 7.857 ( -6.049 0.659 3.466) 7.003 7.948 ( -4.083 -3.354 -2.488) 5.841 7.948 ( -4.083 -3.354 2.488) 5.841 8.422 ( -2.522 0.986 -10.118) 10.474 8.422 ( -2.522 0.986 10.118) 10.474 8.572 ( 2.880 5.397 -2.484) 6.602 8.572 ( 2.880 5.397 2.484) 6.602 9.233 ( -6.031 -1.277 -4.723) 7.766 9.233 ( -6.031 -1.277 4.723) 7.766 9.637 ( 1.611 -3.215 -3.738) 5.187 9.637 ( 1.611 -3.215 3.738) 5.187 11.131 ( 31.086 -0.366 -4.199) 31.371 11.131 ( 31.086 -0.366 4.199) 31.371 13.336 ( 13.499 -1.308 -7.688) 15.590 13.336 ( 13.499 -1.308 7.688) 15.590 14.840 ( 7.225 -2.672 -10.374) 12.921 14.840 ( 7.225 -2.672 10.374) 12.921======================= Grid point 460 (132/171) =======================q-point: (-0.29 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( -8.096 -2.767 -14.216) 16.592 1.481 ( -8.096 -2.767 14.216) 16.592 2.046 ( -10.888 9.987 -5.183) 15.657 2.046 ( -10.888 9.987 5.183) 15.657 2.306 ( -2.524 4.925 -6.607) 8.619 2.306 ( -2.524 4.925 6.607) 8.619 2.881 ( -5.253 -12.098 -5.014) 14.110 2.881 ( -5.253 -12.098 5.014) 14.110 3.159 ( -18.708 -1.652 -3.930) 19.187 3.159 ( -18.708 -1.652 3.930) 19.187 3.430 ( -28.360 -4.301 -4.132) 28.981 3.430 ( -28.360 -4.301 4.132) 28.981 3.856 ( -18.671 8.051 -7.318) 21.610 3.856 ( -18.671 8.051 7.318) 21.610 4.407 ( -10.409 5.302 -2.705) 11.991 4.407 ( -10.409 5.302 2.705) 11.991 5.314 ( 7.937 -11.945 -8.120) 16.481 5.314 ( 7.937 -11.945 8.120) 16.481 5.937 ( 5.216 4.386 -1.382) 6.954 5.937 ( 5.216 4.386 1.382) 6.954 6.737 ( -10.655 -4.571 -3.574) 12.132 6.737 ( -10.655 -4.571 3.574) 12.132 7.211 ( 9.386 -9.070 -2.660) 13.321 7.211 ( 9.386 -9.070 2.660) 13.321 7.651 ( -12.422 -1.685 -1.206) 12.594 7.651 ( -12.422 -1.685 1.206) 12.594 7.942 ( -0.997 -3.704 -7.044) 8.020 7.942 ( -0.997 -3.704 7.044) 8.020 8.354 ( -5.133 -2.530 -7.640) 9.546 8.354 ( -5.133 -2.530 7.640) 9.546 8.597 ( 2.265 6.305 -7.276) 9.890 8.597 ( 2.265 6.305 7.276) 9.890 9.109 ( -5.645 -1.772 -6.761) 8.985 9.109 ( -5.645 -1.772 6.761) 8.985 9.678 ( 0.650 -1.973 -6.377) 6.707 9.678 ( 0.650 -1.973 6.377) 6.707 11.747 ( 30.275 1.862 -7.789) 31.316 11.747 ( 30.275 1.862 7.789) 31.316 13.614 ( 13.313 -1.868 -4.758) 14.261 13.614 ( 13.313 -1.868 4.758) 14.261 15.020 ( 9.269 -2.137 -8.770) 12.938 15.020 ( 9.269 -2.137 8.770) 12.938======================= Grid point 462 (133/171) =======================q-point: (-0.21 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( -10.305 -2.621 -20.073) 22.716 1.307 ( -10.305 -2.621 20.073) 22.716 1.747 ( -15.087 10.274 -9.777) 20.706 1.747 ( -15.087 10.274 9.777) 20.706 2.195 ( -8.998 -2.661 -7.792) 12.197 2.195 ( -8.998 -2.661 7.792) 12.197 2.599 ( -23.669 -3.505 -2.962) 24.109 2.599 ( -23.669 -3.505 2.962) 24.109 2.728 ( -18.519 12.098 -15.477) 26.998 2.728 ( -18.519 12.098 15.477) 26.998 3.185 ( -11.896 -7.642 -3.748) 14.627 3.185 ( -11.896 -7.642 3.748) 14.627 3.300 ( -20.077 -0.628 -6.129) 21.001 3.300 ( -20.077 -0.628 6.129) 21.001 4.335 ( 1.443 3.276 -8.185) 8.934 4.335 ( 1.443 3.276 8.185) 8.934 5.531 ( 6.014 -11.342 -7.754) 14.998 5.531 ( 6.014 -11.342 7.754) 14.998 5.997 ( 3.509 4.378 -3.072) 6.397 5.997 ( 3.509 4.378 3.072) 6.397 6.543 ( -11.830 -1.801 -5.284) 13.081 6.543 ( -11.830 -1.801 5.284) 13.081 7.217 ( -13.079 -0.926 -4.456) 13.848 7.217 ( -13.079 -0.926 4.456) 13.848 7.528 ( -4.283 -6.781 -6.431) 10.280 7.528 ( -4.283 -6.781 6.431) 10.280 7.902 ( -1.171 1.154 -4.094) 4.412 7.902 ( -1.171 1.154 4.094) 4.412 8.336 ( 2.847 -5.202 -1.467) 6.109 8.336 ( 2.847 -5.202 1.467) 6.109 8.561 ( -3.185 1.904 -4.997) 6.225 8.561 ( -3.185 1.904 4.997) 6.225 9.052 ( -1.675 -0.229 -9.089) 9.245 9.052 ( -1.675 -0.229 9.089) 9.245 9.679 ( -1.313 0.214 -11.067) 11.147 9.679 ( -1.313 0.214 11.067) 11.147 12.264 ( 22.961 4.146 -8.743) 24.917 12.264 ( 22.961 4.146 8.743) 24.917 13.872 ( 11.070 -2.582 -1.140) 11.424 13.872 ( 11.070 -2.582 1.140) 11.424 15.226 ( 10.451 -0.978 -6.450) 12.320 15.226 ( 10.451 -0.978 6.450) 12.320======================= Grid point 464 (134/171) =======================q-point: (-0.14 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( -11.625 2.151 -16.782) 20.528 1.132 ( -11.625 2.151 16.782) 20.528 1.237 ( -26.156 3.816 -8.474) 27.758 1.237 ( -26.156 3.816 8.474) 27.758 2.005 ( -8.910 -1.340 -9.189) 12.869 2.005 ( -8.910 -1.340 9.189) 12.869 2.169 ( -14.637 4.838 -9.557) 18.138 2.169 ( -14.637 4.838 9.557) 18.138 2.532 ( -0.026 8.026 -4.175) 9.047 2.532 ( -0.026 8.026 4.175) 9.047 2.677 ( -19.717 2.083 -6.523) 20.872 2.677 ( -19.717 2.083 6.523) 20.872 3.339 ( 0.985 -15.206 -8.738) 17.566 3.339 ( 0.985 -15.206 8.738) 17.566 4.354 ( 1.758 2.569 -10.425) 10.880 4.354 ( 1.758 2.569 10.425) 10.880 5.659 ( 0.958 -5.409 -5.481) 7.760 5.659 ( 0.958 -5.409 5.481) 7.760 6.003 ( -4.126 1.606 -4.576) 6.368 6.003 ( -4.126 1.606 4.576) 6.368 6.226 ( -17.522 2.356 -4.367) 18.211 6.226 ( -17.522 2.356 4.367) 18.211 6.959 ( -8.059 1.838 -5.099) 9.712 6.959 ( -8.059 1.838 5.099) 9.712 7.361 ( -9.810 6.483 -8.453) 14.482 7.361 ( -9.810 6.483 8.453) 14.482 8.015 ( 8.378 -8.356 -1.541) 11.933 8.015 ( 8.378 -8.356 1.541) 11.933 8.432 ( -4.531 -9.769 -1.656) 10.895 8.432 ( -4.531 -9.769 1.656) 10.895 8.501 ( 4.087 5.040 -2.606) 6.993 8.501 ( 4.087 5.040 2.606) 6.993 9.013 ( -2.096 0.885 -10.536) 10.779 9.013 ( -2.096 0.885 10.536) 10.779 9.624 ( -3.002 2.459 -13.256) 13.813 9.624 ( -3.002 2.459 13.256) 13.813 12.586 ( 12.183 5.185 -8.525) 15.748 12.586 ( 12.183 5.185 8.525) 15.748 14.069 ( 6.687 -3.072 -4.056) 8.403 14.069 ( 6.687 -3.072 4.056) 8.403 15.431 ( 8.951 -1.052 -4.726) 10.177 15.431 ( 8.951 -1.052 4.726) 10.177======================= Grid point 466 (135/171) =======================q-point: (-0.07 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 161Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( -0.000 6.670 -11.478) 13.276 0.695 ( -0.000 6.670 11.478) 13.276 1.117 ( -0.000 1.613 -21.087) 21.149 1.117 ( -0.000 1.613 21.087) 21.149 1.900 ( 0.000 -1.872 -3.115) 3.634 1.900 ( 0.000 -1.872 3.115) 3.634 2.010 ( -0.000 9.724 -34.345) 35.695 2.010 ( -0.000 9.724 34.345) 35.695 2.370 ( -0.000 1.583 -1.233) 2.006 2.370 ( -0.000 1.583 1.233) 2.006 2.651 ( 0.000 -5.004 -5.719) 7.599 2.651 ( 0.000 -5.004 5.719) 7.599 3.432 ( 0.000 -11.018 -7.607) 13.388 3.432 ( 0.000 -11.018 7.607) 13.388 4.364 ( -0.000 0.922 -11.349) 11.387 4.364 ( -0.000 0.922 11.349) 11.387 5.591 ( -0.000 4.488 -2.105) 4.957 5.591 ( -0.000 4.488 2.105) 4.957 5.821 ( -0.000 6.754 -3.246) 7.493 5.821 ( -0.000 6.754 3.246) 7.493 6.115 ( 0.000 -1.231 -1.469) 1.916 6.115 ( 0.000 -1.231 1.469) 1.916 6.900 ( 0.000 -0.822 -3.679) 3.770 6.900 ( 0.000 -0.822 3.679) 3.770 7.182 ( -0.000 10.740 -7.024) 12.833 7.182 ( -0.000 10.740 7.024) 12.833 8.208 ( 0.000 -9.724 -2.003) 9.928 8.208 ( 0.000 -9.724 2.003) 9.928 8.380 ( 0.000 -9.456 -3.885) 10.223 8.380 ( 0.000 -9.456 3.885) 10.223 8.538 ( -0.000 6.861 -2.328) 7.245 8.538 ( -0.000 6.861 2.328) 7.245 8.982 ( -0.000 0.338 -8.433) 8.440 8.982 ( -0.000 0.338 8.433) 8.440 9.568 ( -0.000 2.768 -12.967) 13.259 9.568 ( -0.000 2.768 12.967) 13.259 12.679 ( -0.000 4.231 -8.551) 9.541 12.679 ( -0.000 4.231 8.551) 9.541 14.156 ( 0.000 -2.695 -5.928) 6.512 14.156 ( 0.000 -2.695 5.928) 6.512 15.542 ( 0.000 -1.476 -5.538) 5.732 15.542 ( 0.000 -1.476 5.538) 5.732======================= Grid point 472 (136/171) =======================q-point: ( 0.14 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( 2.575 0.000 -14.987) 15.207 1.707 ( 2.575 0.000 14.987) 15.207 2.107 ( 8.868 0.000 -8.686) 12.413 2.107 ( 8.868 0.000 8.686) 12.413 2.193 ( 5.811 0.000 -6.266) 8.546 2.193 ( 5.811 0.000 6.266) 8.546 3.173 ( -3.258 -0.000 -6.401) 7.182 3.173 ( -3.258 -0.000 6.401) 7.182 3.470 ( 12.494 0.000 -2.881) 12.822 3.470 ( 12.494 0.000 2.881) 12.822 3.867 ( 15.487 0.000 -1.291) 15.541 3.867 ( 15.487 0.000 1.291) 15.541 4.383 ( 25.307 0.000 -5.754) 25.953 4.383 ( 25.307 0.000 5.754) 25.953 4.462 ( 17.187 0.000 -4.140) 17.679 4.462 ( 17.187 0.000 4.140) 17.679 5.301 ( -12.095 -0.000 -8.475) 14.769 5.301 ( -12.095 -0.000 8.475) 14.769 5.714 ( -6.020 -0.000 -2.749) 6.617 5.714 ( -6.020 -0.000 2.749) 6.617 7.073 ( 7.241 0.000 -2.400) 7.628 7.073 ( 7.241 0.000 2.400) 7.628 7.221 ( 2.112 0.000 -5.657) 6.038 7.221 ( 2.112 0.000 5.657) 6.038 7.909 ( 6.285 0.000 -4.700) 7.848 7.909 ( 6.285 0.000 4.700) 7.848 8.049 ( 0.894 0.000 -3.299) 3.418 8.049 ( 0.894 0.000 3.299) 3.418 8.369 ( -1.655 -0.000 -2.064) 2.645 8.369 ( -1.655 -0.000 2.064) 2.645 8.459 ( -1.407 -0.000 -3.560) 3.828 8.459 ( -1.407 -0.000 3.560) 3.828 9.264 ( 5.918 0.000 -2.957) 6.616 9.264 ( 5.918 0.000 2.957) 6.616 9.712 ( -1.249 -0.000 -0.837) 1.504 9.712 ( -1.249 -0.000 0.837) 1.504 11.122 ( -30.493 -0.000 -2.319) 30.581 11.122 ( -30.493 -0.000 2.319) 30.581 13.355 ( -13.544 -0.000 -5.985) 14.808 13.355 ( -13.544 -0.000 5.985) 14.808 14.899 ( -7.624 -0.000 -10.806) 13.225 14.899 ( -7.624 -0.000 10.806) 13.225======================= Grid point 474 (137/171) =======================q-point: ( 0.21 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( 