# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/ada87c78-80a4-4b4b-a0c0-7cce144b25c7/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 LiAgF4 / C2/m (12) / materials id 867712](https://mdr.nims.go.jp/datasets/823ca5c2-6460-4c01-9c93-8d919a29173a) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-09 04:26:49]-------------------------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: [2 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 3.353044230079571 -3.162760010000000 0.000000000000000 b 3.353044230079571 3.162760010000000 0.000000000000000 c -0.517276845560002 0.000000000000000 3.465458633737923Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 *2 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 *3 F 0.29205369576437 0.29205369576437 0.05668829167130 18.998 *4 F 0.19504139531612 0.80495860468388 0.50000000000000 18.998 5 F 0.80495860468388 0.19504139531612 0.50000000000000 18.998 6 F 0.70794630423563 0.70794630423563 0.94331170832870 18.998-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.706088460159142 0.000000000000000 0.000000000000000 b 0.000000000000000 6.325520020000000 0.000000000000000 c -0.517276845560002 0.000000000000000 3.465458633737923Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 *3 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 2 4 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 2 *5 F 0.79205369576437 0.50000000000000 0.05668829167130 18.998 > 3 *6 F 0.00000000000000 0.80495860468388 0.50000000000000 18.998 > 4 7 F 0.00000000000000 0.19504139531612 0.50000000000000 18.998 > 5 8 F 0.20794630423563 0.50000000000000 0.94331170832870 18.998 > 6 9 F 0.29205369576437 0.00000000000000 0.05668829167130 18.998 > 3 10 F 0.50000000000000 0.30495860468388 0.50000000000000 18.998 > 4 11 F 0.50000000000000 0.69504139531612 0.50000000000000 18.998 > 5 12 F 0.70794630423563 0.00000000000000 0.94331170832870 18.998 > 6-------------------------------- super cell --------------------------------Lattice vectors: a 13.412176920318284 0.000000000000000 0.000000000000000 b 0.000000000000000 12.651040040000000 0.000000000000000 c -1.551830536680006 0.000000000000000 10.396375901213769Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.33333333333333 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.33333333333333 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.33333333333333 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.33333333333333 6.941 > 1 9 Li 0.00000000000000 0.00000000000000 0.66666666666667 6.941 > 1 10 Li 0.50000000000000 0.00000000000000 0.66666666666667 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.66666666666667 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.66666666666667 6.941 > 1 13 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 1 14 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 1 15 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 1 16 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 1 17 Li 0.25000000000000 0.25000000000000 0.33333333333333 6.941 > 1 18 Li 0.75000000000000 0.25000000000000 0.33333333333333 6.941 > 1 19 Li 0.25000000000000 0.75000000000000 0.33333333333333 6.941 > 1 20 Li 0.75000000000000 0.75000000000000 0.33333333333333 6.941 > 1 21 Li 0.25000000000000 0.25000000000000 0.66666666666667 6.941 > 1 22 Li 0.75000000000000 0.25000000000000 0.66666666666667 6.941 > 1 23 Li 0.25000000000000 0.75000000000000 0.66666666666667 6.941 > 1 24 Li 0.75000000000000 0.75000000000000 0.66666666666667 6.941 > 1 *25 Ag 0.00000000000000 0.25000000000000 0.16666666666667 107.868 > 2 26 Ag 0.50000000000000 0.25000000000000 0.16666666666667 107.868 > 2 27 Ag 0.00000000000000 0.75000000000000 0.16666666666667 107.868 > 2 28 Ag 0.50000000000000 0.75000000000000 0.16666666666667 107.868 > 2 29 Ag 0.00000000000000 0.25000000000000 0.50000000000000 107.868 > 2 30 Ag 0.50000000000000 0.25000000000000 0.50000000000000 107.868 > 2 31 Ag 0.00000000000000 0.75000000000000 0.50000000000000 107.868 > 2 32 Ag 0.50000000000000 0.75000000000000 0.50000000000000 107.868 > 2 33 Ag 0.00000000000000 0.25000000000000 0.83333333333333 107.868 > 2 34 Ag 0.50000000000000 0.25000000000000 0.83333333333333 107.868 > 2 35 Ag 0.00000000000000 0.75000000000000 0.83333333333333 107.868 > 2 36 Ag 0.50000000000000 0.75000000000000 0.83333333333333 107.868 > 2 37 Ag 0.25000000000000 0.00000000000000 0.16666666666667 107.868 > 2 38 Ag 0.75000000000000 0.00000000000000 0.16666666666667 107.868 > 2 39 Ag 0.25000000000000 0.50000000000000 0.16666666666667 107.868 > 2 40 Ag 0.75000000000000 0.50000000000000 0.16666666666667 107.868 > 2 41 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 2 42 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 2 43 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 2 44 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 2 45 Ag 0.25000000000000 0.00000000000000 0.83333333333333 107.868 > 2 46 Ag 0.75000000000000 0.00000000000000 0.83333333333333 107.868 > 2 47 Ag 0.25000000000000 0.50000000000000 0.83333333333333 107.868 > 2 48 Ag 0.75000000000000 0.50000000000000 0.83333333333333 107.868 > 2 *49 F 0.39602684788219 0.25000000000000 0.01889609722377 18.998 > 3 50 F 0.89602684788219 0.25000000000000 0.01889609722377 18.998 > 3 51 F 0.39602684788219 0.75000000000000 0.01889609722377 18.998 > 3 52 F 0.89602684788219 0.75000000000000 0.01889609722377 18.998 > 3 53 F 0.39602684788219 0.25000000000000 0.35222943055710 18.998 > 3 54 F 0.89602684788219 0.25000000000000 0.35222943055710 18.998 > 3 55 F 0.39602684788219 0.75000000000000 0.35222943055710 18.998 > 3 56 F 0.89602684788219 0.75000000000000 0.35222943055710 18.998 > 3 57 F 0.39602684788219 0.25000000000000 0.68556276389043 18.998 > 3 58 F 0.89602684788219 0.25000000000000 0.68556276389043 18.998 > 3 59 F 0.39602684788219 0.75000000000000 0.68556276389043 18.998 > 3 60 F 0.89602684788219 0.75000000000000 0.68556276389043 18.998 > 3 *61 F 0.00000000000000 0.40247930234194 0.16666666666667 18.998 > 4 62 F 0.50000000000000 0.40247930234194 0.16666666666667 18.998 > 4 63 F 0.00000000000000 0.90247930234194 0.16666666666667 18.998 > 4 64 F 0.50000000000000 0.90247930234194 0.16666666666667 18.998 > 4 65 F 0.00000000000000 0.40247930234194 0.50000000000000 18.998 > 4 66 F 0.50000000000000 0.40247930234194 0.50000000000000 18.998 > 4 67 F 0.00000000000000 0.90247930234194 0.50000000000000 18.998 > 4 68 F 0.50000000000000 0.90247930234194 0.50000000000000 18.998 > 4 69 F 0.00000000000000 0.40247930234194 0.83333333333333 18.998 > 4 70 F 0.50000000000000 0.40247930234194 0.83333333333333 18.998 > 4 71 F 0.00000000000000 0.90247930234194 0.83333333333333 18.998 > 4 72 F 0.50000000000000 0.90247930234194 0.83333333333333 18.998 > 4 73 F 0.00000000000000 0.09752069765806 0.16666666666667 18.998 > 5 74 F 0.50000000000000 0.09752069765806 0.16666666666667 18.998 > 5 75 F 0.00000000000000 0.59752069765806 0.16666666666667 18.998 > 5 76 F 0.50000000000000 0.59752069765806 0.16666666666667 18.998 > 5 77 F 0.00000000000000 0.09752069765806 0.50000000000000 18.998 > 5 78 F 0.50000000000000 0.09752069765806 0.50000000000000 18.998 > 5 79 F 0.00000000000000 0.59752069765806 0.50000000000000 18.998 > 5 80 F 0.50000000000000 0.59752069765806 0.50000000000000 18.998 > 5 81 F 0.00000000000000 0.09752069765806 0.83333333333333 18.998 > 5 82 F 0.50000000000000 0.09752069765806 0.83333333333333 18.998 > 5 83 F 0.00000000000000 0.59752069765806 0.83333333333333 18.998 > 5 84 F 0.50000000000000 0.59752069765806 0.83333333333333 18.998 > 5 85 F 0.10397315211781 0.25000000000000 0.31443723610957 18.998 > 6 86 F 0.60397315211781 0.25000000000000 0.31443723610957 18.998 > 6 87 F 0.10397315211781 0.75000000000000 0.31443723610957 18.998 > 6 88 F 0.60397315211781 0.75000000000000 0.31443723610957 18.998 > 6 89 F 0.10397315211781 0.25000000000000 0.64777056944290 18.998 > 6 90 F 0.60397315211781 0.25000000000000 0.64777056944290 18.998 > 6 91 F 0.10397315211781 0.75000000000000 0.64777056944290 18.998 > 6 92 F 0.60397315211781 0.75000000000000 0.64777056944290 18.998 > 6 93 F 0.10397315211781 0.25000000000000 0.98110390277623 18.998 > 6 94 F 0.60397315211781 0.25000000000000 0.98110390277623 18.998 > 6 95 F 0.10397315211781 0.75000000000000 0.98110390277623 18.998 > 6 96 F 0.60397315211781 0.75000000000000 0.98110390277623 18.998 > 6 97 F 0.14602684788219 0.00000000000000 0.01889609722377 18.998 > 3 98 F 0.64602684788219 0.00000000000000 0.01889609722377 18.998 > 3 99 F 0.14602684788219 0.50000000000000 0.01889609722377 18.998 > 3 100 F 0.64602684788219 0.50000000000000 0.01889609722377 18.998 > 3 101 F 0.14602684788219 0.00000000000000 0.35222943055710 18.998 > 3 102 F 0.64602684788219 0.00000000000000 0.35222943055710 18.998 > 3 103 F 0.14602684788219 0.50000000000000 0.35222943055710 18.998 > 3 104 F 0.64602684788219 0.50000000000000 0.35222943055710 18.998 > 3 105 F 0.14602684788219 0.00000000000000 0.68556276389043 18.998 > 3 106 F 0.64602684788219 0.00000000000000 0.68556276389043 18.998 > 3 107 F 0.14602684788219 0.50000000000000 0.68556276389043 18.998 > 3 108 F 0.64602684788219 0.50000000000000 0.68556276389043 18.998 > 3 109 F 0.25000000000000 0.15247930234194 0.16666666666667 18.998 > 4 110 F 0.75000000000000 0.15247930234194 0.16666666666667 18.998 > 4 111 F 0.25000000000000 0.65247930234194 0.16666666666667 18.998 > 4 112 F 0.75000000000000 0.65247930234194 0.16666666666667 18.998 > 4 113 F 0.25000000000000 0.15247930234194 0.50000000000000 18.998 > 4 114 F 0.75000000000000 0.15247930234194 0.50000000000000 18.998 > 4 115 F 0.25000000000000 0.65247930234194 0.50000000000000 18.998 > 4 116 F 0.75000000000000 0.65247930234194 0.50000000000000 18.998 > 4 117 F 0.25000000000000 0.15247930234194 0.83333333333333 18.998 > 4 118 F 0.75000000000000 0.15247930234194 0.83333333333333 18.998 > 4 119 F 0.25000000000000 0.65247930234194 0.83333333333333 18.998 > 4 120 F 0.75000000000000 0.65247930234194 0.83333333333333 18.998 > 4 121 F 0.25000000000000 0.34752069765806 0.16666666666667 18.998 > 5 122 F 0.75000000000000 0.34752069765806 0.16666666666667 18.998 > 5 123 F 0.25000000000000 0.84752069765806 0.16666666666667 18.998 > 5 124 F 0.75000000000000 0.84752069765806 0.16666666666667 18.998 > 5 125 F 0.25000000000000 0.34752069765806 0.50000000000000 18.998 > 5 126 F 0.75000000000000 0.34752069765806 0.50000000000000 18.998 > 5 127 F 0.25000000000000 0.84752069765806 0.50000000000000 18.998 > 5 128 F 0.75000000000000 0.84752069765806 0.50000000000000 18.998 > 5 129 F 0.25000000000000 0.34752069765806 0.83333333333333 18.998 > 5 130 F 0.75000000000000 0.34752069765806 0.83333333333333 18.998 > 5 131 F 0.25000000000000 0.84752069765806 0.83333333333333 18.998 > 5 132 F 0.75000000000000 0.84752069765806 0.83333333333333 18.998 > 5 133 F 0.35397315211781 0.00000000000000 0.31443723610957 18.998 > 6 134 F 0.85397315211781 0.00000000000000 0.31443723610957 18.998 > 6 135 F 0.35397315211781 0.50000000000000 0.31443723610957 18.998 > 6 136 F 0.85397315211781 0.50000000000000 0.31443723610957 18.998 > 6 137 F 0.35397315211781 0.00000000000000 0.64777056944290 18.998 > 6 138 F 0.85397315211781 0.00000000000000 0.64777056944290 18.998 > 6 139 F 0.35397315211781 0.50000000000000 0.64777056944290 18.998 > 6 140 F 0.85397315211781 0.50000000000000 0.64777056944290 18.998 > 6 141 F 0.35397315211781 0.00000000000000 0.98110390277623 18.998 > 6 142 F 0.85397315211781 0.00000000000000 0.98110390277623 18.998 > 6 143 F 0.35397315211781 0.50000000000000 0.98110390277623 18.998 > 6 144 F 0.85397315211781 0.50000000000000 0.98110390277623 18.998 > 6----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5451348 0.0000000 0.4995049 0.0000000 3.9893441 0.0000000 0.4995019 0.0000000 3.2955206-------------------------- Born effective charges -------------------------- 1 Li 1.3912132 0.0000000 -0.0048892 0.0000000 1.4387113 0.0000000 0.3458668 0.0000000 1.1267376 2 Ag 1.5530666 0.0000000 0.4432975 0.0000000 2.5360085 0.0000000 0.3935382 0.0000000 2.3463099 3 F -0.9849326 0.0000000 -0.2392004 0.0000000 -0.3281910 0.0000000 -0.3882634 0.0000000 -1.1463653 4 F -0.4872073 0.0000000 0.0199962 0.0000000 -1.6591689 0.0000000 0.0185609 0.0000000 -0.5901585 5 F -0.4872073 0.0000000 0.0199962 0.0000000 -1.6591689 0.0000000 0.0185609 0.0000000 -0.5901585 6 F -0.9849326 0.0000000 -0.2392004 0.0000000 -0.3281910 0.0000000 -0.3882634 0.0000000 -1.1463653----------------------------------------------------------------------------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: 432/432Permutation basis: 5148/5148Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1112Number of blocks in projector: 1112Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 12--- Eigsh_solver_block: 1 / 12 ---Block_size: 282Use standard eigh solver.--- Eigsh_solver_block: 2 / 12 ---Block_size: 174Use standard eigh solver.--- Eigsh_solver_block: 3 / 12 ---Block_size: 174Use standard eigh solver.--- Eigsh_solver_block: 4 / 12 ---Block_size: 174Use standard eigh solver.--- Eigsh_solver_block: 5 / 12 ---Block_size: 154Use standard eigh solver.--- Eigsh_solver_block: 6 / 12 ---Block_size: 148Use standard eigh solver.--- Eigsh_solver_block: 7 / 12 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 8 / 12 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 9 / 12 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 10 / 12 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 11 / 12 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 12 / 12 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (1112, 1093), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (148, 148), data: True|-- (154, 154), data: True|-- (174, 170), data: True|-- (174, 170), data: True|-- (174, 170), data: True|-- (282, 275), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 240 - Time: 1.565Solver_block: 200 / 240 - Time: 1.549Solver_block: 240 / 240 - Time: 0.687Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.828--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 432/432Permutation basis: 5148/5148Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1112Number of blocks in projector: 1112Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 12--- Eigsh_solver_block: 1 / 12 ---Block_size: 282Use standard eigh solver.--- Eigsh_solver_block: 2 / 12 ---Block_size: 174Use standard eigh solver.--- Eigsh_solver_block: 3 / 12 ---Block_size: 174Use standard eigh solver.--- Eigsh_solver_block: 4 / 12 ---Block_size: 174Use standard eigh solver.--- Eigsh_solver_block: 5 / 12 ---Block_size: 154Use standard eigh solver.--- Eigsh_solver_block: 6 / 12 ---Block_size: 148Use standard eigh solver.--- Eigsh_solver_block: 7 / 12 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 8 / 12 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 9 / 12 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 10 / 12 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 11 / 12 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 12 / 12 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (1112, 1093), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (148, 148), data: True|-- (154, 154), data: True|-- (174, 170), data: True|-- (174, 170), data: True|-- (174, 170), data: True|-- (282, 275), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-09 04:27:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 04:27:06]-------------------------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): [2 2 3]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.353044230079571 -3.162760010000000 0.000000000000000 b 3.353044230079571 3.162760010000000 0.000000000000000 c -0.517276845560002 0.000000000000000 3.465458633737923Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 3 F 0.29205369576437 0.29205369576437 0.05668829167130 18.998 4 F 0.19504139531612 0.80495860468388 0.50000000000000 18.998 5 F 0.80495860468388 0.19504139531612 0.50000000000000 18.998 6 F 0.70794630423563 0.70794630423563 0.94331170832870 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 13.412176920318284 0.000000000000000 0.000000000000000 b 0.000000000000000 12.651040040000000 0.000000000000000 c -1.551830536680006 0.000000000000000 10.396375901213769Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.33333333333333 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.33333333333333 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.33333333333333 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.33333333333333 6.941 > 1 9 Li 0.00000000000000 0.00000000000000 0.66666666666667 6.941 > 1 10 Li 0.50000000000000 0.00000000000000 0.66666666666667 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.66666666666667 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.66666666666667 6.941 > 1 13 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 1 14 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 1 15 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 1 16 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 1 17 Li 0.25000000000000 0.25000000000000 0.33333333333333 6.941 > 1 18 Li 0.75000000000000 0.25000000000000 0.33333333333333 6.941 > 1 19 Li 0.25000000000000 0.75000000000000 0.33333333333333 6.941 > 1 20 Li 0.75000000000000 0.75000000000000 0.33333333333333 6.941 > 1 21 Li 0.25000000000000 0.25000000000000 0.66666666666667 6.941 > 1 22 Li 0.75000000000000 0.25000000000000 0.66666666666667 6.941 > 1 23 Li 0.25000000000000 0.75000000000000 0.66666666666667 6.941 > 1 24 Li 0.75000000000000 0.75000000000000 0.66666666666667 6.941 > 1 25 Ag 0.00000000000000 0.25000000000000 0.16666666666667 107.868 > 25 26 Ag 0.50000000000000 0.25000000000000 0.16666666666667 107.868 > 25 27 Ag 0.00000000000000 0.75000000000000 0.16666666666667 107.868 > 25 28 Ag 0.50000000000000 0.75000000000000 0.16666666666667 107.868 > 25 29 Ag 0.00000000000000 0.25000000000000 0.50000000000000 107.868 > 25 30 Ag 0.50000000000000 0.25000000000000 0.50000000000000 107.868 > 25 31 Ag 0.00000000000000 0.75000000000000 0.50000000000000 107.868 > 25 32 Ag 0.50000000000000 0.75000000000000 0.50000000000000 107.868 > 25 33 Ag 0.00000000000000 0.25000000000000 0.83333333333333 107.868 > 25 34 Ag 0.50000000000000 0.25000000000000 0.83333333333333 107.868 > 25 35 Ag 0.00000000000000 0.75000000000000 0.83333333333333 107.868 > 25 36 Ag 0.50000000000000 0.75000000000000 0.83333333333333 107.868 > 25 37 Ag 0.25000000000000 0.00000000000000 0.16666666666667 107.868 > 25 38 Ag 0.75000000000000 0.00000000000000 0.16666666666667 107.868 > 25 39 Ag 0.25000000000000 0.50000000000000 0.16666666666667 107.868 > 25 40 Ag 0.75000000000000 0.50000000000000 0.16666666666667 107.868 > 25 41 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 25 42 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 25 43 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 25 44 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 25 45 Ag 0.25000000000000 0.00000000000000 0.83333333333333 107.868 > 25 46 Ag 0.75000000000000 0.00000000000000 0.83333333333333 107.868 > 25 47 Ag 0.25000000000000 0.50000000000000 0.83333333333333 107.868 > 25 48 Ag 0.75000000000000 0.50000000000000 0.83333333333333 107.868 > 25 49 F 0.39602684788219 0.25000000000000 0.01889609722377 18.998 > 49 50 F 0.89602684788219 0.25000000000000 0.01889609722377 18.998 > 49 51 F 0.39602684788219 0.75000000000000 0.01889609722377 18.998 > 49 52 F 0.89602684788219 0.75000000000000 0.01889609722377 18.998 > 49 53 F 0.39602684788219 0.25000000000000 0.35222943055710 18.998 > 49 54 F 0.89602684788219 0.25000000000000 0.35222943055710 18.998 > 49 55 F 0.39602684788219 0.75000000000000 0.35222943055710 18.998 > 49 56 F 0.89602684788219 0.75000000000000 0.35222943055710 18.998 > 49 57 F 0.39602684788219 0.25000000000000 0.68556276389043 18.998 > 49 58 F 0.89602684788219 0.25000000000000 0.68556276389043 18.998 > 49 59 F 0.39602684788219 0.75000000000000 0.68556276389043 18.998 > 49 60 F 0.89602684788219 0.75000000000000 0.68556276389043 18.998 > 49 61 F 0.00000000000000 0.40247930234194 0.16666666666667 18.998 > 61 62 F 0.50000000000000 0.40247930234194 0.16666666666667 18.998 > 61 63 F 0.00000000000000 0.90247930234194 0.16666666666667 18.998 > 61 64 F 0.50000000000000 0.90247930234194 0.16666666666667 18.998 > 61 65 F 0.00000000000000 0.40247930234194 0.50000000000000 18.998 > 61 66 F 0.50000000000000 0.40247930234194 0.50000000000000 18.998 > 61 67 F 0.00000000000000 0.90247930234194 0.50000000000000 18.998 > 61 68 F 0.50000000000000 0.90247930234194 0.50000000000000 18.998 > 61 69 F 0.00000000000000 0.40247930234194 0.83333333333333 18.998 > 61 70 F 0.50000000000000 0.40247930234194 0.83333333333333 18.998 > 61 71 F 0.00000000000000 0.90247930234194 0.83333333333333 18.998 > 61 72 F 0.50000000000000 0.90247930234194 0.83333333333333 18.998 > 61 73 F 0.00000000000000 0.09752069765806 0.16666666666667 18.998 > 73 74 F 0.50000000000000 0.09752069765806 0.16666666666667 18.998 > 73 75 F 0.00000000000000 0.59752069765806 0.16666666666667 18.998 > 73 76 F 0.50000000000000 0.59752069765806 0.16666666666667 18.998 > 73 77 F 0.00000000000000 0.09752069765806 0.50000000000000 18.998 > 73 78 F 0.50000000000000 0.09752069765806 0.50000000000000 18.998 > 73 79 F 0.00000000000000 0.59752069765806 0.50000000000000 18.998 > 73 80 F 0.50000000000000 0.59752069765806 0.50000000000000 18.998 > 73 81 F 0.00000000000000 0.09752069765806 0.83333333333333 18.998 > 73 82 F 0.50000000000000 0.09752069765806 0.83333333333333 18.998 > 73 83 F 0.00000000000000 0.59752069765806 0.83333333333333 18.998 > 73 84 F 0.50000000000000 0.59752069765806 0.83333333333333 18.998 > 73 85 F 0.10397315211781 0.25000000000000 0.31443723610957 18.998 > 85 86 F 0.60397315211781 0.25000000000000 0.31443723610957 18.998 > 85 87 F 0.10397315211781 0.75000000000000 0.31443723610957 18.998 > 85 88 F 0.60397315211781 