1.940 2.628 -13.477) 13.868 1.744 ( 1.940 2.628 13.477) 13.868 2.121 ( -1.645 -3.801 -4.799) 6.339 2.121 ( -1.645 -3.801 4.799) 6.339 2.463 ( 13.722 -0.591 -4.961) 14.603 2.463 ( 13.722 -0.591 4.961) 14.603 3.085 ( -3.447 3.022 -4.898) 6.709 3.085 ( -3.447 3.022 4.898) 6.709 3.598 ( 2.089 -1.666 -9.567) 9.933 3.598 ( 2.089 -1.666 9.567) 9.933 4.150 ( 11.268 1.383 -5.827) 12.761 4.150 ( 11.268 1.383 5.827) 12.761 4.585 ( 1.552 4.609 -5.404) 7.270 4.585 ( 1.552 4.609 5.404) 7.270 4.917 ( 17.974 -4.021 -4.101) 18.870 4.917 ( 17.974 -4.021 4.101) 18.870 5.180 ( 3.375 -0.585 -5.016) 6.074 5.180 ( 3.375 -0.585 5.016) 6.074 5.603 ( -4.987 -1.480 -3.938) 6.525 5.603 ( -4.987 -1.480 3.938) 6.525 6.989 ( -6.749 3.294 -5.679) 9.415 6.989 ( -6.749 3.294 5.679) 9.415 7.469 ( 13.487 3.149 -1.762) 13.962 7.469 ( 13.487 3.149 1.762) 13.962 7.912 ( -1.647 0.575 -8.189) 8.373 7.912 ( -1.647 0.575 8.189) 8.373 8.124 ( 3.108 0.447 -4.161) 5.212 8.124 ( 3.108 0.447 4.161) 5.212 8.300 ( -7.698 -1.748 -3.132) 8.493 8.300 ( -7.698 -1.748 3.132) 8.493 8.468 ( 5.344 -0.824 -2.025) 5.774 8.468 ( 5.344 -0.824 2.025) 5.774 9.340 ( 1.027 0.743 -2.946) 3.207 9.340 ( 1.027 0.743 2.946) 3.207 9.666 ( -2.752 0.767 -7.078) 7.633 9.666 ( -2.752 0.767 7.078) 7.633 10.570 ( -23.867 -0.629 -6.245) 24.678 10.570 ( -23.867 -0.629 6.245) 24.678 13.118 ( -10.049 0.567 -7.058) 12.293 13.118 ( -10.049 0.567 7.058) 12.293 14.750 ( -7.085 0.243 -11.587) 13.583 14.750 ( -7.085 0.243 11.587) 13.583======================= Grid point 476 (138/171) =======================q-point: ( 0.29 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 296Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( 1.283 4.706 -12.615) 13.526 1.753 ( 1.283 4.706 12.615) 13.526 2.127 ( -0.978 -6.905 -9.095) 11.461 2.127 ( -0.978 -6.905 9.095) 11.461 2.663 ( 5.891 3.148 -4.439) 8.020 2.663 ( 5.891 3.148 4.439) 8.020 3.056 ( 2.401 -1.150 -1.808) 3.219 3.056 ( 2.401 -1.150 1.808) 3.219 3.617 ( -1.089 -0.872 -9.413) 9.516 3.617 ( -1.089 -0.872 9.413) 9.516 4.162 ( -6.549 7.386 -2.308) 10.138 4.162 ( -6.549 7.386 2.308) 10.138 4.603 ( 2.732 -5.805 -4.113) 7.621 4.603 ( 2.732 -5.805 4.113) 7.621 5.141 ( 7.347 8.494 -4.953) 12.274 5.141 ( 7.347 8.494 4.953) 12.274 5.348 ( 5.127 -5.879 -6.798) 10.347 5.348 ( 5.127 -5.879 6.798) 10.347 5.590 ( 3.949 -4.850 -5.202) 8.135 5.590 ( 3.949 -4.850 5.202) 8.135 6.815 ( -7.523 8.769 -2.464) 11.814 6.815 ( -7.523 8.769 2.464) 11.814 7.521 ( -10.031 -0.185 -3.567) 10.648 7.521 ( -10.031 -0.185 3.567) 10.648 7.911 ( 0.836 -2.558 -4.199) 4.987 7.911 ( 0.836 -2.558 4.199) 4.987 8.064 ( -0.906 -1.170 -8.223) 8.355 8.064 ( -0.906 -1.170 8.223) 8.355 8.336 ( 6.900 1.866 -5.229) 8.857 8.336 ( 6.900 1.866 5.229) 8.857 8.606 ( 7.894 -1.468 -1.580) 8.183 8.606 ( 7.894 -1.468 1.580) 8.183 9.264 ( -7.122 3.798 -4.284) 9.138 9.264 ( -7.122 3.798 4.284) 9.138 9.632 ( 0.285 0.989 -7.818) 7.886 9.632 ( 0.285 0.989 7.818) 7.886 10.213 ( -13.549 -2.562 -10.735) 17.475 10.213 ( -13.549 -2.562 10.735) 17.475 12.955 ( -5.413 2.385 -8.424) 10.293 12.955 ( -5.413 2.385 8.424) 10.293 14.632 ( -4.667 -0.879 -11.592) 12.527 14.632 ( -4.667 -0.879 11.592) 12.527======================= Grid point 478 (139/171) =======================q-point: ( 0.36 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 0.329 5.567 -9.993) 11.444 1.738 ( 0.329 5.567 9.993) 11.444 2.167 ( 0.329 -8.650 -9.865) 13.125 2.167 ( 0.329 -8.650 9.865) 13.125 2.672 ( -0.189 6.850 -0.965) 6.920 2.672 ( -0.189 6.850 0.965) 6.920 3.176 ( 5.271 -6.324 -3.944) 9.129 3.176 ( 5.271 -6.324 3.944) 9.129 3.533 ( -7.524 1.265 -5.355) 9.321 3.533 ( -7.524 1.265 5.355) 9.321 3.993 ( -4.010 4.864 -3.705) 7.312 3.993 ( -4.010 4.864 3.705) 7.312 4.665 ( -2.022 -6.751 -3.209) 7.744 4.665 ( -2.022 -6.751 3.209) 7.744 5.164 ( 0.301 6.080 -3.295) 6.922 5.164 ( 0.301 6.080 3.295) 6.922 5.414 ( 2.770 1.001 -5.967) 6.654 5.414 ( 2.770 1.001 5.967) 6.654 5.764 ( 5.792 -8.165 -3.520) 10.612 5.764 ( 5.792 -8.165 3.520) 10.612 6.580 ( -8.952 11.799 -1.538) 14.890 6.580 ( -8.952 11.799 1.538) 14.890 7.241 ( -18.111 -14.487 -2.384) 23.315 7.241 ( -18.111 -14.487 2.384) 23.315 7.936 ( -0.059 0.131 -0.857) 0.869 7.936 ( -0.059 0.131 0.857) 0.869 8.145 ( 7.095 0.600 -5.014) 8.709 8.145 ( 7.095 0.600 5.014) 8.709 8.413 ( 0.638 1.945 -2.710) 3.397 8.413 ( 0.638 1.945 2.710) 3.397 8.803 ( 9.534 -0.656 -4.011) 10.364 8.803 ( 9.534 -0.656 4.011) 10.364 9.083 ( -4.652 7.972 -4.948) 10.473 9.083 ( -4.652 7.972 4.948) 10.473 9.644 ( 1.160 2.351 -4.118) 4.881 9.644 ( 1.160 2.351 4.118) 4.881 10.045 ( -6.062 -7.232 -7.979) 12.358 10.045 ( -6.062 -7.232 7.979) 12.358 12.882 ( 0.089 3.856 -10.245) 10.947 12.882 ( 0.089 3.856 10.245) 10.947 14.585 ( -1.052 -2.237 -11.195) 11.465 14.585 ( -1.052 -2.237 11.195) 11.465======================= Grid point 480 (140/171) =======================q-point: (-0.57 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 296Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( -0.591 5.014 -5.573) 7.520 1.703 ( -0.591 5.014 5.573) 7.520 2.239 ( 1.480 -9.043 -7.578) 11.891 2.239 ( 1.480 -9.043 7.578) 11.891 2.614 ( -1.230 7.026 -3.803) 8.084 2.614 ( -1.230 7.026 3.803) 8.084 3.181 ( -9.382 2.409 -2.874) 10.104 3.181 ( -9.382 2.409 2.874) 10.104 3.449 ( 0.829 -8.812 -4.308) 9.843 3.449 ( 0.829 -8.812 4.308) 9.843 3.947 ( 0.662 2.749 -6.776) 7.342 3.947 ( 0.662 2.749 6.776) 7.342 4.584 ( -9.818 -5.770 -2.210) 11.600 4.584 ( -9.818 -5.770 2.210) 11.600 5.098 ( -3.852 3.453 -3.166) 6.065 5.098 ( -3.852 3.453 3.166) 6.065 5.487 ( 4.551 0.664 -4.254) 6.265 5.487 ( 4.551 0.664 4.254) 6.265 5.811 ( -4.836 -1.502 -2.853) 5.812 5.811 ( -4.836 -1.502 2.853) 5.812 6.419 ( -0.932 2.684 -1.037) 3.025 6.419 ( -0.932 2.684 1.037) 3.025 7.024 ( -13.535 -17.276 -0.983) 21.969 7.024 ( -13.535 -17.276 0.983) 21.969 7.920 ( -0.527 0.759 -1.368) 1.651 7.920 ( -0.527 0.759 1.368) 1.651 8.255 ( -1.676 0.916 -4.490) 4.880 8.255 ( -1.676 0.916 4.490) 4.880 8.361 ( 1.127 1.532 -0.605) 1.996 8.361 ( 1.127 1.532 0.605) 1.996 8.830 ( -4.414 2.707 -6.335) 8.182 8.830 ( -4.414 2.707 6.335) 8.182 9.121 ( 9.068 5.810 -7.981) 13.405 9.121 ( 9.068 5.810 7.981) 13.405 9.630 ( -0.830 3.053 -1.948) 3.715 9.630 ( -0.830 3.053 1.948) 3.715 10.114 ( 8.902 -10.586 -4.843) 14.654 10.114 ( 8.902 -10.586 4.843) 14.654 12.920 ( 5.938 2.946 -11.327) 13.124 12.920 ( 5.938 2.946 11.327) 13.124 14.609 ( 1.883 -2.399 -10.905) 11.323 14.609 ( 1.883 -2.399 10.905) 11.323======================= Grid point 482 (141/171) =======================q-point: (-0.50 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.657 ( -1.549 3.619 -1.517) 4.219 1.657 ( -1.549 3.619 1.517) 4.219 2.327 ( 2.130 -7.925 -3.724) 9.012 2.327 ( 2.130 -7.925 3.724) 9.012 2.534 ( -3.434 5.883 -5.135) 8.530 2.534 ( -3.434 5.883 5.135) 8.530 2.933 ( -10.829 4.664 -6.218) 13.330 2.933 ( -10.829 4.664 6.218) 13.330 3.521 ( -2.561 -10.764 -3.455) 11.592 3.521 ( -2.561 -10.764 3.455) 11.592 3.965 ( 1.769 0.291 -6.888) 7.118 3.965 ( 1.769 0.291 6.888) 7.118 4.355 ( -15.844 -3.313 -1.637) 16.269 4.355 ( -15.844 -3.313 1.637) 16.269 4.989 ( -5.467 -0.884 -5.084) 7.517 4.989 ( -5.467 -0.884 5.084) 7.517 5.440 ( -12.321 5.277 -1.482) 13.485 5.440 ( -12.321 5.277 1.482) 13.485 5.750 ( 4.123 1.291 -0.925) 4.418 5.750 ( 4.123 1.291 0.925) 4.418 6.490 ( 5.139 -8.856 -1.706) 10.380 6.490 ( 5.139 -8.856 1.706) 10.380 6.906 ( -8.556 -15.031 -1.638) 17.373 6.906 ( -8.556 -15.031 1.638) 17.373 7.914 ( 0.186 1.367 -4.891) 5.082 7.914 ( 0.186 1.367 4.891) 5.082 8.086 ( -9.549 1.138 -1.823) 9.788 8.086 ( -9.549 1.138 1.823) 9.788 8.443 ( 2.993 0.335 -4.680) 5.566 8.443 ( 2.993 0.335 4.680) 5.566 8.700 ( -4.778 6.224 -6.451) 10.158 8.700 ( -4.778 6.224 6.451) 10.158 9.233 ( 2.883 -1.426 -7.383) 8.053 9.233 ( 2.883 -1.426 7.383) 8.053 9.595 ( -1.105 0.538 -4.567) 4.729 9.595 ( -1.105 0.538 4.567) 4.729 10.514 ( 25.098 -5.988 -1.924) 25.875 10.514 ( 25.098 -5.988 1.924) 25.875 13.077 ( 10.579 0.322 -10.498) 14.907 13.077 ( 10.579 0.322 10.498) 14.907 14.683 ( 4.267 -2.178 -10.641) 11.670 14.683 ( 4.267 -2.178 10.641) 11.670======================= Grid point 484 (142/171) =======================q-point: (-0.43 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 296Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( -3.662 2.217 -3.562) 5.570 1.591 ( -3.662 2.217 3.562) 5.570 2.382 ( -7.009 5.286 -5.202) 10.204 2.382 ( -7.009 5.286 5.202) 10.204 2.404 ( 0.107 -1.701 -3.207) 3.632 2.404 ( 0.107 -1.701 3.207) 3.632 2.752 ( -5.705 -1.778 -7.224) 9.375 2.752 ( -5.705 -1.778 7.224) 9.375 3.415 ( -14.033 -7.966 -1.304) 16.189 3.415 ( -14.033 -7.966 1.304) 16.189 3.909 ( -17.325 -2.895 -1.346) 17.616 3.909 ( -17.325 -2.895 1.346) 17.616 4.082 ( -3.541 4.018 -6.176) 8.175 4.082 ( -3.541 4.018 6.176) 8.175 4.873 ( -14.166 -1.256 -4.821) 15.017 4.873 ( -14.166 -1.256 4.821) 15.017 5.098 ( -9.451 1.352 -3.404) 10.136 5.098 ( -9.451 1.352 3.404) 10.136 5.873 ( 7.001 1.512 -0.978) 7.228 5.873 ( 7.001 1.512 0.978) 7.228 6.693 ( 