0.75000000000000 0.31443723610957 18.998 > 85 89 F 0.10397315211781 0.25000000000000 0.64777056944290 18.998 > 85 90 F 0.60397315211781 0.25000000000000 0.64777056944290 18.998 > 85 91 F 0.10397315211781 0.75000000000000 0.64777056944290 18.998 > 85 92 F 0.60397315211781 0.75000000000000 0.64777056944290 18.998 > 85 93 F 0.10397315211781 0.25000000000000 0.98110390277623 18.998 > 85 94 F 0.60397315211781 0.25000000000000 0.98110390277623 18.998 > 85 95 F 0.10397315211781 0.75000000000000 0.98110390277623 18.998 > 85 96 F 0.60397315211781 0.75000000000000 0.98110390277623 18.998 > 85 97 F 0.14602684788219 0.00000000000000 0.01889609722377 18.998 > 49 98 F 0.64602684788219 0.00000000000000 0.01889609722377 18.998 > 49 99 F 0.14602684788219 0.50000000000000 0.01889609722377 18.998 > 49 100 F 0.64602684788219 0.50000000000000 0.01889609722377 18.998 > 49 101 F 0.14602684788219 0.00000000000000 0.35222943055710 18.998 > 49 102 F 0.64602684788219 0.00000000000000 0.35222943055710 18.998 > 49 103 F 0.14602684788219 0.50000000000000 0.35222943055710 18.998 > 49 104 F 0.64602684788219 0.50000000000000 0.35222943055710 18.998 > 49 105 F 0.14602684788219 0.00000000000000 0.68556276389043 18.998 > 49 106 F 0.64602684788219 0.00000000000000 0.68556276389043 18.998 > 49 107 F 0.14602684788219 0.50000000000000 0.68556276389043 18.998 > 49 108 F 0.64602684788219 0.50000000000000 0.68556276389043 18.998 > 49 109 F 0.25000000000000 0.15247930234194 0.16666666666667 18.998 > 61 110 F 0.75000000000000 0.15247930234194 0.16666666666667 18.998 > 61 111 F 0.25000000000000 0.65247930234194 0.16666666666667 18.998 > 61 112 F 0.75000000000000 0.65247930234194 0.16666666666667 18.998 > 61 113 F 0.25000000000000 0.15247930234194 0.50000000000000 18.998 > 61 114 F 0.75000000000000 0.15247930234194 0.50000000000000 18.998 > 61 115 F 0.25000000000000 0.65247930234194 0.50000000000000 18.998 > 61 116 F 0.75000000000000 0.65247930234194 0.50000000000000 18.998 > 61 117 F 0.25000000000000 0.15247930234194 0.83333333333333 18.998 > 61 118 F 0.75000000000000 0.15247930234194 0.83333333333333 18.998 > 61 119 F 0.25000000000000 0.65247930234194 0.83333333333333 18.998 > 61 120 F 0.75000000000000 0.65247930234194 0.83333333333333 18.998 > 61 121 F 0.25000000000000 0.34752069765806 0.16666666666667 18.998 > 73 122 F 0.75000000000000 0.34752069765806 0.16666666666667 18.998 > 73 123 F 0.25000000000000 0.84752069765806 0.16666666666667 18.998 > 73 124 F 0.75000000000000 0.84752069765806 0.16666666666667 18.998 > 73 125 F 0.25000000000000 0.34752069765806 0.50000000000000 18.998 > 73 126 F 0.75000000000000 0.34752069765806 0.50000000000000 18.998 > 73 127 F 0.25000000000000 0.84752069765806 0.50000000000000 18.998 > 73 128 F 0.75000000000000 0.84752069765806 0.50000000000000 18.998 > 73 129 F 0.25000000000000 0.34752069765806 0.83333333333333 18.998 > 73 130 F 0.75000000000000 0.34752069765806 0.83333333333333 18.998 > 73 131 F 0.25000000000000 0.84752069765806 0.83333333333333 18.998 > 73 132 F 0.75000000000000 0.84752069765806 0.83333333333333 18.998 > 73 133 F 0.35397315211781 0.00000000000000 0.31443723610957 18.998 > 85 134 F 0.85397315211781 0.00000000000000 0.31443723610957 18.998 > 85 135 F 0.35397315211781 0.50000000000000 0.31443723610957 18.998 > 85 136 F 0.85397315211781 0.50000000000000 0.31443723610957 18.998 > 85 137 F 0.35397315211781 0.00000000000000 0.64777056944290 18.998 > 85 138 F 0.85397315211781 0.00000000000000 0.64777056944290 18.998 > 85 139 F 0.35397315211781 0.50000000000000 0.64777056944290 18.998 > 85 140 F 0.85397315211781 0.50000000000000 0.64777056944290 18.998 > 85 141 F 0.35397315211781 0.00000000000000 0.98110390277623 18.998 > 85 142 F 0.85397315211781 0.00000000000000 0.98110390277623 18.998 > 85 143 F 0.35397315211781 0.50000000000000 0.98110390277623 18.998 > 85 144 F 0.85397315211781 0.50000000000000 0.98110390277623 18.998 > 85----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5451348 0.0000000 0.4995049 0.0000000 3.9893441 0.0000000 0.4995019 0.0000000 3.2955206-------------------------- Born effective charges -------------------------- 1 Li 1.3912132 0.0000000 -0.0048892 0.0000000 1.4387113 0.0000000 0.3458668 0.0000000 1.1267376 2 Ag 1.5530666 0.0000000 0.4432975 0.0000000 2.5360085 0.0000000 0.3935382 0.0000000 2.3463099 3 F -0.9849326 0.0000000 -0.2392004 0.0000000 -0.3281910 0.0000000 -0.3882634 0.0000000 -1.1463653 4 F -0.4872073 0.0000000 0.0199962 0.0000000 -1.6591689 0.0000000 0.0185609 0.0000000 -0.5901585 5 F -0.4872073 0.0000000 0.0199962 0.0000000 -1.6591689 0.0000000 0.0185609 0.0000000 -0.5901585 6 F -0.9849326 0.0000000 -0.2392004 0.0000000 -0.3281910 0.0000000 -0.3882634 0.0000000 -1.1463653----------------------------------------------------------------------------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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099]Computing fc3[ 25, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099]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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099]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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) 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 2026-01-09 04:27:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 04:27:24]-------------------------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): [2 2 3]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.353044230079571 -3.162760010000000 0.000000000000000 b 3.353044230079571 3.162760010000000 0.000000000000000 c -0.517276845560002 0.000000000000000 3.465458633737923Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 3 F 0.29205369576437 0.29205369576437 0.05668829167130 18.998 4 F 0.19504139531612 0.80495860468388 0.50000000000000 18.998 5 F 0.80495860468388 0.19504139531612 0.50000000000000 18.998 6 F 0.70794630423563 0.70794630423563 0.94331170832870 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 13.412176920318284 0.000000000000000 0.000000000000000 b 0.000000000000000 12.651040040000000 0.000000000000000 c -1.551830536680006 0.000000000000000 10.396375901213769Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.33333333333333 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.33333333333333 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.33333333333333 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.33333333333333 6.941 > 1 9 Li 0.00000000000000 0.00000000000000 0.66666666666667 6.941 > 1 10 Li 0.50000000000000 0.00000000000000 0.66666666666667 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.66666666666667 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.66666666666667 6.941 > 1 13 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 1 14 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 1 15 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 1 16 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 1 17 Li 0.25000000000000 0.25000000000000 0.33333333333333 6.941 > 1 18 Li 0.75000000000000 0.25000000000000 0.33333333333333 6.941 > 1 19 Li 0.25000000000000 0.75000000000000 0.33333333333333 6.941 > 1 20 Li 0.75000000000000 0.75000000000000 0.33333333333333 6.941 > 1 21 Li 0.25000000000000 0.25000000000000 0.66666666666667 6.941 > 1 22 Li 0.75000000000000 0.25000000000000 0.66666666666667 6.941 > 1 23 Li 0.25000000000000 0.75000000000000 0.66666666666667 6.941 > 1 24 Li 0.75000000000000 0.75000000000000 0.66666666666667 6.941 > 1 25 Ag 0.00000000000000 0.25000000000000 0.16666666666667 107.868 > 25 26 Ag 0.50000000000000 0.25000000000000 0.16666666666667 107.868 > 25 27 Ag 0.00000000000000 0.75000000000000 0.16666666666667 107.868 > 25 28 Ag 0.50000000000000 0.75000000000000 0.16666666666667 107.868 > 25 29 Ag 0.00000000000000 0.25000000000000 0.50000000000000 107.868 > 25 30 Ag 0.50000000000000 0.25000000000000 0.50000000000000 107.868 > 25 31 Ag 0.00000000000000 0.75000000000000 0.50000000000000 107.868 > 25 32 Ag 0.50000000000000 0.75000000000000 0.50000000000000 107.868 > 25 33 Ag 0.00000000000000 0.25000000000000 0.83333333333333 107.868 > 25 34 Ag 0.50000000000000 0.25000000000000 0.83333333333333 107.868 > 25 35 Ag 0.00000000000000 0.75000000000000 0.83333333333333 107.868 > 25 36 Ag 0.50000000000000 0.75000000000000 0.83333333333333 107.868 > 25 37 Ag 0.25000000000000 0.00000000000000 0.16666666666667 107.868 > 25 38 Ag 0.75000000000000 0.00000000000000 0.16666666666667 107.868 > 25 39 Ag 0.25000000000000 0.50000000000000 0.16666666666667 107.868 > 25 40 Ag 0.75000000000000 0.50000000000000 0.16666666666667 107.868 > 25 41 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 25 42 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 25 43 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 25 44 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 25 45 Ag 0.25000000000000 0.00000000000000 0.83333333333333 107.868 > 25 46 Ag 0.75000000000000 0.00000000000000 0.83333333333333 107.868 > 25 47 Ag 0.25000000000000 0.50000000000000 0.83333333333333 107.868 > 25 48 Ag 0.75000000000000 0.50000000000000 0.83333333333333 107.868 > 25 49 F 0.39602684788219 0.25000000000000 0.01889609722377 18.998 > 49 50 F 0.89602684788219 0.25000000000000 0.01889609722377 18.998 > 49 51 F 0.39602684788219 0.75000000000000 0.01889609722377 18.998 > 49 52 F 0.89602684788219 0.75000000000000 0.01889609722377 18.998 > 49 53 F 0.39602684788219 0.25000000000000 0.35222943055710 18.998 > 49 54 F 0.89602684788219 0.25000000000000 0.35222943055710 18.998 > 49 55 F 0.39602684788219 0.75000000000000 0.35222943055710 18.998 > 49 56 F 0.89602684788219 0.75000000000000 0.35222943055710 18.998 > 49 57 F 0.39602684788219 0.25000000000000 0.68556276389043 18.998 > 49 58 F 0.89602684788219 0.25000000000000 0.68556276389043 18.998 > 49 59 F 0.39602684788219 0.75000000000000 0.68556276389043 18.998 > 49 60 F 0.89602684788219 0.75000000000000 0.68556276389043 18.998 > 49 61 F 0.00000000000000 0.40247930234194 0.16666666666667 18.998 > 61 62 F 0.50000000000000 0.40247930234194 0.16666666666667 18.998 > 61 63 F 0.00000000000000 0.90247930234194 0.16666666666667 18.998 > 61 64 F 0.50000000000000 0.90247930234194 0.16666666666667 18.998 > 61 65 F 0.00000000000000 0.40247930234194 0.50000000000000 18.998 > 61 66 F 0.50000000000000 0.40247930234194 0.50000000000000 18.998 > 61 67 F 0.00000000000000 0.90247930234194 0.50000000000000 18.998 > 61 68 F 0.50000000000000 0.90247930234194 0.50000000000000 18.998 > 61 69 F 0.00000000000000 0.40247930234194 0.83333333333333 18.998 > 61 70 F 0.50000000000000 0.40247930234194 0.83333333333333 18.998 > 61 71 F 0.00000000000000 0.90247930234194 0.83333333333333 18.998 > 61 72 F 0.50000000000000 0.90247930234194 0.83333333333333 18.998 > 61 73 F 0.00000000000000 0.09752069765806 0.16666666666667 18.998 > 73 74 F 0.50000000000000 0.09752069765806 0.16666666666667 18.998 > 73 75 F 0.00000000000000 0.59752069765806 0.16666666666667 18.998 > 73 76 F 0.50000000000000 0.59752069765806 0.16666666666667 18.998 > 73 77 F 0.00000000000000 0.09752069765806 0.50000000000000 18.998 > 73 78 F 0.50000000000000 0.09752069765806 0.50000000000000 18.998 > 73 79 F 0.00000000000000 0.59752069765806 0.50000000000000 18.998 > 73 80 F 0.50000000000000 0.59752069765806 0.50000000000000 18.998 > 73 81 F 0.00000000000000 0.09752069765806 0.83333333333333 18.998 > 73 82 F 0.50000000000000 0.09752069765806 0.83333333333333 18.998 > 73 83 F 0.00000000000000 0.59752069765806 0.83333333333333 18.998 > 73 84 F 0.50000000000000 0.59752069765806 0.83333333333333 18.998 > 73 85 F 0.10397315211781 0.25000000000000 0.31443723610957 18.998 > 85 86 F 0.60397315211781 0.25000000000000 0.31443723610957 18.998 > 85 87 F 0.10397315211781 0.75000000000000 0.31443723610957 18.998 > 85 88 F 0.60397315211781 0.75000000000000 0.31443723610957 18.998 > 85 89 F 0.10397315211781 0.25000000000000 0.64777056944290 18.998 > 85 90 F 0.60397315211781 0.25000000000000 0.64777056944290 18.998 > 85 91 F 0.10397315211781 0.75000000000000 0.64777056944290 18.998 > 85 92 F 0.60397315211781 0.75000000000000 0.64777056944290 18.998 > 85 93 F 0.10397315211781 0.25000000000000 0.98110390277623 18.998 > 85 94 F 0.60397315211781 0.25000000000000 0.98110390277623 18.998 > 85 95 F 0.10397315211781 0.75000000000000 0.98110390277623 18.998 > 85 96 F 0.60397315211781 0.75000000000000 0.98110390277623 18.998 > 85 97 F 0.14602684788219 0.00000000000000 0.01889609722377 18.998 > 49 98 F 0.64602684788219 0.00000000000000 0.01889609722377 18.998 > 49 99 F 0.14602684788219 0.50000000000000 0.01889609722377 18.998 > 49 100 F 0.64602684788219 0.50000000000000 0.01889609722377 18.998 > 49 101 F 0.14602684788219 0.00000000000000 0.35222943055710 18.998 > 49 102 F 0.64602684788219 0.00000000000000 0.35222943055710 18.998 > 49 103 F 0.14602684788219 0.50000000000000 0.35222943055710 18.998 > 49 104 F 0.64602684788219 0.50000000000000 0.35222943055710 18.998 > 49 105 F 0.14602684788219 0.00000000000000 0.68556276389043 18.998 > 49 106 F 0.64602684788219 0.00000000000000 0.68556276389043 18.998 > 49 107 F 0.14602684788219 0.50000000000000 0.68556276389043 18.998 > 49 108 F 0.64602684788219 0.50000000000000 0.68556276389043 18.998 > 49 109 F 0.25000000000000 0.15247930234194 0.16666666666667 18.998 > 61 110 F 0.75000000000000 0.15247930234194 0.16666666666667 18.998 > 61 111 F 0.25000000000000 0.65247930234194 0.16666666666667 18.998 > 61 112 F 0.75000000000000 0.65247930234194 0.16666666666667 18.998 > 61 113 F 0.25000000000000 0.15247930234194 0.50000000000000 18.998 > 61 114 F 0.75000000000000 0.15247930234194 0.50000000000000 18.998 > 61 115 F 0.25000000000000 0.65247930234194 0.50000000000000 18.998 > 61 116 F 0.75000000000000 0.65247930234194 0.50000000000000 18.998 > 61 117 F 0.25000000000000 0.15247930234194 0.83333333333333 18.998 > 61 118 F 0.75000000000000 0.15247930234194 0.83333333333333 18.998 > 61 119 F 0.25000000000000 0.65247930234194 0.83333333333333 18.998 > 61 120 F 0.75000000000000 0.65247930234194 0.83333333333333 18.998 > 61 121 F 0.25000000000000 0.34752069765806 0.16666666666667 18.998 > 73 122 F 0.75000000000000 0.34752069765806 0.16666666666667 18.998 > 73 123 F 0.25000000000000 0.84752069765806 0.16666666666667 18.998 > 73 124 F 0.75000000000000 0.84752069765806 0.16666666666667 18.998 > 73 125 F 0.25000000000000 0.34752069765806 0.50000000000000 18.998 > 73 126 F 0.75000000000000 0.34752069765806 0.50000000000000 18.998 > 73 127 F 0.25000000000000 0.84752069765806 0.50000000000000 18.998 > 73 128 F 0.75000000000000 0.84752069765806 0.50000000000000 18.998 > 73 129 F 0.25000000000000 0.34752069765806 0.83333333333333 18.998 > 73 130 F 0.75000000000000 0.34752069765806 0.83333333333333 18.998 > 73 131 F 0.25000000000000 0.84752069765806 0.83333333333333 18.998 > 73 132 F 0.75000000000000 0.84752069765806 0.83333333333333 18.998 > 73 133 F 0.35397315211781 0.00000000000000 0.31443723610957 18.998 > 85 134 F 0.85397315211781 0.00000000000000 0.31443723610957 18.998 > 85 135 F 0.35397315211781 0.50000000000000 0.31443723610957 18.998 > 85 136 F 0.85397315211781 0.50000000000000 0.31443723610957 18.998 > 85 137 F 0.35397315211781 0.00000000000000 0.64777056944290 18.998 > 85 138 F 0.85397315211781 0.00000000000000 0.64777056944290 18.998 > 85 139 F 0.35397315211781 0.50000000000000 0.64777056944290 18.998 > 85 140 F 0.85397315211781 0.50000000000000 0.64777056944290 18.998 > 85 141 F 0.35397315211781 0.00000000000000 0.98110390277623 18.998 > 85 142 F 0.85397315211781 0.00000000000000 0.98110390277623 18.998 > 85 143 F 0.35397315211781 0.50000000000000 0.98110390277623 18.998 > 85 144 F 0.85397315211781 0.50000000000000 0.98110390277623 18.998 > 85----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.5451348 0.0000000 0.4995049 0.0000000 3.9893441 0.0000000 0.4995019 0.0000000 3.2955206-------------------------- Born effective charges -------------------------- 1 Li 1.3912132 0.0000000 -0.0048892 0.0000000 1.4387113 0.0000000 0.3458668 0.0000000 1.1267376 2 Ag 1.5530666 0.0000000 0.4432975 0.0000000 2.5360085 0.0000000 0.3935382 0.0000000 2.3463099 3 F -0.9849326 0.0000000 -0.2392004 0.0000000 -0.3281910 0.0000000 -0.3882634 0.0000000 -1.1463653 4 F -0.4872073 0.0000000 0.0199962 0.0000000 -1.6591689 0.0000000 0.0185609 0.0000000 -0.5901585 5 F -0.4872073 0.0000000 0.0199962 0.0000000 -1.6591689 0.0000000 0.0185609 0.0000000 -0.5901585 6 F -0.9849326 0.0000000 -0.2392004 0.0000000 -0.3281910 0.0000000 -0.3882634 0.0000000 -1.1463653----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz)Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- 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 ... [ 11 11 14 ]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: 0.99, Number of G-points: 301, Lambda: 0.19Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/468) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating 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 1.389 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.978 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 0.000) 0.000 13.873 ( 0.000 0.000 0.000) 0.000 15.654 ( 0.000 0.000 0.000) 0.000 16.732 ( 0.000 0.000 0.000) 0.000 17.261 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/468) =======================q-point: ( 0.09 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.392 ( 24.316 -5.547 -9.346) 26.635 0.590 ( 29.757 -9.997 17.123) 35.758 0.799 ( 9.786 -44.006 6.994) 45.621 1.498 ( 6.124 -8.340 2.176) 10.573 3.822 ( -2.381 7.158 0.166) 7.545 4.679 ( -2.327 -8.188 1.493) 8.642 6.080 ( -11.431 -1.097 9.299) 14.776 6.386 ( -1.859 -2.843 -3.556) 4.917 6.566 ( -1.779 -7.350 -12.553) 14.654 6.957 ( -2.334 0.118 -1.378) 2.713 7.448 ( 3.606 -2.036 3.566) 5.465 7.792 ( -10.966 -11.925 -34.200) 37.843 8.196 ( -67.241 -61.867 -3.930) 91.457 13.169 ( 63.786 69.157 -6.052) 94.276 13.849 ( 0.165 3.306 -0.314) 3.325 15.682 ( 7.335 3.960 3.052) 8.876 17.085 ( -13.752 -17.168 -17.263) 27.962 18.354 ( 0.681 6.426 49.744) 50.162======================= Grid point 2 (3/468) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.778 ( 22.919 -5.923 -8.635) 25.197 1.154 ( 27.327 -9.569 15.298) 32.747 1.531 ( 8.524 -37.135 4.699) 38.389 1.774 ( 9.747 -13.903 4.458) 17.554 3.642 ( -5.435 10.038 0.653) 11.434 4.792 ( -3.201 -12.004 -1.240) 12.485 5.947 ( -9.094 1.468 5.453) 10.704 6.365 ( -3.370 -0.117 -4.092) 5.303 6.635 ( -1.109 -6.381 -3.435) 7.332 6.926 ( -3.609 -2.921 -2.857) 5.452 7.546 ( 4.151 -1.814 3.533) 5.745 7.738 ( -1.158 -0.233 -17.104) 17.145 8.156 ( -31.543 -26.586 -0.405) 41.255 13.003 ( 20.519 30.294 -6.870) 37.229 13.789 ( 0.649 5.303 -0.309) 5.352 15.736 ( 10.360 6.720 4.620) 13.185 17.111 ( -6.373 -8.325 -6.068) 12.113 18.384 ( -2.199 -2.358 19.755) 20.016======================= Grid point 3 (4/468) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 20.343 -6.162 -7.403) 22.508 1.654 ( 23.004 -8.187 12.452) 27.409 2.005 ( 6.726 -15.339 0.867) 16.771 2.234 ( 9.744 -26.621 5.761) 28.928 3.404 ( -8.304 9.891 2.492) 13.153 4.916 ( -3.155 -11.190 -1.871) 11.776 5.833 ( -7.343 -0.643 2.462) 7.771 6.286 ( -2.851 3.975 -2.767) 5.620 6.678 ( -2.687 -3.286 -0.094) 4.246 6.957 ( -3.152 -8.892 -4.052) 10.267 7.572 ( -0.517 2.222 -0.726) 2.394 7.745 ( 7.026 1.440 -6.508) 9.685 8.108 ( -18.250 -13.730 1.022) 22.861 12.859 ( 7.845 13.987 -5.722) 17.027 13.722 ( 1.248 5.581 0.028) 5.719 15.782 ( 9.690 7.032 4.638) 12.840 17.119 ( -4.192 -3.899 -2.604) 6.289 18.439 ( -2.680 -5.675 8.988) 10.962======================= Grid point 4 (5/468) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 15.793 -5.657 -5.305) 17.594 2.047 ( 16.776 -5.411 8.751) 19.680 2.251 ( 4.037 -8.865 -0.111) 9.742 2.677 ( 5.798 -17.015 0.113) 17.976 3.170 ( -8.448 6.333 6.613) 12.458 5.003 ( -2.626 -6.418 -1.619) 7.121 5.795 ( -5.129 -5.869 -0.103) 7.795 6.171 ( -0.962 7.700 -0.750) 7.796 6.670 ( -3.224 -1.862 0.302) 3.736 7.054 ( -2.087 -9.312 -3.382) 10.125 7.517 ( -0.249 3.212 -1.223) 3.446 7.812 ( 6.986 2.026 -2.400) 7.660 8.061 ( -10.732 -6.788 1.437) 12.780 12.793 ( 3.496 5.034 -3.440) 7.028 13.668 ( 1.295 4.235 0.269) 4.437 15.817 ( 6.882 4.948 3.432) 9.144 17.102 ( -2.868 -1.295 -1.334) 3.418 18.501 ( -1.966 -5.164 3.886) 6.755======================= Grid point 5 (6/468) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( 6.706 -2.723 -2.008) 7.511 2.286 ( 8.527 -1.520 4.486) 9.754 2.362 ( -0.710 -3.424 -1.723) 3.898 2.812 ( -1.754 -0.808 -2.653) 3.281 3.099 ( -0.848 -2.245 5.647) 6.136 5.028 ( -1.159 -1.563 -0.687) 2.064 5.851 ( -2.368 -7.627 -0.977) 8.046 6.048 ( 0.484 7.739 0.550) 7.774 6.658 ( -1.371 -0.797 0.123) 1.590 7.127 ( -0.819 -3.678 -1.461) 4.041 7.483 ( 0.007 1.036 -0.200) 1.056 7.857 ( 3.485 1.379 -0.903) 3.855 8.023 ( -4.290 -2.206 0.780) 4.887 12.780 ( 1.113 1.029 -1.095) 1.870 13.639 ( 0.549 1.591 0.151) 1.690 15.838 ( 2.527 1.714 1.278) 3.310 17.082 ( -1.081 -0.223 -0.466) 1.198 18.542 ( -0.707 -2.022 1.084) 2.401======================= Grid point 12 (7/468) =======================q-point: ( 0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.389 ( 13.142 -0.000 8.169) 15.474 0.691 ( 25.564 -0.000 -6.653) 26.415 1.160 ( 37.567 -0.000 21.672) 43.370 1.563 ( 11.086 -0.000 4.489) 11.961 3.831 ( -4.544 0.000 0.201) 4.549 4.574 ( -5.639 0.000 4.808) 7.410 5.824 ( 1.037 -0.000 -0.292) 1.078 6.081 ( -10.949 0.000 -7.596) 13.326 6.580 ( 6.807 -0.000 -13.899) 15.476 6.755 ( -8.745 0.000 -0.489) 8.759 7.244 ( 8.499 -0.000 -0.165) 8.500 7.531 ( 7.928 -0.000 -0.576) 7.948 7.899 ( -2.516 0.000 6.197) 6.688 13.675 ( -10.869 0.000 -27.757) 29.809 14.294 ( 0.936 -0.000 -20.168) 20.190 15.847 ( 9.960 -0.000 2.990) 10.399 16.737 ( 0.435 -0.000 -0.488) 0.653 18.444 ( -13.565 0.000 51.535) 53.291======================= Grid point 13 (8/468) =======================q-point: ( 0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( 