5.023 -13.363 -1.043) 14.314 6.693 ( 5.023 -13.363 1.043) 14.314 6.857 ( -1.721 -10.749 -2.935) 11.275 6.857 ( -1.721 -10.749 2.935) 11.275 7.877 ( -5.666 2.560 -5.187) 8.097 7.877 ( -5.666 2.560 5.187) 8.097 7.917 ( -5.602 -1.788 -2.965) 6.586 7.917 ( -5.602 -1.788 2.965) 6.586 8.426 ( -4.036 -0.314 -8.191) 9.136 8.426 ( -4.036 -0.314 8.191) 9.137 8.638 ( 2.537 5.440 -3.734) 7.069 8.638 ( 2.537 5.440 3.734) 7.069 9.217 ( -5.582 -1.486 -5.310) 7.846 9.217 ( -5.582 -1.486 5.310) 7.846 9.603 ( 1.564 -2.249 -4.155) 4.977 9.603 ( 1.564 -2.249 4.155) 4.977 11.120 ( 32.616 -1.381 -4.549) 32.961 11.120 ( 32.616 -1.381 4.549) 32.961 13.317 ( 12.740 -1.830 -7.955) 15.131 13.317 ( 12.740 -1.830 7.955) 15.131 14.809 ( 7.115 -2.473 -9.828) 12.383 14.809 ( 7.115 -2.473 9.828) 12.383======================= Grid point 486 (143/171) =======================q-point: (-0.36 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( -7.216 1.480 -8.163) 10.995 1.473 ( -7.216 1.480 8.163) 10.995 2.163 ( -9.007 9.563 -4.658) 13.938 2.163 ( -9.007 9.563 4.658) 13.938 2.360 ( -5.383 3.742 -7.827) 10.210 2.360 ( -5.383 3.742 7.827) 10.210 2.728 ( -3.078 -12.959 -6.361) 14.760 2.728 ( -3.078 -12.959 6.361) 14.760 3.096 ( -21.043 -8.102 -1.414) 22.593 3.096 ( -21.043 -8.102 1.414) 22.593 3.431 ( -25.651 3.963 -5.807) 26.597 3.431 ( -25.651 3.963 5.807) 26.597 3.960 ( -14.208 8.980 -8.664) 18.909 3.960 ( -14.208 8.980 8.664) 18.909 4.462 ( -13.982 3.831 -0.875) 14.524 4.462 ( -13.982 3.831 0.875) 14.524 5.162 ( 5.347 -13.427 -7.908) 16.474 5.162 ( 5.347 -13.427 7.908) 16.474 5.981 ( 5.217 3.071 -2.180) 6.435 5.981 ( 5.217 3.071 2.180) 6.435 6.674 ( -7.505 -5.738 -3.829) 10.193 6.674 ( -7.505 -5.738 3.829) 10.193 7.085 ( 10.857 -11.788 -1.149) 16.066 7.085 ( 10.857 -11.788 1.149) 16.066 7.642 ( -14.238 0.156 -2.096) 14.392 7.642 ( -14.238 0.156 2.096) 14.392 7.904 ( 0.951 -2.275 -7.544) 7.936 7.904 ( 0.951 -2.275 7.544) 7.936 8.317 ( -7.849 -3.675 -7.959) 11.767 8.317 ( -7.849 -3.675 7.959) 11.767 8.676 ( 2.418 6.686 -6.230) 9.453 8.676 ( 2.418 6.686 6.230) 9.453 9.088 ( -5.892 -1.708 -7.414) 9.623 9.088 ( -5.892 -1.708 7.414) 9.623 9.657 ( 2.008 -1.487 -5.816) 6.331 9.657 ( 2.008 -1.487 5.816) 6.331 11.770 ( 31.956 1.924 -7.541) 32.890 11.770 ( 31.956 1.924 7.541) 32.890 13.585 ( 12.564 -2.887 -5.115) 13.869 13.585 ( 12.564 -2.887 5.115) 13.869 14.992 ( 9.747 -2.375 -8.137) 12.917 14.992 ( 9.747 -2.375 8.137) 12.917======================= Grid point 488 (144/171) =======================q-point: (-0.29 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 296Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( -8.017 1.924 -14.218) 16.436 1.303 ( -8.017 1.924 14.218) 16.436 1.869 ( -17.775 10.074 -7.236) 21.675 1.869 ( -17.775 10.074 7.236) 21.675 2.174 ( -10.800 -0.722 -6.309) 12.528 2.174 ( -10.800 -0.722 6.309) 12.528 2.551 ( -21.069 -4.284 -3.063) 21.717 2.551 ( -21.069 -4.284 3.063) 21.717 2.843 ( -10.710 1.134 -13.205) 17.040 2.843 ( -10.710 1.134 13.205) 17.040 3.029 ( -7.930 -8.253 -6.971) 13.401 3.029 ( -7.930 -8.253 6.971) 13.401 3.395 ( -29.682 12.064 -7.101) 32.817 3.395 ( -29.682 12.064 7.101) 32.817 4.367 ( 1.118 2.116 -7.343) 7.723 4.367 ( 1.118 2.116 7.343) 7.723 5.372 ( 6.248 -15.220 -8.497) 18.517 5.372 ( 6.248 -15.220 8.497) 18.517 6.040 ( 2.312 3.012 -3.721) 5.317 6.040 ( 2.312 3.012 3.721) 5.317 6.526 ( -10.006 -0.868 -5.136) 11.281 6.526 ( -10.006 -0.868 5.136) 11.281 7.205 ( -8.346 -1.499 -2.882) 8.956 7.205 ( -8.346 -1.499 2.882) 8.956 7.434 ( -3.966 -8.388 -5.052) 10.565 7.434 ( -3.966 -8.388 5.052) 10.565 7.921 ( -1.274 1.854 -4.919) 5.409 7.921 ( -1.274 1.854 4.919) 5.409 8.244 ( -0.792 -9.587 -3.069) 10.097 8.244 ( -0.792 -9.587 3.069) 10.097 8.607 ( -3.989 5.255 -3.283) 7.369 8.607 ( -3.989 5.255 3.283) 7.369 9.049 ( -0.146 -0.183 -8.438) 8.441 9.049 ( -0.146 -0.183 8.438) 8.441 9.685 ( 0.419 0.859 -10.661) 10.704 9.685 ( 0.419 0.859 10.661) 10.704 12.318 ( 24.565 4.821 -8.204) 26.343 12.318 ( 24.565 4.821 8.204) 26.343 13.835 ( 10.378 -3.558 -2.068) 11.164 13.835 ( 10.378 -3.558 2.068) 11.164 15.210 ( 10.714 -1.581 -6.115) 12.437 15.210 ( 10.714 -1.581 6.115) 12.437======================= Grid point 490 (145/171) =======================q-point: (-0.21 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( -4.462 4.090 -17.848) 18.846 1.169 ( -4.462 4.090 17.848) 18.846 1.297 ( -30.582 5.855 -7.180) 31.954 1.297 ( -30.582 5.855 7.180) 31.954 1.984 ( -9.981 -1.875 -3.421) 10.717 1.984 ( -9.981 -1.875 3.421) 10.717 2.216 ( -8.746 2.935 -5.760) 10.876 2.216 ( -8.746 2.935 5.760) 10.876 2.634 ( -7.667 5.765 -5.721) 11.169 2.634 ( -7.667 5.765 5.721) 11.169 2.759 ( -18.011 14.018 -16.288) 28.040 2.759 ( -18.011 14.018 16.288) 28.040 3.127 ( 0.181 -18.992 -10.331) 21.621 3.127 ( 0.181 -18.992 10.331) 21.621 4.387 ( 1.622 2.697 -9.630) 10.131 4.387 ( 1.622 2.697 9.630) 10.131 5.567 ( 5.140 -11.278 -7.916) 14.706 5.567 ( 5.140 -11.278 7.916) 14.706 5.983 ( -10.700 -1.485 -4.925) 11.872 5.983 ( -10.700 -1.485 4.925) 11.872 6.300 ( -7.640 7.194 -3.044) 10.927 6.300 ( -7.640 7.194 3.044) 10.927 6.975 ( -9.474 0.848 -2.871) 9.936 6.975 ( -9.474 0.848 2.871) 9.936 7.430 ( -1.437 4.015 -10.333) 11.179 7.430 ( -1.437 4.015 10.333) 11.179 7.920 ( 2.992 -6.556 -3.318) 7.933 7.920 ( 2.992 -6.556 3.318) 7.933 8.282 ( -6.899 -13.991 -1.175) 15.643 8.282 ( -6.899 -13.991 1.175) 15.643 8.572 ( 5.491 6.044 -1.761) 8.354 8.572 ( 5.491 6.044 1.761) 8.354 9.027 ( -1.929 1.436 -12.065) 12.302 9.027 ( -1.929 1.436 12.065) 12.302 9.660 ( -1.451 3.446 -13.700) 14.201 9.660 ( -1.451 3.446 13.700) 14.201 12.659 ( 13.021 6.745 -7.808) 16.614 12.659 ( 13.021 6.745 7.808) 16.614 14.025 ( 6.106 -4.138 -3.320) 8.089 14.025 ( 6.106 -4.138 3.320) 8.089 15.415 ( 8.306 -1.601 -5.631) 10.162 15.415 ( 8.306 -1.601 5.631) 10.162======================= Grid point 492 (146/171) =======================q-point: (-0.14 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.799 ( -0.000 10.227 -8.528) 13.316 0.799 ( -0.000 10.227 8.528) 13.316 1.145 ( -0.000 3.171 -21.140) 21.376 1.145 ( -0.000 3.171 21.140) 21.376 1.869 ( 0.000 -3.131 -2.703) 4.137 1.869 ( 0.000 -3.131 2.703) 4.137 2.143 ( -0.000 10.374 -11.127) 15.212 2.143 ( -0.000 10.374 11.127) 15.212 2.395 ( -0.000 2.561 -1.793) 3.126 2.395 ( -0.000 2.561 1.793) 3.126 2.633 ( -0.000 4.531 -10.548) 11.480 2.633 ( -0.000 4.531 10.548) 11.480 3.250 ( 0.000 -18.570 -9.939) 21.063 3.250 ( 0.000 -18.570 9.939) 21.063 4.388 ( -0.000 2.746 -10.349) 10.707 4.388 ( -0.000 2.746 10.349) 10.707 5.669 ( -0.000 8.436 -1.938) 8.656 5.669 ( -0.000 8.436 1.938) 8.656 5.781 ( 0.000 -12.983 -9.331) 15.988 5.781 ( 0.000 -12.983 9.331) 15.988 6.191 ( -0.000 11.755 -4.318) 12.523 6.191 ( -0.000 11.755 4.318) 12.523 6.886 ( 0.000 -1.495 -3.240) 3.568 6.886 ( 0.000 -1.495 3.240) 3.568 7.340 ( -0.000 14.411 -9.320) 17.162 7.340 ( -0.000 14.411 9.320) 17.162 8.074 ( 0.000 -12.162 -2.468) 12.410 8.074 ( 0.000 -12.162 2.468) 12.410 8.230 ( 0.000 -14.697 -4.392) 15.339 8.230 ( 0.000 -14.697 4.392) 15.339 8.621 ( -0.000 6.688 -2.329) 7.081 8.621 ( -0.000 6.688 2.329) 7.081 8.989 ( -0.000 0.939 -10.950) 10.990 8.989 ( -0.000 0.939 10.950) 10.990 9.613 ( -0.000 4.525 -14.197) 14.900 9.613 ( -0.000 4.525 14.197) 14.900 12.747 ( -0.000 6.879 -7.816) 10.412 12.747 ( -0.000 6.879 7.816) 10.412 14.113 ( 0.000 -4.281 -5.541) 7.002 14.113 ( 0.000 -4.281 5.541) 7.002 15.519 ( 0.000 -2.195 -6.651) 7.004 15.519 ( 0.000 -2.195 6.651) 7.004======================= Grid point 502 (147/171) =======================q-point: ( 0.21 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 161Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 1.568 0.000 -13.346) 13.438 1.787 ( 1.568 0.000 13.346) 13.438 2.080 ( -1.174 -0.000 -5.647) 5.768 2.080 ( -1.174 -0.000 5.647) 5.768 2.681 ( 7.382 0.000 -5.806) 9.392 2.681 ( 7.382 0.000 5.806) 9.392 3.049 ( 0.096 0.000 -1.627) 1.630 3.049 ( 0.096 0.000 1.627) 1.630 3.612 ( -0.303 -0.000 -9.489) 9.494 3.612 ( -0.303 -0.000 9.489) 9.494 4.212 ( -7.344 -0.000 -2.306) 7.697 4.212 ( -7.344 -0.000 2.306) 7.697 4.563 ( 2.126 0.000 -2.731) 3.461 4.563 ( 2.126 0.000 2.731) 3.461 5.224 ( 7.187 0.000 -4.566) 8.515 5.224 ( 7.187 0.000 4.566) 8.515 5.282 ( 8.262 0.000 -2.011) 8.503 5.282 ( 8.262 0.000 2.011) 8.503 5.560 ( 1.952 0.000 -5.392) 5.735 5.560 ( 1.952 0.000 5.392) 5.735 6.871 ( -6.285 -0.000 -3.142) 7.026 6.871 ( -6.285 -0.000 3.142) 7.026 7.516 ( -15.958 -0.000 -0.618) 15.970 7.516 ( -15.958 -0.000 0.618) 15.970 7.893 ( 1.592 0.000 -5.303) 5.537 7.893 ( 1.592 0.000 5.303) 5.537 8.059 ( 0.832 0.000 -9.854) 9.889 8.059 ( 0.832 0.000 9.854) 9.889 8.349 ( 7.097 0.000 -5.296) 8.855 8.349 ( 7.097 0.000 5.296) 8.855 8.597 ( 8.236 0.000 -0.236) 8.239 8.597 ( 8.236 0.000 0.236) 8.239 9.288 ( -6.336 -0.000 -2.832) 6.940 9.288 ( -6.336 -0.000 2.832) 6.940 9.638 ( 0.349 0.000 -9.119) 9.125 9.638 ( 0.349 0.000 9.119) 9.125 10.196 ( -14.320 -0.000 -11.502) 18.368 10.196 ( -14.320 -0.000 11.502) 18.368 12.971 ( -5.004 -0.000 -7.646) 9.138 12.971 ( -5.004 -0.000 7.646) 9.138 14.626 ( -5.101 -0.000 -11.757) 12.816 14.626 ( -5.101 -0.000 11.757) 12.816======================= Grid point 504 (148/171) =======================q-point: ( 0.29 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.799 ( 0.651 3.604 -12.864) 13.375 1.799 ( 0.651 3.604 12.864) 13.375 2.082 ( 0.094 -4.550 -9.336) 10.386 2.082 ( 0.094 -4.550 9.336) 10.386 2.735 ( -0.111 3.028 -1.386) 3.332 2.735 ( -0.111 3.028 1.386) 3.332 3.115 ( 4.756 -3.100 -4.798) 7.434 3.115 ( 4.756 -3.100 4.798) 7.434 3.546 ( -7.262 0.638 -5.653) 9.225 3.546 ( -7.262 0.638 5.653) 9.225 4.037 ( -5.770 2.126 -3.874) 7.268 4.037 ( -5.770 2.126 3.874) 7.268 4.605 ( -1.089 -2.825 -1.598) 3.424 4.605 ( -1.089 -2.825 1.598) 3.424 5.218 ( -2.143 2.526 -1.548) 3.656 5.218 ( -2.143 2.526 1.548) 3.656 5.430 ( 3.901 1.179 -3.498) 5.371 5.430 ( 3.901 1.179 3.498) 5.371 5.683 ( 7.213 -4.288 -2.716) 8.820 5.683 ( 7.213 -4.288 2.716) 8.820 6.710 ( -8.491 8.091 -0.888) 11.762 6.710 ( -8.491 8.091 0.888) 11.762 7.088 ( -22.303 -9.114 -1.316) 24.130 7.088 ( -22.303 -9.114 1.316) 24.130 7.937 ( 0.771 0.069 -1.200) 1.428 7.937 ( 0.771 0.069 1.200) 1.428 8.147 ( 6.463 -0.090 -5.288) 8.351 8.147 ( 6.463 -0.090 5.288) 8.351 8.430 ( 0.278 0.759 -3.537) 3.628 8.430 ( 0.278 0.759 3.537) 3.628 8.798 ( 9.227 -0.154 -0.986) 9.281 8.798 ( 9.227 -0.154 0.986) 9.281 9.159 ( -2.357 3.750 -2.805) 5.243 9.159 ( -2.357 3.750 2.805) 5.243 9.671 ( 3.058 1.639 -4.950) 6.045 9.671 ( 3.058 1.639 4.950) 6.045 9.970 ( -9.799 -4.098 -9.961) 14.562 9.970 ( -9.799 -4.098 9.961) 14.562 12.918 ( 0.122 1.740 -8.717) 8.890 12.918 ( 0.122 1.740 8.717) 8.890 14.563 ( -1.319 -1.033 -11.494) 11.615 14.563 ( -1.319 -1.033 11.494) 11.615======================= Grid point 506 (149/171) =======================q-point: (-0.64 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( -0.528 5.724 -9.264) 10.903 1.771 ( -0.528 5.724 9.264) 10.903 2.135 ( 1.311 -7.714 -9.320) 12.169 2.135 ( 1.311 -7.714 9.320) 12.169 2.686 ( -1.972 4.659 -1.818) 5.376 2.686 ( -1.972 4.659 1.818) 5.376 3.196 ( -1.925 0.015 -5.335) 5.672 3.196 ( -1.925 0.015 5.335) 5.672 3.367 ( -6.640 -4.282 -3.021) 8.459 3.367 ( -6.640 -4.282 3.021) 8.459 3.978 ( -0.226 1.992 -7.317) 7.586 3.978 ( -0.226 1.992 7.317) 7.586 4.526 ( -8.743 -3.629 -1.225) 9.545 4.526 ( -8.743 -3.629 1.225) 9.545 5.131 ( -5.541 1.890 -2.554) 6.388 5.131 ( -5.541 1.890 2.554) 6.388 5.490 ( 3.333 0.025 -2.606) 4.231 5.490 ( 3.333 0.025 2.606) 4.231 5.784 ( -0.422 -2.373 -1.886) 3.060 5.784 ( -0.422 -2.373 1.886) 3.060 6.487 ( -6.293 7.929 -1.136) 10.187 6.487 ( -6.293 7.929 1.136) 10.187 6.831 ( -12.075 -14.514 -1.715) 18.958 6.831 ( -12.075 -14.514 1.715) 18.958 7.930 ( -0.365 0.640 -2.775) 2.872 7.930 ( -0.365 0.640 2.776) 2.872 8.259 ( 0.004 0.016 -3.797) 3.797 8.259 ( 0.004 0.016 3.797) 3.797 8.374 ( -0.796 0.689 -2.171) 2.413 8.374 ( -0.796 0.689 2.171) 2.413 8.839 ( -3.099 -0.321 -4.224) 5.249 8.839 ( -3.099 -0.321 4.224) 5.249 9.208 ( 5.844 6.978 -4.185) 10.018 9.208 ( 5.844 6.978 4.185) 10.018 9.686 ( -1.118 6.628 -4.477) 8.076 9.686 ( -1.118 6.628 4.477) 8.076 9.971 ( 9.479 -12.628 -5.083) 16.588 9.971 ( 9.479 -12.628 5.083) 16.588 12.954 ( 4.894 2.392 -9.847) 11.254 12.954 ( 4.894 2.392 9.847) 11.254 14.583 ( 2.134 -1.775 -11.034) 11.378 14.583 ( 2.134 -1.775 11.034) 11.378======================= Grid point 508 (150/171) =======================q-point: (-0.57 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( -1.554 5.858 -4.725) 7.685 1.716 ( -1.554 5.858 4.725) 7.685 2.218 ( 1.813 -9.451 -7.282) 12.068 2.218 ( 1.813 -9.451 7.282) 12.068 2.598 ( -4.485 4.482 -3.202) 7.104 2.598 ( -4.485 4.482 3.202) 7.104 3.008 ( -9.376 7.572 -6.636) 13.758 3.008 ( -9.376 7.572 6.636) 13.758 3.386 ( -2.078 -11.420 -5.230) 12.731 3.386 ( -2.078 -11.420 5.230) 12.731 3.972 ( 0.016 0.604 -7.704) 7.727 3.972 ( 0.016 0.604 7.704) 7.727 4.318 ( -13.350 -2.600 -1.325) 13.665 4.318 ( -13.350 -2.600 1.325) 13.665 4.981 ( -8.509 -0.483 -5.276) 10.024 4.981 ( -8.509 -0.483 5.276) 10.024 5.485 ( -8.115 2.311 -1.629) 8.593 5.485 ( -8.115 2.311 1.629) 8.593 5.758 ( 1.878 0.266 -1.003) 2.146 5.758 ( 1.878 0.266 1.003) 2.146 6.415 ( 0.742 -3.685 -1.153) 3.932 6.415 ( 0.742 -3.685 1.153) 3.932 6.745 ( -5.290 -11.452 -3.108) 12.992 6.745 ( -5.290 -11.452 3.108) 12.992 7.932 ( 0.863 1.431 -6.927) 7.126 7.932 ( 0.863 1.431 6.927) 7.126 8.102 ( -10.025 1.335 -0.654) 10.134 8.102 ( -10.025 1.335 0.654) 10.134 8.444 ( 2.674 -0.137 -2.885) 3.936 8.444 ( 2.674 -0.137 2.885) 3.936 8.753 ( -4.370 2.529 -5.589) 7.532 8.753 ( -4.370 2.529 5.590) 7.532 9.229 ( 0.069 0.695 -5.919) 5.960 9.229 ( 0.069 0.695 5.919) 5.960 9.612 ( -2.554 2.132 -4.205) 5.361 9.612 ( -2.554 2.132 4.205) 5.361 10.435 ( 28.402 -6.686 -1.112) 29.200 10.435 ( 28.402 -6.686 1.112) 29.200 13.084 ( 9.007 0.662 -9.686) 13.244 13.084 ( 9.007 0.662 9.687) 13.244 14.659 ( 4.477 -1.689 -10.374) 11.424 14.659 ( 4.477 -1.689 10.374) 11.424======================= Grid point 510 (151/171) =======================q-point: (-0.50 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( -3.348 5.156 -0.999) 6.228 1.636 ( -3.348 5.156 0.999) 6.228 2.314 ( 1.653 -10.336 -5.078) 11.634 2.314 ( 1.653 -10.336 5.078) 11.634 2.450 ( -7.286 4.804 -3.325) 9.339 2.450 ( -7.286 4.804 3.325) 9.339 2.794 ( -8.078 7.245 -9.736) 14.578 2.794 ( -8.078 7.245 9.736) 14.578 3.309 ( -13.036 -9.343 -2.306) 16.203 3.309 ( -13.036 -9.343 2.306) 16.203 3.885 ( -13.825 -1.438 -2.394) 14.104 3.885 ( -13.825 -1.438 2.394) 14.104 4.122 ( -2.266 2.685 -6.892) 7.736 4.122 ( -2.266 2.685 6.892) 7.736 4.828 ( -9.504 -4.901 -6.933) 12.744 4.828 ( -9.504 -4.901 6.933) 12.744 5.142 ( -18.992 4.802 -0.940) 19.612 5.142 ( -18.992 4.802 0.940) 19.612 5.877 ( 7.606 -0.659 -1.241) 7.734 5.877 ( 7.606 -0.659 1.241) 7.734 6.543 ( 5.138 -11.130 -0.352) 12.264 6.543 ( 5.138 -11.130 0.352) 12.264 6.742 ( 0.407 -8.035 -3.002) 8.588 6.742 ( 0.407 -8.035 3.002) 8.588 7.899 ( -8.660 -0.203 -2.243) 8.949 7.899 ( -8.660 -0.203 2.243) 8.949 7.919 ( -3.142 2.979 -7.682) 8.818 7.919 ( -3.142 2.979 7.682) 8.818 8.416 ( -5.701 -1.226 -5.299) 7.880 8.416 ( -5.701 -1.226 5.299) 7.880 8.697 ( 2.265 4.269 -3.518) 5.977 8.697 ( 2.265 4.269 3.518) 5.977 9.198 ( -4.913 -1.649 -5.478) 7.541 9.198 ( -4.913 -1.649 5.478) 7.541 9.586 ( 1.064 -0.593 -3.668) 3.865 9.586 ( 1.064 -0.593 3.668) 3.865 11.100 ( 34.863 -1.973 -4.003) 35.147 11.100 ( 34.863 -1.973 4.003) 35.147 13.294 ( 11.583 -1.868 -7.567) 13.961 13.294 ( 11.583 -1.868 7.567) 13.961 14.783 ( 7.119 -1.792 -9.129) 11.714 14.783 ( 7.119 -1.792 9.129) 11.714======================= Grid point 512 (152/171) =======================q-point: (-0.43 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( -6.140 4.922 -3.059) 8.443 1.513 ( -6.140 4.922 3.059) 8.443 2.268 ( -6.944 7.294 -3.522) 10.669 2.268 ( -6.944 7.294 3.522) 10.669 2.374 ( -3.529 -2.897 -2.456) 5.184 2.374 ( -3.529 -2.897 2.456) 5.184 2.601 ( -8.584 -5.960 -6.488) 12.300 2.601 ( -8.584 -5.960 6.488) 12.300 2.993 ( -22.773 -8.331 -1.079) 24.273 2.993 ( -22.773 -8.331 1.079) 24.273 3.499 ( -20.433 6.550 -5.297) 22.101 3.499 ( -20.433 6.550 5.297) 22.101 4.062 ( -8.694 7.789 -9.928) 15.324 4.062 ( -8.694 7.789 9.928) 15.324 4.501 ( -16.994 2.756 -1.214) 17.259 4.501 ( -16.994 2.756 1.214) 17.259 4.998 ( 0.650 -13.625 -6.955) 15.311 4.998 ( 0.650 -13.625 6.955) 15.311 6.011 ( 5.745 2.038 -2.297) 6.514 6.011 ( 5.745 2.038 2.297) 6.514 6.606 ( -3.036 -5.400 -3.405) 7.069 6.606 ( -3.036 -5.400 3.405) 7.069 6.939 ( 10.613 -12.133 -1.061) 16.155 6.939 ( 10.613 -12.133 1.061) 16.155 7.648 ( -15.337 0.538 -3.598) 15.763 7.648 ( -15.337 0.538 3.598) 15.763 7.894 ( 1.660 0.601 -8.407) 8.590 7.894 ( 1.660 0.601 8.407) 8.590 8.267 ( -10.389 -4.563 -6.848) 13.253 8.267 ( -10.389 -4.563 6.848) 13.253 8.752 ( 3.287 6.004 -5.621) 8.857 8.752 ( 3.287 6.004 5.621) 8.857 9.068 ( -6.373 -1.537 -7.805) 10.193 9.068 ( -6.373 -1.537 7.805) 10.193 9.644 ( 3.353 -0.609 -5.226) 6.239 9.644 ( 3.353 -0.609 5.226) 6.239 11.791 ( 33.782 1.584 -6.690) 34.475 11.791 ( 33.782 1.584 6.690) 34.475 13.547 ( 11.919 -3.371 -4.924) 13.329 13.547 ( 11.919 -3.371 4.924) 13.329 14.965 ( 10.014 -2.050 -7.182) 12.493 14.965 ( 10.014 -2.050 7.182) 12.493======================= Grid point 514 (153/171) =======================q-point: (-0.36 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( -6.351 5.575 -7.423) 11.248 1.350 ( -6.351 5.575 7.423) 11.248 1.982 ( -21.990 8.537 -5.981) 24.336 1.982 ( -21.990 8.537 5.981) 24.336 2.179 ( -9.467 1.614 -3.833) 10.340 2.179 ( -9.467 1.614 3.833) 10.340 2.498 ( -17.026 -4.693 -3.047) 17.921 2.498 ( -17.026 -4.693 3.047) 17.921 2.689 ( -5.658 -18.818 -10.058) 22.075 2.689 ( -5.658 -18.818 10.058) 22.075 3.079 ( -16.074 8.989 -8.572) 20.314 3.079 ( -16.074 8.989 8.572) 20.314 3.566 ( -26.282 16.528 -10.123) 32.656 3.566 ( -26.282 16.528 10.123) 32.656 4.385 ( 1.110 0.957 -7.065) 7.215 4.385 ( 1.110 0.957 7.065) 7.215 5.167 ( 4.772 -19.052 -8.311) 21.326 5.167 ( 