8.531 -36.751 4.577) 38.005 1.028 ( 23.309 -2.174 -5.898) 24.142 1.687 ( 29.929 -1.122 16.339) 34.117 1.807 ( 16.248 -7.394 7.814) 19.487 3.692 ( -7.074 8.012 0.378) 10.695 4.568 ( -5.692 -9.430 -0.368) 11.021 5.841 ( -8.142 0.354 4.310) 9.219 6.103 ( -8.320 -19.206 -6.639) 21.959 6.606 ( 1.107 0.612 -3.152) 3.396 6.711 ( -7.434 -7.164 -5.926) 11.904 7.442 ( 3.462 -11.404 -2.258) 12.130 7.651 ( 7.201 -2.121 -0.793) 7.549 7.871 ( -1.738 0.722 2.175) 2.877 13.359 ( -11.060 11.782 -27.151) 31.596 14.088 ( 7.998 21.724 4.193) 23.526 15.949 ( 7.764 3.559 3.362) 9.179 16.863 ( -2.230 -13.098 -2.805) 13.579 18.341 ( -9.857 0.086 24.991) 26.865======================= Grid point 14 (9/468) =======================q-point: ( 0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( 20.037 -2.687 -5.043) 20.836 1.556 ( 7.264 -33.088 3.256) 34.032 2.027 ( 14.611 -4.721 5.789) 16.410 2.236 ( 22.735 -7.452 12.800) 27.134 3.438 ( -9.487 10.939 1.628) 14.571 4.669 ( -5.041 -14.114 -1.784) 15.093 5.721 ( -8.493 0.025 1.968) 8.718 6.220 ( -3.562 -9.003 -1.599) 9.813 6.590 ( -5.183 -3.040 -0.551) 6.034 6.731 ( -3.458 -7.910 -5.496) 10.234 7.573 ( 1.071 -2.048 -1.897) 2.990 7.779 ( -0.703 -8.759 0.271) 8.791 7.863 ( 4.482 1.533 -2.375) 5.299 13.028 ( -6.883 9.432 -16.729) 20.401 13.939 ( 7.271 15.929 5.458) 18.341 15.968 ( 3.405 4.894 2.289) 6.387 16.990 ( -1.552 -8.249 -0.734) 8.426 18.301 ( -7.834 -6.168 10.507) 14.485======================= Grid point 15 (10/468) =======================q-point: ( 0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( 14.767 -1.898 -3.697) 15.341 2.045 ( 6.021 -20.201 3.224) 21.324 2.262 ( 9.473 -3.436 3.737) 10.748 2.628 ( 14.883 -8.226 4.981) 17.720 3.162 ( -9.844 8.599 4.687) 13.885 4.806 ( -4.141 -13.391 -2.026) 14.162 5.645 ( -5.989 -3.530 0.260) 6.957 6.258 ( 1.258 1.646 2.136) 2.976 6.572 ( -4.827 -4.751 -0.103) 6.774 6.817 ( -4.306 -12.326 -4.085) 13.681 7.552 ( -0.645 3.089 -1.568) 3.524 7.828 ( -4.501 -3.965 2.586) 6.532 7.969 ( 8.849 -2.198 -6.154) 11.000 12.841 ( -4.118 3.184 -8.916) 10.325 13.831 ( 5.161 12.433 3.530) 13.917 15.920 ( -1.485 3.716 0.597) 4.046 17.057 ( -0.026 -2.880 1.534) 3.263 18.341 ( -5.977 -10.126 2.891) 12.109======================= Grid point 16 (11/468) =======================q-point: ( 0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 4.639 1.819 -1.258) 5.139 2.268 ( -1.022 -4.307 0.910) 4.519 2.403 ( 5.995 -1.167 3.925) 7.260 2.850 ( 7.691 0.931 -4.271) 8.847 3.021 ( -4.602 -4.442 6.728) 9.283 4.919 ( -2.902 -9.363 -1.597) 9.932 5.676 ( -2.340 -8.563 -0.229) 8.880 6.218 ( 2.941 8.289 4.327) 9.802 6.601 ( -1.228 -4.548 0.638) 4.754 6.940 ( -5.000 -14.087 -3.089) 15.264 7.491 ( -1.661 2.288 -0.748) 2.925 7.810 ( -3.844 -1.165 1.184) 4.188 8.097 ( 9.419 0.277 -5.361) 10.841 12.763 ( -3.597 -0.432 -4.082) 5.458 13.735 ( 2.793 8.945 1.750) 9.533 15.830 ( -6.288 1.182 -1.500) 6.571 17.092 ( 1.905 -0.049 3.044) 3.591 18.423 ( -4.070 -9.793 -0.894) 10.643======================= Grid point 17 (12/468) =======================q-point: (-0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.657 ( -7.971 7.287 2.573) 11.102 2.177 ( -10.225 4.325 -3.756) 11.720 2.451 ( 2.384 4.313 3.869) 6.265 2.904 ( 6.392 2.109 1.380) 6.871 3.080 ( -0.080 -3.991 -5.180) 6.540 4.998 ( -0.885 -5.903 -0.478) 5.988 5.799 ( -0.235 -9.390 -0.458) 9.404 6.143 ( 4.322 8.971 5.523) 11.387 6.659 ( 1.333 -2.913 0.133) 3.206 7.055 ( -3.959 -10.245 -1.379) 11.069 7.451 ( -2.203 -0.765 0.418) 2.369 7.769 ( -3.747 -0.067 1.378) 3.993 8.199 ( 11.189 2.977 -5.005) 12.614 12.716 ( -5.195 -1.542 -1.440) 5.607 13.664 ( 1.032 4.619 0.724) 4.788 15.716 ( -10.167 -1.766 -3.551) 10.913 17.131 ( 3.808 0.943 3.946) 5.564 18.494 ( -2.412 -6.390 -2.889) 7.416======================= Grid point 18 (13/468) =======================q-point: (-0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.377 ( -15.095 9.873 6.385) 19.134 1.878 ( -17.419 8.704 -9.425) 21.633 2.356 ( -1.408 10.267 1.995) 10.553 2.858 ( -1.153 12.260 1.186) 12.371 3.175 ( 7.152 -5.819 -6.528) 11.298 5.059 ( 0.787 -2.117 0.468) 2.307 5.879 ( 0.379 -1.283 -0.920) 1.623 6.156 ( 6.326 0.083 5.947) 8.683 6.711 ( 2.015 -1.092 -1.422) 2.697 7.101 ( -3.102 -2.467 0.202) 3.968 7.463 ( -1.180 -3.962 1.594) 4.430 7.718 ( -3.973 0.374 2.219) 4.566 8.316 ( 14.666 2.993 -3.408) 15.352 12.653 ( -8.290 -2.626 -0.334) 8.703 13.640 ( 0.589 0.262 0.785) 1.016 15.602 ( -11.797 -4.761 -4.767) 13.585 17.181 ( 4.780 1.491 4.101) 6.472 18.522 ( -1.183 -1.831 -4.336) 4.853======================= Grid point 19 (14/468) =======================q-point: (-0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( -17.911 10.568 9.118) 22.708 1.435 ( -21.566 12.060 -14.014) 28.406 2.142 ( -3.619 14.469 0.379) 14.919 2.552 ( -2.891 25.461 -1.663) 25.678 3.368 ( 6.359 -8.309 -2.592) 10.779 5.064 ( 1.377 4.166 0.944) 4.489 5.901 ( 2.766 -0.972 -1.603) 3.341 6.283 ( 5.170 -3.086 5.239) 7.981 6.741 ( 2.225 0.033 -1.874) 2.909 7.043 ( -3.468 3.818 0.132) 5.159 7.534 ( 0.593 -4.744 1.179) 4.924 7.660 ( -4.263 0.093 3.585) 5.571 8.519 ( 21.166 1.599 0.958) 21.248 12.564 ( -13.050 -4.967 -0.711) 13.982 13.675 ( 1.142 -2.871 1.571) 3.466 15.523 ( -10.591 -6.982 -4.638) 13.507 17.228 ( 4.613 2.107 3.698) 6.276 18.497 ( -0.529 2.298 -5.872) 6.328======================= Grid point 20 (15/468) =======================q-point: (-0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.639 ( -17.322 11.005 10.047) 22.850 0.919 ( -19.541 15.413 -15.130) 29.126 1.868 ( -3.048 16.484 0.090) 16.764 2.062 ( -2.449 36.469 -2.087) 36.611 3.558 ( 3.141 -9.368 -0.675) 9.904 4.982 ( 1.142 9.468 0.789) 9.569 5.988 ( 4.070 -4.724 -2.519) 6.725 6.367 ( 1.046 -1.003 3.406) 3.702 6.771 ( 4.909 3.370 1.035) 6.043 6.929 ( -4.875 2.023 -1.448) 5.473 7.528 ( -2.200 3.097 -1.085) 3.951 7.694 ( -0.108 -6.738 4.549) 8.131 8.856 ( 27.625 -1.128 6.472) 28.396 12.421 ( -19.209 -5.323 -2.708) 20.116 13.749 ( 1.314 -4.118 1.777) 4.673 15.502 ( -6.582 -7.482 -2.997) 10.406 17.260 ( 3.707 2.212 3.279) 5.421 18.422 ( -0.552 5.064 -7.047) 8.695======================= Grid point 21 (16/468) =======================q-point: (-0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.324 ( 0.000 12.219 -0.000) 12.219 0.486 ( 0.000 18.395 -0.000) 18.395 1.444 ( 0.000 45.586 -0.000) 45.586 1.622 ( 0.000 14.215 -0.000) 14.215 3.715 ( -0.000 -9.401 0.000) 9.401 4.839 ( 0.000 11.086 -0.000) 11.086 6.102 ( -0.000 -5.653 0.000) 5.653 6.371 ( 0.000 0.207 -0.000) 0.207 6.713 ( 0.000 8.527 -0.000) 8.527 6.919 ( -0.000 -3.896 0.000) 3.896 7.457 ( 0.000 3.402 -0.000) 3.402 7.794 ( -0.000 -5.690 0.000) 5.690 9.224 ( -0.000 -8.746 0.000) 8.746 12.233 ( 0.000 1.974 -0.000) 1.974 13.819 ( -0.000 -3.550 0.000) 3.550 15.553 ( -0.000 -6.320 0.000) 6.320 17.274 ( 0.000 0.914 -0.000) 0.914 18.320 ( 0.000 6.277 -0.000) 6.277======================= Grid point 24 (17/468) =======================q-point: ( 0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.774 ( 12.805 -0.000 7.551) 14.866 1.310 ( 21.383 -0.000 -4.241) 21.800 1.953 ( 14.869 -0.000 5.932) 16.009 2.154 ( 28.776 -0.000 16.848) 33.345 3.654 ( -8.328 0.000 0.164) 8.330 4.402 ( -6.964 0.000 -0.583) 6.989 5.764 ( -10.474 0.000 -1.439) 10.573 5.859 ( 1.489 -0.000 -0.410) 1.544 6.529 ( -7.531 0.000 -0.827) 7.576 6.668 ( 2.644 -0.000 -2.889) 3.916 7.459 ( 7.321 -0.000 -0.293) 7.327 7.707 ( 1.453 -0.000 1.943) 2.426 7.891 ( 3.997 -0.000 -4.315) 5.882 13.178 ( -15.096 0.000 -25.439) 29.581 14.340 ( 4.188 -0.000 3.817) 5.667 16.053 ( 2.846 -0.000 2.267) 3.638 16.751 ( 0.783 -0.000 -0.808) 1.126 18.224 ( -12.517 0.000 17.648) 21.636======================= Grid point 25 (18/468) =======================q-point: ( 0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.198 ( 9.981 -28.767 5.189) 30.889 1.578 ( 18.229 -0.502 -3.069) 18.493 2.178 ( 13.727 -1.808 5.527) 14.908 2.530 ( 20.671 -0.585 12.887) 24.366 3.459 ( -9.695 9.088 0.523) 13.299 4.400 ( -5.775 -11.228 -0.986) 12.665 5.620 ( -7.672 0.977 0.071) 7.735 5.990 ( -0.412 -13.502 -1.209) 13.562 6.449 ( -6.817 -2.357 -0.864) 7.264 6.690 ( 1.250 0.364 -0.155) 1.311 7.573 ( 4.977 -2.295 -0.765) 5.534 7.700 ( -2.407 -1.226 0.857) 2.834 7.953 ( 6.662 0.305 -6.508) 9.318 12.924 ( -12.019 1.816 -18.555) 22.182 14.299 ( 6.950 15.092 6.811) 17.957 16.030 ( -2.778 3.346 0.442) 4.372 16.846 ( 0.680 -9.864 -0.315) 9.892 18.111 ( -11.263 -3.995 8.580) 14.711======================= Grid point 26 (19/468) =======================q-point: ( 0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( 7.106 -23.843 1.285) 24.912 1.795 ( 13.346 -4.637 -0.010) 14.128 2.370 ( 9.740 -0.567 4.000) 10.544 2.770 ( 9.804 -1.080 7.625) 12.467 3.185 ( -7.857 10.666 1.531) 13.336 4.529 ( -4.290 -15.344 -1.239) 15.981 5.542 ( -3.892 -1.400 0.251) 4.144 6.194 ( 0.954 -13.627 0.661) 13.677 6.409 ( -6.012 -4.615 -0.162) 7.581 6.692 ( -0.840 -0.258 0.468) 0.996 7.581 ( -1.286 2.970 -1.670) 3.642 7.742 ( 0.545 -4.099 0.452) 4.160 8.038 ( 6.664 -2.093 -7.891) 10.538 12.750 ( -7.830 -0.425 -10.845) 13.383 14.159 ( 6.985 18.767 5.991) 20.902 15.902 ( -7.954 3.624 -1.521) 8.872 17.001 ( 1.857 -8.000 2.126) 8.484 18.085 ( -9.265 -10.500 1.550) 14.088======================= Grid point 27 (20/468) =======================q-point: ( 0.45 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( 2.453 5.335 -0.729) 5.917 2.182 ( 4.184 -11.707 2.830) 12.750 2.467 ( 4.665 -0.122 1.945) 5.056 2.862 ( -3.789 -5.849 4.053) 8.062 3.022 ( 4.016 6.598 -0.622) 7.749 4.693 ( -3.358 -14.468 -1.376) 14.916 5.567 ( 0.653 -5.081 0.806) 5.186 6.329 ( 1.196 0.403 3.926) 4.124 6.478 ( -1.196 -13.412 1.691) 13.571 6.687 ( -4.450 -5.172 -1.750) 7.044 7.502 ( -2.502 3.320 -1.874) 4.560 7.778 ( 0.219 -0.239 -0.228) 0.397 8.168 ( 7.001 -4.777 -7.664) 11.427 12.665 ( -5.841 -2.046 -5.302) 8.150 13.983 ( 4.553 17.517 3.511) 18.436 15.720 ( -11.585 2.040 -3.144) 12.176 17.124 ( 3.890 -2.898 4.788) 6.816 18.160 ( -7.144 -14.897 -2.778) 16.753======================= Grid point 28 (21/468) =======================q-point: (-0.45 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.689 ( -7.672 11.197 2.397) 13.783 2.148 ( -6.961 9.160 -2.058) 11.688 2.550 ( 4.125 1.407 3.822) 5.797 2.927 ( -2.924 -8.105 1.715) 8.785 3.057 ( 7.458 0.303 -4.605) 8.771 4.842 ( -2.218 -11.924 -0.921) 12.163 5.694 ( 3.210 -7.570 0.999) 8.283 6.308 ( 1.543 4.880 6.030) 7.909 6.629 ( 2.131 -3.435 0.924) 4.147 6.767 ( -6.123 -17.547 -1.926) 18.684 7.424 ( -2.560 1.722 -1.070) 3.265 7.765 ( 0.017 2.025 0.051) 2.026 8.319 ( 8.060 -3.944 -6.682) 11.188 12.604 ( -6.455 -1.578 -2.363) 7.053 13.811 ( 2.041 12.794 1.466) 13.038 15.530 ( -12.826 -0.187 -4.128) 13.476 17.215 ( 5.247 0.298 5.856) 7.868 18.286 ( -4.969 -14.315 -4.408) 15.781======================= Grid point 29 (22/468) =======================q-point: (-0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( -12.011 13.875 5.279) 19.096 1.830 ( -11.579 14.760 -6.902) 19.990 2.505 ( 0.723 9.785 2.705) 10.177 2.957 ( -1.076 2.097 0.405) 2.391 3.178 ( 6.335 -4.636 -4.158) 8.883 4.973 ( -0.761 -9.228 -0.243) 9.262 5.832 ( 2.008 -5.058 0.241) 5.448 6.293 ( 4.621 3.587 7.054) 9.164 6.681 ( -0.956 -3.861 -3.570) 5.344 6.934 ( -3.263 -12.352 0.434) 12.783 7.396 ( -1.575 -2.296 0.739) 2.881 7.724 ( -0.495 3.254 0.725) 3.370 8.479 ( 9.920 -3.508 -4.401) 11.405 12.515 ( -7.978 -0.166 -1.323) 8.088 13.694 ( 0.850 6.048 0.660) 6.143 15.378 ( -10.906 -2.743 -3.932) 11.914 17.281 ( 4.875 1.641 4.969) 7.152 18.401 ( -2.901 -9.892 -4.223) 11.139======================= Grid point 30 (23/468) =======================q-point: (-0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( -10.804 14.960 5.465) 19.245 1.420 ( -9.879 18.571 -7.519) 22.338 2.325 ( -0.921 14.599 0.818) 14.651 2.821 ( -0.828 14.979 -0.384) 15.007 3.324 ( 3.579 -6.695 -1.681) 7.775 5.072 ( 0.165 -4.369 0.125) 4.374 5.889 ( 0.395 -1.994 -0.293) 2.054 6.357 ( 5.207 0.461 5.205) 7.377 6.711 ( -1.284 -4.338 -3.847) 5.939 7.006 ( -2.439 -2.690 0.252) 3.640 7.452 ( -0.188 -6.384 1.257) 6.509 7.663 ( -0.996 3.886 0.884) 4.108 8.686 ( 9.966 -7.140 -0.807) 12.287 12.396 ( -7.468 1.283 -1.082) 7.654 13.664 ( 0.598 -0.124 0.610) 0.863 15.310 ( -6.249 -5.121 -2.473) 8.449 17.316 ( 2.925 1.983 2.760) 4.484 18.466 ( -1.208 -3.812 -2.901) 4.940======================= Grid point 31 (24/468) =======================q-point: (-0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( 0.000 15.077 -0.000) 15.077 1.049 ( 0.000 20.365 -0.000) 20.365 2.088 ( 0.000 16.729 -0.000) 16.729 2.510 ( 0.000 27.107 -0.000) 27.107 3.454 ( -0.000 -8.122 0.000) 8.122 5.084 ( 0.000 3.238 -0.000) 3.238 5.936 ( -0.000 -4.379 0.000) 4.379 6.389 ( 0.000 0.940 -0.000) 0.940 6.776 ( -0.000 -5.640 0.000) 5.640 6.959 ( 0.000 5.727 -0.000) 5.727 7.543 ( -0.000 -2.836 0.000) 2.836 7.614 ( -0.000 -0.923 0.000) 0.923 8.910 ( -0.000 -11.519 0.000) 11.519 12.302 ( 0.000 2.652 -0.000) 2.652 13.701 ( -0.000 -3.605 0.000) 3.605 15.350 ( -0.000 -6.758 0.000) 6.758 17.313 ( 0.000 1.726 -0.000) 1.726 18.466 ( 0.000 1.944 -0.000) 1.944======================= Grid point 36 (25/468) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 11.911 -0.000 5.941) 13.310 1.802 ( 15.666 -0.000 -1.573) 15.745 2.361 ( 12.607 -0.000 5.579) 13.786 2.771 ( 11.048 -0.000 9.636) 14.660 3.401 ( -9.712 0.000 -0.160) 9.713 4.242 ( -3.609 0.000 -0.055) 3.609 5.541 ( -4.735 0.000 -0.845) 4.810 5.895 ( 1.174 -0.000 -0.357) 1.227 6.346 ( -5.659 0.000 -0.972) 5.742 6.714 ( 0.850 -0.000 2.884) 3.007 7.634 ( 5.673 -0.000 -0.298) 5.681 7.651 ( -3.421 0.000 -0.961) 3.553 8.016 ( 4.489 -0.000 -8.716) 9.804 12.743 ( -10.099 0.000 -14.278) 17.489 14.523 ( 7.037 -0.000 7.925) 10.598 15.991 ( -7.252 0.000 -1.113) 7.337 16.771 ( 0.929 -0.000 -0.862) 1.267 17.938 ( -11.336 0.000 4.641) 12.250======================= Grid point 37 (26/468) =======================q-point: ( 0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 9.879 -22.870 3.946) 25.223 1.977 ( 11.484 1.879 -0.463) 11.646 2.514 ( 8.549 1.096 4.379) 9.668 2.847 ( -1.115 1.840 5.938) 6.315 3.230 ( -5.603 5.906 -0.160) 8.143 4.294 ( -1.325 -10.037 0.080) 10.125 5.503 ( -0.248 -0.076 -0.139) 0.294 5.998 ( 0.513 -11.692 -0.301) 11.707 6.292 ( -4.505 -2.319 -0.615) 5.104 6.715 ( -0.039 1.894 4.302) 4.701 7.587 ( -2.782 2.023 -1.956) 3.957 7.726 ( 3.895 -2.575 -0.139) 4.671 8.051 ( 2.368 -1.859 -10.286) 10.717 12.616 ( -6.205 -0.996 -8.270) 10.387 14.524 ( 7.026 14.647 7.264) 17.795 15.825 ( -10.850 4.538 -2.906) 12.114 16.882 ( 1.888 -11.573 0.636) 11.743 17.835 ( -10.041 -5.327 0.451) 11.376======================= Grid point 38 (27/468) =======================q-point: ( 0.45 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 3.904 -7.667 -1.072) 8.670 2.080 ( 7.231 -8.666 4.431) 12.125 2.546 ( 0.583 5.626 0.767) 5.708 2.755 ( -6.160 -0.217 4.246) 7.485 3.144 ( 1.943 3.395 -0.902) 4.014 4.451 ( -1.136 -13.198 -0.351) 13.251 5.545 ( 3.589 -2.531 0.783) 4.461 6.209 ( -1.440 -17.178 -0.044) 17.238 6.289 ( -2.490 -4.010 0.606) 4.758 6.678 ( -0.523 3.437 4.074) 5.355 7.509 ( -2.542 3.085 -2.487) 4.708 7.796 ( 2.733 -0.480 0.038) 2.775 8.119 ( 1.860 -7.197 -9.877) 12.362 12.558 ( -3.886 -1.364 -3.621) 5.484 14.348 ( 4.964 21.654 4.529) 22.673 15.588 ( -12.570 4.280 -3.907) 13.841 17.106 ( 4.969 -10.553 4.508) 12.505 17.829 ( -9.160 -12.796 -3.777) 16.184======================= Grid point 39 (28/468) =======================q-point: (-0.45 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.784 ( -5.125 13.760 0.843) 14.708 2.236 ( -2.198 10.836 0.959) 11.099 2.555 ( 3.053 -12.725 1.076) 13.131 2.760 ( -2.072 -5.454 1.309) 5.979 3.144 ( 3.288 1.440 -1.701) 3.972 4.626 ( -1.247 -13.386 -0.449) 13.451 5.667 ( 5.366 -5.041 1.124) 7.448 6.313 ( -2.470 -4.723 3.044) 6.138 6.435 ( -3.987 -16.300 -1.842) 16.881 6.650 ( 2.126 0.993 3.302) 4.051 7.426 ( -2.073 3.198 -2.051) 4.328 7.811 ( 1.719 2.402 0.112) 2.956 8.267 ( 2.683 -10.942 -7.366) 13.461 12.514 ( -3.840 0.011 -1.325) 4.062 14.090 ( 2.328 20.881 1.909) 21.097 15.370 ( -11.020 2.127 -3.650) 11.802 17.293 ( 6.285 -2.456 6.578) 9.423 17.944 ( -7.124 -19.622 -5.693) 21.637======================= Grid point 40 (29/468) =======================q-point: (-0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( -5.995 16.886 2.040) 18.034 1.952 ( -4.636 17.891 -2.444) 18.642 2.648 ( 1.784 6.348 2.185) 6.946 2.881 ( -0.635 -10.663 -0.630) 10.700 3.189 ( 2.739 -2.296 -1.405) 3.840 4.799 ( -0.734 -12.599 -0.206) 12.622 5.805 ( 3.241 -4.333 0.543) 5.438 6.360 ( 0.930 -2.486 5.104) 5.753 6.536 ( -4.881 -8.894 -4.533) 11.111 6.758 ( 1.907 -9.149 2.079) 9.574 7.367 ( -1.097 0.945 -0.611) 1.572 7.780 ( 0.563 3.918 0.178) 3.962 8.456 ( 3.249 -10.589 -3.600) 11.647 12.445 ( -3.675 1.900 -0.606) 4.182 13.852 ( 0.691 14.490 0.518) 14.516 15.231 ( -6.300 -0.333 -2.181) 6.675 17.373 ( 3.559 1.674 3.846) 5.501 18.148 ( -3.034 -18.300 -3.282) 18.838======================= Grid point 41 (30/468) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( 0.000 17.375 -0.000) 17.375 1.635 ( 0.000 20.057 -0.000) 20.057 2.518 ( 0.000 12.213 -0.000) 12.213 2.941 ( 0.000 2.190 -0.000) 2.190 3.263 ( -0.000 -5.004 0.000) 5.004 4.962 ( -0.000 -10.286 0.000) 10.286 5.867 ( -0.000 -1.955 0.000) 1.955 6.408 ( -0.000 -0.379 0.000) 0.379 6.602 ( -0.000 -6.878 0.000) 6.878 6.908 ( -0.000 -8.779 0.000) 8.779 7.377 ( -0.000 -3.380 0.000) 3.380 7.722 ( 0.000 4.491 -0.000) 4.491 8.623 ( -0.000 -9.240 0.000) 9.240 12.379 ( 0.000 2.712 -0.000) 2.712 13.708 ( 0.000 6.181 -0.000) 6.181 15.207 ( -0.000 -2.787 0.000) 2.787 17.370 ( 0.000 2.198 -0.000) 2.198 18.343 ( -0.000 -11.459 0.000) 11.459======================= Grid point 48 (31/468) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 10.145 -0.000 3.676) 10.790 2.135 ( 8.686 -0.000 -0.133) 8.687 2.615 ( 3.189 -0.000 4.022) 5.133 2.823 ( -6.497 0.000 3.109) 7.202 3.188 ( -4.292 0.000 -0.286) 4.302 4.230 ( 1.783 -0.000 0.685) 1.910 5.526 ( 3.187 -0.000 -0.171) 3.192 5.916 ( 0.497 -0.000 -0.200) 0.535 6.218 ( -3.510 0.000 -0.850) 3.612 6.737 ( -0.527 0.000 5.644) 5.669 7.559 ( -2.607 0.000 -2.277) 3.461 7.760 ( 3.644 -0.000 -0.210) 3.650 8.022 ( -0.677 0.000 -11.023) 11.043 12.538 ( -2.525 0.000 -4.045) 4.769 14.739 ( 5.533 -0.000 6.724) 8.708 15.717 ( -10.307 0.000 -3.310) 10.825 16.792 ( 0.764 -0.000 -0.645) 1.000 17.673 ( -8.407 0.000 -0.462) 8.420======================= Grid point 49 (32/468) =======================q-point: ( 0.45 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 8.090 -19.559 1.746) 21.238 2.167 ( 1.739 6.635 0.746) 6.900 2.619 ( -2.142 3.770 1.076) 4.467 2.693 ( -5.526 1.598 2.474) 6.262 3.169 ( 0.387 -0.549 -0.148) 0.688 4.309 ( 1.432 -6.721 0.377) 6.882 5.584 ( 4.789 -0.765 0.322) 4.860 5.994 ( -0.845 -9.558 -0.254) 9.599 6.200 ( -2.108 -3.271 -0.425) 3.915 6.722 ( -0.804 2.025 4.925) 5.385 7.510 ( -1.876 1.872 -2.292) 3.504 7.823 ( 3.084 -2.060 0.745) 3.783 8.007 ( -1.877 -3.942 -9.839) 10.765 12.517 ( -0.451 0.119 -1.034) 1.135 14.696 ( 3.175 14.936 4.036) 15.795 15.515 ( -8.963 7.699 -3.223) 12.247 16.951 ( 2.685 -17.721 1.479) 17.985 17.591 ( -7.169 -3.194 -2.228) 8.159======================= Grid point 50 (33/468) =======================q-point: (-0.45 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( -0.638 13.370 -0.864) 13.413 2.234 ( 2.652 -23.944 3.839) 24.394 2.428 ( -3.957 11.455 -1.618) 12.227 2.711 ( -0.205 -3.356 1.039) 3.519 3.180 ( 0.832 0.487 -0.365) 1.031 4.446 ( 0.281 -10.376 0.039) 10.380 5.680 ( 4.406 -3.402 0.588) 5.597 6.122 ( -3.310 -11.600 -0.158) 12.064 6.257 ( -0.563 -7.070 -0.125) 7.094 6.695 ( 0.284 1.664 2.786) 3.257 7.448 ( -1.073 3.261 -1.477) 3.737 7.871 ( 2.091 1.803 1.106) 2.974 8.083 ( -1.073 -12.583 -5.914) 13.944 12.499 ( -0.564 1.648 -0.072) 1.743 14.448 ( 1.465 23.129 1.503) 23.224 15.299 ( -6.013 5.838 -2.204) 8.666 17.301 ( 7.504 -15.951 6.244) 18.701 17.564 ( -8.718 -11.006 -6.137) 15.323======================= Grid point 51 (34/468) =======================q-point: (-0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( 0.000 17.518 -0.000) 17.518 2.176 ( 0.000 17.009 -0.000) 17.009 2.629 ( -0.000 -22.605 0.000) 22.605 2.729 ( 0.000 1.514 -0.000) 1.514 3.183 ( -0.000 -0.410 0.000) 0.410 4.612 ( -0.000 -12.381 0.000) 12.381 5.772 ( -0.000 -4.199 0.000) 4.199 6.257 ( -0.000 -10.784 0.000) 10.784 6.368 ( -0.000 -8.652 0.000) 8.652 6.702 ( -0.000 -1.919 0.000) 1.919 7.391 ( 0.000 3.167 -0.000) 3.167 7.842 ( 0.000 3.661 -0.000) 3.661 8.281 ( -0.000 -14.774 0.000) 14.774 12.459 ( 0.000 2.732 -0.000) 2.732 14.124 ( 0.000 21.960 -0.000) 21.960 15.197 ( 0.000 2.224 -0.000) 2.224 17.432 ( 0.000 1.976 -0.000) 1.976 17.798 ( -0.000 -25.723 0.000) 25.723======================= Grid point 60 (35/468) =======================q-point: ( 0.45 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.689 ( 5.022 -0.000 1.227) 5.170 2.247 ( 0.202 -0.000 -0.364) 0.416 2.584 ( -3.199 0.000 1.120) 3.390 2.662 ( -3.139 0.000 0.871) 3.257 3.175 ( 1.217 -0.000 0.226) 1.238 4.284 ( 1.298 -0.000 0.344) 1.343 5.634 ( 3.097 -0.000 0.015) 3.097 5.923 ( 0.076 -0.000 -0.043) 0.087 6.151 ( -1.200 0.000 -0.367) 1.255 6.731 ( -0.941 0.000 3.072) 3.213 7.501 ( -0.966 0.000 -1.423) 1.720 7.827 ( 1.267 -0.000 -0.074) 1.269 7.945 ( -1.359 0.000 -5.273) 5.446 12.525 ( 0.791 -0.000 0.190) 0.813 14.827 ( 0.073 -0.000 1.568) 1.569 15.515 ( -3.076 0.000 -0.983) 3.230 16.805 ( 0.297 -0.000 -0.238) 0.380 17.505 ( -3.327 0.000 -0.796) 3.421======================= Grid point 61 (36/468) =======================q-point: (-0.45 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( -0.000 -20.941 0.000) 20.941 2.143 ( 0.000 12.065 -0.000) 12.065 2.553 ( 0.000 6.401 -0.000) 6.401 2.645 ( -0.000 -3.993 0.000) 3.993 3.188 ( -0.000 -0.196 0.000) 0.196 4.335 ( -0.000 -5.589 0.000) 5.589 5.672 ( -0.000 -2.126 0.000) 2.126 5.970 ( -0.000 -6.367 0.000) 6.367 6.172 ( -0.000 -4.003 0.000) 4.003 6.718 ( 0.000 1.174 -0.000) 1.174 7.479 ( 0.000 1.976 -0.000) 1.976 7.900 ( -0.000 -8.606 0.000) 8.606 7.919 ( 0.000 1.491 -0.000) 1.491 12.522 ( 0.000 1.341 -0.000) 1.341 14.734 ( 0.000 13.294 -0.000) 13.294 15.386 ( 0.000 11.281 -0.000) 11.281 17.003 ( -0.000 -23.902 0.000) 23.902 17.475 ( 0.000 0.824 -0.000) 0.824======================= Grid point 121 (37/468) =======================q-point: ( 0.00 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.303 ( 5.842 -0.000 14.976) 16.075 0.538 ( -6.416 0.000 26.208) 26.982 0.905 ( 13.252 -0.000 42.980) 44.976 1.467 ( 2.622 -0.000 7.185) 7.649 3.882 ( 0.359 -0.000 -1.121) 1.177 5.300 ( 0.096 -0.000 6.343) 6.343 5.784 ( 0.122 -0.000 -2.490) 2.492 6.273 ( -3.168 0.000 -6.384) 7.127 6.689 ( -19.232 0.000 9.431) 21.420 6.972 ( -0.906 0.000 -0.592) 1.082 7.007 ( 0.743 -0.000 -1.721) 1.874 7.571 ( -4.714 0.000 0.973) 4.813 9.312 ( -83.272 0.000 -1.991) 83.296 12.317 ( 46.179 -0.000 -2.775) 46.262 13.905 ( 4.869 -0.000 3.099) 5.771 15.655 ( 2.334 -0.000 0.013) 2.334 16.719 ( -0.202 0.000 -1.206) 1.222 18.338 ( 53.121 -0.000 -2.893) 53.200======================= Grid point 122 (38/468) =======================q-point: ( 0.09 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.533 ( 1.369 -3.223 21.522) 21.805 0.821 ( 6.642 -37.002 7.963) 38.427 1.344 ( 25.925 -5.738 34.947) 43.890 1.618 ( 7.692 -8.368 9.102) 14.561 3.829 ( -2.295 5.117 0.398) 5.622 5.037 ( -11.166 4.984 19.632) 23.129 6.098 ( 1.669 -16.069 -12.669) 20.530 6.258 ( -6.725 -6.593 -3.822) 10.164 6.476 ( -9.758 -2.260 9.236) 13.624 6.895 ( -8.338 -2.730 -3.315) 9.379 7.209 ( 5.225 -12.054 -8.822) 15.825 7.572 ( 0.370 -2.134 3.238) 3.895 8.528 ( -42.539 -10.004 13.742) 45.810 12.730 ( 26.372 14.021 -22.418) 37.345 13.913 ( 7.986 12.035 5.272) 15.376 15.697 ( 9.380 4.125 -0.197) 10.248 16.884 ( -3.873 -17.582 -4.788) 18.629 18.636 ( 11.622 10.564 -6.653) 17.057======================= Grid point 123 (39/468) =======================q-point: ( 0.18 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.750 ( 14.994 -5.036 9.489) 18.445 1.428 ( 9.233 -28.935 8.233) 31.469 1.791 ( 14.388 -8.888 15.449) 22.906 1.968 ( 15.878 -14.199 17.629) 27.650 3.688 ( -5.192 7.483 3.268) 9.677 4.971 ( -8.822 -7.181 14.696) 18.584 6.054 ( -8.246 4.844 3.993) 10.363 6.285 ( -4.037 -4.441 -4.331) 7.401 6.556 ( 0.499 -12.047 -3.522) 12.561 6.818 ( -8.472 -4.057 -5.556) 10.913 7.393 ( 4.906 -6.234 -11.187) 13.714 7.624 ( 3.745 0.106 4.174) 5.609 8.276 ( -23.564 -10.424 6.116) 26.482 12.720 ( 8.799 10.369 -17.026) 21.790 13.833 ( 6.064 12.691 4.256) 14.695 15.767 ( 10.717 5.695 -0.663) 12.154 17.033 ( -3.387 -10.918 -2.184) 11.638 18.570 ( -1.151 3.868 -0.521) 4.069======================= Grid point 124 (40/468) =======================q-point: ( 0.27 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( 18.338 -6.020 3.567) 19.628 1.917 ( 10.888 -17.152 9.430) 22.398 2.091 ( 9.112 -8.317 7.336) 14.354 2.418 ( 11.433 -15.199 12.844) 22.950 3.506 ( -7.289 6.758 6.577) 11.918 5.018 ( -6.586 -9.281 10.072) 15.197 5.884 ( -8.563 2.332 2.478) 9.214 6.256 ( 0.181 3.641 -0.242) 3.654 6.695 ( -2.934 -5.060 1.956) 6.168 6.803 ( -4.433 -12.383 -10.657) 16.928 7.469 ( 3.607 0.528 -7.534) 8.370 7.690 ( 5.774 0.687 1.766) 6.077 8.161 ( -16.131 -8.930 2.180) 18.566 12.670 ( 4.043 3.730 -11.448) 12.701 13.745 ( 4.482 10.188 2.287) 11.363 15.812 ( 8.340 5.837 -1.173) 10.247 17.101 ( -1.981 -4.233 0.410) 4.691 18.525 ( -4.135 -2.677 -0.640) 4.967======================= Grid point 125 (41/468) =======================q-point: ( 0.36 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( 16.499 -6.462 2.106) 17.844 2.232 ( 6.733 -6.699 5.221) 10.838 2.308 ( 7.426 -4.834 7.243) 11.444 2.714 ( 2.834 -9.281 4.302) 10.614 3.344 ( -7.300 3.640 9.171) 12.274 5.075 ( -4.732 -6.382 7.898) 11.203 5.796 ( -5.737 -3.767 0.411) 6.875 6.190 ( 3.018 8.770 2.487) 9.603 6.676 ( -3.974 -1.671 -0.175) 4.315 6.955 ( -1.622 -13.521 -5.764) 14.788 7.471 ( 2.210 2.344 -3.579) 4.815 7.754 ( 6.375 2.106 -1.898) 6.977 8.090 ( -12.144 -7.212 0.713) 14.142 12.680 ( 2.770 -0.843 -7.091) 7.659 13.675 ( 2.884 6.902 0.481) 7.496 15.822 ( 4.315 4.157 -2.481) 6.485 17.116 ( -0.306 -0.138 2.310) 2.335 18.521 ( -4.142 -4.486 -1.923) 6.402======================= Grid point 126 (42/468) =======================q-point: ( 0.45 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 8.679 -4.447 3.045) 10.216 2.316 ( -0.139 0.167 -0.594) 0.633 2.448 ( 4.810 0.498 7.620) 9.025 2.801 ( -1.360 -3.350 1.547) 3.933 3.224 ( -6.900 3.716 6.344) 10.083 5.108 ( -2.410 -3.106 8.080) 8.985 5.830 ( -2.602 -7.384 -0.843) 7.874 6.103 ( 4.657 10.644 4.475) 12.450 6.654 ( -1.097 -0.241 -0.684) 1.315 7.094 ( -0.987 -8.682 -1.751) 8.912 7.461 ( 1.406 1.327 -2.326) 3.024 7.792 ( 5.394 2.905 -4.410) 7.549 8.042 ( -8.913 -5.976 0.682) 10.753 12.725 ( 1.227 -2.682 -4.135) 5.080 13.630 ( 1.261 3.048 -0.921) 3.425 15.800 ( -0.578 1.473 -4.618) 4.882 17.120 ( 1.779 1.486 3.851) 4.495 18.518 ( -3.064 -2.118 -3.303) 4.978======================= Grid point 127 (43/468) =======================q-point: (-0.45 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( -5.225 2.043 2.843) 6.289 2.238 ( -8.150 3.251 0.118) 8.775 2.443 ( -0.155 6.385 5.544) 8.457 2.880 ( 5.182 -6.176 1.341) 8.173 3.027 ( -7.920 11.692 1.413) 14.192 5.139 ( -0.042 -0.808 9.830) 9.864 5.854 ( 0.291 3.524 -0.881) 3.644 6.093 ( 5.023 -0.564 4.856) 7.009 6.651 ( 1.450 0.892 -0.688) 1.836 7.151 ( 0.218 0.612 0.714) 0.965 7.473 ( 0.926 -1.950 -1.438) 2.594 7.797 ( 2.042 2.046 -6.359) 6.986 8.033 ( -3.311 -4.480 1.786) 5.850 12.767 ( -1.309 -4.272 -2.345) 5.046 13.621 ( 0.237 -0.794 -1.626) 1.825 15.748 ( -5.224 -1.601 -6.969) 8.856 17.141 ( 3.707 2.082 4.964) 6.536 18.476 ( -1.671 2.590 -5.108) 5.966======================= Grid point 128 (44/468) =======================q-point: (-0.36 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( -14.067 7.317 -0.751) 15.874 1.999 ( -18.034 5.331 4.941) 19.444 2.293 ( -4.516 10.892 3.903) 12.420 2.671 ( -8.152 22.569 -0.898) 24.013 3.119 ( 10.092 -10.284 2.269) 14.586 5.154 ( 1.288 3.647 12.682) 13.258 5.789 ( 2.965 6.105 -0.944) 6.852 6.226 ( 5.326 -4.928 4.602) 8.592 6.664 ( 2.549 0.948 -0.547) 2.774 7.089 ( 0.832 8.040 0.004) 8.083 7.535 ( 0.457 -4.370 0.608) 4.436 7.761 ( -1.800 0.830 -8.200) 8.436 8.096 ( 5.955 -0.963 5.255) 8.000 12.810 ( -5.318 -8.944 -1.820) 10.563 13.653 ( 0.270 -3.589 -1.491) 3.896 15.683 ( -8.285 -4.531 -8.864) 12.952 17.177 ( 4.900 2.663 5.690) 7.967 18.372 ( -0.265 8.305 -8.121) 11.619======================= Grid point 129 (45/468) =======================q-point: (-0.27 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( -18.161 10.231 -4.932) 21.420 1.645 ( -23.474 6.103 11.628) 26.898 2.042 ( -6.913 13.551 3.673) 15.649 2.162 ( -8.033 32.373 -0.259) 33.356 3.414 ( 8.804 -11.082 3.150) 14.500 5.116 ( 1.863 8.234 16.515) 18.547 5.781 ( 4.941 1.934 -2.650) 5.931 6.370 ( 5.686 -2.560 5.174) 8.103 6.686 ( 2.629 1.183 0.236) 2.893 6.977 ( 0.266 7.156 -1.829) 7.391 7.561 ( -2.232 1.097 -1.264) 2.790 7.722 ( -1.586 -2.610 -8.641) 9.165 8.257 ( 18.785 3.744 14.063) 23.763 12.876 ( -13.498 -18.387 -4.114) 23.178 13.720 ( 0.938 -4.627 -1.033) 4.832 15.622 ( -9.057 -6.145 -9.836) 14.715 17.219 ( 5.630 3.084 6.754) 9.318 18.191 ( 1.343 15.228 -13.425) 20.345======================= Grid point 130 (46/468) =======================q-point: (-0.18 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.750 ( -17.511 11.561 -2.660) 21.151 1.252 ( -22.168 9.786 16.691) 29.424 1.543 ( -9.332 36.560 5.954) 38.200 1.759 ( -6.929 12.933 3.477) 15.078 3.666 ( 5.404 -9.210 2.594) 10.989 5.057 ( 1.798 7.774 21.172) 22.625 5.843 ( 7.007 0.467 -4.714) 8.458 6.452 ( 3.877 2.214 3.504) 5.676 6.693 ( 1.765 2.212 2.233) 3.605 6.917 ( 0.378 0.333 -3.083) 3.124 7.447 ( -4.073 6.142 -6.948) 10.128 7.733 ( -0.602 -1.284 -7.763) 7.891 8.592 ( 36.687 5.977 29.358) 47.366 12.917 ( -33.076 -30.797 -13.905) 47.285 13.794 ( 0.662 -3.991 -1.535) 4.327 15.578 ( -6.753 -5.583 -8.744) 12.379 17.275 ( 5.191 1.511 7.633) 9.354 17.902 ( 6.524 28.010 -19.764) 34.896======================= Grid point 131 (47/468) =======================q-point: (-0.09 0.00 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.467 ( 0.987 8.728 18.759) 20.713 0.759 ( -4.718 38.282 7.210) 39.240 1.005 ( -20.804 9.707 29.314) 37.233 1.531 ( -3.332 9.021 5.080) 10.876 3.826 ( 2.448 -5.160 0.357) 5.722 5.074 ( 2.291 -2.698 24.720) 24.972 5.906 ( 8.685 6.341 -7.212) 12.948 6.402 ( -0.001 8.408 -4.223) 9.408 6.713 ( -2.789 -5.921 4.788) 8.109 6.942 ( 2.392 -0.154 -1.708) 2.943 7.254 ( -3.412 12.418 -10.860) 16.846 7.679 ( -3.372 3.323 -6.745) 8.241 9.277 ( 51.016 -8.486 35.155) 62.534 12.625 ( -71.548 -25.056 -34.478) 83.280 13.840 ( -0.388 -3.286 -1.231) 3.530 15.586 ( -0.990 -5.375 -3.178) 6.322 17.143 ( -12.882 22.828 -19.820) 32.862 17.704 ( 43.331 25.217 13.358) 51.883======================= Grid point 133 (48/468) =======================q-point: ( 0.09 0.09 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.611 ( 10.861 -0.000 12.374) 16.465 0.686 ( 16.986 -0.000 11.041) 20.258 1.704 ( 11.374 -0.000 8.760) 14.356 1.778 ( 28.669 -0.000 32.689) 43.480 3.824 ( -4.291 0.000 -0.903) 4.385 4.911 ( -18.836 0.000 16.398) 24.974 5.790 ( 1.099 -0.000 -3.027) 3.220 6.146 ( -12.258 0.000 9.125) 15.282 6.465 ( 5.526 -0.000 1.046) 5.624 6.740 ( -8.724 0.000 -0.939) 8.774 7.224 ( 8.548 -0.000 -1.689) 8.713 7.617 ( 5.394 -0.000 5.517) 7.716 8.117 ( -17.666 0.000 11.582) 21.124 12.920 ( 0.636 -0.000 -33.052) 33.058 14.204 ( 10.497 -0.000 3.471) 11.056 15.866 ( 10.181 -0.000 -0.297) 10.185 16.715 ( 0.318 -0.000 -1.605) 1.636 18.721 ( -7.310 0.000 -8.036) 10.864======================= Grid point 134 (49/468) =======================q-point: ( 0.18 0.09 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.976 ( 20.931 -2.534 4.611) 21.582 1.060 ( 8.903 -30.370 8.010) 32.646 1.917 ( 12.935 -3.541 8.404) 15.826 2.220 ( 24.420 -1.816 26.036) 35.742 3.706 ( -6.833 5.506 0.669) 8.801 4.760 ( -12.234 -5.772 14.869) 20.102 5.959 ( -4.682 -11.286 -5.039) 13.217 5.977 ( -10.638 -5.830 6.067) 13.563 6.554 ( 6.806 0.155 -0.694) 6.843 6.642 ( -8.335 -2.485 -1.527) 8.831 7.371 ( 7.201 -4.742 -3.587) 9.339 7.704 ( 5.561 0.283 4.305) 7.038 7.968 ( -11.501 -2.735 5.257) 12.938 12.790 ( -4.361 2.943 -25.235) 25.778 14.197 ( 8.800 16.718 6.162) 19.872 15.955 ( 7.019 3.580 -1.882) 8.101 16.823 ( -0.316 -12.293 -1.639) 12.406 18.536 ( -11.306 2.825 -2.598) 11.940======================= Grid point 135 (50/468) =======================q-point: ( 0.27 0.09 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( 20.854 -1.846 2.688) 21.107 1.644 ( 6.388 -31.981 5.107) 33.010 2.160 ( 11.323 -4.306 6.579) 13.786 2.570 ( 17.078 -0.792 17.789) 24.673 3.506 ( -9.048 7.153 4.236) 12.287 4.781 ( -8.386 -11.539 11.056) 18.048 5.791 ( -10.407 1.907 4.613) 11.542 6.174 ( -1.490 -14.662 -3.310) 15.104 6.578 ( -7.277 -4.010 -1.697) 8.480 6.638 ( 4.142 -1.993 -1.400) 4.805 7.499 ( 4.550 -1.683 -4.560) 6.658 7.776 ( 4.761 -0.494 1.410) 4.990 7.890 ( -8.822 -4.383 1.683) 9.994 12.670 ( -3.069 0.010 -16.676) 16.957 14.058 ( 7.720 18.825 5.855) 21.172 15.950 ( 1.818 4.413 -3.306) 5.806 16.991 ( 0.381 -10.042 0.431) 10.058 18.379 ( -10.571 -2.986 -2.142) 11.192======================= Grid point 136 (51/468) =======================q-point: ( 0.36 0.09 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 16.809 -1.654 2.967) 17.149 2.120 ( 4.479 -20.792 4.061) 21.653 2.350 ( 7.166 -2.984 3.859) 8.669 2.766 ( 8.677 1.439 8.336) 12.119 3.301 ( -9.740 4.450 7.578) 13.119 4.878 ( -6.120 -12.109 8.334) 15.922 5.679 ( -6.060 -1.626 3.108) 7.002 6.317 ( 3.623 -2.112 3.263) 5.313 6.562 ( -4.997 -6.223 -1.685) 8.157 6.727 ( -0.998 -8.659 -3.695) 9.467 7.515 ( 0.682 2.373 -2.419) 3.456 7.843 ( -2.225 -0.708 -1.641) 2.854 7.875 ( 1.525 -5.347 -2.075) 5.934 12.639 ( -1.485 -3.171 -9.989) 10.585 13.903 ( 5.453 16.208 3.325) 17.421 15.873 ( -3.466 3.416 -4.627) 6.715 17.111 ( 2.142 -3.932 3.395) 5.619 18.330 ( -8.675 -8.685 -3.773) 12.843======================= Grid point 137 (52/468) =======================q-point: ( 0.45 0.09 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 7.144 1.195 4.429) 8.490 2.303 ( -1.809 -0.560 2.449) 3.096 2.493 ( 4.614 -4.838 3.642) 7.613 2.824 ( 4.600 2.428 1.552) 5.428 3.159 ( -8.301 0.475 6.792) 10.736 4.982 ( -4.236 -9.784 7.384) 12.969 5.695 ( -1.437 -6.486 2.045) 6.951 6.334 ( 4.910 8.255 6.744) 11.735 6.606 ( -0.568 -4.248 -0.468) 4.311 6.860 ( -4.221 -15.818 -4.735) 17.042 7.474 ( -1.360 1.374 -1.295) 2.327 7.807 ( -4.192 -1.487 -1.586) 4.723 7.977 ( 6.713 -1.174 -5.661) 8.860 12.657 ( -1.990 -4.075 -5.808) 7.369 13.761 ( 2.869 11.587 0.748) 11.960 15.747 ( -8.031 1.459 -6.076) 10.176 17.186 ( 4.031 0.232 5.746) 7.023 18.358 ( -6.277 -9.826 -5.208) 12.770======================= Grid point 138 (53/468) =======================q-point: (-0.45 0.09 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( -4.725 6.990 5.114) 9.867 2.158 ( -12.572 6.412 1.823) 14.230 2.553 ( 1.543 5.338 5.833) 8.056 2.902 ( 7.215 -3.878 -2.699) 8.624 3.060 ( -4.324 4.180 4.566) 7.551 5.077 ( -2.286 -7.573 7.860) 11.152 5.800 ( 0.586 -6.751 0.485) 6.794 6.284 ( 5.821 9.114 7.925) 13.408 6.648 ( 0.173 -2.193 -1.300) 2.555 7.019 ( -3.634 -13.284 -2.360) 13.973 7.448 ( -1.625 -1.280 -1.071) 2.329 7.765 ( -3.689 -0.491 -2.503) 4.485 8.077 ( 9.950 0.445 -5.735) 11.493 12.660 ( -4.659 -3.541 -3.777) 6.965 13.662 ( 1.264 5.709 -0.885) 5.914 15.600 ( -10.710 -1.040 -7.102) 12.893 17.244 ( 4.995 1.945 6.585) 8.491 18.400 ( -3.702 -6.425 -5.959) 9.513======================= Grid point 139 (54/468) =======================q-point: (-0.36 0.09 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -9.786 11.967 3.873) 15.936 1.821 ( -21.432 8.081 5.388) 23.530 2.421 ( -2.671 12.085 4.204) 13.071 2.868 ( -3.288 13.681 -0.724) 14.089 3.134 ( 10.078 -7.244 3.166) 12.809 5.164 ( -1.032 -4.819 9.379) 10.595 5.861 ( 0.942 -0.039 -0.851) 1.270 6.306 ( 7.222 2.054 8.344) 11.225 6.671 ( -0.135 -1.861 -2.472) 3.098 7.095 ( -3.633 -3.653 -0.810) 5.216 7.472 ( -0.544 -4.670 -0.904) 4.788 7.702 ( -4.060 1.091 -5.062) 6.580 8.244 ( 15.324 -2.095 -2.439) 15.657 12.613 ( -8.810 -3.569 -3.383) 10.089 13.634 ( 0.966 0.073 -1.535) 1.816 15.473 ( -10.439 -3.680 -7.149) 13.177 17.290 ( 4.424 2.330 5.957) 7.777 18.407 ( -0.952 -0.386 -6.382) 6.464======================= Grid point 140 (55/468) =======================q-point: (-0.27 0.09 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( -8.767 16.543 1.794) 18.808 1.410 ( -25.085 6.652 14.856) 29.904 2.178 ( -4.368 15.185 3.117) 16.105 2.543 ( -1.998 26.221 1.128) 26.321 3.385 ( 7.384 -9.207 3.884) 12.425 5.210 ( -0.978 0.205 12.449) 12.489 5.864 ( 3.161 1.315 -1.937) 3.934 6.410 ( 3.895 -1.576 6.579) 7.807 6.708 ( 2.246 -2.745 -1.228) 3.753 7.027 ( -3.946 4.692 -1.495) 6.310 7.545 ( 0.219 -3.348 0.693) 3.426 7.609 ( -4.925 -0.490 -9.714) 10.902 8.553 ( 20.977 -6.340 2.181) 22.022 12.509 ( -13.720 -4.187 -4.145) 14.932 13.671 ( 0.799 -3.536 -2.123) 4.201 15.405 ( -7.207 -5.625 -6.157) 11.022 17.318 ( 2.452 1.813 4.412) 5.364 18.359 ( 2.555 6.536 -6.612) 9.642======================= Grid point 141 (56/468) =======================q-point: (-0.18 0.09 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( -2.048 16.848 8.892) 19.160 1.043 ( -20.051 5.877 25.139) 32.689 1.899 ( -3.510 16.769 2.578) 17.326 2.081 ( -0.195 35.586 4.387) 35.856 3.599 ( 3.354 -9.050 4.148) 10.505 5.179 ( -2.272 4.743 16.395) 17.218 5.925 ( 6.067 -1.768 -3.440) 7.195 6.451 ( -2.545 -1.809 3.868) 4.970 6.798 ( 5.759 2.220 1.461) 6.343 6.887 ( -4.289 2.471 -2.029) 5.349 7.469 ( -2.219 5.195 -7.395) 9.306 7.637 ( -2.124 -6.003 -5.984) 8.738 8.971 ( 17.291 -12.119 3.276) 21.368 12.340 ( -15.141 -1.343 -4.271) 15.789 13.729 ( -0.424 -4.381 -3.387) 5.554 15.419 ( -1.643 -6.317 -4.236) 7.781 17.314 ( -1.381 1.498 1.233) 2.382 18.283 ( 9.010 11.538 -5.081) 15.496======================= Grid point 142 (57/468) =======================q-point: (-0.09 0.09 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( -10.308 7.218 22.042) 25.381 0.922 ( 12.464 8.962 30.087) 33.777 1.495 ( 1.918 39.109 6.288) 39.658 1.710 ( 2.084 16.128 8.055) 18.147 3.749 ( -0.094 -7.742 2.829) 8.244 5.098 ( -4.970 3.899 19.748) 20.734 6.048 ( 7.685 -2.497 -4.273) 9.140 6.419 ( -5.517 -0.069 1.291) 5.667 6.673 ( -4.672 8.326 -2.034) 9.761 6.934 ( 1.251 -2.587 1.363) 3.181 7.355 ( 0.925 7.153 -12.391) 14.337 7.637 ( -3.408 -0.362 -6.298) 7.170 9.163 ( -25.145 -8.907 -4.478) 27.049 12.253 ( 12.385 -0.033 0.681) 12.403 13.771 ( -0.812 -4.496 -2.587) 5.250 15.524 ( 4.824 -5.924 -1.862) 7.864 17.193 ( -6.718 8.974 -5.456) 12.467 18.333 ( 18.871 4.122 -0.188) 19.317======================= Grid point 145 (58/468) =======================q-point: ( 0.18 0.18 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( 10.757 -0.000 9.260) 14.194 1.281 ( 21.976 -0.000 3.492) 22.252 2.093 ( 13.949 -0.000 7.463) 15.820 2.569 ( 20.146 -0.000 21.095) 29.169 3.647 ( -8.299 0.000 -0.920) 8.350 4.577 ( -11.246 0.000 14.939) 18.699 5.816 ( 1.748 -0.000 -3.648) 4.045 5.828 ( -12.250 0.000 6.658) 13.942 6.515 ( -7.480 0.000 -0.591) 7.503 6.650 ( 6.244 -0.000 1.177) 6.354 7.436 ( 7.503 -0.000 -1.841) 7.726 7.770 ( 0.487 -0.000 4.080) 4.109 7.848 ( -3.776 0.000 -0.872) 3.875 12.671 ( -6.643 0.000 -21.963) 22.946 14.451 ( 7.499 -0.000 6.499) 9.923 16.039 ( 1.620 -0.000 -3.082) 3.482 16.724 ( 0.836 -0.000 -1.784) 1.970 18.360 ( -15.111 0.000 -2.372) 15.296======================= Grid point 146 (59/468) =======================q-point: ( 0.27 0.18 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( 8.687 -25.524 6.170) 27.658 1.574 ( 19.795 0.059 3.797) 20.156 2.300 ( 12.483 -0.924 6.135) 13.940 2.819 ( 12.218 1.363 13.819) 18.496 3.478 ( -9.786 5.651 0.899) 11.336 4.539 ( -8.004 -8.541 13.386) 17.782 5.683 ( -9.407 0.735 5.686) 11.017 5.933 ( 0.988 -13.068 -4.258) 13.780 6.437 ( -6.488 -2.493 -0.299) 6.957 6.717 ( 4.627 1.838 2.728) 5.677 7.540 ( 5.699 -1.049 -2.390) 6.268 7.724 ( -5.803 -1.673 0.931) 6.110 7.857 ( 2.692 0.067 -2.754) 3.851 12.565 ( -4.318 -1.540 -15.361) 16.031 14.443 ( 7.679 15.787 6.920) 18.871 15.982 ( -4.245 3.694 -4.669) 7.312 16.835 ( 1.391 -12.022 -0.783) 12.127 18.164 ( -14.008 -2.113 -2.567) 14.397======================= Grid point 147 (60/468) =======================q-point: ( 0.36 0.18 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( 8.872 -8.908 3.702) 13.106 1.862 ( 12.630 -17.842 4.914) 22.406 2.452 ( 7.868 1.343 3.788) 8.835 2.914 ( 3.722 2.742 6.058) 7.621 3.257 ( -9.367 6.421 4.501) 12.216 4.631 ( -5.563 -12.548 10.755) 17.437 5.597 ( -4.417 -0.940 4.966) 6.712 6.169 ( 1.195 -18.030 -3.326) 18.373 6.409 ( -5.086 -4.473 0.240) 6.777 6.728 ( 1.980 3.709 3.000) 5.166 7.548 ( -1.218 3.072 -1.870) 3.797 7.732 ( -0.617 -4.192 -1.313) 4.435 7.899 ( 3.427 -2.314 -5.195) 6.640 12.538 ( -2.051 -3.647 -9.138) 10.050 14.273 ( 6.266 21.572 4.822) 22.975 15.823 ( -9.180 3.681 -5.733) 11.432 17.050 ( 3.522 -11.485 2.530) 12.276 18.052 ( -11.810 -8.030 -4.380) 14.938======================= Grid point 148 (61/468) =======================q-point: ( 0.45 0.18 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( 3.145 3.598 5.616) 7.374 2.257 ( 4.756 -9.252 4.614) 11.380 2.497 ( 2.904 -1.373 0.551) 3.259 2.890 ( -2.847 0.912 -0.097) 2.991 3.105 ( -2.765 3.574 6.878) 8.230 4.770 ( -4.164 -12.737 8.732) 15.995 5.619 ( 0.522 -4.274 4.075) 5.928 6.408 ( -0.607 -4.689 3.335) 5.786 6.466 ( -0.894 -18.445 -3.582) 18.810 6.679 ( -1.195 4.013 1.394) 4.413 7.469 ( -2.891 2.659 -1.627) 4.251 7.759 ( 0.269 -0.231 -1.427) 1.471 8.009 ( 5.699 -5.553 -7.213) 10.740 12.554 ( -2.227 -3.766 -5.084) 6.707 14.040 ( 3.614 20.201 1.914) 20.611 15.621 ( -11.968 2.306 -6.178) 13.665 17.240 ( 5.641 -4.385 6.208) 9.466 18.061 ( -9.134 -14.331 -6.574) 18.221======================= Grid point 149 (62/468) =======================q-point: (-0.45 0.18 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( -5.582 8.637 8.230) 13.171 2.137 ( -10.023 12.877 0.740) 16.335 2.645 ( 4.235 -0.423 5.562) 7.003 2.873 ( -1.142 -5.803 -4.937) 7.704 3.098 ( 3.307 0.930 6.326) 7.199 4.912 ( -3.035 -11.520 7.653) 14.159 5.732 ( 2.927 -6.146 2.630) 7.298 6.437 ( 0.824 0.628 5.673) 5.767 6.610 ( -3.893 -0.431 -2.648) 4.727 6.732 ( 0.068 -17.308 -1.561) 17.378 7.404 ( -2.544 0.446 -1.307) 2.895 7.746 ( 0.084 1.872 -2.049) 2.777 8.170 ( 8.974 -5.015 -6.918) 12.391 12.544 ( -4.605 -2.030 -3.261) 5.997 13.823 ( 1.555 14.319 -0.210) 14.404 15.425 ( -11.629 0.327 -5.709) 12.959 17.347 ( 4.865 0.971 6.542) 8.210 18.172 ( -4.932 -15.203 -6.291) 17.177======================= Grid point 150 (63/468) =======================q-point: (-0.36 0.18 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( -10.369 10.538 12.904) 19.624 1.754 ( -12.138 17.269 -0.345) 21.111 2.570 ( -1.557 11.001 3.379) 11.613 2.942 ( -0.126 0.118 -1.045) 1.059 3.191 ( 7.078 -3.102 4.728) 9.060 5.049 ( -1.975 -9.931 7.308) 12.487 5.846 ( 1.936 -3.506 1.154) 4.168 6.443 ( 2.299 2.805 6.530) 7.469 6.597 ( -2.398 -4.959 -3.800) 6.692 6.931 ( -1.717 -11.648 -0.852) 11.805 7.388 ( -1.883 -3.010 -2.167) 4.159 7.698 ( -0.664 3.590 -3.343) 4.950 8.378 ( 12.511 -5.603 -4.639) 14.472 12.472 ( -6.909 0.084 -2.715) 7.424 13.686 ( 0.707 6.521 -1.414) 6.710 15.290 ( -8.064 -2.042 -4.265) 9.348 17.379 ( 1.965 2.250 3.947) 4.950 18.311 ( -0.456 -9.936 -4.028) 10.731======================= Grid point 151 (64/468) =======================q-point: (-0.27 0.18 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( -17.624 10.607 15.734) 25.897 1.395 ( 0.651 19.108 6.139) 20.081 2.357 ( -2.457 14.637 2.197) 15.004 2.828 ( -0.236 14.558 1.336) 14.622 3.363 ( 4.857 -6.751 4.999) 9.704 5.164 ( -1.484 -6.530 8.207) 10.592 5.889 ( 0.866 -0.749 0.334) 1.193 6.430 ( -2.767 