4.772 -19.052 8.311) 21.326 6.074 ( 1.953 2.870 -3.457) 4.899 6.074 ( 1.953 2.870 3.457) 4.899 6.522 ( -7.395 0.084 -4.291) 8.550 6.522 ( -7.395 0.084 4.291) 8.550 7.165 ( 1.792 -5.969 -1.426) 6.394 7.165 ( 1.792 -5.969 1.426) 6.394 7.346 ( -11.231 -5.350 -3.038) 12.806 7.346 ( -11.231 -5.350 3.038) 12.806 7.944 ( 0.273 1.941 -5.285) 5.637 7.944 ( 0.273 1.941 5.285) 5.637 8.123 ( -5.042 -9.903 -4.056) 11.830 8.123 ( -5.042 -9.903 4.056) 11.830 8.676 ( -4.415 6.117 -1.837) 7.764 8.676 ( -4.415 6.117 1.837) 7.764 9.047 ( 1.493 -0.236 -7.460) 7.611 9.047 ( 1.493 -0.236 7.460) 7.611 9.699 ( 2.033 1.361 -9.969) 10.265 9.699 ( 2.033 1.361 9.969) 10.265 12.375 ( 26.093 4.535 -7.367) 27.490 12.375 ( 26.093 4.535 7.367) 27.490 13.790 ( 9.947 -3.965 -2.657) 11.033 13.790 ( 9.947 -3.965 2.657) 11.033 15.189 ( 10.920 -1.844 -5.180) 12.226 15.189 ( 10.920 -1.844 5.180) 12.226======================= Grid point 516 (154/171) =======================q-point: (-0.29 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( -1.756 6.119 -11.747) 13.362 1.230 ( -1.756 6.119 11.747) 13.362 1.372 ( -30.753 6.503 -4.524) 31.757 1.372 ( -30.753 6.503 4.524) 31.757 1.963 ( -12.695 -1.697 -1.446) 12.889 1.963 ( -12.695 -1.697 1.446) 12.889 2.248 ( -4.432 2.759 -11.377) 12.517 2.248 ( -4.432 2.759 11.377) 12.517 2.668 ( -13.652 -0.070 -1.996) 13.798 2.668 ( -13.652 -0.070 1.996) 13.798 2.832 ( -4.790 -14.191 -11.995) 19.189 2.832 ( -4.790 -14.191 11.995) 19.189 3.060 ( -9.393 19.725 -19.703) 29.420 3.060 ( -9.393 19.725 19.703) 29.420 4.414 ( 1.825 1.768 -9.460) 9.795 4.414 ( 1.825 1.768 9.460) 9.795 5.380 ( 4.715 -19.585 -8.847) 22.002 5.380 ( 4.715 -19.585 8.847) 22.002 6.004 ( -8.738 4.839 -2.876) 10.394 6.004 ( -8.738 4.839 2.876) 10.394 6.364 ( -4.243 3.135 -1.930) 5.617 6.364 ( -4.243 3.135 1.930) 5.617 6.979 ( -11.183 -0.184 -1.602) 11.299 6.979 ( -11.183 -0.184 1.602) 11.299 7.437 ( 7.640 -3.059 -7.813) 11.348 7.437 ( 7.640 -3.059 7.813) 11.348 7.871 ( -3.270 -1.975 -5.172) 6.430 7.871 ( -3.270 -1.975 5.172) 6.430 8.119 ( -7.113 -12.353 -1.243) 14.309 8.119 ( -7.113 -12.353 1.243) 14.309 8.641 ( 5.024 5.438 -1.065) 7.480 8.641 ( 5.024 5.438 1.065) 7.480 9.047 ( -1.346 1.904 -12.879) 13.088 9.047 ( -1.346 1.904 12.879) 13.088 9.703 ( -0.031 3.610 -13.343) 13.823 9.703 ( -0.031 3.610 13.343) 13.823 12.741 ( 13.866 6.742 -6.985) 16.926 12.741 ( 13.866 6.742 6.985) 16.926 13.973 ( 5.739 -4.376 -2.451) 7.622 13.973 ( 5.739 -4.376 2.451) 7.622 15.394 ( 7.865 -1.909 -5.017) 9.523 15.394 ( 7.865 -1.909 5.017) 9.523======================= Grid point 518 (155/171) =======================q-point: (-0.21 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 161Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( -0.000 10.718 -5.467) 12.031 0.927 ( -0.000 10.718 5.467) 12.031 1.194 ( -0.000 5.089 -15.853) 16.650 1.194 ( -0.000 5.089 15.853) 16.650 1.828 ( 0.000 -3.652 -2.754) 4.574 1.828 ( 0.000 -3.652 2.754) 4.574 2.229 ( -0.000 4.543 -13.106) 13.871 2.229 ( -0.000 4.543 13.106) 13.871 2.428 ( -0.000 2.826 -2.403) 3.710 2.428 ( -0.000 2.826 2.403) 3.710 2.776 ( -0.000 15.687 -24.219) 28.855 2.776 ( -0.000 15.687 24.219) 28.855 3.018 ( 0.000 -17.023 -11.725) 20.670 3.018 ( 0.000 -17.023 11.725) 20.670 4.421 ( -0.000 2.545 -10.120) 10.435 4.421 ( -0.000 2.545 10.120) 10.435 5.571 ( 0.000 -20.837 -9.664) 22.969 5.571 ( 0.000 -20.837 9.664) 22.969 5.789 ( -0.000 11.290 -1.670) 11.413 5.789 ( -0.000 11.290 1.670) 11.413 6.314 ( -0.000 7.268 -3.276) 7.973 6.314 ( -0.000 7.268 3.276) 7.973 6.866 ( 0.000 -1.877 -2.586) 3.196 6.866 ( 0.000 -1.877 2.586) 3.196 7.500 ( -0.000 11.308 -10.998) 15.774 7.500 ( -0.000 11.308 10.998) 15.774 7.923 ( 0.000 -12.850 -2.776) 13.147 7.923 ( 0.000 -12.850 2.776) 13.147 8.056 ( 0.000 -13.093 -5.877) 14.351 8.056 ( 0.000 -13.093 5.877) 14.351 8.693 ( -0.000 5.294 -2.424) 5.822 8.693 ( -0.000 5.294 2.424) 5.822 9.006 ( -0.000 2.002 -13.908) 14.051 9.006 ( -0.000 2.002 13.908) 14.051 9.671 ( -0.000 4.954 -14.437) 15.263 9.671 ( -0.000 4.954 14.437) 15.263 12.835 ( -0.000 7.610 -6.980) 10.326 12.835 ( -0.000 7.610 6.980) 10.326 14.059 ( 0.000 -4.692 -4.541) 6.529 14.059 ( 0.000 -4.692 4.541) 6.529 15.491 ( 0.000 -2.344 -6.247) 6.672 15.491 ( 0.000 -2.344 6.247) 6.672======================= Grid point 532 (156/171) =======================q-point: (-0.71 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( -0.473 -0.000 -11.104) 11.114 1.813 ( -0.473 -0.000 11.104) 11.114 2.081 ( 1.172 0.000 -9.408) 9.480 2.081 ( 1.172 0.000 9.408) 9.480 2.716 ( -2.422 -0.000 -0.864) 2.571 2.716 ( -2.422 -0.000 0.864) 2.571 3.192 ( 3.418 0.000 -7.865) 8.576 3.192 ( 3.418 0.000 7.865) 8.576 3.344 ( -11.749 -0.000 -0.272) 11.752 3.344 ( -11.749 -0.000 0.272) 11.752 3.990 ( -0.629 -0.000 -7.545) 7.571 3.990 ( -0.629 -0.000 7.545) 7.571 4.503 ( -8.297 -0.000 -0.741) 8.330 4.503 ( -8.297 -0.000 0.741) 8.330 5.142 ( -6.183 -0.000 -2.138) 6.542 5.142 ( -6.183 -0.000 2.138) 6.542 5.490 ( 2.526 0.000 -1.739) 3.067 5.490 ( 2.526 0.000 1.739) 3.067 5.768 ( 1.427 0.000 -0.582) 1.541 5.768 ( 1.427 0.000 0.582) 1.541 6.563 ( -9.611 -0.000 -0.108) 9.611 6.563 ( -9.611 -0.000 0.108) 9.611 6.716 ( -9.964 -0.000 -3.646) 10.611 6.716 ( -9.964 -0.000 3.646) 10.611 7.934 ( -0.294 -0.000 -3.341) 3.354 7.934 ( -0.294 -0.000 3.341) 3.354 8.259 ( 0.872 0.000 -3.189) 3.306 8.259 ( 0.872 0.000 3.190) 3.306 8.378 ( -1.582 -0.000 -2.738) 3.162 8.378 ( -1.582 -0.000 2.738) 3.162 8.835 ( -2.849 -0.000 -3.436) 4.464 8.835 ( -2.849 -0.000 3.436) 4.464 9.254 ( 4.332 0.000 -2.112) 4.819 9.254 ( 4.332 0.000 2.112) 4.819 9.763 ( -7.150 -0.000 -3.800) 8.097 9.763 ( -7.150 -0.000 3.800) 8.097 9.856 ( 16.005 0.000 -1.368) 16.063 9.856 ( 16.005 0.000 1.368) 16.063 12.970 ( 4.426 0.000 -9.059) 10.083 12.970 ( 4.426 0.000 9.059) 10.083 14.571 ( 2.294 0.000 -11.095) 11.330 14.571 ( 2.294 0.000 11.095) 11.330======================= Grid point 536 (157/171) =======================q-point: (-0.64 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( -1.619 3.854 -6.975) 8.132 1.780 ( -1.619 3.854 6.975) 8.132 2.124 ( 1.409 -5.136 -7.795) 9.440 2.124 ( 1.409 -5.136 7.795) 9.440 2.636 ( -5.323 1.637 -1.589) 5.791 2.636 ( -5.323 1.637 1.589) 5.791 3.104 ( -8.183 7.546 -5.986) 12.639 3.104 ( -8.183 7.546 5.986) 12.639 3.259 ( -1.597 -8.812 -6.903) 11.308 3.259 ( -1.597 -8.812 6.903) 11.308 3.977 ( -1.436 0.125 -8.033) 8.161 3.977 ( -1.436 0.125 8.033) 8.161 4.296 ( -11.689 -0.956 -1.261) 11.795 4.296 ( -11.689 -0.956 1.261) 11.795 4.977 ( -10.046 -0.141 -5.385) 11.400 4.977 ( -10.046 -0.141 5.385) 11.400 5.500 ( -4.847 0.451 -1.610) 5.127 5.500 ( -4.847 0.451 1.610) 5.127 5.759 ( 0.140 0.020 -1.200) 1.208 5.759 ( 0.140 0.020 1.200) 1.208 6.394 ( -3.977 -0.439 -0.520) 4.035 6.394 ( -3.977 -0.439 0.520) 4.035 6.645 ( -1.742 -4.605 -3.848) 6.249 6.645 ( -1.742 -4.605 3.848) 6.249 7.945 ( 1.303 0.622 -8.316) 8.440 7.945 ( 1.303 0.622 8.316) 8.440 8.114 ( -10.204 0.583 -0.639) 10.240 8.114 ( -10.204 0.583 0.639) 10.240 8.442 ( 2.673 -0.091 -1.313) 2.979 8.442 ( 2.673 -0.091 1.313) 2.979 8.767 ( -3.436 0.314 -4.553) 5.713 8.767 ( -3.436 0.314 4.553) 5.713 9.240 ( -2.883 0.727 -4.377) 5.292 9.240 ( -2.883 0.727 4.377) 5.292 9.636 ( -4.257 1.419 -3.395) 5.627 9.636 ( -4.257 1.419 3.395) 5.627 10.371 ( 31.723 -3.158 -0.284) 31.881 10.371 ( 31.723 -3.158 0.284) 31.881 13.090 ( 7.836 0.323 -8.772) 11.767 13.090 ( 7.836 0.323 8.772) 11.767 14.645 ( 4.769 -0.639 -10.198) 11.276 14.645 ( 4.769 -0.639 10.198) 11.276======================= Grid point 538 (158/171) =======================q-point: (-0.57 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 296Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( -3.221 5.618 -3.606) 7.412 1.705 ( -3.221 5.618 3.606) 7.412 2.190 ( 0.892 -9.103 -6.256) 11.081 2.190 ( 0.892 -9.103 6.256) 11.081 2.496 ( -6.824 2.675 -2.295) 7.681 2.496 ( -6.824 2.675 2.295) 7.681 2.894 ( -9.174 8.497 -8.281) 14.998 2.894 ( -9.174 8.497 8.281) 14.998 3.201 ( -11.188 -8.435 -3.742) 14.502 3.201 ( -11.188 -8.435 3.742) 14.502 3.870 ( -11.160 -1.025 -2.968) 11.594 3.870 ( -11.160 -1.025 2.968) 11.594 4.146 ( -1.451 1.293 -7.382) 7.633 4.146 ( -1.451 1.293 7.382) 7.633 4.777 ( -10.452 -3.192 -7.310) 13.148 4.777 ( -10.452 -3.192 7.310) 13.148 5.194 ( -21.998 3.372 -0.163) 22.256 5.194 ( -21.998 3.372 0.163) 22.256 5.863 ( 8.623 -1.317 -1.111) 8.793 5.863 ( 8.623 -1.317 1.111) 8.793 6.437 ( 4.102 -6.278 -0.104) 7.500 6.437 ( 4.102 -6.278 0.104) 7.500 6.669 ( 2.241 -4.087 -2.589) 5.332 6.669 ( 2.241 -4.087 2.589) 5.332 7.896 ( -9.618 -0.079 -3.848) 10.359 7.896 ( -9.618 -0.079 3.848) 10.359 7.955 ( -2.188 2.493 -11.810) 12.268 7.955 ( -2.188 2.493 11.810) 12.268 8.401 ( -7.315 -1.164 -2.528) 7.827 8.401 ( -7.315 -1.164 2.528) 7.827 8.737 ( 2.437 2.259 -2.122) 3.943 8.737 ( 2.437 2.259 2.122) 3.943 9.180 ( -4.473 -1.144 -5.437) 7.133 9.180 ( -4.473 -1.144 5.437) 7.133 9.586 ( 0.315 0.297 -2.347) 2.387 9.586 ( 0.315 0.297 2.347) 2.387 11.078 ( 37.003 -1.487 -2.519) 37.118 11.078 ( 37.003 -1.487 2.519) 37.118 13.276 ( 10.516 -1.194 -6.792) 12.576 13.276 ( 10.516 -1.194 6.792) 12.576 14.767 ( 7.185 -0.908 -8.523) 11.185 14.767 ( 7.185 -0.908 8.523) 11.185======================= Grid point 540 (159/171) =======================q-point: (-0.50 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( -5.300 6.510 -2.947) 8.897 1.584 ( -5.300 6.510 2.947) 8.897 2.256 ( -0.908 -10.017 -5.492) 11.460 2.256 ( -0.908 -10.017 5.492) 11.460 2.362 ( -4.085 4.015 -2.502) 6.251 2.362 ( -4.085 4.015 2.502) 6.251 2.599 ( -17.187 3.591 -6.795) 18.827 2.599 ( -17.187 3.591 6.795) 18.827 2.904 ( -22.059 -6.452 -1.121) 23.011 2.904 ( -22.059 -6.452 1.121) 23.011 3.575 ( -16.352 5.741 -3.285) 17.639 3.575 ( -16.352 5.741 3.285) 17.639 4.141 ( -2.349 5.216 -10.733) 12.162 4.141 ( -2.349 5.216 10.733) 12.162 4.530 ( -17.002 2.187 -3.472) 17.490 4.530 ( -17.002 2.187 3.472) 17.490 4.846 ( -7.763 -11.395 -4.960) 14.653 4.846 ( -7.763 -11.395 4.960) 14.653 6.032 ( 6.965 1.536 -1.659) 7.323 6.032 ( 6.965 1.536 1.659) 7.323 6.550 ( 2.711 -3.960 -2.289) 5.317 6.550 ( 2.711 -3.960 2.289) 5.317 6.807 ( 7.632 -9.314 -1.323) 12.114 6.807 ( 7.632 -9.314 1.323) 12.114 7.652 ( -15.263 0.147 -5.773) 16.319 7.652 ( -15.263 0.147 5.773) 16.319 7.915 ( 1.064 2.691 -10.011) 10.421 7.915 ( 1.064 2.691 10.011) 10.421 8.211 ( -12.246 -4.463 -4.610) 13.825 8.211 ( -12.246 -4.463 4.610) 13.825 8.815 ( 4.586 4.260 -5.108) 8.079 8.815 ( 4.586 4.260 5.108) 8.079 9.052 ( -7.098 -1.208 -6.682) 9.823 9.052 ( -7.098 -1.208 6.683) 9.823 9.641 ( 4.243 0.017 -4.604) 6.261 9.641 ( 4.243 0.017 4.604) 6.261 11.807 ( 35.394 1.004 -5.057) 35.768 11.807 ( 35.394 1.004 5.057) 35.768 13.509 ( 11.482 -2.777 -4.066) 12.493 13.509 ( 11.482 -2.777 4.066) 12.493 14.945 ( 10.083 -1.333 -6.157) 11.889 14.945 ( 10.083 -1.333 6.157) 11.889======================= Grid point 542 (160/171) =======================q-point: (-0.43 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 296Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( -5.267 7.645 -4.624) 10.371 1.430 ( -5.267 7.645 4.624) 10.371 2.067 ( -26.628 5.535 -3.600) 27.434 2.067 ( -26.628 5.535 3.600) 27.434 2.207 ( -7.023 2.304 -1.536) 7.549 2.207 ( -7.023 2.304 1.536) 7.549 2.414 ( -4.233 -11.555 -5.076) 13.311 2.414 ( -4.233 -11.555 5.076) 13.311 2.499 ( -16.990 -9.223 -4.906) 19.945 2.499 ( -16.990 -9.223 4.906) 19.945 3.176 ( -19.905 6.777 -4.411) 21.485 3.176 ( -19.905 6.777 4.411) 21.485 3.785 ( -19.195 19.869 -11.354) 29.868 3.785 ( -19.195 19.869 11.354) 29.868 4.392 ( 1.138 0.248 -6.916) 7.013 4.392 ( 1.138 0.248 6.916) 7.013 4.921 ( 1.852 -21.761 -7.340) 23.040 4.921 ( 1.852 -21.761 7.340) 23.040 6.109 ( 2.602 2.890 -2.842) 4.816 6.109 ( 2.602 2.890 2.842) 4.816 6.531 ( -5.696 1.794 -2.914) 6.645 6.531 ( -5.696 1.794 2.914) 6.645 7.060 ( 10.208 -10.826 -0.840) 14.903 7.060 ( 10.208 -10.826 0.840) 14.903 7.311 ( -17.583 -1.102 -3.405) 17.944 7.311 ( -17.583 -1.102 3.405) 17.944 7.954 ( -2.020 -1.563 -2.488) 3.565 7.954 ( -2.020 -1.563 2.488) 3.565 8.028 ( -4.501 -4.422 -7.514) 9.812 8.028 ( -4.501 -4.422 7.514) 9.812 8.746 ( -5.068 5.362 -1.028) 7.449 8.746 ( -5.068 5.362 1.028) 7.449 9.043 ( 3.128 -0.385 -6.136) 6.898 9.043 ( 3.128 -0.385 6.136) 6.898 9.716 ( 3.175 1.359 -9.089) 9.723 9.716 ( 3.175 1.359 9.089) 9.723 12.424 ( 27.305 3.484 -6.047) 28.183 12.424 ( 27.305 3.484 6.047) 28.183 13.744 ( 9.854 -3.492 -2.531) 10.757 13.744 ( 9.854 -3.492 2.531) 10.757 15.168 ( 11.018 -1.603 -3.934) 11.809 15.168 ( 11.018 -1.603 3.934) 11.809======================= Grid point 544 (161/171) =======================q-point: (-0.36 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( -1.788 7.462 -6.085) 9.794 1.312 ( -1.788 7.462 6.085) 9.794 1.449 ( -28.645 6.279 -1.705) 29.375 1.449 ( -28.645 6.279 1.705) 29.375 1.942 ( -15.436 -1.786 -3.868) 16.013 1.942 ( -15.436 -1.786 3.868) 16.013 2.283 ( -1.955 2.714 -7.593) 8.298 2.283 ( -1.955 2.714 7.593) 8.298 2.544 ( -0.371 -18.651 -8.792) 20.623 2.544 ( -0.371 -18.651 8.792) 20.623 2.739 ( -19.422 0.061 -0.611) 19.431 2.739 ( -19.422 0.061 0.611) 19.431 3.365 ( -7.739 28.173 -18.378) 34.516 3.365 ( -7.739 28.173 18.378) 34.516 4.429 ( 1.910 0.625 -9.380) 9.593 4.429 ( 1.910 0.625 9.380) 9.593 5.114 ( 2.768 -24.465 -8.080) 25.913 5.114 ( 2.768 -24.465 8.080) 25.913 6.082 ( -4.043 7.381 -2.447) 8.764 6.082 ( -4.043 7.381 2.447) 8.764 6.377 ( -5.313 -0.396 -2.031) 5.701 6.377 ( -5.313 -0.396 2.031) 5.701 6.973 ( -12.647 -0.808 -0.751) 12.695 6.973 ( -12.647 -0.808 0.751) 12.695 7.372 ( 12.459 -6.948 -3.540) 14.698 7.372 ( 12.459 -6.948 3.540) 14.698 7.834 ( -7.607 -5.816 -5.690) 11.139 7.834 ( -7.607 -5.816 5.690) 11.139 8.023 ( -4.240 -2.552 -2.733) 5.653 8.023 ( -4.240 -2.552 2.733) 5.653 8.701 ( 3.895 4.494 -1.893) 6.241 8.701 ( 3.895 4.494 1.893) 6.241 9.071 ( -0.304 2.060 -12.123) 12.301 9.071 ( -0.304 2.060 12.123) 12.301 9.743 ( 0.939 2.995 -12.355) 12.748 9.743 ( 0.939 2.995 12.355) 12.748 12.816 ( 14.557 5.582 -5.898) 16.669 12.816 ( 14.557 5.582 5.898) 16.669 13.923 ( 5.663 -3.847 -1.653) 7.043 13.923 ( 5.663 -3.847 1.653) 7.043 15.371 ( 7.635 -1.858 -3.668) 8.672 15.371 ( 7.635 -1.858 3.668) 8.672======================= Grid point 546 (162/171) =======================q-point: (-0.29 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( -0.000 9.317 -2.804) 9.730 1.048 ( -0.000 9.317 2.804) 9.730 1.268 ( -0.000 7.184 -8.621) 11.222 1.268 ( -0.000 7.184 8.621) 11.222 1.784 ( 0.000 -3.555 -3.576) 5.043 1.784 ( 0.000 -3.555 3.576) 5.043 2.272 ( -0.000 3.075 -12.039) 12.426 2.272 ( -0.000 3.075 12.039) 12.426 2.461 ( -0.000 2.539 -2.917) 3.868 2.461 ( -0.000 2.539 2.917) 3.868 2.697 ( 0.000 -20.905 -11.887) 24.048 2.697 ( 0.000 -20.905 11.887) 24.048 3.129 ( -0.000 26.925 -22.590) 35.146 3.129 ( -0.000 26.925 22.590) 35.146 4.444 ( -0.000 1.228 -10.029) 10.104 4.444 ( -0.000 1.228 10.029) 10.104 5.297 ( 0.000 -24.820 -8.910) 26.371 5.297 ( 0.000 -24.820 8.910) 26.371 5.933 ( -0.000 12.452 -1.332) 12.523 5.933 ( -0.000 12.452 1.332) 12.523 6.355 ( 0.000 -0.247 -3.927) 3.935 6.355 ( 0.000 -0.247 3.927) 3.935 6.843 ( 0.000 -1.846 -1.823) 2.595 6.843 ( 0.000 -1.846 1.823) 2.595 7.584 ( -0.000 2.027 -7.761) 8.021 7.584 ( -0.000 2.027 7.761) 8.021 7.771 ( 0.000 -12.482 -2.976) 12.832 7.771 ( 0.000 -12.482 2.976) 12.832 7.952 ( 0.000 -3.126 -6.065) 6.824 7.952 ( 0.000 -3.126 6.065) 6.824 8.748 ( -0.000 3.759 -2.591) 4.566 8.748 ( -0.000 3.759 2.591) 4.566 9.037 ( -0.000 3.042 -15.447) 15.744 9.037 ( -0.000 3.042 15.447) 15.744 9.727 ( -0.000 4.261 -13.764) 14.408 9.727 ( -0.000 4.261 13.764) 14.408 12.923 ( -0.000 6.847 -6.010) 9.110 12.923 ( -0.000 6.847 6.010) 9.110 14.005 ( 0.000 -4.261 -3.073) 5.254 14.005 ( 0.000 -4.261 3.073) 5.254 15.464 ( 0.000 -2.216 -4.878) 5.358 15.464 ( 0.000 -2.216 4.878) 5.358======================= Grid point 564 (163/171) =======================q-point: (-0.64 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 161Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -3.275 -0.000 -3.616) 4.879 1.745 ( -3.275 -0.000 3.616) 4.879 2.129 ( 0.654 0.000 -4.691) 4.737 2.129 ( 0.654 0.000 4.691) 4.737 2.512 ( -6.697 -0.000 -1.716) 6.913 2.512 ( -6.697 -0.000 1.716) 6.913 2.960 ( -10.357 -0.000 -6.790) 12.384 2.960 ( -10.357 -0.000 6.790) 12.384 3.136 ( -9.538 -0.000 -4.806) 10.680 3.136 ( -9.538 -0.000 4.806) 10.680 3.863 ( -10.112 -0.000 -3.093) 10.575 3.863 ( -10.112 -0.000 3.093) 10.575 4.153 ( -1.216 -0.000 -7.495) 7.593 4.153 ( -1.216 -0.000 7.495) 7.593 4.757 ( -11.277 -0.000 -7.310) 13.439 4.757 ( -11.277 -0.000 7.310) 13.439 5.215 ( -22.755 -0.000 -0.451) 22.759 5.215 ( -22.755 -0.000 0.451) 22.759 5.854 ( 9.174 0.000 -0.971) 9.225 5.854 ( 9.174 0.000 0.971) 9.225 6.399 ( 3.552 0.000 -0.139) 3.554 6.399 ( 3.552 0.000 0.139) 3.554 6.645 ( 2.903 0.000 -2.291) 3.698 6.645 ( 2.903 0.000 2.291) 3.698 7.896 ( -10.041 -0.000 -4.324) 10.933 7.896 ( -10.041 -0.000 4.324) 10.933 7.971 ( -1.644 -0.000 -13.183) 13.286 7.971 ( -1.644 -0.000 13.183) 13.286 8.393 ( -8.060 -0.000 -1.177) 8.145 8.393 ( -8.060 -0.000 1.177) 8.145 8.750 ( 2.642 0.000 -0.753) 2.747 8.750 ( 2.642 0.000 0.753) 2.747 9.173 ( -4.374 -0.000 -5.420) 6.965 9.173 ( -4.373 -0.000 5.420) 6.965 9.589 ( -0.056 -0.000 -1.327) 1.328 9.589 ( -0.056 -0.000 1.327) 1.328 11.068 ( 37.905 0.000 -1.121) 37.922 11.068 ( 37.905 0.000 1.121) 37.922 13.268 ( 10.082 0.000 -6.371) 11.927 13.268 ( 10.082 0.000 6.371) 11.927 14.761 ( 7.222 0.000 -8.282) 10.989 14.761 ( 7.222 0.000 8.282) 10.989======================= Grid point 568 (164/171) =======================q-point: (-0.57 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( -4.872 3.744 -2.640) 6.688 1.651 ( -4.872 3.744 2.640) 6.688 2.149 ( -0.314 -5.750 -3.313) 6.644 2.149 ( -0.314 -5.750 3.313) 6.644 2.399 ( -4.007 1.649 -2.054) 4.795 2.399 ( -4.007 1.649 2.054) 4.795 2.645 ( -20.834 2.749 -3.995) 21.391 2.645 ( -20.834 2.749 3.995) 21.391 2.845 ( -20.500 -2.991 -1.295) 20.758 2.845 ( -20.500 -2.991 1.295) 20.758 3.626 ( -13.965 2.393 -1.129) 