0.105 0.541) 2.822 6.685 ( 4.310 -5.319 2.517) 7.294 7.002 ( -2.468 -2.276 -0.553) 3.403 7.425 ( -2.093 -6.352 -5.888) 8.910 7.617 ( -0.530 4.980 -3.559) 6.144 8.645 ( 10.975 -9.313 -2.820) 14.668 12.362 ( -5.661 1.799 -2.098) 6.299 13.644 ( 0.169 0.130 -2.457) 2.466 15.257 ( -2.391 -4.330 -2.382) 5.490 17.359 ( -1.126 1.822 1.076) 2.396 18.415 ( 3.004 -2.736 -1.794) 4.442======================= Grid point 152 (65/468) =======================q-point: (-0.18 0.18 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( -11.596 11.733 16.479) 23.317 1.259 ( 11.752 14.703 18.775) 26.586 2.115 ( -0.734 15.914 2.498) 16.125 2.543 ( 1.004 25.854 3.387) 26.094 3.517 ( 0.767 -7.586 5.597) 9.458 5.207 ( -2.566 0.001 10.769) 11.070 5.930 ( 1.680 -3.352 -0.415) 3.772 6.376 ( -5.841 -1.457 -1.316) 6.163 6.825 ( 2.342 -3.758 4.718) 6.470 6.948 ( 0.685 5.917 -1.025) 6.044 7.451 ( -2.510 -3.075 -14.566) 15.097 7.563 ( 0.940 1.075 1.410) 2.007 8.863 ( -2.782 -10.548 -4.173) 11.680 12.296 ( 2.763 2.318 -0.712) 3.676 13.658 ( -0.778 -2.879 -3.626) 4.695 15.341 ( 4.108 -6.107 -0.654) 7.390 17.303 ( -3.583 1.624 -0.887) 4.033 18.469 ( 5.398 2.368 -0.042) 5.894======================= Grid point 153 (66/468) =======================q-point: (-0.09 0.18 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( 0.861 9.685 15.833) 18.580 1.366 ( 20.762 9.173 24.475) 33.380 1.904 ( 3.013 16.618 3.771) 17.305 2.161 ( 4.513 31.259 7.783) 32.528 3.624 ( -2.772 -7.761 5.091) 9.687 5.134 ( -5.203 5.755 13.317) 15.413 6.020 ( -0.193 -6.254 0.431) 6.272 6.324 ( -5.084 -2.462 -1.056) 5.746 6.759 ( -3.248 9.026 -0.213) 9.595 6.932 ( 0.257 1.731 -1.621) 2.385 7.421 ( 2.396 1.547 -15.131) 15.398 7.587 ( 0.378 -1.305 1.367) 1.927 8.749 ( -24.542 1.087 -3.945) 24.881 12.423 ( 14.917 -4.470 -2.730) 15.809 13.690 ( -0.376 -4.510 -2.612) 5.225 15.531 ( 9.590 -6.799 0.150) 11.756 17.204 ( -4.774 4.316 -2.004) 6.741 18.512 ( 5.429 1.413 0.964) 5.692======================= Grid point 157 (67/468) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.260 ( 9.695 -0.000 5.684) 11.238 1.837 ( 17.009 -0.000 5.234) 17.796 2.475 ( 11.363 -0.000 5.305) 12.541 2.960 ( 3.269 -0.000 7.941) 8.587 3.389 ( -9.761 0.000 -1.092) 9.822 4.413 ( -5.103 0.000 15.621) 16.433 5.594 ( -5.835 0.000 5.634) 8.111 5.849 ( 1.710 -0.000 -3.944) 4.299 6.335 ( -5.625 0.000 -0.212) 5.629 6.794 ( 3.084 -0.000 4.517) 5.470 7.612 ( 5.938 -0.000 -1.830) 6.214 7.635 ( -5.139 0.000 -1.127) 5.262 7.874 ( 0.899 -0.000 -4.494) 4.583 12.481 ( -1.951 0.000 -10.592) 10.770 14.683 ( 7.162 -0.000 7.222) 10.171 15.916 ( -8.539 0.000 -5.749) 10.294 16.744 ( 1.170 -0.000 -1.695) 2.060 17.954 ( -13.308 0.000 -2.462) 13.534======================= Grid point 158 (68/468) =======================q-point: ( 0.36 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.563 ( 7.896 -20.737 3.068) 22.400 2.043 ( 12.488 1.160 6.685) 14.212 2.595 ( 6.611 2.690 3.440) 7.923 2.939 ( -5.621 1.987 2.824) 6.596 3.237 ( -6.431 3.450 0.526) 7.317 4.451 ( -2.640 -7.159 14.772) 16.626 5.558 ( -1.218 -0.445 5.285) 5.442 5.951 ( 1.156 -11.696 -4.106) 12.449 6.288 ( -4.430 -3.081 0.123) 5.398 6.808 ( 0.427 2.704 4.011) 4.856 7.555 ( -2.959 2.451 -1.319) 4.063 7.709 ( 4.475 -3.002 -1.335) 5.552 7.879 ( 0.342 -1.750 -5.857) 6.122 12.469 ( 0.294 -1.708 -5.678) 5.937 14.656 ( 5.515 16.646 5.231) 18.299 15.728 ( -11.222 4.765 -6.145) 13.653 16.889 ( 2.699 -15.608 0.102) 15.840 17.802 ( -11.356 -2.966 -3.209) 12.167======================= Grid point 159 (69/468) =======================q-point: ( 0.45 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( 2.745 -9.213 1.633) 9.750 2.211 ( 7.959 -9.078 8.058) 14.515 2.549 ( -3.077 8.763 -0.524) 9.302 2.817 ( -6.447 0.056 1.891) 6.719 3.160 ( 0.188 2.282 2.117) 3.118 4.577 ( -2.077 -10.179 12.475) 16.234 5.600 ( 2.594 -2.624 4.450) 5.781 6.161 ( -1.260 -17.249 -4.484) 17.867 6.304 ( -2.772 -5.756 0.687) 6.425 6.751 ( -1.445 4.262 2.014) 4.930 7.477 ( -1.763 3.542 -0.367) 3.974 7.791 ( 3.699 0.457 -0.370) 3.745 7.946 ( 2.414 -8.148 -6.471) 10.681 12.492 ( 0.037 -1.425 -2.681) 3.036 14.418 ( 3.083 23.865 2.107) 24.155 15.488 ( -11.651 4.275 -5.469) 13.563 17.202 ( 6.498 -15.765 4.632) 17.670 17.725 ( -10.627 -9.093 -5.996) 15.218======================= Grid point 160 (70/468) =======================q-point: (-0.45 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( -5.392 9.529 6.772) 12.874 2.255 ( -5.403 16.330 0.421) 17.206 2.589 ( 3.977 -19.514 2.331) 20.051 2.778 ( -2.419 0.163 0.893) 2.584 3.163 ( 2.449 0.527 3.013) 3.919 4.726 ( -2.111 -11.169 10.081) 15.193 5.711 ( 4.303 -4.588 3.181) 7.049 6.339 ( -5.486 -13.511 -3.057) 14.900 6.383 ( -1.737 -8.894 -0.775) 9.095 6.696 ( 0.253 0.634 0.344) 0.764 7.408 ( -0.761 3.549 0.430) 3.655 7.796 ( 1.879 3.117 -1.625) 3.986 8.142 ( 6.473 -11.141 -4.030) 13.501 12.482 ( -2.036 0.508 -1.737) 2.724 14.108 ( 1.127 22.130 -0.123) 22.159 15.291 ( -8.573 2.153 -3.682) 9.575 17.425 ( 4.287 -0.574 5.590) 7.068 17.816 ( -5.426 -22.195 -6.149) 23.662======================= Grid point 161 (71/468) =======================q-point: (-0.36 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( -9.218 13.307 10.078) 19.068 1.945 ( -1.660 18.378 1.632) 18.525 2.690 ( -1.878 7.513 1.331) 7.858 2.869 ( 1.312 -11.295 0.572) 11.386 3.228 ( 3.225 -2.942 4.482) 6.257 4.880 ( -1.726 -11.407 7.962) 14.018 5.828 ( 2.244 -3.664 1.799) 4.658 6.386 ( -6.795 -5.645 -4.233) 9.796 6.497 ( 1.984 -8.400 1.931) 8.845 6.763 ( -0.527 -8.709 -1.789) 8.907 7.362 ( -0.093 1.981 -0.004) 1.983 7.755 ( 0.738 4.407 -2.338) 5.043 8.396 ( 8.177 -10.116 -1.857) 13.140 12.422 ( -2.564 2.295 -1.578) 3.785 13.843 ( 0.167 14.982 -1.295) 15.038 15.192 ( -2.962 -0.116 -1.420) 3.287 17.417 ( -1.881 2.108 0.138) 2.828 18.103 ( 1.759 -18.884 -0.781) 18.981======================= Grid point 162 (72/468) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( -6.758 15.112 11.182) 19.977 1.724 ( 5.972 16.882 8.293) 19.734 2.521 ( -2.191 11.504 0.248) 11.714 2.949 ( 0.264 1.748 1.161) 2.115 3.334 ( 1.462 -5.107 6.190) 8.157 5.036 ( -0.963 -10.314 6.899) 12.446 5.878 ( -0.404 -1.827 1.059) 2.150 6.336 ( -6.407 -1.690 -5.267) 8.465 6.677 ( 5.183 -7.318 5.273) 10.403 6.879 ( -1.981 -10.085 -3.317) 10.800 7.347 ( -0.032 -0.288 -3.084) 3.098 7.687 ( 0.526 5.154 -2.183) 5.622 8.612 ( 3.657 -7.750 -1.053) 8.634 12.368 ( 1.363 2.633 -1.062) 3.149 13.685 ( -0.230 6.667 -2.120) 7.000 15.212 ( 3.307 -2.485 0.482) 4.164 17.345 ( -4.176 1.471 -2.190) 4.939 18.359 ( 3.733 -10.931 1.290) 11.622======================= Grid point 163 (73/468) =======================q-point: (-0.18 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.075 ( 1.204 14.684 10.492) 18.088 1.673 ( 13.930 12.187 15.809) 24.341 2.324 ( -0.310 12.934 0.695) 12.956 2.846 ( 0.680 13.431 2.213) 13.629 3.425 ( -1.916 -5.872 7.399) 9.638 5.156 ( -1.461 -5.544 7.640) 9.552 5.901 ( -0.102 -2.171 0.847) 2.333 6.251 ( -7.296 -1.574 -4.777) 8.862 6.803 ( -0.636 -3.241 4.210) 5.351 6.993 ( 3.413 -4.116 -0.888) 5.420 7.353 ( 0.212 -2.427 -9.247) 9.562 7.627 ( 1.344 4.020 -0.554) 4.274 8.674 ( -7.512 -3.861 -1.777) 8.631 12.399 ( 7.737 1.185 -0.950) 7.885 13.625 ( -0.518 0.834 -2.872) 3.035 15.352 ( 8.879 -4.923 1.537) 10.268 17.260 ( -4.863 0.980 -2.345) 5.488 18.517 ( 3.421 -3.802 1.649) 5.374======================= Grid point 164 (74/468) =======================q-point: (-0.09 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.986 ( 11.046 11.301 7.113) 17.330 1.799 ( 18.325 7.208 18.999) 27.363 2.162 ( 3.237 12.240 2.387) 12.884 2.615 ( 2.860 21.655 4.722) 22.347 3.481 ( -4.909 -6.266 7.604) 11.008 5.160 ( -3.873 2.694 9.199) 10.338 5.928 ( -2.628 -2.400 0.953) 3.684 6.201 ( -4.326 -5.073 -2.603) 7.157 6.787 ( -3.875 1.191 2.465) 4.744 7.003 ( 0.496 7.286 -4.629) 8.646 7.405 ( 3.326 -3.807 -10.435) 11.595 7.622 ( 3.165 0.821 1.466) 3.584 8.500 ( -17.238 3.639 -1.262) 17.664 12.530 ( 10.020 -2.368 -3.909) 11.013 13.630 ( 0.337 -2.898 -2.104) 3.596 15.581 ( 11.402 -6.433 1.040) 13.132 17.180 ( -4.107 1.307 -1.015) 4.427 18.570 ( 1.017 0.844 0.915) 1.608======================= Grid point 169 (75/468) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( 8.034 -0.000 1.864) 8.248 2.210 ( 7.932 -0.000 6.910) 10.520 2.679 ( 0.891 -0.000 2.108) 2.288 2.857 ( -8.893 0.000 0.264) 8.897 3.181 ( -3.462 0.000 -0.399) 3.485 4.417 ( -0.366 0.000 16.878) 16.882 5.572 ( 1.982 -0.000 4.605) 5.014 5.873 ( 1.212 -0.000 -3.839) 4.025 6.211 ( -3.409 0.000 0.107) 3.411 6.816 ( -2.779 0.000 0.805) 2.894 7.544 ( -1.299 0.000 1.625) 2.080 7.740 ( 3.960 -0.000 -1.721) 4.318 7.859 ( 0.574 -0.000 -4.557) 4.593 12.470 ( 2.264 -0.000 -2.352) 3.264 14.848 ( 2.255 -0.000 3.552) 4.207 15.628 ( -8.659 0.000 -4.980) 9.989 16.770 ( 1.153 -0.000 -1.381) 1.799 17.645 ( -8.481 0.000 -1.959) 8.705======================= Grid point 170 (76/468) =======================q-point: ( 0.45 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( 6.209 -17.495 -0.425) 18.569 2.253 ( 0.011 3.968 6.684) 7.773 2.624 ( -4.134 6.329 -0.531) 7.578 2.733 ( -5.469 -0.937 1.580) 5.770 3.173 ( 0.578 -0.611 0.354) 0.912 4.482 ( -0.692 -4.707 15.979) 16.672 5.626 ( 3.691 -1.137 3.899) 5.488 5.949 ( -0.163 -9.112 -4.009) 9.956 6.201 ( -2.024 -3.682 0.370) 4.217 6.749 ( -4.325 1.439 -3.083) 5.502 7.518 ( -0.172 3.006 3.562) 4.664 7.838 ( 4.231 -6.883 -0.263) 8.084 7.865 ( 1.669 0.849 -2.711) 3.295 12.497 ( 1.618 0.373 -0.922) 1.899 14.747 ( 0.118 15.383 0.911) 15.411 15.443 ( -6.393 8.708 -3.563) 11.375 16.967 ( 2.406 -22.267 -0.051) 22.396 17.546 ( -6.108 -0.050 -1.815) 6.372======================= Grid point 171 (77/468) =======================q-point: (-0.45 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( 0.414 6.667 2.589) 7.164 2.271 ( -4.246 -16.968 -0.859) 17.512 2.435 ( -0.928 9.360 3.076) 9.896 2.745 ( -1.448 -3.279 2.223) 4.218 3.190 ( 0.916 -0.231 1.048) 1.411 4.587 ( -1.675 -7.889 13.330) 15.580 5.717 ( 3.186 -3.258 3.090) 5.506 6.076 ( -2.390 -11.776 -4.122) 12.703 6.261 ( -0.671 -6.819 0.281) 6.857 6.673 ( -3.088 0.199 -4.834) 5.739 7.473 ( 0.523 4.370 3.692) 5.745 7.856 ( 0.733 2.029 -2.580) 3.363 8.052 ( 6.594 -11.504 3.032) 13.602 12.487 ( -0.233 1.976 -1.066) 2.257 14.454 ( -0.439 23.561 -0.992) 23.586 15.261 ( -2.685 5.815 -1.289) 6.534 17.381 ( -1.354 -28.352 -2.804) 28.522 17.473 ( 0.250 0.923 1.715) 1.963======================= Grid point 172 (78/468) =======================q-point: (-0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( -2.014 15.918 6.602) 17.350 2.183 ( 0.796 13.519 0.348) 13.547 2.620 ( -2.234 -17.706 -0.611) 17.857 2.754 ( -0.628 -1.220 2.310) 2.686 3.223 ( 0.947 -2.276 3.531) 4.306 4.719 ( -1.552 -10.356 10.157) 14.588 5.789 ( -1.469 -3.808 1.653) 4.404 6.206 ( -0.608 -9.030 -4.011) 9.900 6.380 ( 1.156 -10.374 -0.029) 10.439 6.650 ( -2.448 -3.371 -4.607) 6.211 7.427 ( 1.241 4.538 3.280) 5.735 7.817 ( 0.140 3.441 -1.985) 3.975 8.326 ( 5.955 -12.177 4.081) 14.157 12.446 ( 0.478 2.659 -1.202) 2.957 14.104 ( -1.112 21.700 -1.985) 21.818 15.208 ( 3.192 2.332 1.037) 4.087 17.371 ( -6.605 -0.833 -4.967) 8.306 17.846 ( 6.132 -22.930 3.718) 24.025======================= Grid point 173 (79/468) =======================q-point: (-0.27 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 1.986 16.967 7.316) 18.583 2.040 ( 5.958 12.683 5.708) 15.130 2.606 ( -3.740 5.263 -1.847) 6.715 2.891 ( -0.124 -9.865 0.705) 9.891 3.281 ( -1.223 -3.912 6.742) 7.890 4.885 ( -0.089 -11.468 7.886) 13.918 5.806 ( -4.085 -4.530 0.761) 6.147 6.249 ( -1.652 -0.200 -5.080) 5.346 6.617 ( 5.871 -14.231 1.721) 15.490 6.678 ( -3.745 -7.767 -4.682) 9.812 7.391 ( 1.693 3.947 1.745) 4.636 7.758 ( 0.088 4.246 -1.413) 4.475 8.529 ( 0.346 -7.616 3.303) 8.309 12.444 ( 4.763 1.693 -0.733) 5.108 13.822 ( -1.169 14.099 -2.287) 14.331 15.276 ( 8.430 -0.176 2.193) 8.713 17.281 ( -5.953 0.109 -4.524) 7.478 18.218 ( 4.899 -16.945 3.030) 17.897======================= Grid point 174 (80/468) =======================q-point: (-0.18 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.380 ( 7.811 15.580 6.040) 18.446 2.018 ( 10.554 8.120 10.535) 16.980 2.462 ( -1.983 7.972 -1.400) 8.334 2.950 ( -0.788 1.105 0.381) 1.410 3.325 ( -3.956 -5.004 8.907) 10.955 5.056 ( 0.209 -8.780 7.387) 11.476 5.837 ( -2.149 -6.000 0.779) 6.421 6.167 ( -4.263 3.646 -5.088) 7.574 6.716 ( -3.243 -5.417 -1.188) 6.424 6.923 ( 6.257 -13.458 -0.217) 14.843 7.367 ( 2.081 2.799 -1.931) 3.987 7.699 ( 0.741 4.046 -0.907) 4.212 8.542 ( -7.902 -0.581 1.719) 8.108 12.520 ( 8.275 0.534 -0.985) 8.350 13.661 ( -0.712 6.110 -2.377) 6.595 15.441 ( 11.640 -2.768 2.083) 12.145 17.194 ( -5.057 0.179 -3.073) 5.920 18.467 ( 2.931 -9.370 1.872) 9.995======================= Grid point 175 (81/468) =======================q-point: (-0.09 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.335 ( 13.239 11.771 3.546) 18.067 2.123 ( 12.564 3.486 12.358) 17.964 2.339 ( 1.131 7.511 0.636) 7.622 2.856 ( -1.159 9.264 1.357) 9.434 3.351 ( -5.311 -4.540 9.578) 11.856 5.140 ( -2.137 -1.851 7.812) 8.308 5.896 ( -0.916 -0.347 0.489) 1.095 6.069 ( -3.547 -3.574 -2.318) 5.543 6.724 ( -3.612 -2.246 -0.592) 4.294 7.087 ( 2.065 1.553 -1.088) 2.804 7.391 ( 4.161 -2.493 -5.478) 7.317 7.678 ( 2.906 1.107 -0.665) 3.180 8.360 ( -13.231 5.013 0.856) 14.175 12.623 ( 7.278 0.045 -3.176) 7.941 13.611 ( 0.398 0.082 -1.842) 1.886 15.655 ( 10.570 -4.438 0.371) 11.470 17.134 ( -3.135 -0.264 -0.420) 3.174 18.570 ( -0.054 -1.928 0.157) 1.935======================= Grid point 181 (82/468) =======================q-point: ( 0.45 0.45 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 3.362 -0.000 -1.508) 3.684 2.305 ( -0.950 0.000 5.036) 5.125 2.584 ( -4.613 0.000 -1.070) 4.735 2.675 ( -3.406 0.000 0.935) 3.533 3.180 ( 0.963 -0.000 0.233) 0.991 4.469 ( -1.681 0.000 16.809) 16.893 5.669 ( 2.409 -0.000 3.557) 4.296 5.883 ( 0.698 -0.000 -3.694) 3.759 6.155 ( -0.825 0.000 0.660) 1.056 6.685 ( -4.292 0.000 -7.044) 8.248 7.552 ( -0.084 0.000 5.728) 5.729 7.809 ( 1.608 -0.000 -1.550) 2.234 7.931 ( 5.330 -0.000 3.825) 6.561 12.518 ( 0.745 -0.000 -0.852) 1.131 14.835 ( -1.998 0.000 -0.710) 2.120 15.485 ( -1.287 0.000 -1.922) 2.313 16.792 ( 0.758 -0.000 -0.945) 1.211 17.495 ( -2.105 0.000 -0.102) 2.107======================= Grid point 182 (83/468) =======================q-point: (-0.45 0.45 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( -0.571 -19.693 -3.162) 19.953 2.204 ( -1.215 11.583 5.055) 12.696 2.541 ( -0.242 4.359 -1.158) 4.517 2.658 ( -2.113 -4.448 1.456) 5.135 3.190 ( -0.155 -0.648 0.188) 0.692 4.499 ( -3.014 -4.210 15.119) 15.981 5.703 ( -0.832 -1.643 3.260) 3.744 5.933 ( 0.942 -6.469 -3.563) 7.445 6.181 ( 0.288 -3.690 0.806) 3.788 6.623 ( -2.013 0.177 -7.877) 8.132 7.542 ( 0.378 2.650 5.061) 5.725 7.842 ( -0.415 -2.123 -2.571) 3.360 8.052 ( 7.253 -3.939 9.673) 12.715 12.507 ( -0.283 1.294 -1.356) 1.896 14.710 ( -2.134 13.646 -2.376) 14.015 15.386 ( 2.521 10.189 0.100) 10.497 16.978 ( -1.388 -21.415 -2.221) 21.574 17.494 ( 2.264 -1.082 1.675) 3.018======================= Grid point 183 (84/468) =======================q-point: (-0.36 0.45 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.015 ( 1.656 15.444 5.761) 16.567 2.141 ( -4.595 -21.547 -4.886) 22.566 2.468 ( 2.837 4.608 1.902) 5.736 2.698 ( -2.819 -3.675 -0.420) 4.651 3.208 ( -0.044 -1.747 2.164) 2.781 4.578 ( -2.591 -8.647 12.132) 15.122 5.694 ( -4.985 -2.423 2.167) 5.951 6.090 ( 3.862 -11.098 -2.913) 12.107 6.260 ( 0.261 -6.351 -0.332) 6.365 6.592 ( -0.523 -0.137 -5.961) 5.985 7.516 ( 1.262 3.801 4.433) 5.975 7.836 ( -1.162 0.514 -2.043) 2.406 8.258 ( 4.959 -8.641 10.418) 14.415 12.490 ( 1.828 1.361 -0.896) 2.449 14.393 ( -3.441 22.076 -3.856) 22.672 15.347 ( 8.092 5.521 2.387) 10.083 17.175 ( -6.437 -11.559 -5.692) 14.402 17.675 ( 7.510 -14.577 4.427) 16.985======================= Grid point 184 (85/468) =======================q-point: (-0.27 0.45 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 4.405 15.633 6.333) 17.432 2.218 ( -0.411 1.276 -1.042) 1.698 2.542 ( -2.544 -5.506 -0.062) 6.066 2.723 ( -1.039 -8.918 -2.336) 9.277 3.229 ( -2.420 -1.526 6.001) 6.648 4.735 ( 0.147 -12.209 9.543) 15.497 5.670 ( -5.383 -4.192 1.651) 7.019 6.250 ( 2.822 -0.878 -2.625) 3.953 6.405 ( 0.037 -15.993 -5.524) 16.921 6.607 ( 2.052 -3.239 0.027) 3.834 7.486 ( 1.896 4.442 3.621) 6.037 7.797 ( -0.948 2.097 -1.169) 2.581 8.425 ( -1.269 -7.043 7.753) 10.551 12.532 ( 6.152 0.232 0.231) 6.161 14.031 ( -3.360 19.142 -3.700) 19.784 15.433 ( 11.355 2.205 2.399) 11.813 17.171 ( -5.601 -3.002 -4.919) 8.037 18.036 ( 5.911 -18.810 2.956) 19.938======================= Grid point 185 (86/468) =======================q-point: (-0.18 0.45 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( 7.176 13.967 5.471) 16.628 2.209 ( 3.618 1.982 2.995) 5.098 2.489 ( -4.018 2.336 -1.831) 4.995 2.876 ( -0.516 -8.875 -2.390) 9.206 3.210 ( -6.519 -3.249 8.908) 11.507 4.946 ( 1.977 -11.037 8.772) 14.236 5.696 ( -2.801 -7.409 1.401) 8.044 6.203 ( -1.193 6.262 -4.099) 7.579 6.571 ( -1.451 -8.943 -4.645) 10.182 6.809 ( 6.867 -14.048 2.041) 15.769 7.453 ( 2.137 4.607 1.713) 5.360 7.752 ( -0.038 2.681 -1.059) 2.883 8.433 ( -7.911 -0.900 4.486) 9.139 12.632 ( 7.909 0.160 0.158) 7.913 13.764 ( -2.229 11.327 -2.959) 11.918 15.584 ( 11.639 -0.292 0.968) 11.682 17.122 ( -3.875 -0.824 -2.797) 4.850 18.342 ( 3.236 -13.898 0.921) 14.299======================= Grid point 186 (87/468) =======================q-point: (-0.09 0.45 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 8.699 10.108 3.739) 13.850 2.272 ( 4.606 -1.152 3.005) 5.619 2.413 ( -0.764 2.384 1.642) 2.994 2.889 ( -3.392 1.965 0.002) 3.920 3.216 ( -6.566 -7.116 7.689) 12.364 5.097 ( 0.266 -4.402 8.795) 9.839 5.820 ( 1.019 -10.016 1.538) 10.184 6.061 ( -2.157 7.597 -2.473) 8.275 6.642 ( -0.937 -4.173 -1.768) 4.628 7.080 ( 4.416 -8.505 0.990) 9.634 7.429 ( 2.678 2.237 -1.972) 4.008 7.729 ( 2.217 1.293 -2.130) 3.335 8.272 ( -11.358 4.956 2.314) 12.606 12.714 ( 5.385 1.382 -1.663) 5.803 13.634 ( -0.532 3.721 -2.117) 4.314 15.734 ( 7.445 -1.619 -1.700) 7.807 17.094 ( -1.321 -0.922 0.479) 1.680 18.512 ( 0.211 -6.227 -1.195) 6.344======================= Grid point 193 (88/468) =======================q-point: (-0.45 -0.45 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.639 ( -6.124 0.000 -3.489) 7.048 2.333 ( -0.015 0.000 7.659) 7.659 2.537 ( 1.570 -0.000 -3.372) 3.719 2.629 ( 0.829 -0.000 -2.436) 2.573 3.171 ( -1.268 0.000 -0.174) 1.280 4.446 ( -4.550 0.000 14.812) 15.495 5.673 ( -3.220 0.000 4.308) 5.379 5.884 ( 0.468 -0.000 -3.814) 3.842 6.171 ( 1.596 -0.000 1.488) 2.182 6.600 ( 0.604 -0.000 -8.060) 8.082 7.575 ( 0.473 -0.000 4.720) 4.744 7.813 ( -0.923 0.000 -1.341) 1.628 8.142 ( 6.166 -0.000 13.099) 14.478 12.512 ( 0.462 -0.000 -1.062) 1.158 14.766 ( -3.473 0.000 -4.347) 5.564 15.529 ( 5.342 -0.000 0.510) 5.366 16.802 ( 0.144 -0.000 -0.513) 0.533 17.524 ( 3.596 -0.000 0.920) 3.712======================= Grid point 194 (89/468) =======================q-point: (-0.36 -0.45 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( -8.769 -21.191 -3.696) 23.229 2.233 ( -2.275 9.481 6.784) 11.879 2.581 ( -1.027 -1.537 -2.442) 3.063 2.625 ( 3.980 3.576 -4.358) 6.901 3.180 ( 0.240 -2.140 0.849) 2.314 4.451 ( -4.140 -5.819 12.980) 14.815 5.622 ( -4.456 0.554 4.527) 6.376 5.958 ( 1.192 -9.829 -3.556) 10.520 6.220 ( 2.263 -2.244 1.356) 3.464 6.598 ( 1.866 0.756 -6.017) 6.345 7.582 ( 1.253 1.834 4.235) 4.782 7.800 ( -2.143 -1.222 -1.496) 2.885 8.258 ( 3.015 -2.948 13.908) 14.534 12.537 ( 4.107 0.122 0.763) 4.179 14.586 ( -5.903 13.921 -6.351) 16.401 15.569 ( 9.725 6.439 1.909) 11.819 16.914 ( -2.037 -13.020 -1.953) 13.322 17.627 ( 5.925 -6.242 1.032) 8.668======================= Grid point 195 (90/468) =======================q-point: (-0.27 -0.45 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( -7.458 -24.047 -1.949) 25.253 2.077 ( -3.518 7.797 5.622) 10.236 2.522 ( -4.327 2.174 -1.596) 5.099 2.643 ( 4.138 -0.314 -6.594) 7.791 3.199 ( -1.895 0.475 4.164) 4.600 4.575 ( -0.342 -12.438 10.784) 16.465 5.579 ( -3.058 -0.920 4.535) 5.546 6.161 ( 1.116 -15.851 -4.586) 16.539 6.282 ( 2.769 -0.956 0.017) 2.930 6.615 ( 2.927 -0.644 -1.680) 3.436 7.574 ( 1.750 3.224 3.748) 5.244 7.782 ( -2.257 -0.877 -1.414) 2.804 8.338 ( -2.759 -3.669 11.078) 11.992 12.629 ( 8.462 -0.222 2.906) 8.950 14.239 ( -6.124 19.110 -5.934) 20.926 15.640 ( 11.207 4.161 1.023) 11.998 17.025 ( -3.245 -7.652 -3.079) 8.864 17.871 ( 5.994 -15.052 0.261) 16.204======================= Grid point 196 (91/468) =======================q-point: (-0.18 -0.45 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( -3.355 6.966 6.201) 9.911 2.134 ( -3.649 -14.289 -1.731) 14.848 2.433 ( -5.811 -0.467 -1.235) 5.959 2.737 ( 2.500 -8.225 -7.251) 11.246 3.120 ( -6.934 3.017 7.648) 10.755 4.818 ( 3.075 -14.200 10.181) 17.741 5.595 ( -0.335 -3.708 3.788) 5.311 6.251 ( -1.626 1.785 -3.826) 4.524 6.427 ( 4.485 -10.703 -2.710) 11.917 6.730 ( 5.121 -8.777 2.112) 10.379 7.550 ( 1.673 4.317 2.781) 5.401 7.762 ( -1.067 -0.126 -1.848) 2.137 8.320 ( -7.961 -1.252 7.183) 10.795 12.755 ( 8.899 1.357 2.949) 9.473 13.900 ( -4.761 14.814 -4.417) 16.175 15.739 ( 9.124 1.995 -1.389) 9.442 17.054 ( -1.846 -2.832 -1.684) 3.777 18.170 ( 3.681 -16.027 -1.759) 16.538======================= Grid point 197 (92/468) =======================q-point: (-0.09 -0.45 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( -4.746 3.221 3.739) 6.847 2.244 ( -1.536 -6.039 -1.309) 6.367 2.387 ( -3.734 -2.817 2.465) 5.287 2.876 ( 1.913 -6.298 -6.806) 9.468 2.999 ( -9.915 -2.361 9.418) 13.877 5.050 ( 2.520 -8.044 10.849) 13.739 5.703 ( 2.427 -8.623 2.271) 9.241 6.156 ( -0.403 7.434 -1.710) 7.639 6.583 ( 2.769 -4.950 -1.206) 5.799 6.987 ( 5.497 -13.240 1.392) 14.403 7.508 ( 1.386 4.639 0.772) 4.903 7.757 ( 1.340 -0.186 -3.857) 4.087 8.195 ( -9.624 3.063 4.351) 10.997 12.812 ( 4.289 3.966 0.433) 5.857 13.690 ( -2.083 6.956 -2.693) 7.744 15.797 ( 2.958 1.375 -4.569) 5.614 17.075 ( 0.866 -1.696 1.592) 2.482 18.393 ( 0.925 -10.694 -3.702) 11.354======================= Grid point 205 (93/468) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( -11.197 0.000 -4.308) 11.997 2.212 ( -10.624 0.000 6.477) 12.443 2.516 ( -4.284 0.000 -5.510) 6.980 2.735 ( 4.397 -0.000 -4.798) 6.508 3.191 ( 4.394 -0.000 0.006) 4.394 4.372 ( -4.029 0.000 13.009) 13.619 5.595 ( -2.595 0.000 7.276) 7.724 5.877 ( 0.188 -0.000 -3.972) 3.977 6.248 ( 3.526 -0.000 2.043) 4.075 6.624 ( 2.482 -0.000 -4.719) 5.332 7.623 ( 1.683 -0.000 3.770) 4.129 7.750 ( -3.333 0.000 -1.148) 3.526 8.288 ( -0.494 0.000 14.051) 14.060 12.626 ( 8.672 -0.000 4.095) 9.591 14.584 ( -7.266 0.000 -7.951) 10.771 15.755 ( 9.492 -0.000 0.376) 9.500 16.796 ( -0.430 0.000 -0.209) 0.478 17.658 ( 5.616 -0.000 -1.939) 5.942======================= Grid point 206 (94/468) =======================q-point: (-0.27 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( -10.493 -24.955 -3.668) 27.319 2.044 ( -12.632 1.761 4.681) 13.586 2.417 ( -9.210 -0.686 -4.973) 10.489 2.716 ( -1.277 2.636 -5.553) 6.278 3.247 ( 4.908 3.802 1.364) 6.356 4.433 ( 0.203 -9.254 12.327) 15.415 5.579 ( 0.294 1.623 7.682) 7.857 5.962 ( 0.462 -11.414 -3.605) 11.978 6.317 ( 4.428 -1.278 1.736) 4.925 6.648 ( 2.622 0.210 -1.987) 3.296 7.640 ( 1.497 1.808 3.161) 3.937 7.713 ( -3.640 -2.176 -1.295) 4.434 8.284 ( -4.915 -0.519 11.954) 12.936 12.786 ( 13.044 0.652 7.334) 14.979 14.369 ( -7.182 12.983 -7.426) 16.592 15.839 ( 8.431 4.072 -1.626) 9.503 16.866 ( -1.060 -8.900 -0.762) 8.995 17.778 ( 5.142 -7.687 -4.759) 10.401======================= Grid point 207 (95/468) =======================q-point: (-0.18 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( -7.628 -30.238 -2.261) 31.267 1.857 ( -13.729 -0.674 3.266) 14.128 2.297 ( -9.882 -2.911 -2.783) 10.671 2.626 ( -9.729 -2.430 -5.144) 11.270 3.210 ( 4.818 9.900 3.652) 11.600 4.674 ( 4.202 -14.978 11.883) 19.576 5.598 ( 2.583 0.318 5.947) 6.492 6.152 ( 1.054 -11.385 -3.156) 11.861 6.418 ( 6.551 -3.161 0.898) 7.329 6.702 ( 3.238 -3.518 1.241) 4.940 7.623 ( 0.100 2.472 2.381) 3.433 7.711 ( -1.671 -2.884 -2.437) 4.129 8.219 ( -8.083 0.017 9.597) 12.547 12.950 ( 12.647 4.699 7.495) 15.434 14.036 ( -6.718 16.295 -5.789) 18.551 15.872 ( 5.043 3.535 -4.487) 7.620 16.974 ( 0.010 -6.748 -0.056) 6.748 17.988 ( 3.354 -14.274 -7.431) 16.439======================= Grid point 208 (96/468) =======================q-point: (-0.09 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( -15.329 -2.715 -0.723) 15.585 2.015 ( -6.722 -18.778 1.404) 19.994 2.240 ( -8.172 -6.647 1.811) 10.688 2.545 ( -15.673 -14.840 -2.893) 21.777 3.146 ( 8.138 11.518 3.312) 14.487 4.968 ( 4.062 -12.679 13.039) 18.636 5.667 ( 3.741 -2.979 2.372) 5.339 6.234 ( 2.154 1.570 -0.198) 2.673 6.575 ( 5.693 -4.074 0.018) 7.000 6.877 ( 5.239 -11.857 1.564) 13.057 7.586 ( 0.084 3.473 1.735) 3.883 7.740 ( 1.008 -2.803 -5.951) 6.654 8.120 ( -7.105 0.853 8.501) 11.112 12.972 ( 4.447 10.625 3.038) 11.912 13.762 ( -3.634 9.180 -3.184) 10.374 15.833 ( -1.638 4.001 -7.658) 8.794 17.068 ( 2.872 -3.752 2.966) 5.579 18.216 ( 1.284 -14.257 -8.711) 16.757======================= Grid point 217 (97/468) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( -12.760 0.000 -4.356) 13.483 1.854 ( -16.830 0.000 1.333) 16.883 2.250 ( -12.526 0.000 -5.043) 13.504 2.616 ( -13.523 0.000 -3.409) 13.947 3.396 ( 9.414 -0.000 -0.729) 9.442 4.407 ( 3.260 -0.000 14.410) 14.774 5.649 ( 4.281 -0.000 10.181) 11.044 5.860 ( -0.330 0.000 -3.732) 3.746 6.376 ( 5.279 -0.000 1.837) 5.589 6.681 ( 2.378 -0.000 -0.337) 2.402 7.626 ( -5.434 0.000 -1.051) 5.535 7.684 ( 1.502 -0.000 2.172) 2.640 8.223 ( -7.162 0.000 11.365) 13.434 13.025 ( 17.716 -0.000 11.568) 21.158 14.369 ( -5.424 0.000 -6.818) 8.712 15.952 ( 4.393 -0.000 -4.836) 6.533 16.779 ( -0.767 0.000 -0.130) 0.778 17.767 ( 3.452 -0.000 -10.934) 11.466======================= Grid point 218 (98/468) =======================q-point: (-0.18 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( -9.820 -31.839 -2.574) 33.418 1.612 ( -19.539 -1.220 -2.312) 19.713 2.084 ( -13.118 -3.396 -3.336) 13.956 2.374 ( -21.737 -1.146 0.240) 21.768 3.461 ( 9.316 7.969 0.442) 12.268 4.581 ( 5.896 -10.128 15.138) 19.144 5.689 ( 4.391 4.100 6.267) 8.681 5.993 ( 3.806 -14.279 -0.112) 14.778 6.473 ( 6.515 -2.119 1.381) 6.988 6.717 ( 2.538 -0.639 2.156) 3.391 7.569 ( -5.384 -3.168 -1.229) 6.367 7.696 ( 0.504 0.442 0.483) 0.826 8.139 ( -7.624 0.656 11.778) 14.046 13.262 ( 17.784 6.188 12.035) 22.348 14.171 ( -5.283 15.728 -5.608) 17.514 15.945 ( 0.063 2.978 -7.961) 8.500 16.856 ( 0.672 -10.017 0.993) 10.088 17.827 ( 0.813 -8.584 -16.869) 18.945======================= Grid point 219 (99/468) =======================q-point: (-0.09 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( -20.401 -5.096 -5.828) 21.821 1.536 ( -7.098 -34.050 0.824) 34.792 1.999 ( -11.769 -8.023 2.403) 14.445 2.102 ( -24.592 -7.701 2.461) 25.887 3.447 ( 9.381 11.233 2.236) 14.804 4.870 ( 5.404 -13.106 16.216) 21.539 5.713 ( 4.009 0.968 1.174) 4.288 6.255 ( 6.902 -7.378 1.981) 10.296 6.606 ( 5.484 -2.813 0.723) 6.205 6.816 ( 5.363 -6.570 2.202) 8.762 7.569 ( -3.059 -4.044 -2.213) 5.532 7.713 ( 2.191 -2.017 -3.729) 4.772 8.076 ( -2.796 -0.450 16.075) 16.322 13.275 ( 5.537 21.313 4.793) 22.536 13.842 ( -5.397 11.750 -3.775) 13.470 15.832 ( -5.662 5.015 -10.608) 13.029 17.048 ( 5.254 -8.280 5.408) 11.199 17.976 ( -0.405 -16.664 -18.672) 25.029======================= Grid point 229 (100/468) =======================q-point: (-0.18 -0.18 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.662 ( -12.913 0.000 -2.761) 13.205 1.300 ( -23.370 0.000 -7.492) 24.541 1.860 ( -13.979 0.000 -2.742) 14.245 2.032 ( -27.740 0.000 7.445) 28.721 3.640 ( 8.318 -0.000 -1.221) 8.407 4.628 ( 6.928 -0.000 18.886) 20.116 5.831 ( -0.705 0.000 -3.065) 3.145 5.905 ( 11.049 -0.000 11.338) 15.831 6.548 ( 6.979 -0.000 0.911) 7.038 6.754 ( 2.573 -0.000 4.551) 5.228 7.450 ( -7.163 0.000 -1.074) 7.243 7.692 ( -1.393 0.000 0.496) 1.479 8.085 ( -4.722 0.000 15.937) 16.622 13.587 ( 16.951 -0.000 10.647) 20.018 14.293 ( 2.756 -0.000 -2.629) 3.809 15.916 ( -4.789 0.000 -11.159) 12.144 16.756 ( -0.811 0.000 -0.317) 0.871 17.692 ( -4.835 0.000 -27.215) 27.641======================= Grid point 230 (101/468) =======================q-point: (-0.09 -0.18 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( -7.059 -39.706 0.472) 40.331 0.970 ( -25.002 -4.669 -10.306) 27.443 1.674 ( -29.759 -2.137 15.689) 33.710 1.732 ( -11.410 -7.221 -0.431) 13.509 3.694 ( 7.072 6.334 0.277) 9.498 4.830 ( 6.634 -8.106 21.110) 23.566 5.788 ( 2.631 2.083 -1.662) 3.745 6.226 ( 10.744 -13.234 4.792) 17.707 6.651 ( 4.941 -0.208 1.232) 5.096 6.832 ( 5.619 -3.478 3.176) 7.332 7.410 ( -5.349 -7.863 -3.831) 10.253 7.697 ( 1.053 -2.909 0.077) 3.095 8.118 ( 5.988 -1.928 29.381) 30.047 13.701 ( 7.923 16.304 1.479) 18.187 13.991 ( -9.844 31.734 -8.209) 34.224 15.775 ( -8.281 3.381 -12.405) 15.294 16.972 ( 9.202 -19.850 8.003) 23.296 17.626 ( -9.097 -15.943 -33.272) 37.999======================= Grid point 241 (102/468) =======================q-point: (-0.09 -0.09 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.335 ( -10.103 0.000 3.907) 10.832 0.576 ( -23.452 0.000 -3.892) 23.773 1.291 ( -29.922 0.000 24.329) 38.565 1.534 ( -8.616 0.000 1.924) 8.829 3.816 ( 4.783 -0.000 -1.309) 4.959 4.934 ( 10.534 -0.000 24.812) 26.955 5.801 ( -0.581 0.000 -2.488) 2.555 6.255 ( 8.638 -0.000 3.148) 9.194 6.758 ( 8.300 -0.000 -0.229) 8.303 6.857 ( 2.295 -0.000 3.580) 4.252 7.233 ( -8.418 0.000 -1.168) 8.499 7.676 ( -0.388 0.000 0.741) 0.837 8.405 ( 33.872 -0.000 60.841) 69.634 13.833 ( 0.190 -0.000 -6.605) 6.608 14.220 ( -29.247 0.000 -58.421) 65.333 15.680 ( -4.601 0.000 -5.086) 6.858 16.734 ( -0.602 0.000 -0.720) 0.938 17.296 ( -7.633 0.000 -9.519) 12.201======================= Grid point 242 (103/468) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.618 ( 5.596 -0.000 15.480) 16.461 1.081 ( -4.539 0.000 26.416) 26.803 1.662 ( 3.835 -0.000 11.176) 11.815 1.754 ( 11.227 -0.000 39.049) 40.631 3.842 ( 0.832 -0.000 -2.929) 3.045 5.461 ( -6.943 0.000 8.298) 10.820 5.711 ( 0.174 -0.000 -4.484) 4.487 6.155 ( 3.515 -0.000 -4.641) 5.822 6.896 ( -9.213 0.000 10.312) 13.828 6.953 ( 4.537 -0.000 -1.526) 4.787 6.960 ( -4.864 0.000 -2.457) 5.449 7.610 ( 1.040 -0.000 3.057) 3.229 9.250 ( -42.223 0.000 -4.037) 42.416 12.236 ( 12.126 -0.000 -4.934) 13.091 14.002 ( 8.351 -0.000 6.281) 10.450 15.652 ( 3.757 -0.000 -0.431) 3.782 16.684 ( -0.371 0.000 -2.152) 2.183 18.254 ( 22.608 -0.000 -5.098) 23.175======================= Grid point 243 (104/468) =======================q-point: ( 0.09 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( 3.381 -27.211 12.807) 30.264 1.061 ( -3.246 -5.447 24.755) 25.554 1.800 ( 7.354 -4.964 11.343) 14.401 2.092 ( 20.058 -3.274 33.264) 38.981 3.827 ( -2.048 0.906 -0.964) 2.438 5.341 ( -11.346 -1.016 10.327) 15.375 5.843 ( 0.823 -15.917 -10.664) 19.177 6.209 ( 4.006 1.038 -1.549) 4.418 6.702 ( -12.105 5.578 9.623) 16.440 6.851 ( -8.341 -1.730 0.057) 8.518 7.102 ( 7.196 -4.107 -3.510) 8.999 7.661 ( 4.293 -0.114 5.524) 6.997 8.698 ( -33.871 0.015 3.671) 34.070 12.359 ( 8.369 1.589 -14.382) 16.715 14.043 ( 9.701 13.439 7.142) 18.048 15.686 ( 8.598 5.089 -0.905) 10.032 16.812 ( -1.623 -15.748 -2.842) 16.084 18.441 ( 8.925 1.461 -10.201) 13.633======================= Grid point 244 (105/468) =======================q-point: ( 0.18 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( 2.824 -3.235 22.819) 23.220 1.582 ( 6.126 -31.241 7.711) 32.757 2.019 ( 8.048 -7.144 9.232) 14.179 2.465 ( 17.212 -3.750 25.626) 31.097 3.753 ( -4.800 2.803 2.589) 6.131 5.262 ( -10.158 -5.239 11.688) 16.348 6.031 ( -1.440 -7.580 -8.060) 11.158 6.204 ( -2.349 -2.161 -1.133) 3.387 6.535 ( -4.447 1.055 1.120) 4.706 6.782 ( -7.065 -2.784 2.819) 8.100 7.238 ( 6.880 -2.446 -5.347) 9.050 7.728 ( 4.215 1.131 5.960) 7.387 8.358 ( -21.911 -3.475 1.838) 22.261 12.388 ( 3.584 -0.057 -14.451) 14.889 13.942 ( 7.698 17.287 5.931) 19.831 15.734 ( 8.991 5.190 -2.335) 10.641 17.000 ( -1.581 -12.833 -1.187) 12.984 18.459 ( -0.677 -0.573 -8.440) 8.487======================= Grid point 245 (106/468) =======================q-point: ( 0.27 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( 10.351 -4.797 17.229) 20.664 2.064 ( 6.089 -20.656 6.382) 22.460 2.239 ( 6.409 -7.409 6.112) 11.547 2.739 ( 9.384 -2.676 16.568) 19.228 3.640 ( -6.574 2.997 5.735) 9.225 5.256 ( -7.722 -7.174 11.387) 15.516 5.933 ( -6.888 5.073 2.120) 8.813 6.265 ( 2.118 -1.438 0.350) 2.583 6.553 ( -1.225 -8.041 -11.877) 14.395 6.763 ( -4.351 -5.326 4.484) 8.210 7.331 ( 6.047 0.278 -5.897) 8.451 7.757 ( 2.683 2.631 4.262) 5.682 8.181 ( -15.528 -6.066 -0.114) 16.671 12.430 ( 3.236 -3.340 -11.171) 12.100 13.806 ( 5.524 14.882 3.329) 16.220 15.758 ( 5.888 4.872 -3.698) 8.490 17.123 ( -0.034 -5.873 1.622) 6.093 18.439 ( -4.744 -4.527 -6.834) 9.471======================= Grid point 246 (107/468) =======================q-point: ( 0.36 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 12.921 -6.048 13.347) 19.537 2.297 ( 3.519 -1.791 2.339) 4.589 2.455 ( 4.041 -9.848 5.560) 12.010 2.858 ( 1.227 -0.905 8.666) 8.799 3.516 ( -7.890 2.695 7.087) 10.942 5.290 ( -5.440 -6.256 11.766) 14.393 5.816 ( -4.373 -0.141 1.661) 4.680 6.269 ( 6.203 8.834 5.136) 11.954 6.603 ( -2.019 -4.328 -8.641) 9.873 6.865 ( -2.404 -14.146 -1.547) 14.432 7.370 ( 4.642 2.552 -5.769) 7.833 7.749 ( 1.877 3.313 1.195) 3.991 8.091 ( -12.300 -7.274 -0.408) 14.296 12.520 ( 3.316 -5.155 -7.960) 10.046 13.687 ( 3.273 10.431 0.568) 10.947 15.736 ( 1.424 3.653 -5.331) 6.618 17.186 ( 2.055 -0.684 4.374) 4.880 18.432 ( -5.561 -5.685 -6.401) 10.209======================= Grid point 247 (108/468) =======================q-point: ( 0.45 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.828 ( 6.652 -3.658 11.021) 13.383 2.299 ( 0.867 3.010 -1.125) 3.328 2.587 ( 2.234 -0.681 5.666) 6.128 2.861 ( -2.538 -0.053 3.288) 4.154 3.365 ( -8.978 4.721 7.560) 12.651 5.336 ( -2.987 -4.949 13.264) 14.469 5.816 ( -1.553 -3.661 -0.653) 4.030 6.222 ( 7.475 11.074 6.805) 14.994 6.610 ( 0.366 -0.500 -4.272) 4.317 7.047 ( -2.247 -14.624 -3.091) 15.115 7.365 ( 3.559 3.713 -6.927) 8.628 7.721 ( 0.861 3.212 -1.616) 3.697 8.052 ( -9.230 -7.860 0.423) 12.130 12.618 ( 1.796 -5.199 -5.857) 8.035 13.604 ( 1.406 5.194 -1.583) 5.609 15.673 ( -3.163 1.646 -7.073) 7.921 17.228 ( 3.956 1.816 6.290) 7.649 18.413 ( -4.713 -2.714 -6.629) 8.574======================= Grid point 248 (109/468) =======================q-point: (-0.45 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( -8.615 7.056 3.443) 11.656 2.285 ( -2.588 0.634 4.459) 5.195 2.568 ( -0.026 7.140 6.141) 9.418 2.837 ( 0.993 2.099 -3.119) 3.889 3.188 ( -6.477 4.993 11.478) 14.093 5.408 ( -0.779 -4.330 15.374) 15.991 5.817 ( -0.046 2.790 -2.687) 3.874 6.229 ( 8.271 3.775 7.731) 11.934 6.616 ( 1.699 0.491 -3.143) 3.606 7.150 ( -1.013 -0.662 -0.780) 1.440 7.372 ( 1.941 -4.203 -10.033) 11.050 7.672 ( -1.406 2.519 -3.287) 4.373 8.081 ( -3.588 -8.460 2.526) 9.530 12.688 ( -1.461 -5.719 -5.046) 7.766 13.574 ( 0.548 0.088 -2.781) 2.836 15.583 ( -6.545 -0.772 -8.283) 10.585 17.270 ( 4.975 2.670 7.012) 9.003 18.344 ( -3.048 3.422 -7.334) 8.648======================= Grid point 249 (110/468) =======================q-point: (-0.36 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( -13.761 11.912 -0.254) 18.202 2.156 ( -11.883 4.404 7.987) 14.980 2.398 ( -5.293 13.015 5.102) 14.948 2.681 ( -4.097 17.453 3.933) 18.353 3.245 ( 6.990 -8.263 8.964) 14.054 5.486 ( 1.253 -0.395 18.152) 18.200 5.747 ( 1.141 5.242 -3.347) 6.323 6.351 ( 8.419 -1.360 7.040) 11.059 6.631 ( 1.970 -0.128 -3.218) 3.775 7.056 ( -0.323 9.540 -3.106) 10.038 7.467 ( -1.157 -7.878 -12.218) 14.583 7.601 ( -2.708 1.675 -0.613) 3.243 8.227 ( 5.621 -9.318 6.390) 12.620 12.725 ( -6.831 -8.790 -6.024) 12.657 13.603 ( 0.551 -3.676 -3.176) 4.889 15.494 ( -7.638 -3.014 -8.427) 11.766 17.314 ( 4.871 2.436 6.815) 8.724 18.194 ( -0.675 11.819 -8.473) 14.558======================= Grid point 250 (111/468) =======================q-point: (-0.27 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( -11.353 12.583 3.831) 17.375 1.901 ( -12.695 10.665 10.599) 19.678 2.074 ( -6.150 20.898 0.604) 21.792 2.341 ( -9.787 17.135 16.873) 25.963 3.513 ( 8.544 -9.436 5.885) 14.023 5.506 ( 4.286 7.377 17.835) 19.771 5.724 ( 0.601 -0.958 -1.905) 2.216 6.471 ( 5.835 1.666 2.683) 6.635 6.674 ( 4.197 -0.957 -1.213) 4.472 6.903 ( -1.056 7.531 -4.155) 8.665 7.424 ( -6.348 1.323 -12.138) 13.762 7.612 ( -0.505 -4.030 0.310) 4.073 8.543 ( 16.699 -11.405 11.778) 23.402 12.719 ( -15.916 -13.090 -9.803) 22.820 13.671 ( 0.289 -5.421 -3.159) 6.281 15.438 ( -6.029 -4.599 -7.003) 10.322 17.357 ( 2.752 0.982 5.332) 6.080 17.953 ( 4.404 22.116 -8.542) 24.114======================= Grid point 251 (112/468) =======================q-point: (-0.18 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( 0.426 9.648 15.697) 18.430 1.480 ( -4.183 33.981 7.432) 35.035 1.755 ( -9.774 7.660 9.723) 15.772 2.019 ( -12.428 12.225 23.325) 29.120 3.728 ( 5.421 -5.344 2.921) 8.153 5.494 ( 4.113 6.746 17.805) 19.479 5.752 ( 2.278 -0.311 -3.323) 4.040 6.425 ( 0.132 9.876 -8.325) 12.917 6.727 ( 3.061 0.135 0.904) 3.195 6.880 ( 3.722 -1.951 2.330) 4.805 7.270 ( -7.495 3.471 -8.516) 11.864 7.642 ( -1.843 -2.094 -1.259) 3.060 9.046 ( 22.831 -16.047 13.147) 30.848 12.582 ( -28.430 -11.309 -14.811) 33.993 13.748 ( -0.295 -6.239 -1.639) 6.457 15.448 ( -2.144 -6.484 -3.739) 7.785 17.293 ( -7.175 9.954 -5.268) 13.353 17.750 ( 20.260 21.127 2.451) 29.374======================= Grid point 252 (113/468) =======================q-point: (-0.09 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.837 ( 4.026 26.671 12.190) 29.600 1.046 ( 5.245 13.294 22.770) 26.883 1.618 ( -4.825 1.028 18.730) 19.368 1.767 ( -7.671 9.359 26.272) 28.925 3.823 ( 2.706 -0.558 -1.040) 2.952 5.488 ( -0.776 2.188 16.043) 16.210 5.768 ( 4.866 4.958 -6.538) 9.540 6.223 ( -2.828 8.836 -10.726) 14.182 6.806 ( 3.372 -4.423 2.259) 6.003 6.960 ( 2.930 0.780 5.115) 5.946 7.101 ( -8.276 2.826 -4.673) 9.916 7.622 ( -2.324 0.026 -0.251) 2.338 9.510 ( -1.476 -15.388 -2.425) 15.648 12.261 ( -19.825 -0.568 -6.282) 20.804 13.853 ( 2.007 -7.236 2.726) 7.988 15.550 ( 1.083 -8.340 -1.006) 8.470 16.909 ( -4.467 22.784 -6.088) 24.002 17.922 ( 27.085 4.927 5.551) 28.084======================= Grid point 254 (114/468) =======================q-point: ( 0.09 0.09 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( 8.284 -0.000 13.117) 15.514 1.077 ( 3.524 -0.000 24.116) 24.373 1.905 ( 10.086 -0.000 10.341) 14.445 2.428 ( 20.951 -0.000 29.533) 36.210 3.789 ( -3.908 0.000 -2.655) 4.725 5.180 ( -13.122 0.000 10.599) 16.867 5.703 ( 0.799 -0.000 -5.197) 5.258 6.261 ( -1.598 0.000 2.050) 2.599 6.612 ( -7.459 0.000 11.465) 13.678 6.718 ( -8.339 0.000 -1.132) 8.415 7.177 ( 8.522 -0.000 -2.812) 8.974 7.740 ( 4.996 -0.000 6.556) 8.243 8.305 ( -24.217 0.000 6.192) 24.996 12.391 ( 0.984 -0.000 -19.468) 19.493 14.317 ( 10.378 -0.000 6.823) 12.420 15.839 ( 7.984 -0.000 -2.343) 8.321 16.673 ( 0.269 -0.000 -2.386) 2.401 18.480 ( -1.478 0.000 -12.650) 12.736======================= Grid point 255 (115/468) =======================q-point: ( 0.18 0.09 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 9.863 -13.101 13.278) 21.100 1.266 ( 9.255 -14.374 14.570) 22.462 2.095 ( 10.908 -2.936 8.706) 14.262 2.736 ( 16.109 0.676 22.886) 27.995 3.707 ( -6.465 1.226 -0.933) 6.646 5.067 ( -11.084 -4.255 13.610) 18.060 5.809 ( 0.404 -12.976 -7.738) 15.113 6.141 ( -11.690 3.050 7.267) 14.098 6.576 ( 1.017 2.942 1.393) 3.411 6.651 ( -4.113 -3.016 3.902) 6.422 7.297 ( 7.801 -1.571 -3.648) 8.754 7.807 ( 3.314 0.652 5.425) 6.391 8.055 ( -16.843 -2.019 3.023) 17.230 12.357 ( -0.615 -1.443 -16.785) 16.858 14.333 ( 8.831 16.204 6.763) 19.655 15.889 ( 4.817 3.811 -4.424) 7.570 16.787 ( 0.385 -13.488 -1.833) 13.617 18.381 ( -7.754 0.218 -10.147) 12.773======================= Grid point 256 (116/468) =======================q-point: ( 0.27 0.09 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 16.523 -1.426 14.135) 21.790 1.761 ( 4.946 -29.930 6.123) 30.948 2.291 ( 9.157 -2.368 6.023) 11.213 2.915 ( 8.357 3.110 14.805) 17.283 3.581 ( -8.540 1.987 2.459) 9.106 5.054 ( -8.419 -8.030 13.875) 18.107 5.896 ( -7.513 2.412 4.342) 9.007 6.077 ( -2.185 -16.605 -4.986) 17.475 6.542 ( -2.171 0.180 -0.530) 2.242 6.679 ( 1.942 0.004 4.107) 4.543 7.401 ( 6.283 -0.211 -4.748) 7.878 7.828 ( 1.274 1.781 3.074) 3.774 7.908 ( -12.499 -4.604 0.239) 13.322 12.372 ( 0.967 -4.471 -11.951) 12.796 14.172 ( 7.091 21.321 5.050) 23.030 15.852 ( -0.113 4.104 -5.964) 7.241 17.002 ( 1.806 -13.102 0.732) 13.246 18.262 ( -9.821 -3.709 -8.100) 13.260======================= Grid point 257 (117/468) =======================q-point: ( 0.36 0.09 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( 15.728 -1.279 12.197) 19.944 2.212 ( 3.470 -21.641 4.748) 22.426 2.409 ( 4.643 0.401 1.900) 5.033 2.942 ( 1.572 4.787 7.790) 9.277 3.438 ( -9.623 1.557 5.320) 11.106 5.111 ( -6.309 -9.501 13.101) 17.370 5.774 ( -4.887 1.515 6.232) 8.064 6.332 ( 2.580 -17.120 -5.206) 18.079 6.514 ( -1.127 0.678 0.390) 1.372 6.702 ( -0.381 -1.152 0.855) 1.484 7.441 ( 2.851 2.060 -4.757) 5.917 7.806 ( -2.048 1.026 -0.874) 2.452 7.856 ( -4.983 -5.173 -0.495) 7.200 12.451 ( 1.747 -6.090 -7.846) 10.084 13.961 ( 4.606 19.414 2.191) 20.072 15.749 ( -5.003 3.361 -7.062) 9.285 17.192 ( 4.206 -6.525 4.442) 8.944 18.204 ( -9.501 -8.872 -7.900) 15.211======================= Grid point 258 (118/468) =======================q-point: ( 0.45 0.09 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.939 ( 6.791 2.313 11.016) 13.146 2.352 ( -1.225 3.842 1.716) 4.382 2.549 ( 4.611 -10.696 2.484) 11.909 2.876 ( -2.151 4.439 2.334) 5.457 3.309 ( -7.684 1.519 7.811) 11.062 5.198 ( -4.742 -9.234 12.734) 16.429 5.759 ( -0.646 -2.617 4.158) 4.955 6.482 ( 4.008 6.738 5.982) 9.861 6.561 ( 3.080 -6.139 -3.765) 7.833 6.748 ( -5.390 -14.967 -5.645) 16.880 7.415 ( -0.342 1.901 -4.899) 5.266 7.750 ( -3.066 1.200 -2.798) 4.321 7.901 ( 1.740 -3.865 -1.464) 4.484 12.538 ( 0.050 -5.400 -5.456) 7.677 13.765 ( 2.281 14.074 -0.364) 14.262 15.601 ( -8.508 1.911 -7.603) 11.569 17.318 ( 5.388 -0.421 6.803) 8.689 18.220 ( -7.146 -10.619 -7.909) 15.046======================= Grid point 259 (119/468) =======================q-point: (-0.45 0.09 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( -4.787 11.826 5.887) 14.051 2.233 ( -9.785 3.098 5.165) 11.490 2.683 ( 1.231 5.687 6.505) 8.728 2.840 ( 3.284 -4.315 -2.177) 5.843 3.219 ( -2.400 3.566 9.659) 10.573 5.298 ( -3.603 -9.001 12.687) 15.968 5.819 ( 1.481 -2.705 1.423) 3.397 6.453 ( 6.133 7.635 7.740) 12.482 6.599 ( -1.208 -1.738 -3.772) 4.325 6.943 ( -2.950 -17.449 -5.534) 18.542 7.367 ( -1.511 1.132 -7.884) 8.107 7.678 ( -2.473 2.683 -3.420) 5.001 8.012 ( 6.924 -4.375 -0.564) 8.210 12.571 ( -3.725 -3.754 -4.628) 7.028 13.631 ( 1.078 7.146 -2.043) 7.510 15.448 ( -9.444 -0.136 -7.150) 11.846 17.382 ( 4.186 2.149 6.320) 7.879 18.264 ( -3.123 -6.632 -6.794) 9.995======================= Grid point 260 (120/468) =======================q-point: (-0.36 0.09 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( -6.864 16.388 3.753) 18.160 2.024 ( -16.157 2.999 11.546) 20.084 2.522 ( -4.468 11.971 5.280) 13.826 2.874 ( 0.242 9.980 2.789) 10.365 3.268 ( 7.672 -5.005 8.668) 12.611 5.408 ( -3.152 -8.868 12.850) 15.928 5.848 ( 2.364 2.700 -0.111) 3.590 6.478 ( 4.791 2.256 6.748) 8.578 6.611 ( 0.689 -2.941 -2.693) 4.047 7.070 ( -3.193 -4.874 -1.546) 6.029 7.319 ( -2.905 -2.724 -16.509) 16.983 7.603 ( -1.372 2.824 -0.569) 3.191 8.233 ( 12.615 -8.268 0.717) 15.101 12.526 ( -8.222 -2.719 -4.739) 9.872 13.583 ( 0.728 0.758 -3.101) 3.274 15.335 ( -7.459 -2.340 -5.715) 