14.213 3.626 ( -13.965 2.393 1.129) 14.213 4.184 ( 2.548 1.822 -10.921) 11.362 4.184 ( 2.548 1.822 10.921) 11.362 4.552 ( -11.024 1.271 -6.642) 12.933 4.552 ( -11.024 1.271 6.642) 12.933 4.743 ( -19.919 -5.036 -1.685) 20.615 4.743 ( -19.919 -5.036 1.685) 20.615 6.047 ( 8.103 0.714 -0.742) 8.168 6.047 ( 8.103 0.714 0.742) 8.168 6.515 ( 8.075 -1.582 -1.329) 8.335 6.515 ( 8.075 -1.582 1.329) 8.335 6.729 ( 3.427 -3.489 -1.371) 5.079 6.729 ( 3.427 -3.489 1.371) 5.079 7.653 ( -14.858 -0.006 -7.359) 16.581 7.653 ( -14.858 -0.006 7.359) 16.581 7.946 ( 0.607 1.753 -12.227) 12.367 7.946 ( 0.607 1.753 12.227) 12.367 8.169 ( -13.485 -2.202 -1.748) 13.775 8.169 ( -13.485 -2.202 1.748) 13.775 8.850 ( 5.767 1.573 -4.448) 7.450 8.850 ( 5.767 1.573 4.448) 7.450 9.041 ( -7.849 -0.493 -3.109) 8.457 9.041 ( -7.849 -0.493 3.109) 8.457 9.642 ( 4.609 0.095 -4.112) 6.177 9.642 ( 4.609 0.095 4.112) 6.177 11.815 ( 36.360 0.338 -3.132) 36.496 11.815 ( 36.360 0.338 3.132) 36.496 13.485 ( 11.268 -1.081 -2.993) 11.709 13.485 ( 11.268 -1.081 2.993) 11.709 14.934 ( 10.066 -0.455 -5.466) 11.463 14.934 ( 10.066 -0.455 5.466) 11.463======================= Grid point 570 (165/171) =======================q-point: (-0.50 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( -4.562 6.883 -4.535) 9.421 1.522 ( -4.562 6.883 4.535) 9.421 2.115 ( -27.728 2.561 -1.138) 27.870 2.115 ( -27.728 2.561 1.138) 27.870 2.182 ( -3.950 -7.735 -5.942) 10.524 2.182 ( -3.950 -7.735 5.942) 10.524 2.314 ( -7.965 -1.184 -3.291) 8.699 2.314 ( -7.965 -1.184 3.291) 8.699 2.439 ( -16.167 -3.057 -2.941) 16.714 2.439 ( -16.167 -3.057 2.941) 16.714 3.238 ( -23.162 3.480 -1.642) 23.480 3.238 ( -23.162 3.480 1.642) 23.480 4.033 ( -11.011 20.980 -10.996) 26.121 4.033 ( -11.011 20.980 10.996) 26.121 4.393 ( 0.694 -0.198 -6.809) 6.847 4.393 ( 0.694 -0.198 6.809) 6.847 4.657 ( -2.208 -21.842 -6.112) 22.789 4.657 ( -2.208 -21.842 6.112) 22.789 6.138 ( 2.844 1.732 -2.582) 4.214 6.138 ( 2.844 1.732 2.582) 4.214 6.567 ( -5.254 3.990 -2.436) 7.032 6.567 ( -5.254 3.990 2.436) 7.032 6.929 ( 13.894 -9.979 -1.011) 17.136 6.929 ( 13.894 -9.979 1.011) 17.136 7.307 ( -19.052 -0.028 -4.740) 19.633 7.307 ( -19.052 -0.028 4.740) 19.633 7.910 ( -9.803 -3.787 -2.968) 10.920 7.910 ( -9.803 -3.787 2.968) 10.920 8.018 ( 2.293 0.707 -10.818) 11.081 8.018 ( 2.293 0.707 10.818) 11.081 8.799 ( -5.818 3.239 -0.889) 6.718 8.799 ( -5.818 3.239 0.889) 6.718 9.038 ( 4.563 -0.393 -4.629) 6.512 9.038 ( 4.563 -0.393 4.629) 6.512 9.729 ( 3.788 0.830 -8.277) 9.140 9.729 ( 3.788 0.830 8.277) 9.140 12.456 ( 28.072 1.889 -4.348) 28.469 12.456 ( 28.072 1.889 4.348) 28.469 13.710 ( 9.956 -2.063 -1.561) 10.287 13.710 ( 9.956 -2.063 1.561) 10.287 15.153 ( 11.028 -0.924 -2.759) 11.406 15.153 ( 11.028 -0.924 2.759) 11.406======================= Grid point 572 (166/171) =======================q-point: (-0.43 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.402 ( -4.362 7.185 -5.067) 9.815 1.402 ( -4.362 7.185 5.068) 9.815 1.519 ( -24.575 5.436 -1.287) 25.202 1.519 ( -24.575 5.436 1.287) 25.202 1.921 ( -17.151 -1.670 -5.458) 18.076 1.921 ( -17.151 -1.670 5.458) 18.076 2.270 ( -1.021 -9.850 -5.600) 11.377 2.270 ( -1.021 -9.850 5.600) 11.377 2.367 ( 0.353 -4.714 -0.995) 4.831 2.367 ( 0.353 -4.714 0.995) 4.831 2.751 ( -21.522 1.151 -1.365) 21.595 2.751 ( -21.522 1.151 1.365) 21.595 3.712 ( -5.092 29.444 -13.537) 32.804 3.712 ( -5.092 29.444 13.537) 32.804 4.431 ( 1.777 -0.178 -9.342) 9.511 4.431 ( 1.777 -0.178 9.342) 9.511 4.805 ( 1.032 -26.895 -6.242) 27.629 4.805 ( 1.032 -26.895 6.242) 27.629 6.159 ( 0.308 4.692 -3.284) 5.735 6.159 ( 0.308 4.692 3.284) 5.735 6.373 ( -8.963 0.444 -2.809) 9.403 6.373 ( -8.963 0.444 2.809) 9.403 6.963 ( -13.599 -0.777 -0.655) 13.637 6.963 ( -13.599 -0.777 0.655) 13.637 7.286 ( 15.069 -6.767 -1.373) 16.575 7.286 ( 15.069 -6.767 1.373) 16.575 7.751 ( -8.891 -6.536 -4.427) 11.890 7.751 ( -8.891 -6.536 4.427) 11.890 8.031 ( -1.954 2.127 -5.747) 6.432 8.031 ( -1.954 2.127 5.747) 6.432 8.747 ( 2.629 3.041 -2.487) 4.727 8.747 ( 2.629 3.041 2.487) 4.727 9.094 ( 0.922 1.669 -9.362) 9.554 9.094 ( 0.922 1.669 9.362) 9.554 9.772 ( 1.433 1.893 -11.130) 11.381 9.772 ( 1.433 1.893 11.130) 11.381 12.872 ( 15.026 3.649 -4.438) 16.087 12.872 ( 15.026 3.649 4.438) 16.087 13.884 ( 5.772 -2.634 -1.041) 6.430 13.884 ( 5.772 -2.634 1.041) 6.430 15.351 ( 7.521 -1.371 -2.150) 7.942 15.351 ( 7.521 -1.371 2.150) 7.942======================= Grid point 574 (167/171) =======================q-point: (-0.36 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 161Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -0.000 6.851 -0.698) 6.886 1.145 ( -0.000 6.851 0.698) 6.886 1.363 ( -0.000 8.667 -7.004) 11.143 1.363 ( -0.000 8.667 7.004) 11.143 1.745 ( 0.000 -2.913 -4.860) 5.666 1.745 ( 0.000 -2.913 4.860) 5.666 2.296 ( 0.000 -0.745 -3.320) 3.402 2.296 ( 0.000 -0.745 3.320) 3.402 2.457 ( 0.000 -16.666 -7.594) 18.314 2.457 ( 0.000 -16.666 7.594) 18.314 2.487 ( -0.000 1.882 -3.288) 3.788 2.487 ( -0.000 1.882 3.288) 3.788 3.481 ( -0.000 30.919 -17.165) 35.364 3.481 ( -0.000 30.919 17.165) 35.364 4.451 ( 0.000 -0.016 -9.862) 9.862 4.451 ( 0.000 -0.016 9.862) 9.862 4.983 ( 0.000 -27.474 -7.230) 28.410 4.983 ( 0.000 -27.474 7.230) 28.410 6.077 ( -0.000 11.222 -0.990) 11.266 6.077 ( -0.000 11.222 0.990) 11.266 6.321 ( 0.000 -4.488 -5.656) 7.220 6.321 ( 0.000 -4.488 5.656) 7.220 6.824 ( 0.000 -1.371 -1.072) 1.740 6.824 ( 0.000 -1.371 1.072) 1.740 7.566 ( 0.000 -3.420 -5.362) 6.360 7.566 ( 0.000 -3.420 5.362) 6.360 7.631 ( 0.000 -10.674 -3.058) 11.104 7.631 ( 0.000 -10.674 3.058) 11.104 7.967 ( -0.000 3.816 -3.771) 5.366 7.967 ( -0.000 3.816 3.771) 5.366 8.784 ( -0.000 2.347 -2.777) 3.636 8.784 ( -0.000 2.347 2.777) 3.636 9.075 ( -0.000 3.270 -13.991) 14.368 9.075 ( -0.000 3.270 13.991) 14.368 9.770 ( -0.000 2.909 -12.585) 12.916 9.770 ( -0.000 2.909 12.585) 12.916 12.995 ( -0.000 5.076 -4.720) 6.931 12.995 ( -0.000 5.076 4.720) 6.931 13.959 ( 0.000 -3.209 -1.534) 3.557 13.959 ( 0.000 -3.209 1.534) 3.557 15.440 ( 0.000 -1.804 -3.261) 3.727 15.440 ( 0.000 -1.804 3.261) 3.727======================= Grid point 596 (168/171) =======================q-point: (-0.57 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( -4.247 -0.000 -2.678) 5.021 1.569 ( -4.247 -0.000 2.678) 5.021 2.114 ( -4.937 -0.000 -1.998) 5.326 2.114 ( -4.937 -0.000 1.998) 5.326 2.136 ( -26.171 -0.000 -0.139) 26.171 2.136 ( -26.171 -0.000 0.139) 26.171 2.319 ( -11.690 -0.000 -4.154) 12.406 2.319 ( -11.690 -0.000 4.154) 12.406 2.419 ( -13.477 -0.000 -3.552) 13.937 2.419 ( -13.477 -0.000 3.552) 13.937 3.258 ( -24.398 -0.000 -0.522) 24.403 3.258 ( -24.398 -0.000 0.522) 24.403 4.219 ( -2.488 -0.000 -14.036) 14.255 4.219 ( -2.488 -0.000 14.036) 14.255 4.383 ( -4.311 -0.000 -4.898) 6.525 4.383 ( -4.311 -0.000 4.898) 6.525 4.473 ( -4.323 -0.000 -3.442) 5.526 4.473 ( -4.323 -0.000 3.442) 5.526 6.148 ( 2.682 0.000 -2.606) 3.740 6.148 ( 2.682 0.000 2.606) 3.740 6.601 ( -6.440 -0.000 -2.793) 7.019 6.601 ( -6.440 -0.000 2.793) 7.019 6.858 ( 16.525 0.000 -1.402) 16.584 6.858 ( 16.525 0.000 1.402) 16.584 7.307 ( -19.355 -0.000 -5.303) 20.069 7.307 ( -19.355 -0.000 5.303) 20.069 7.886 ( -11.190 -0.000 -3.006) 11.587 7.886 ( -11.190 -0.000 3.006) 11.587 8.024 ( 3.380 0.000 -11.086) 11.590 8.024 ( 3.380 0.000 11.086) 11.590 8.819 ( -6.219 -0.000 -1.057) 6.308 8.819 ( -6.219 -0.000 1.057) 6.308 9.035 ( 5.219 0.000 -3.822) 6.468 9.035 ( 5.219 0.000 3.822) 6.468 9.734 ( 3.972 0.000 -7.931) 8.870 9.734 ( 3.972 0.000 7.931) 8.870 12.468 ( 28.333 0.000 -3.339) 28.529 12.468 ( 28.333 0.000 3.339) 28.529 13.697 ( 10.026 0.000 -0.030) 10.026 13.697 ( 10.026 0.000 0.030) 10.026 15.147 ( 11.020 0.000 -2.213) 11.240 15.147 ( 11.020 0.000 2.213) 11.240======================= Grid point 600 (169/171) =======================q-point: (-0.50 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( -9.888 3.133 -3.195) 10.853 1.468 ( -9.888 3.133 3.195) 10.853 1.573 ( -18.145 3.012 -3.460) 18.716 1.573 ( -18.145 3.012 3.460) 18.716 1.905 ( -17.773 -0.833 -6.403) 18.910 1.905 ( -17.773 -0.833 6.403) 18.910 2.138 ( -1.027 -7.314 -4.410) 8.602 2.138 ( -1.027 -7.314 4.410) 8.602 2.366 ( 0.231 0.712 -1.846) 1.992 2.366 ( 0.231 0.712 1.846) 1.992 2.761 ( -22.121 0.447 -1.689) 22.189 2.761 ( -22.121 0.447 1.689) 22.189 4.052 ( -2.901 25.508 -10.463) 27.723 4.052 ( -2.901 25.508 10.463) 27.723 4.418 ( 1.367 -4.725 -11.163) 12.198 4.418 ( 1.367 -4.725 11.163) 12.198 4.495 ( -0.319 -20.064 -3.532) 20.375 4.495 ( -0.319 -20.064 3.532) 20.375 6.188 ( 1.881 0.645 -4.655) 5.061 6.188 ( 1.881 0.645 4.655) 5.062 6.389 ( -11.256 1.508 -2.485) 11.625 6.389 ( -11.256 1.508 2.485) 11.625 6.956 ( -13.973 -0.317 -1.063) 14.017 6.956 ( -13.973 -0.317 1.063) 14.017 7.224 ( 16.830 -3.043 -0.483) 17.110 7.224 ( 16.830 -3.043 0.483) 17.110 7.697 ( -8.832 -2.353 -5.113) 10.473 7.697 ( -8.832 -2.353 5.113) 10.473 8.052 ( -1.113 1.029 -7.645) 7.794 8.052 ( -1.113 1.029 7.645) 7.794 8.772 ( 1.786 1.081 -2.643) 3.368 8.772 ( 1.786 1.081 2.643) 3.368 9.108 ( 1.783 0.655 -5.414) 5.738 9.108 ( 1.783 0.655 5.414) 5.738 9.787 ( 1.603 0.634 -10.235) 10.379 9.787 ( 1.603 0.634 10.235) 10.379 12.901 ( 15.258 1.266 -3.006) 15.603 12.901 ( 15.258 1.266 3.006) 15.603 13.862 ( 5.893 -0.936 -0.659) 6.003 13.862 ( 5.893 -0.936 0.659) 6.003 15.340 ( 7.470 -0.508 -0.729) 7.522 15.340 ( 7.470 -0.508 0.729) 7.522======================= Grid point 602 (170/171) =======================q-point: (-0.43 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( -0.000 3.672 -1.227) 3.871 1.209 ( -0.000 3.672 1.227) 3.871 1.465 ( -0.000 7.625 -7.670) 10.815 1.465 ( -0.000 7.625 7.670) 10.815 1.717 ( 0.000 -1.698 -6.097) 6.329 1.717 ( 0.000 -1.698 6.097) 6.329 2.192 ( 0.000 -12.318 -6.929) 14.133 2.192 ( 0.000 -12.318 6.929) 14.133 2.377 ( -0.000 0.028 -1.549) 1.549 2.377 ( -0.000 0.028 1.549) 1.549 2.505 ( -0.000 0.996 -3.508) 3.647 2.505 ( -0.000 0.996 3.508) 3.647 3.852 ( -0.000 30.513 -11.640) 32.658 3.852 ( -0.000 30.513 11.640) 32.658 4.446 ( 0.000 -0.976 -10.316) 10.362 4.446 ( 0.000 -0.976 10.316) 10.362 4.648 ( 0.000 -27.897 -4.143) 28.203 4.648 ( 0.000 -27.897 4.143) 28.203 6.188 ( -0.000 6.933 -0.735) 6.972 6.188 ( -0.000 6.933 0.735) 6.972 6.267 ( 0.000 -3.839 -6.891) 7.888 6.267 ( 0.000 -3.839 6.891) 7.888 6.811 ( 0.000 -0.633 -0.465) 0.786 6.811 ( 0.000 -0.633 0.465) 0.786 7.525 ( 0.000 -6.563 -3.050) 7.237 7.525 ( 0.000 -6.563 3.050) 7.237 7.529 ( 0.000 -2.188 -8.013) 8.306 7.529 ( 0.000 -2.188 8.013) 8.306 8.012 ( -0.000 2.947 -5.706) 6.422 8.012 ( -0.000 2.947 5.706) 6.422 8.804 ( -0.000 1.113 -2.921) 3.126 8.804 ( -0.000 1.113 2.921) 3.126 9.109 ( -0.000 2.167 -9.448) 9.694 9.109 ( -0.000 2.167 9.448) 9.694 9.796 ( -0.000 1.401 -11.404) 11.489 9.796 ( -0.000 1.401 11.404) 11.489 13.042 ( -0.000 2.685 -3.159) 4.146 13.042 ( -0.000 2.685 3.159) 4.146 13.930 ( 0.000 -1.715 -0.456) 1.775 13.930 ( 0.000 -1.715 0.456) 1.775 15.422 ( 0.000 -1.035 -1.861) 2.129 15.422 ( 0.000 -1.035 1.861) 2.129======================= Grid point 630 (171/171) =======================q-point: ( 0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 89Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 0.000 -0.000 -1.855) 1.855 1.231 ( -0.000 0.000 1.855) 1.855 1.518 ( -0.000 0.000 -6.384) 6.384 1.518 ( -0.000 0.000 6.384) 6.384 1.706 ( -0.000 0.000 -6.638) 6.638 1.706 ( -0.000 0.000 6.638) 6.638 2.108 ( -0.000 0.000 -3.065) 3.065 2.108 ( -0.000 0.000 3.065) 3.065 2.381 ( 0.000 -0.000 -3.565) 3.565 2.381 ( -0.000 0.000 3.565) 3.565 2.511 ( -0.000 0.000 -3.581) 3.581 2.511 ( -0.000 0.000 3.581) 3.581 4.130 ( 0.000 -0.000 -10.927) 10.927 4.130 ( -0.000 0.000 10.927) 10.927 4.364 ( -0.000 0.000 -7.167) 7.167 4.364 ( -0.000 0.000 7.167) 7.167 4.461 ( -0.000 0.000 -3.056) 3.056 4.461 ( 0.000 -0.000 3.056) 3.056 6.232 ( -0.000 0.000 -0.643) 0.643 6.232 ( -0.000 0.000 0.643) 0.643 6.243 ( -0.000 0.000 -7.277) 7.277 6.243 ( -0.000 0.000 7.277) 7.277 6.808 ( -0.000 0.000 -0.176) 0.176 6.808 ( -0.000 0.000 0.176) 0.176 7.484 ( -0.000 0.000 -3.031) 3.031 7.484 ( -0.000 0.000 3.031) 3.031 7.516 ( -0.000 0.000 -8.949) 8.949 7.516 ( -0.000 0.000 8.949) 8.949 8.030 ( -0.000 0.000 -6.677) 6.677 8.030 ( -0.000 0.000 6.677) 6.677 8.811 ( -0.000 0.000 -2.975) 2.975 8.811 ( -0.000 0.000 2.975) 2.975 9.123 ( -0.000 0.000 -5.588) 5.588 9.123 ( -0.000 0.000 5.588) 5.588 9.804 ( -0.000 0.000 -10.880) 10.880 9.804 ( -0.000 0.000 10.880) 10.880 13.058 ( -0.000 0.000 -2.208) 2.208 13.058 ( -0.000 0.000 2.208) 2.208 13.919 ( -0.000 0.000 -0.392) 0.392 13.919 ( -0.000 0.000 0.392) 0.392 15.416 ( -0.000 0.000 -1.176) 1.176 15.416 ( -0.000 0.000 1.176) 1.176=================== 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 3/32928 10.0 428.890 977.609 391.785 0.000 0.000 -0.000 3/32928 20.0 171.715 167.591 90.256 0.000 0.000 -0.000 3/32928 30.0 97.969 78.392 48.101 0.000 0.000 -0.000 3/32928 40.0 66.283 49.045 31.298 0.000 0.000 -0.000 3/32928 50.0 48.156 34.483 22.326 0.000 0.000 -0.000 3/32928 60.0 36.687 25.935 16.894 0.000 0.000 -0.000 3/32928 70.0 29.080 20.463 13.361 0.000 0.000 -0.000 3/32928 80.0 23.836 16.748 10.943 0.000 0.000 -0.000 3/32928 90.0 20.088 14.105 9.217 0.000 0.000 -0.000 3/32928 100.0 17.318 12.151 7.941 0.000 0.000 -0.000 3/32928 110.0 15.207 10.659 6.967 0.000 0.000 -0.000 3/32928 120.0 13.554 9.489 6.204 0.000 0.000 -0.000 3/32928 130.0 12.231 8.549 5.592 0.000 0.000 -0.000 3/32928 140.0 11.149 7.779 5.092 0.000 0.000 -0.000 3/32928 150.0 10.249 7.137 4.676 0.000 0.000 -0.000 3/32928 160.0 9.489 6.595 4.324 0.000 0.000 -0.000 3/32928 170.0 8.838 6.131 4.023 0.000 0.000 -0.000 3/32928 180.0 8.275 5.729 3.763 0.000 0.000 -0.000 3/32928 190.0 7.782 5.378 3.536 0.000 0.000 -0.000 3/32928 200.0 7.347 5.068 3.336 0.000 0.000 -0.000 3/32928 210.0 6.959 4.793 3.157 0.000 0.000 -0.000 3/32928 220.0 6.613 4.548 2.998 0.000 0.000 -0.000 3/32928 230.0 6.300 4.326 2.855 0.000 0.000 -0.000 3/32928 240.0 6.017 4.126 2.725 0.000 0.000 -0.000 3/32928 250.0 5.759 3.944 2.607 0.000 0.000 -0.000 3/32928 260.0 5.523 3.778 2.498 0.000 0.000 -0.000 3/32928 270.0 5.306 3.626 2.399 0.000 0.000 -0.000 3/32928 280.0 5.106 3.485 2.308 0.000 0.000 -0.000 3/32928 290.0 4.921 3.356 2.223 0.000 0.000 -0.000 3/32928 300.0 4.749 3.236 2.145 0.000 0.000 -0.000 3/32928 310.0 4.589 3.124 2.072 0.000 0.000 -0.000 3/32928 320.0 4.440 3.020 2.004 0.000 0.000 -0.000 3/32928 330.0 4.300 2.923 1.941 0.000 0.000 -0.000 3/32928 340.0 4.169 2.832 1.881 0.000 0.000 -0.000 3/32928 350.0 4.046 2.746 1.825 0.000 0.000 -0.000 3/32928 360.0 3.930 2.666 1.773 0.000 0.000 -0.000 3/32928 370.0 3.821 2.591 1.723 0.000 0.000 -0.000 3/32928 380.0 3.717 2.519 1.676 0.000 0.000 -0.000 3/32928 390.0 3.620 2.452 1.632 0.000 0.000 -0.000 3/32928 400.0 3.527 2.388 1.590 0.000 0.000 -0.000 3/32928 410.0 3.439 2.327 1.550 0.000 0.000 -0.000 3/32928 420.0 3.355 2.270 1.512 0.000 0.000 -0.000 3/32928 430.0 3.276 2.215 1.476 0.000 0.000 -0.000 3/32928 440.0 3.200 2.163 1.441 0.000 0.000 -0.000 3/32928 450.0 3.127 2.113 1.409 0.000 0.000 -0.000 3/32928 460.0 3.058 2.066 1.377 0.000 0.000 -0.000 3/32928 470.0 2.992 2.020 1.347 0.000 0.000 -0.000 3/32928 480.0 2.928 1.977 1.319 0.000 0.000 -0.000 3/32928 490.0 2.868 1.936 1.291 0.000 0.000 -0.000 3/32928 500.0 2.810 1.896 1.265 0.000 0.000 -0.000 3/32928 510.0 2.754 1.858 1.240 0.000 0.000 -0.000 3/32928 520.0 2.700 1.821 1.215 0.000 0.000 -0.000 3/32928 530.0 2.648 1.786 1.192 0.000 0.000 -0.000 3/32928 540.0 2.599 1.752 1.170 0.000 0.000 -0.000 3/32928 550.0 2.551 1.719 1.148 0.000 0.000 -0.000 3/32928 560.0 2.505 1.688 1.127 0.000 0.000 -0.000 3/32928 570.0 2.460 1.658 1.107 0.000 0.000 -0.000 3/32928 580.0 2.418 1.629 1.088 0.000 0.000 -0.000 3/32928 590.0 2.376 1.600 1.069 0.000 0.000 -0.000 3/32928 600.0 2.336 1.573 1.051 0.000 0.000 -0.000 3/32928 610.0 2.298 1.547 1.034 0.000 0.000 -0.000 3/32928 620.0 2.260 1.522 1.017 0.000 0.000 -0.000 3/32928 630.0 2.224 1.497 1.001 0.000 0.000 -0.000 3/32928 640.0 2.189 1.473 0.985 0.000 0.000 -0.000 3/32928 650.0 2.155 1.450 0.969 0.000 0.000 -0.000 3/32928 660.0 2.122 1.428 0.955 0.000 0.000 -0.000 3/32928 670.0 2.090 1.406 0.940 0.000 0.000 -0.000 3/32928 680.0 2.059 1.385 0.926 0.000 0.000 -0.000 3/32928 690.0 2.029 1.365 0.913 0.000 0.000 -0.000 3/32928 700.0 2.000 1.345 0.900 0.000 0.000 -0.000 3/32928 710.0 1.972 1.326 0.887 0.000 0.000 -0.000 3/32928 720.0 1.944 1.307 0.874 0.000 0.000 -0.000 3/32928 730.0 1.917 1.289 0.862 0.000 0.000 -0.000 3/32928 740.0 1.891 1.271 0.851 0.000 0.000 -0.000 3/32928 750.0 1.866 1.254 0.839 0.000 0.000 -0.000 3/32928 760.0 1.841 1.238 0.828 0.000 0.000 -0.000 3/32928 770.0 1.817 1.221 0.817 0.000 0.000 -0.000 3/32928 780.0 1.794 1.205 0.807 0.000 0.000 -0.000 3/32928 790.0 1.771 1.190 0.796 0.000 0.000 -0.000 3/32928 800.0 1.748 1.175 0.786 0.000 0.000 -0.000 3/32928 810.0 1.727 1.160 0.777 0.000 0.000 -0.000 3/32928 820.0 1.706 1.146 0.767 0.000 0.000 -0.000 3/32928 830.0 1.685 1.132 0.758 0.000 0.000 -0.000 3/32928 840.0 1.665 1.119 0.749 0.000 0.000 -0.000 3/32928 850.0 1.645 1.105 0.740 0.000 0.000 -0.000 3/32928 860.0 1.626 1.092 0.731 0.000 0.000 -0.000 3/32928 870.0 1.607 1.080 0.723 0.000 0.000 -0.000 3/32928 880.0 1.589 1.067 0.714 0.000 0.000 -0.000 3/32928 890.0 1.571 1.055 0.706 0.000 0.000 -0.000 3/32928 900.0 1.553 1.043 0.698 0.000 0.000 -0.000 3/32928 910.0 1.536 1.032 0.691 0.000 0.000 -0.000 3/32928 920.0 1.519 1.020 0.683 0.000 0.000 -0.000 3/32928 930.0 1.503 1.009 0.676 0.000 0.000 -0.000 3/32928 940.0 1.487 0.999 0.669 0.000 0.000 -0.000 3/32928 950.0 1.471 0.988 0.661 0.000 0.000 -0.000 3/32928 960.0 1.456 0.978 0.655 0.000 0.000 -0.000 3/32928 970.0 1.441 0.967 0.648 0.000 0.000 -0.000 3/32928 980.0 1.426 0.958 0.641 0.000 0.000 -0.000 3/32928 990.0 1.412 0.948 0.635 0.000 0.000 -0.000 3/32928 1000.0 1.398 0.938 0.628 0.000 0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m14144.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 22:58:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|