9.684 17.400 ( 1.488 2.002 4.090) 4.791 18.283 ( 1.576 1.230 -5.164) 5.537======================= Grid point 261 (121/468) =======================q-point: (-0.27 0.09 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( -1.340 15.552 9.261) 18.150 1.781 ( -16.653 3.318 17.909) 24.679 2.267 ( -5.225 15.331 5.494) 17.104 2.624 ( -1.416 22.734 7.473) 23.973 3.504 ( 7.490 -8.471 7.129) 13.367 5.508 ( -3.575 -6.818 13.890) 15.881 5.827 ( 4.438 5.146 -1.010) 6.870 6.494 ( -2.605 -1.711 -0.697) 3.194 6.725 ( 8.091 -3.106 4.144) 9.606 6.989 ( -2.431 7.967 -2.140) 8.600 7.280 ( -6.515 -4.186 -19.607) 21.081 7.579 ( 0.150 -0.306 2.289) 2.315 8.588 ( 14.931 -13.864 0.679) 20.386 12.413 ( -11.398 -1.728 -4.762) 12.473 13.603 ( 0.112 -3.191 -3.802) 4.965 15.298 ( -3.262 -4.177 -3.789) 6.514 17.383 ( -1.707 1.262 1.421) 2.554 18.251 ( 6.882 9.371 -3.616) 12.176======================= Grid point 262 (122/468) =======================q-point: (-0.18 0.09 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 5.412 10.042 17.948) 21.266 1.571 ( -10.943 5.050 23.675) 26.566 1.976 ( -2.059 19.190 5.407) 20.043 2.262 ( -0.818 26.423 13.578) 29.719 3.706 ( 3.454 -6.834 5.697) 9.544 5.539 ( -5.407 -1.296 15.633) 16.592 5.849 ( 7.666 2.005 -3.796) 8.786 6.460 ( -4.464 0.319 -4.954) 6.677 6.788 ( -0.493 7.369 -2.268) 7.725 6.925 ( 5.513 -1.939 6.291) 8.587 7.179 ( -6.382 0.204 -15.873) 17.109 7.600 ( -0.051 -1.308 1.116) 1.720 8.973 ( 4.404 -17.804 -2.763) 18.548 12.266 ( -8.069 1.078 -2.963) 8.663 13.654 ( -0.316 -5.368 -2.784) 6.055 15.354 ( 1.978 -5.543 -1.932) 6.194 17.305 ( -4.837 4.391 -1.699) 6.750 18.217 ( 13.006 11.757 -2.129) 17.661======================= Grid point 263 (123/468) =======================q-point: (-0.09 0.09 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( -4.045 4.005 23.701) 24.375 1.381 ( 2.277 24.763 13.284) 28.194 1.768 ( 6.770 11.057 16.337) 20.856 1.989 ( 4.771 16.674 22.339) 28.281 3.811 ( -0.082 -3.569 2.737) 4.498 5.469 ( -8.102 1.776 14.066) 16.329 5.939 ( 9.503 2.818 -6.867) 12.058 6.298 ( -4.434 10.024 -10.344) 15.071 6.722 ( -5.078 -3.663 4.758) 7.864 6.976 ( -5.659 0.370 2.133) 6.059 7.091 ( 3.806 3.213 -8.134) 9.538 7.617 ( 1.224 -0.033 2.261) 2.572 9.064 ( -23.602 -10.702 -5.226) 26.436 12.229 ( 6.830 0.260 -3.026) 7.475 13.767 ( 2.862 -9.691 2.390) 10.384 15.497 ( 6.553 -6.254 -0.791) 9.093 17.098 ( -4.958 13.919 -3.699) 15.232 18.290 ( 15.440 4.292 -3.759) 16.461======================= Grid point 266 (124/468) =======================q-point: ( 0.18 0.18 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 7.785 -0.000 9.126) 11.996 1.473 ( 17.311 -0.000 14.570) 22.627 2.251 ( 12.001 -0.000 7.612) 14.212 2.969 ( 10.419 -0.000 16.836) 19.799 3.612 ( -8.119 0.000 -2.553) 8.511 4.923 ( -9.464 0.000 17.006) 19.462 5.714 ( 1.632 -0.000 -6.112) 6.326 6.007 ( -13.070 0.000 10.238) 16.602 6.504 ( -7.092 0.000 -0.486) 7.108 6.715 ( 7.067 -0.000 5.118) 8.725 7.386 ( 7.658 -0.000 -2.852) 8.171 7.825 ( -7.017 0.000 -1.105) 7.103 7.874 ( -4.489 0.000 5.312) 6.955 12.301 ( -0.252 0.000 -13.834) 13.837 14.591 ( 8.136 -0.000 6.726) 10.557 15.939 ( -0.442 0.000 -6.362) 6.378 16.680 ( 0.954 -0.000 -2.385) 2.568 18.226 ( -11.652 0.000 -8.745) 14.568======================= Grid point 267 (125/468) =======================q-point: ( 0.27 0.18 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.444 ( 6.282 -23.033 5.903) 24.593 1.743 ( 18.241 0.294 12.260) 21.980 2.424 ( 10.458 0.046 5.733) 11.927 3.064 ( 2.529 2.771 9.432) 10.151 3.480 ( -9.546 1.033 -0.985) 9.652 4.885 ( -6.827 -4.794 18.330) 20.139 5.805 ( 0.479 -8.380 -4.612) 9.577 5.861 ( -8.649 -1.612 8.221) 12.042 6.435 ( -6.115 -2.895 0.046) 6.766 6.797 ( 5.806 2.799 4.832) 8.055 7.479 ( 6.172 0.336 -3.432) 7.070 7.707 ( -8.598 -2.512 -2.464) 9.290 7.860 ( -0.893 0.867 2.709) 2.981 12.311 ( 2.005 -2.900 -9.133) 9.790 14.573 ( 6.957 17.321 5.405) 19.433 15.853 ( -5.546 3.537 -7.520) 9.991 16.815 ( 2.058 -14.952 -1.071) 15.131 18.055 ( -12.210 -1.554 -6.967) 14.143======================= Grid point 268 (126/468) =======================q-point: ( 0.36 0.18 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 3.289 -21.574 4.351) 22.252 2.013 ( 16.778 -4.615 10.472) 20.309 2.521 ( 5.380 3.825 2.758) 7.154 3.011 ( -3.803 4.197 3.172) 6.491 3.336 ( -8.801 0.961 2.745) 9.269 4.936 ( -4.731 -7.656 17.488) 19.668 5.746 ( -4.539 1.122 9.562) 10.644 6.050 ( 0.976 -19.008 -8.134) 20.698 6.419 ( -4.869 -5.066 0.629) 7.055 6.801 ( 2.249 5.442 3.532) 6.866 7.487 ( -0.004 3.027 -4.018) 5.031 7.699 ( -0.213 -4.348 -1.521) 4.611 7.841 ( -0.393 -0.167 -0.344) 0.549 12.388 ( 2.779 -4.432 -5.290) 7.439 14.351 ( 4.654 24.009 2.576) 24.591 15.681 ( -9.408 3.525 -7.634) 12.618 17.104 ( 5.103 -16.309 2.677) 17.297 17.927 ( -11.717 -5.833 -7.121) 14.900======================= Grid point 269 (127/468) =======================q-point: ( 0.45 0.18 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( 1.444 0.045 8.905) 9.022 2.372 ( 5.128 -4.302 6.384) 9.250 2.483 ( 2.220 -3.641 -1.768) 4.616 2.889 ( -5.154 3.342 0.227) 6.147 3.251 ( -4.134 -0.173 6.638) 7.822 5.033 ( -3.703 -8.665 15.879) 18.464 5.735 ( -0.242 -1.646 7.312) 7.499 6.325 ( -0.837 -19.850 -9.991) 22.238 6.451 ( -3.554 -7.525 0.680) 8.350 6.728 ( -0.269 6.366 2.359) 6.794 7.420 ( -1.234 3.350 -3.100) 4.728 7.732 ( 0.586 1.132 -0.813) 1.512 7.900 ( 4.900 -4.760 -2.803) 7.384 12.465 ( 0.697 -3.507 -3.383) 4.922 14.060 ( 2.281 22.138 0.025) 22.255 15.483 ( -10.673 2.452 -6.724) 12.851 17.373 ( 6.832 -6.217 6.564) 11.332 17.901 ( -9.670 -14.246 -8.629) 19.259======================= Grid point 270 (128/468) =======================q-point: (-0.45 0.18 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( -2.664 9.459 9.073) 13.375 2.166 ( -12.289 9.774 2.235) 15.860 2.783 ( 1.399 3.576 6.211) 7.302 2.784 ( 3.847 -10.231 -1.624) 11.050 3.245 ( 0.193 -0.556 7.280) 7.304 5.141 ( -3.519 -8.896 13.811) 16.800 5.803 ( 2.288 -3.476 4.411) 6.064 6.486 ( -0.385 -6.895 -2.302) 7.279 6.522 ( -8.405 -8.412 -6.505) 13.554 6.713 ( 2.754 -6.255 0.105) 6.836 7.351 ( -0.964 3.278 -3.601) 4.964 7.698 ( 0.227 3.357 -1.418) 3.651 8.072 ( 10.159 -5.134 -2.300) 11.613 12.478 ( -3.080 -1.193 -3.050) 4.496 13.804 ( 0.894 15.581 -1.583) 15.687 15.312 ( -8.751 0.772 -4.823) 10.021 17.462 ( 1.522 1.877 4.007) 4.680 18.047 ( -1.830 -16.827 -5.223) 17.714======================= Grid point 271 (129/468) =======================q-point: (-0.36 0.18 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( -3.107 17.404 3.614) 18.045 1.895 ( -13.111 4.828 14.763) 20.326 2.633 ( -3.872 9.852 2.773) 10.943 2.966 ( 2.323 -0.528 4.075) 4.720 3.322 ( 5.835 -3.504 7.170) 9.887 5.251 ( -3.364 -9.439 11.408) 15.183 5.882 ( 1.990 -1.547 2.404) 3.483 6.448 ( -7.321 -2.211 -5.011) 9.143 6.610 ( 4.106 -6.200 2.534) 7.856 6.875 ( -1.966 -12.795 -5.750) 14.165 7.277 ( -0.981 4.273 -7.070) 8.320 7.646 ( 0.508 3.968 -0.124) 4.002 8.310 ( 13.229 -6.266 -1.979) 14.771 12.411 ( -5.562 0.875 -3.081) 6.419 13.642 ( 0.373 7.556 -2.647) 8.015 15.217 ( -4.403 -1.256 -2.538) 5.235 17.426 ( -2.553 1.800 0.444) 3.155 18.250 ( 3.562 -9.442 -1.774) 10.246======================= Grid point 272 (130/468) =======================q-point: (-0.27 0.18 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( -4.938 12.895 9.871) 16.974 1.728 ( -3.114 7.335 20.726) 22.205 2.418 ( -4.000 12.925 3.988) 14.106 2.892 ( 0.130 12.801 5.079) 13.773 3.501 ( 5.441 -6.571 7.644) 11.454 5.366 ( -2.915 -9.184 9.972) 13.867 5.908 ( 1.310 0.985 1.650) 2.326 6.379 ( -7.115 -3.221 -4.376) 8.952 6.788 ( 7.253 -5.729 4.954) 10.487 6.972 ( -4.452 -8.049 -5.282) 10.607 7.162 ( -1.240 6.523 -13.697) 15.222 7.610 ( 1.038 2.542 2.218) 3.530 8.581 ( 9.712 -9.044 -3.297) 13.675 12.314 ( -3.774 2.091 -2.542) 5.007 13.578 ( -0.050 1.176 -3.457) 3.652 15.223 ( 1.001 -3.288 -0.724) 3.512 17.358 ( -4.173 0.931 -0.931) 4.376 18.390 ( 5.942 -1.307 -0.898) 6.150======================= Grid point 273 (131/468) =======================q-point: (-0.18 0.18 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( -7.494 8.007 18.898) 21.849 1.714 ( 10.039 7.440 22.730) 25.939 2.192 ( -1.376 13.834 5.215) 14.848 2.658 ( 1.462 21.845 8.009) 23.313 3.657 ( 1.376 -6.187 7.399) 9.742 5.452 ( -3.883 -4.906 10.915) 12.581 5.924 ( 2.433 -0.562 -0.250) 2.510 6.333 ( -6.914 -4.498 -2.758) 8.697 6.899 ( 0.277 6.198 -5.742) 8.453 6.954 ( -3.550 0.143 4.607) 5.818 7.080 ( 3.651 -2.548 -14.705) 15.364 7.612 ( 1.552 0.507 3.234) 3.623 8.759 ( -3.555 -8.891 -5.477) 11.031 12.266 ( 2.702 2.064 -2.393) 4.158 13.584 ( -0.029 -2.983 -2.880) 4.146 15.333 ( 6.348 -5.001 0.073) 8.082 17.282 ( -4.476 1.564 -0.993) 4.845 18.451 ( 6.693 3.817 -1.898) 7.935======================= Grid point 274 (132/468) =======================q-point: (-0.09 0.18 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -5.416 5.591 23.683) 24.929 1.796 ( 11.812 13.942 15.153) 23.739 2.036 ( 4.639 11.192 9.072) 15.135 2.405 ( 7.349 20.213 16.377) 27.032 3.741 ( -2.356 -4.638 5.712) 7.726 5.417 ( -7.271 2.308 11.824) 14.071 6.004 ( 3.249 -4.599 -2.313) 6.088 6.295 ( -4.887 -0.865 -2.533) 5.572 6.692 ( -4.444 10.785 -8.891) 14.666 6.894 ( -6.462 0.390 1.162) 6.577 7.178 ( 6.842 -0.309 -5.805) 8.978 7.651 ( 3.006 -0.725 4.522) 5.478 8.673 ( -18.885 -1.895 -3.774) 19.352 12.321 ( 7.566 -0.140 -6.670) 10.088 13.674 ( 2.759 -8.679 1.162) 9.181 15.525 ( 9.722 -5.742 -0.536) 11.304 17.175 ( -3.639 5.967 -0.898) 7.046 18.468 ( 4.997 3.631 -4.661) 7.738======================= Grid point 278 (133/468) =======================q-point: ( 0.27 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.365 ( 6.552 -0.000 4.413) 7.900 2.011 ( 16.775 -0.000 11.244) 20.195 2.576 ( 9.215 -0.000 4.447) 10.232 3.081 ( -4.914 0.000 3.604) 6.094 3.354 ( -9.383 0.000 -2.367) 9.677 4.819 ( -3.908 0.000 21.683) 22.032 5.739 ( 1.993 -0.000 -6.637) 6.930 5.772 ( -6.880 0.000 12.044) 13.871 6.333 ( -5.374 0.000 0.004) 5.374 6.881 ( 1.472 -0.000 3.302) 3.615 7.564 ( 6.175 -0.000 -2.660) 6.723 7.592 ( -3.948 0.000 -2.412) 4.626 7.848 ( -2.094 0.000 1.586) 2.627 12.318 ( 4.214 -0.000 -5.104) 6.619 14.808 ( 5.537 -0.000 4.591) 7.193 15.771 ( -8.546 0.000 -7.885) 11.628 16.704 ( 1.442 -0.000 -2.163) 2.599 17.870 ( -11.455 0.000 -4.993) 12.496======================= Grid point 279 (134/468) =======================q-point: ( 0.36 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 5.090 -19.644 1.703) 20.364 2.230 ( 12.404 0.435 10.684) 16.377 2.652 ( 3.667 4.080 1.981) 5.833 2.965 ( -9.247 2.009 -0.001) 9.463 3.240 ( -6.195 -0.579 -0.354) 6.233 4.852 ( -1.882 -3.291 22.204) 22.526 5.725 ( -3.014 0.322 11.356) 11.753 5.832 ( 1.563 -10.759 -7.400) 13.151 6.292 ( -4.291 -3.356 0.231) 5.453 6.844 ( -4.612 1.867 -1.225) 5.124 7.540 ( 1.957 4.202 0.169) 4.639 7.683 ( 5.710 -4.391 -0.666) 7.234 7.821 ( -1.635 0.017 0.066) 1.637 12.388 ( 4.576 -1.529 -2.183) 5.296 14.730 ( 2.961 18.195 1.887) 18.530 15.589 ( -9.754 4.851 -6.885) 12.888 16.885 ( 3.054 -19.801 -0.620) 20.045 17.722 ( -9.893 -0.728 -4.075) 10.724======================= Grid point 280 (135/468) =======================q-point: ( 0.45 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( 1.770 -16.195 1.218) 16.337 2.388 ( 3.777 -5.730 6.943) 9.763 2.533 ( -3.496 11.440 0.457) 11.972 2.847 ( -4.230 -0.238 1.582) 4.522 3.209 ( -1.755 -1.559 2.226) 3.235 4.934 ( -1.767 -4.973 20.710) 21.371 5.734 ( 0.640 -1.070 9.004) 9.090 6.025 ( -0.657 -16.141 -8.818) 18.404 6.311 ( -3.016 -5.854 -0.094) 6.585 6.729 ( -6.649 1.352 -4.223) 7.992 7.499 ( 2.382 6.074 2.167) 6.875 7.785 ( 2.189 2.438 -0.054) 3.277 7.875 ( 6.329 -7.805 -0.006) 10.049 12.451 ( 2.012 -0.649 -1.303) 2.484 14.433 ( 1.054 25.040 -0.612) 25.070 15.379 ( -8.829 4.164 -4.752) 10.857 17.281 ( 6.252 -23.923 2.404) 24.843 17.603 ( -9.531 -2.363 -5.100) 11.065======================= Grid point 281 (136/468) =======================q-point: (-0.45 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( -4.700 2.771 8.206) 9.855 2.231 ( -7.007 13.084 -3.063) 15.155 2.642 ( 2.109 -14.328 2.296) 14.663 2.837 ( 0.454 0.202 5.787) 5.808 3.236 ( 0.792 -2.782 3.453) 4.504 5.021 ( -2.821 -6.037 17.538) 18.761 5.804 ( 2.799 -2.675 6.054) 7.186 6.208 ( -4.539 -15.638 -8.713) 18.468 6.366 ( -1.871 -6.591 -2.437) 7.272 6.649 ( -4.032 -2.918 -4.357) 6.615 7.441 ( 2.105 6.794 2.481) 7.533 7.761 ( 1.243 3.456 -1.011) 3.810 8.116 ( 11.025 -8.031 1.261) 13.698 12.445 ( -1.419 1.379 -1.770) 2.655 14.086 ( -0.033 22.587 -1.967) 22.672 15.230 ( -4.878 2.250 -1.955) 5.716 17.480 ( -4.776 1.651 -1.473) 5.264 17.735 ( 3.538 -25.122 -0.495) 25.374======================= Grid point 282 (137/468) =======================q-point: (-0.36 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( -10.157 10.202 9.649) 17.331 2.017 ( 2.239 11.839 5.911) 13.421 2.694 ( -3.578 4.318 -0.224) 5.612 2.937 ( 0.764 -7.822 5.635) 9.670 3.337 ( 3.815 -5.287 5.449) 8.497 5.108 ( -3.055 -7.636 13.268) 15.610 5.882 ( 1.195 -2.264 3.607) 4.423 6.272 ( -6.715 -6.112 -5.920) 10.839 6.488 ( 1.395 -13.090 -5.982) 14.459 6.688 ( -2.166 -8.014 -3.828) 9.142 7.372 ( 2.030 7.278 1.331) 7.672 7.720 ( 1.152 4.209 -0.255) 4.371 8.384 ( 11.460 -6.719 0.587) 13.297 12.383 ( -1.942 2.659 -2.175) 3.946 13.802 ( -0.412 15.317 -2.634) 15.547 15.179 ( 0.371 0.363 0.365) 0.635 17.383 ( -5.989 0.529 -3.000) 6.719 18.112 ( 5.449 -17.655 1.130) 18.511======================= Grid point 283 (138/468) =======================q-point: (-0.27 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( -6.878 11.533 13.601) 19.113 1.952 ( 7.488 9.012 12.964) 17.474 2.535 ( -3.779 9.436 1.457) 10.268 2.999 ( -0.508 0.966 3.663) 3.822 3.484 ( 2.759 -5.982 7.656) 10.100 5.220 ( -1.739 -9.189 10.033) 13.716 5.914 ( -0.783 -1.363 2.519) 2.969 6.226 ( -6.494 -2.412 -5.123) 8.616 6.712 ( 0.126 -15.118 -11.966) 19.281 6.778 ( 1.294 -7.550 1.852) 7.881 7.285 ( 1.909 8.980 -1.142) 9.251 7.677 ( 1.140 3.781 1.394) 4.187 8.586 ( 5.543 -4.233 -1.242) 7.084 12.335 ( 1.850 2.619 -2.226) 3.904 13.629 ( -0.375 7.306 -3.087) 7.941 15.231 ( 5.411 -1.764 1.467) 5.877 17.295 ( -5.474 -0.044 -2.293) 5.935 18.381 ( 4.874 -9.663 0.435) 10.832======================= Grid point 284 (139/468) =======================q-point: (-0.18 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( -3.087 10.739 18.001) 21.187 2.014 ( 12.049 5.454 15.926) 20.702 2.359 ( -1.079 10.149 2.991) 10.636 2.919 ( 0.119 10.458 4.892) 11.546 3.596 ( -0.762 -5.249 8.484) 10.006 5.347 ( -1.408 -7.314 9.718) 12.244 5.924 ( -0.431 -0.872 1.164) 1.517 6.166 ( -6.575 -3.919 -3.130) 8.269 6.783 ( -5.119 -6.731 -10.253) 13.290 6.976 ( 5.332 -5.248 -0.543) 7.501 7.170 ( 3.072 8.319 -3.575) 9.562 7.656 ( 1.314 1.758 2.921) 3.654 8.624 ( -5.211 -0.843 -2.774) 5.964 12.354 ( 6.403 2.001 -3.357) 7.502 13.563 ( 0.153 0.928 -2.770) 2.925 15.377 ( 9.227 -3.987 1.065) 10.108 17.229 ( -4.252 -0.279 -0.611) 4.305 18.521 ( 3.158 -2.446 -1.383) 4.227======================= Grid point 285 (140/468) =======================q-point: (-0.09 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( 2.592 8.586 19.249) 21.236 2.129 ( 9.875 6.857 10.639) 16.054 2.256 ( 5.142 8.204 7.868) 12.476 2.758 ( 2.937 14.204 9.316) 17.239 3.647 ( -4.004 -4.138 7.810) 9.703 5.383 ( -4.635 0.665 10.949) 11.908 5.933 ( -2.493 -3.088 -0.715) 4.033 6.181 ( -1.836 -6.817 0.946) 7.123 6.736 ( -4.665 2.031 -13.313) 14.253 6.909 ( -1.122 11.152 1.614) 11.324 7.236 ( 6.676 -2.926 -5.063) 8.875 7.682 ( 2.207 -1.245 4.038) 4.768 8.464 ( -13.882 3.503 -2.148) 14.477 12.414 ( 6.800 1.812 -6.944) 9.886 13.605 ( 2.224 -5.653 -0.291) 6.082 15.579 ( 9.726 -5.186 -0.953) 11.063 17.181 ( -2.336 1.064 1.067) 2.780 18.535 ( 0.050 2.553 -4.054) 4.791======================= Grid point 290 (141/468) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 5.239 -0.000 -0.283) 5.246 2.379 ( 5.426 -0.000 7.932) 9.610 2.700 ( -2.269 0.000 -0.098) 2.272 2.851 ( -8.524 0.000 0.257) 8.528 3.171 ( -1.920 0.000 -0.593) 2.009 4.865 ( -0.617 0.000 24.339) 24.347 5.726 ( -0.453 0.000 11.031) 11.040 5.763 ( 1.705 -0.000 -6.820) 7.030 6.218 ( -3.112 0.000 0.453) 3.145 6.749 ( -8.740 0.000 -6.789) 11.067 7.649 ( 3.822 -0.000 8.134) 8.987 7.696 ( 4.227 -0.000 -2.354) 4.838 7.823 ( 2.555 -0.000 0.526) 2.609 12.441 ( 4.357 -0.000 -0.512) 4.387 14.881 ( -1.128 0.000 -0.244) 1.154 15.525 ( -5.737 0.000 -4.739) 7.441 16.737 ( 1.520 -0.000 -1.805) 2.359 17.603 ( -6.759 0.000 -1.955) 7.036======================= Grid point 291 (142/468) =======================q-point: ( 0.45 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( 3.848 -17.238 -2.305) 17.812 2.375 ( -4.192 3.722 2.885) 6.305 2.610 ( -4.631 4.245 -0.493) 6.302 2.784 ( -2.573 -1.963 4.768) 5.762 3.179 ( 0.540 -1.295 0.219) 1.420 4.912 ( -1.969 -1.710 23.537) 23.681 5.759 ( 1.924 -0.536 9.629) 9.834 5.831 ( 0.487 -8.086 -7.347) 10.937 6.210 ( -1.781 -3.336 0.466) 3.810 6.614 ( -7.967 -0.303 -8.738) 11.829 7.626 ( 1.333 5.618 5.150) 7.737 7.787 ( 0.464 -3.186 -1.492) 3.549 7.931 ( 11.032 -2.337 6.411) 12.972 12.479 ( 1.584 0.753 -0.742) 1.904 14.735 ( -2.046 15.597 -1.967) 15.853 15.378 ( -3.313 8.526 -2.517) 9.487 16.946 ( 1.150 -23.501 -1.974) 23.612 17.524 ( -3.434 0.781 -0.392) 3.544======================= Grid point 292 (143/468) =======================q-point: (-0.45 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.008 ( 2.008 -8.717 0.164) 8.947 2.227 ( -6.498 2.690 -2.409) 7.434 2.521 ( -2.313 -1.136 3.734) 4.537 2.818 ( -1.879 -3.035 5.728) 6.749 3.214 ( 1.145 -2.531 1.142) 3.004 4.952 ( -3.886 -3.349 20.178) 20.820 5.821 ( 1.427 -1.488 7.384) 7.667 5.957 ( -0.314 -11.519 -7.165) 13.569 6.255 ( -1.136 -5.028 -1.306) 5.317 6.532 ( -4.165 -2.787 -7.444) 8.974 7.569 ( 1.222 5.957 4.754) 7.719 7.802 ( 0.438 0.659 -1.890) 2.049 8.174 ( 12.154 -6.244 8.137) 15.903 12.457 ( -0.759 2.252 -1.675) 2.908 14.409 ( -2.124 23.368 -3.329) 23.699 15.252 ( 0.717 5.347 0.580) 5.426 17.260 ( -6.712 -17.598 -6.393) 19.890 17.562 ( 5.914 -9.753 4.322) 12.197======================= Grid point 293 (144/468) =======================q-point: (-0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( -2.216 12.132 8.430) 14.939 2.177 ( 1.693 3.599 -0.965) 4.092 2.617 ( -2.525 -9.649 0.411) 9.982 2.820 ( -4.355 -4.448 4.167) 7.491 3.308 ( 2.665 -5.776 4.402) 7.736 4.998 ( -3.741 -5.874 15.398) 16.900 5.848 ( -3.018 -2.339 4.277) 5.733 6.117 ( 2.036 -8.503 -4.111) 9.662 6.313 ( -1.390 -8.073 -7.449) 11.072 6.561 ( -0.129 -6.425 -2.493) 6.893 7.508 ( 1.649 6.596 4.041) 7.910 7.781 ( 0.416 2.528 -1.067) 2.776 8.435 ( 9.363 -6.300 6.303) 12.926 12.412 ( 0.748 2.610 -2.052) 3.403 14.044 ( -2.188 20.854 -3.708) 21.294 15.242 ( 5.242 2.589 2.291) 6.279 17.264 ( -7.133 -3.504 -4.817) 9.292 17.917 ( 6.497 -20.287 2.687) 21.470======================= Grid point 294 (145/468) =======================q-point: (-0.27 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( 0.388 13.952 11.940) 18.368 2.163 ( 5.110 4.432 5.745) 8.875 2.581 ( -4.453 4.377 -0.243) 6.248 2.915 ( -2.596 -10.365 1.559) 10.798 3.434 ( 0.561 -5.904 7.580) 9.624 5.097 ( -0.939 -8.755 11.543) 14.518 5.844 ( -4.285 -3.740 3.335) 6.593 6.161 ( -0.735 1.777 -3.499) 3.993 6.462 ( -0.438 -14.613 -12.291) 19.100 6.697 ( 3.776 -9.383 2.264) 10.364 7.436 ( 1.838 7.895 2.313) 8.429 7.742 ( 0.290 3.244 0.111) 3.259 8.593 ( 2.041 -2.451 3.051) 4.414 12.414 ( 5.185 1.962 -2.246) 5.981 13.761 ( -1.614 13.476 -3.558) 14.031 15.321 ( 8.596 0.287 2.193) 8.876 17.205 ( -5.305 -1.515 -2.518) 6.064 18.258 ( 4.200 -15.697 0.589) 16.260======================= Grid point 295 (146/468) =======================q-point: (-0.18 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( 3.757 13.673 14.474) 20.262 2.216 ( 6.079 1.256 7.376) 9.640 2.460 ( -1.278 5.483 1.970) 5.965 2.976 ( -2.205 -1.455 1.900) 3.254 3.513 ( -3.088 -5.282 8.872) 10.777 5.252 ( 0.937 -8.235 10.716) 13.547 5.870 ( -2.237 -5.366 2.599) 6.368 6.081 ( -3.023 3.345 -3.385) 5.638 6.599 ( -1.569 -9.219 -9.914) 13.628 6.932 ( 6.373 -11.239 0.735) 12.941 7.334 ( 1.694 9.802 -0.939) 9.991 7.703 ( 0.224 2.496 1.290) 2.818 8.562 ( -6.535 2.782 0.551) 7.124 12.474 ( 7.752 1.967 -3.481) 8.722 13.603 ( -0.506 5.642 -3.105) 6.460 15.466 ( 9.883 -2.149 0.503) 10.127 17.164 ( -3.230 -1.380 0.184) 3.518 18.471 ( 1.525 -8.354 -1.610) 8.643======================= Grid point 296 (147/468) =======================q-point: (-0.09 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.530 ( 8.064 11.004 14.640) 20.012 2.276 ( 2.394 0.821 1.782) 3.095 2.440 ( 5.863 3.284 8.978) 11.215 2.916 ( -2.002 5.326 4.293) 7.127 3.541 ( -5.649 -4.357 8.378) 11.004 5.352 ( -1.860 -1.845 11.870) 12.156 5.889 ( -2.540 1.734 -1.429) 3.391 6.069 ( 1.051 -7.848 2.383) 8.269 6.649 ( -1.887 -3.384 -7.644) 8.569 7.067 ( 1.357 7.241 -0.437) 7.380 7.266 ( 5.017 -1.095 -5.818) 7.760 7.695 ( 0.814 -0.484 1.999) 2.213 8.363 ( -11.940 6.348 -0.278) 13.526 12.528 ( 6.380 3.174 -5.829) 9.206 13.573 ( 1.178 -1.680 -1.726) 2.681 15.629 ( 7.374 -3.584 -2.447) 8.556 17.160 ( -0.610 -1.300 2.830) 3.174 18.529 ( -1.715 -0.756 -4.036) 4.450======================= Grid point 302 (148/468) =======================q-point: ( 0.45 0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 1.706 -0.000 -3.738) 4.109 2.381 ( -1.273 0.000 0.471) 1.357 2.540 ( -5.881 0.000 -3.134) 6.664 2.748 ( -3.138 0.000 7.484) 8.115 3.182 ( 0.610 -0.000 -0.116) 0.621 4.905 ( -4.536 0.000 22.897) 23.342 5.773 ( 1.097 -0.000 -7.001) 7.087 5.803 ( 1.868 -0.000 10.484) 10.649 6.174 ( -0.297 0.000 1.142) 1.180 6.499 ( -5.237 0.000 -9.703) 11.026 7.681 ( -1.434 0.000 5.963) 6.133 7.770 ( 1.878 -0.000 -2.014) 2.754 8.092 ( 12.272 -0.000 11.054) 16.516 12.493 ( -0.312 0.000 -1.473) 1.505 14.799 ( -3.451 0.000 -2.890) 4.501 15.444 ( 0.433 -0.000 -1.639) 1.695 16.768 ( 1.144 -0.000 -1.420) 1.823 17.499 ( -0.781 0.000 0.415) 0.885======================= Grid point 303 (149/468) =======================q-point: (-0.45 0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.770 ( -1.303 -18.681 -4.675) 19.301 2.293 ( 0.457 10.312 1.948) 10.504 2.501 ( -1.127 -0.317 -2.826) 3.059 2.732 ( -5.186 -3.537 6.704) 9.184 3.194 ( 0.021 -1.843 0.164) 1.850 4.885 ( -6.483 -2.009 19.686) 20.823 5.794 ( -1.306 -2.184 -1.688) 3.053 5.866 ( 2.082 -4.359 5.512) 7.329 6.198 ( 0.595 -2.105 0.588) 2.265 6.449 ( -0.655 -1.536 -7.920) 8.094 7.652 ( -0.211 3.090 5.194) 6.047 7.794 ( 0.162 -1.094 -1.915) 2.211 8.297 ( 11.226 -2.340 13.362) 17.608 12.471 ( -0.417 1.230 -2.045) 2.423 14.634 ( -4.560 14.130 -4.962) 15.655 15.397 ( 4.695 7.848 1.206) 9.224 16.923 ( -1.463 -17.080 -2.820) 17.373 17.532 ( 2.879 -4.059 1.685) 5.254======================= Grid point 304 (150/468) =======================q-point: (-0.36 0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( -2.953 -20.478 -4.698) 21.217 2.151 ( 2.928 13.139 5.702) 14.619 2.496 ( 0.440 -1.780 0.562) 1.918 2.700 ( -7.936 -2.320 1.370) 8.381 3.263 ( 1.535 -5.660 3.150) 6.657 4.886 ( -5.595 -5.438 15.505) 17.358 5.779 ( -3.719 -0.737 5.310) 6.524 6.019 ( 3.205 -11.037 -2.429) 11.747 6.229 ( 0.375 -0.804 -2.498) 2.651 6.496 ( 2.733 -4.313 -2.750) 5.799 7.613 ( 0.860 4.366 4.691) 6.466 7.794 ( -0.696 0.056 -1.746) 1.880 8.491 ( 6.417 -3.326 11.670) 13.726 12.462 ( 3.206 1.343 -1.774) 3.902 14.293 ( -4.950 20.530 -5.644) 21.860 15.397 ( 8.210 5.104 2.487) 9.982 17.076 ( -4.607 -9.766 -3.738) 11.427 17.740 ( 5.387 -15.617 1.771) 16.615======================= Grid point 305 (151/468) =======================q-point: (-0.27 0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 5.127 14.585 9.977) 18.400 2.190 ( -1.845 -6.843 -1.272) 7.201 2.549 ( -3.574 -0.228 0.426) 3.606 2.668 ( -5.350 -14.045 -2.683) 15.267 3.368 ( -0.759 -5.086 7.038) 8.716 4.975 ( -1.228 -9.932 12.117) 15.715 5.754 ( -3.662 -1.442 6.792) 7.850 6.209 ( 0.118 3.101 -3.847) 4.943 6.240 ( 3.173 -13.894 -6.696) 15.746 6.631 ( 4.462 -7.828 1.607) 9.153 7.564 ( 1.345 5.981 3.513) 7.066 7.769 ( -1.020 1.224 -1.222) 2.008 8.583 ( -1.172 -1.081 7.482) 7.650 12.518 ( 7.686 1.140 -1.672) 7.948 13.941 ( -3.944 17.303 -4.891) 18.408 15.469 ( 9.417 2.390 1.205) 9.790 17.101 ( -3.627 -3.792 -1.670) 5.507 18.061 ( 3.504 -18.363 -0.483) 18.701======================= Grid point 306 (152/468) =======================q-point: (-0.18 0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 5.736 14.504 12.585) 20.041 2.233 ( -1.490 -3.541 -1.103) 3.997 2.486 ( -1.976 0.141 1.398) 2.425 2.831 ( -3.322 -12.824 -1.998) 13.397 3.401 ( -5.747 -3.949 9.395) 11.700 5.170 ( 2.849 -10.607 11.653) 16.013 5.765 ( -2.107 -4.439 5.539) 7.404 6.130 ( -0.700 5.894 -3.545) 6.914 6.447 ( 2.878 -10.233 -6.694) 12.562 6.847 ( 5.795 -11.778 1.550) 13.218 7.484 ( 1.138 8.329 0.797) 8.444 7.730 ( -1.085 1.709 -0.637) 2.123 8.514 ( -7.818 3.422 3.607) 9.264 12.605 ( 8.387 2.272 -2.827) 9.138 13.692 ( -2.176 9.973 -3.910) 10.931 15.575 ( 8.153 0.044 -1.523) 8.294 17.107 ( -1.334 -2.313 1.385) 3.008 18.322 ( 0.745 -13.615 -2.837) 13.927======================= Grid point 307 (153/468) =======================q-point: (-0.09 0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( 5.657 10.519 12.010) 16.938 2.258 ( -0.528 -2.875 -2.849) 4.082 2.517 ( 2.098 -2.412 6.216) 6.990 2.895 ( -3.598 -2.958 0.300) 4.668 3.389 ( -8.558 -5.722 8.905) 13.612 5.337 ( 1.235 -3.240 13.677) 14.110 5.846 ( -0.718 -5.684 0.116) 5.730 6.049 ( 2.213 2.272 1.752) 3.624 6.575 ( 1.696 -4.773 -4.999) 7.117 7.092 ( 4.819 -8.704 -0.032) 9.949 7.360 ( 1.146 9.076 -4.687) 10.278 7.699 ( -0.544 0.362 -0.316) 0.726 8.308 ( -10.965 7.278 1.433) 13.238 12.648 ( 5.338 3.951 -4.618) 8.089 13.581 ( -0.174 2.467 -2.902) 3.813 15.661 ( 3.447 -1.271 -4.802) 6.046 17.147 ( 1.538 -2.308 4.435) 5.231 18.448 ( -2.049 -5.907 -4.912) 7.951======================= Grid point 314 (154/468) =======================q-point: (-0.45 -0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.554 ( -6.213 0.000 -4.377) 7.600 2.446 ( -0.078 0.000 -5.469) 5.470 2.481 ( 7.795 -0.000 -0.236) 7.798 2.620 ( -8.889 0.000 7.959) 11.931 3.166 ( -1.170 0.000 -0.428) 1.246 4.805 ( -7.993 0.000 17.263) 19.024 5.768 ( 0.755 -0.000 -7.317) 7.356 5.850 ( -2.176 0.000 14.133) 14.300 6.207 ( 2.110 -0.000 1.898) 2.838 6.442 ( 3.211 -0.000 -6.711) 7.439 7.679 ( -0.170 0.000 5.257) 5.260 7.779 ( -0.684 0.000 -1.714) 1.845 8.445 ( 7.935 -0.000 15.354) 17.283 12.483 ( 2.177 -0.000 -1.689) 2.755 14.651 ( -6.461 0.000 -6.666) 9.283 15.543 ( 6.595 -0.000 1.023) 6.673 16.785 ( 0.475 -0.000 -1.114) 1.211 17.538 ( 2.754 -0.000 0.446) 2.789======================= Grid point 315 (155/468) =======================q-point: (-0.36 -0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( -8.132 -21.599 -3.700) 23.373 2.371 ( 0.415 7.536 2.089) 7.832 2.497 ( -4.688 -0.477 -7.019) 8.454 2.584 ( -0.193 1.830 5.483) 5.783 3.202 ( 1.055 -5.382 1.224) 5.619 4.760 ( -6.588 -4.032 14.587) 16.506 5.759 ( -0.993 0.651 2.602) 2.860 5.898 ( -0.576 -7.108 4.874) 8.638 6.250 ( 2.928 -0.385 1.569) 3.344 6.500 ( 4.813 -1.598 -3.286) 6.043 7.678 ( 0.651 1.979 4.877) 5.303 7.765 ( -1.898 -0.822 -1.705) 2.681 8.552 ( 2.234 -0.517 14.021) 14.207 12.541 ( 7.410 0.429 -0.584) 7.446 14.444 ( -7.129 12.773 -7.217) 16.311 15.596 ( 8.197 5.407 0.872) 9.859 16.876 ( -1.096 -10.388 -1.589) 10.566 17.631 ( 3.275 -7.807 -0.592) 8.486======================= Grid point 316 (156/468) =======================q-point: (-0.27 -0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( -6.721 -26.109 -2.277) 27.056 2.252 ( -5.548 5.739 9.060) 12.075 2.436 ( -5.895 -3.197 -8.528) 10.849 2.539 ( 2.625 3.884 -0.322) 4.699 3.300 ( -0.640 -4.413 5.297) 6.924 4.832 ( -1.359 -10.290 12.247) 16.053 5.740 ( -1.205 1.318 9.715) 9.878 6.043 ( 0.754 -11.602 -4.824) 12.588 6.296 ( 4.354 0.981 1.696) 4.775 6.606 ( 4.819 -4.576 0.447) 6.661 7.657 ( 0.978 3.812 3.899) 5.539 7.743 ( -2.569 -0.869 -1.913) 3.319 8.564 ( -4.114 0.769 10.473) 11.278 12.661 ( 11.444 1.505 -0.231) 11.545 14.113 ( -6.172 17.084 -6.079) 19.154 15.635 ( 7.678 4.033 -1.207) 8.756 16.988 ( -1.298 -7.294 -0.434) 7.421 17.843 ( 2.010 -16.054 -2.862) 16.430======================= Grid point 317 (157/468) =======================q-point: (-0.18 -0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.025 ( -10.872 -3.505 0.047) 11.424 2.169 ( -0.968 -6.029 7.344) 9.550 2.412 ( -3.103 -4.028 -0.931) 5.169 2.595 ( 0.817 -8.718 -5.441) 10.310 3.303 ( -5.886 -0.503 9.469) 11.161 5.060 ( 4.067 -14.168 11.513) 18.703 5.733 ( -0.696 0.417 9.271) 9.306 6.158 ( 0.666 -2.274 -5.145) 5.664 6.390 ( 6.515 -4.611 -0.277) 7.987 6.769 ( 4.716 -9.089 1.619) 10.367 7.604 ( 0.668 6.204 1.567) 6.433 7.712 ( -2.677 -0.418 -2.068) 3.408 8.465 ( -8.181 3.505 6.752) 11.172 12.770 ( 10.007 4.569 -1.738) 11.137 13.806 ( -4.255 12.950 -4.577) 14.380 15.673 ( 4.662 2.112 -4.459) 6.788 17.064 ( 0.870 -4.128 2.637) 4.975 18.094 ( -0.269 -17.168 -5.368) 17.989======================= Grid point 318 (158/468) =======================q-point: (-0.09 -0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( -11.643 -1.428 2.008) 11.901 2.263 ( 2.291 -1.415 4.340) 5.108 2.464 ( -1.132 -6.384 4.304) 7.783 2.744 ( -1.176 -11.838 -5.553) 13.129 3.226 ( -8.287 -0.757 12.057) 14.650 5.328 ( 4.383 -8.301 14.502) 17.275 5.757 ( -0.654 -3.923 2.611) 4.757 6.151 ( 3.861 4.177 1.362) 5.849 6.543 ( 4.754 -4.422 -2.796) 7.069 6.996 ( 4.622 -12.345 -0.495) 13.191 7.498 ( 0.179 9.129 -3.019) 9.617 7.680 ( -2.129 -0.506 -2.125) 3.050 8.282 ( -8.543 7.019 4.070) 11.782 12.776 ( 3.951 6.736 -3.922) 8.739 13.625 ( -1.357 5.912 -3.460) 6.984 15.666 ( -0.910 1.222 -7.364) 7.520 17.154 ( 3.629 -3.125 5.705) 7.449 18.280 ( -2.058 -12.011 -6.918) 14.013======================= Grid point 326 (159/468) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.296 ( -10.880 0.000 -3.023) 11.293 2.302 ( -14.867 0.000 -1.530) 14.946 2.393 ( -4.005 0.000 -6.321) 7.483 2.711 ( 4.927 -0.000 5.943) 7.720 3.185 ( 3.956 -0.000 -0.723) 4.022 4.677 ( -4.636 0.000 14.321) 15.053 5.757 ( 0.699 -0.000 -7.517) 7.549 5.857 ( -1.151 0.000 18.418) 18.454 6.295 ( 3.591 -0.000 2.259) 4.243 6.556 ( 5.448 -0.000 -1.752) 5.723 7.711 ( 0.767 -0.000 4.654) 4.717 7.720 ( -3.178 0.000 -1.553) 3.537 8.577 ( -2.641 0.000 13.459) 13.715 12.684 ( 13.161 -0.000 1.013) 13.200 14.425 ( -7.157 0.000 -7.274) 10.204 15.740 ( 6.438 -0.000 -1.489) 6.608 16.784 ( -0.222 0.000 -0.974) 0.999 17.603 ( 1.492 -0.000 -3.012) 3.361======================= Grid point 327 (160/468) =======================q-point: (-0.27 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( -9.655 -26.362 -1.534) 28.116 2.078 ( -17.935 -0.913 -3.497) 18.296 2.315 ( -7.439 -2.163 -4.567) 8.993 2.699 ( 1.018 6.364 5.612) 8.546 3.276 ( 4.267 -1.691 1.254) 4.759 4.723 ( 0.819 -6.772 13.889) 15.473 5.763 ( 0.328 -0.489 1.155) 1.296 5.929 ( 1.649 -5.740 9.342) 11.088 6.360 ( 4.384 -0.854 2.415) 5.077 6.634 ( 5.032 -1.145 0.583) 5.194 7.676 ( -4.121 -1.291 -1.836) 4.692 7.716 ( 0.518 1.812 3.738) 4.186 8.531 ( -6.283 1.275 11.767) 13.400 12.881 ( 16.578 2.392 1.119) 16.787 14.229 ( -6.210 12.057 -6.056) 14.853 15.771 ( 4.081 3.844 -4.256) 7.039 16.856 ( -0.062 -9.137 -0.158) 9.138 17.662 ( -0.671 -8.731 -5.901) 10.559======================= Grid point 328 (161/468) =======================q-point: (-0.18 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( -7.357 -27.758 -0.251) 28.718 1.852 ( -18.864 -8.477 -4.231) 21.109 2.261 ( -8.040 -6.385 -1.020) 10.317 2.625 ( -2.463 3.615 5.989) 7.416 3.310 ( 2.384 3.976 5.466) 7.167 4.946 ( 5.889 -13.217 12.558) 19.160 5.768 ( -0.243 1.505 7.938) 8.083 6.096 ( 4.809 -8.600 0.025) 9.853 6.448 ( 5.899 -1.343 2.053) 6.389 6.733 ( 4.089 -4.197 1.623) 6.080 7.638 ( -4.323 -2.062 -3.287) 5.809 7.685 ( -0.094 3.708 2.429) 4.433 8.429 ( -6.703 3.405 10.491) 12.907 13.017 ( 13.152 8.584 -1.578) 15.785 13.928 ( -5.703 14.762 -4.526) 16.459 15.737 ( 0.385 3.501 -7.505) 8.290 17.010 ( 2.908 -8.428 3.546) 9.595 17.809 ( -2.858 -16.906 -9.140) 19.430======================= Grid point 329 (162/468) =======================q-point: (-0.09 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( -18.346 -6.226 -3.994) 19.781 2.083 ( -4.959 -22.631 4.004) 23.511 2.283 ( -7.385 -11.692 0.721) 13.848 2.573 ( -7.058 -5.227 7.262) 11.396 3.274 ( 4.123 8.107 8.229) 12.265 5.269 ( 7.027 -13.765 13.277) 20.375 5.744 ( -1.269 2.010 5.370) 5.872 6.252 ( 6.770 -1.188 1.906) 7.133 6.564 ( 5.740 -2.448 -1.282) 6.370 6.884 ( 3.233 -9.692 -0.642) 10.238 7.590 ( -2.254 2.477 -7.826) 8.513 7.628 ( -1.940 1.625 2.089) 3.282 8.310 ( -2.774 6.398 9.442) 11.738 12.948 ( 1.797 13.498 -5.250) 14.594 13.696 ( -2.129 8.081 -3.158) 8.933 15.644 ( -4.469 3.272 -9.353) 10.870 17.176 ( 5.736 -4.539 6.965) 10.100 18.013 ( -2.784 -18.486 -10.341) 21.364======================= Grid point 338 (163/468) =======================q-point: (-0.27 -0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( -11.806 0.000 -0.469) 11.815 1.790 ( -21.410 0.000 -7.104) 22.558 2.161 ( -10.684 0.000 -3.394) 11.210 2.697 ( -9.049 0.000 10.892) 14.161 3.368 ( 8.900 -0.000 -2.068) 9.137 4.744 ( 5.342 -0.000 16.222) 17.078 5.746 ( 0.690 -0.000 -7.077) 7.110 5.960 ( 3.114 -0.000 18.923) 19.178 6.415 ( 4.668 -0.000 1.790) 4.999 6.699 ( 4.841 -0.000 1.999) 5.238 7.597 ( -5.378 0.000 -1.591) 5.608 7.737 ( -0.308 0.000 2.937) 2.953 8.480 ( -6.065 0.000 13.239) 14.562 13.155 ( 19.312 -0.000 -0.062) 19.312 14.245 ( -3.912 0.000 -5.317) 6.601 15.819 ( 0.057 -0.000 -6.744) 6.744 16.766 ( -0.724 0.000 -1.053) 1.278 17.554 ( -3.799 0.000 -8.231) 9.065======================= Grid point 339 (164/468) =======================q-point: (-0.18 -0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.102 ( -8.303 -33.278 1.423) 34.327 1.483 ( -23.232 -2.226 -7.807) 24.610 2.041 ( -10.950 -5.034 -0.784) 12.077 2.551 ( -14.463 0.510 14.841) 20.729 3.464 ( 8.826 3.312 -0.382) 9.434 4.924 ( 8.567 -6.745 15.987) 19.351 5.767 ( 0.022 -2.262 -1.615) 2.780 6.083 ( 6.228 -4.882 10.687) 13.297 6.501 ( 5.395 -1.944 1.265) 5.872 6.765 ( 3.987 -0.239 2.221) 4.571 7.530 ( -5.978 -2.053 -2.327) 6.735 7.721 ( -0.894 1.628 1.975) 2.712 8.436 ( -1.689 2.308 16.430) 16.677 13.338 ( 14.589 8.536 -5.589) 17.803 14.061 ( -5.200 15.119 -4.999) 16.752 15.750 ( -3.473 3.516 -8.734) 10.035 16.890 ( 3.021 -15.224 1.957) 15.644 17.526 ( -6.729 -8.934 -10.499) 15.340======================= Grid point 340 (165/468) =======================q-point: (-0.09 -0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( -20.451 -6.517 -3.796) 21.798 1.565 ( -4.666 -38.188 2.438) 38.549 2.010 ( -9.831 -9.519 1.098) 13.729 2.377 ( -17.067 -2.747 19.159) 25.805 3.510 ( 8.918 7.477 3.293) 12.095 5.214 ( 9.157 -11.722 13.879) 20.344 5.768 ( -1.517 1.532 4.251) 4.767 6.298 ( 8.319 -7.417 1.673) 11.270 6.608 ( 5.215 -1.859 -0.700) 5.581 6.827 ( 2.164 -2.618 -0.377) 3.418 7.483 ( -5.913 -3.441 -5.469) 8.759 7.677 ( -0.648 3.343 0.356) 3.424 8.454 ( 8.031 5.714 18.818) 21.243 13.179 ( -4.280 21.856 -12.892) 25.733 13.783 ( -2.985 9.443 -2.113) 10.127 15.606 ( -6.074 4.449 -9.165) 11.861 17.205 ( 9.836 -8.670 9.058) 15.936 17.625 ( -6.143 -23.241 -14.246) 27.943======================= Grid point 350 (166/468) =======================q-point: (-0.18 -0.18 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.678 ( -10.071 0.000 4.357) 10.973 1.135 ( -22.714 0.000 -4.636) 23.183 1.848 ( -10.983 0.000 1.708) 11.115 2.351 ( -19.701 0.000 20.351) 28.325 3.600 ( 8.290 -0.000 -2.877) 8.775 5.044 ( 9.921 -0.000 19.470) 21.852 5.737 ( 0.526 -0.000 -5.899) 5.923 6.148 ( 4.961 -0.000 10.285) 11.419 6.563 ( 5.966 -0.000 0.453) 5.983 6.822 ( 3.435 -0.000 1.937) 3.944 7.419 ( -7.147 0.000 -1.757) 7.360 7.721 ( -1.286 0.000 1.957) 2.342 8.538 ( 9.103 -0.000 25.544) 27.118 13.547 ( 7.129 -0.000 -15.590) 17.143 14.119 ( -6.495 0.000 -11.249) 12.989 15.713 ( -3.929 0.000 -5.144) 6.473 16.738 ( -0.921 0.000 -1.344) 1.629 17.364 ( -5.588 0.000 -4.184) 6.981======================= Grid point 351 (167/468) =======================q-point: (-0.09 -0.18 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( -13.550 -14.845 2.254) 20.225 0.965 ( -5.585 -28.432 8.408) 30.170 1.769 ( -8.762 -6.277 4.360) 11.627 2.125 ( -21.139 -1.943 25.088) 32.864 3.690 ( 7.201 1.692 -0.969) 7.460 5.253 ( 9.627 -5.323 17.555) 20.717 5.752 ( -0.611 -1.641 -1.548) 2.337 6.268 ( 3.588 -7.608 -1.502) 8.545 6.657 ( 5.998 -0.986 -0.475) 6.097 6.859 ( 2.828 1.218 1.648) 3.492 7.335 ( -7.521 -2.748 -3.341) 8.676 7.695 ( -1.767 1.178 0.183) 2.132 8.795 ( 24.357 5.016 29.459) 38.552 13.301 ( -21.834 20.047 -32.357) 43.881 13.872 ( -4.417 9.612 -1.354) 10.664 15.598 ( -3.634 6.856 -3.870) 8.671 17.039 ( 3.138 -35.546 -5.878) 36.165 17.342 ( 3.166 -0.175 5.963) 6.753======================= Grid point 362 (168/468) =======================q-point: (-0.09 -0.09 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.516 ( -3.183 0.000 12.165) 12.574 0.819 ( 2.815 -0.000 22.011) 22.190 1.638 ( -5.039 0.000 7.790) 9.277 1.871 ( -21.354 0.000 30.346) 37.107 3.772 ( 5.084 -0.000 -3.097) 5.953 5.371 ( 7.271 -0.000 18.752) 20.113 5.725 ( 0.198 -0.000 -4.729) 4.733 6.204 ( -1.786 0.000 -6.855) 7.084 6.744 ( 7.460 -0.000 -1.156) 7.549 6.916 ( 2.619 -0.000 5.080) 5.715 7.200 ( -8.355 0.000 -1.860) 8.559 7.666 ( -3.264 0.000 -0.451) 3.295 9.329 ( 34.379 -0.000 23.754) 41.788 12.883 ( -48.375 0.000 -39.538) 62.478 13.901 ( -1.475 0.000 0.867) 1.712 15.651 ( -1.334 0.000 -1.162) 1.769 16.708 ( -0.795 0.000 -1.758) 1.929 17.521 ( 19.840 -0.000 13.777) 24.154======================= Grid point 363 (169/468) =======================q-point: ( 0.00 0.00 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( 4.823 -0.000 15.328) 16.069 1.623 ( -2.015 0.000 26.077) 26.155 1.905 ( 3.718 -0.000 11.970) 12.534 2.500 ( 7.943 -0.000 32.974) 33.917 3.755 ( 1.461 -0.000 -5.637) 5.824 5.588 ( -10.571 0.000 2.646) 10.897 5.606 ( 0.077 -0.000 -5.463) 5.463 6.098 ( 8.204 -0.000 -0.529) 8.221 6.895 ( 5.956 -0.000 -3.059) 6.696 6.927 ( -6.396 0.000 -1.566) 6.585 7.105 ( -7.556 0.000 9.905) 12.458 7.706 ( 5.465 -0.000 6.428) 8.437 9.146 ( -28.723 0.000 -6.048) 29.352 12.121 ( -0.648 0.000 -6.044) 6.078 14.161 ( 9.693 -0.000 9.067) 13.272 15.634 ( 3.918 -0.000 -1.307) 4.130 16.634 ( -0.477 0.000 -2.646) 2.689 18.136 ( 11.859 -0.000 -6.178) 13.372======================= Grid point 364 (170/468) =======================q-point: ( 0.09 0.00 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( 4.812 -25.383 11.878) 28.435 1.614 ( -5.262 -0.197 26.837) 27.349 2.031 ( 5.446 -4.594 11.127) 13.213 2.727 ( 13.765 -0.290 27.616) 30.858 3.777 ( -1.474 -3.484 -4.100) 5.579 5.467 ( -8.724 -1.592 1.370) 8.974 5.660 ( 0.933 -8.196 -6.720) 10.639 6.194 ( 6.010 1.168 0.057) 6.123 6.766 ( -8.671 5.318 -0.688) 10.195 6.967 ( -0.233 1.154 5.577) 5.700 7.057 ( -1.714 -4.099 2.042) 4.890 7.801 ( 5.826 0.329 7.949) 9.861 8.711 ( -27.000 3.519 -1.798) 27.288 12.111 ( 0.298 -1.109 -10.036) 10.101 14.203 ( 9.345 14.578 8.249) 19.181 15.657 ( 6.663 4.828 -1.924) 8.450 16.757 ( -0.826 -15.930 -2.481) 16.143 18.239 ( 4.826 -0.839 -9.256) 10.472======================= Grid point 365 (171/468) =======================q-point: ( 0.18 0.00 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( -1.562 -4.033 24.229) 24.612 1.757 ( 4.990 -26.707 9.844) 28.897 2.202 ( 5.408 -5.234 8.547) 11.388 2.943 ( 10.564 1.110 20.015) 22.659 3.776 ( -4.590 -2.440 -0.781) 5.257 5.410 ( -6.437 -4.386 1.905) 8.019 5.821 ( 2.357 -12.058 -9.706) 15.657 6.210 ( 0.841 3.198 0.825) 3.408 6.570 ( -5.053 7.327 2.256) 9.182 6.921 ( -7.291 -1.669 9.801) 12.329 7.141 ( 5.872 -1.502 -4.285) 7.422 7.865 ( 3.100 1.972 7.097) 7.991 8.359 ( -19.862 0.132 -1.581) 19.926 12.135 ( 1.771 -3.655 -10.071) 10.859 14.066 ( 7.123 20.294 5.867) 22.294 15.676 ( 6.106 4.395 -3.165) 8.162 16.983 ( -0.215 -15.370 -0.333) 15.375 18.267 ( -1.403 -3.130 -9.635) 10.228======================= Grid point 366 (172/468) =======================q-point: ( 0.27 0.00 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.728 ( 4.682 -3.442 22.708) 23.440 2.198 ( 4.847 -19.352 6.563) 21.002 2.346 ( 2.904 -5.674 4.519) 7.813 3.043 ( 3.697 3.012 12.109) 13.014 3.722 ( -6.668 -0.821 2.045) 7.023 5.425 ( -4.266 -6.741 3.516) 8.719 5.945 ( 0.766 0.471 -2.723) 2.868 6.198 ( -1.882 -8.375 -5.105) 9.987 6.455 ( 2.934 8.138 3.509) 9.335 6.873 ( -7.045 -3.318 6.101) 9.892 7.219 ( 5.802 0.648 -4.963) 7.663 7.851 ( 0.148 4.177 4.510) 6.149 8.163 ( -14.713 -5.310 -1.385) 15.703 12.228 ( 4.041 -6.080 -8.199) 10.979 13.872 ( 4.841 18.438 2.867) 19.277 15.670 ( 2.778 3.962 -4.600) 6.676 17.171 ( 1.838 -8.544 3.106) 9.275 18.269 ( -5.193 -6.337 -9.312) 12.403======================= Grid point 367 (173/468) =======================q-point: ( 0.36 0.00 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 8.839 -5.140 19.858) 22.335 2.329 ( 1.519 4.086 0.735) 4.421 2.554 ( 1.318 -13.375 4.542) 14.187 3.013 ( -2.360 4.283 5.304) 7.214 3.635 ( -7.489 0.290 4.694) 8.843 5.494 ( -2.986 -8.129 5.733) 10.385 5.871 ( -0.951 5.614 3.901) 6.902 6.345 ( 1.241 -10.156 -13.946) 17.297 6.405 ( 7.549 9.737 7.865) 14.617 6.868 ( -6.772 -8.922 0.594) 11.216 7.253 ( 4.420 3.091 -5.242) 7.521 7.790 ( -0.946 4.042 2.414) 4.802 8.079 ( -12.170 -8.014 -0.627) 14.586 12.368 ( 4.652 -6.581 -6.453) 10.324 13.694 ( 2.658 13.423 0.137) 13.684 15.618 ( -1.332 3.071 -5.863) 6.751 17.293 ( 3.922 -2.046 5.949) 7.414 18.271 ( -6.324 -7.195 -8.934) 13.099======================= Grid point 368 (174/468) =======================q-point: ( 0.45 0.00 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.089 ( -2.510 3.971 10.865) 11.837 2.294 ( 7.032 -0.661 3.434) 7.854 2.694 ( 1.357 -2.170 4.991) 5.609 2.896 ( -5.277 4.594 -0.179) 6.999 3.535 ( -6.980 1.766 8.562) 11.187 5.592 ( -2.676 -8.758 7.936) 12.118 5.811 ( 1.305 4.368 2.055) 5.000 6.358 ( 7.454 8.337 3.430) 11.698 6.468 ( 3.506 -1.747 -6.704) 7.764 6.959 ( -5.909 -15.795 -5.061) 17.607 7.224 ( 2.440 6.056 -5.610) 8.608 7.725 ( -1.917 2.740 1.558) 3.689 8.060 ( -8.500 -9.171 0.341) 12.509 12.497 ( 2.765 -5.601 -5.546) 8.353 13.568 ( 1.097 7.181 -1.740) 7.470 15.529 ( -4.755 1.484 -6.473) 8.167 17.366 ( 4.688 1.585 6.822) 8.428 18.257 ( -5.133 -3.613 -8.172) 10.305======================= Grid point 369 (175/468) =======================q-point: (-0.45 0.00 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.852 ( -10.069 12.544 1.237) 16.132 2.421 ( -2.297 -0.997 8.107) 8.485 2.683 ( -0.145 8.077 4.389) 9.194 2.807 ( 4.603 2.042 1.767) 5.336 3.439 ( -5.332 1.778 12.044) 13.291 5.687 ( -3.328 -6.256 0.575) 7.109 5.777 ( 3.954 5.022 8.300) 10.476 6.389 ( 9.407 4.563 7.196) 12.692 6.497 ( 1.469 -0.596 -8.786) 8.928 7.103 ( -4.541 -12.539 -12.174) 18.057 7.124 ( -0.478 5.789 -2.648) 6.384 7.670 ( -2.374 1.029 2.062) 3.309 8.128 ( -2.455 -10.868 1.795) 11.286 12.574 ( -1.208 -5.065 -5.627) 7.667 13.516 ( 0.500 0.977 -2.599) 2.822 15.431 ( -6.359 -0.544 -6.025) 8.777 17.407 ( 3.870 2.461 5.769) 7.370 18.191 ( -2.342 3.978 -7.045) 8.422======================= Grid point 370 (176/468) =======================q-point: (-0.36 0.00 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( -8.710 12.983 3.420) 16.004 2.294 ( -8.958 5.891 5.428) 12.018 2.475 ( -3.038 17.833 3.358) 18.399 2.869 ( 1.841 4.770 12.882) 13.859 3.452 ( 2.977 -4.462 10.436) 11.734 5.632 ( 2.333 7.923 -8.159) 11.610 5.855 ( -0.187 -5.021 16.429) 17.180 6.434 ( 2.380 4.090 -6.031) 7.666 6.560 ( 7.703 -2.769 2.233) 8.485 6.964 ( -1.772 8.555 -5.546) 10.348 7.205 ( -5.922 -10.489 -9.559) 15.377 7.647 ( -1.623 -0.781 3.546) 3.978 8.332 ( 5.213 -14.811 3.431) 16.072 12.587 ( -6.783 -5.913 -6.768) 11.260 13.540 ( 0.364 -3.932 -2.518) 4.683 15.359 ( -5.707 -2.628 -4.523) 7.742 17.426 ( 1.645 1.473 3.466) 4.109 18.046 ( 1.968 13.888 -5.495) 15.064======================= Grid point 371 (177/468) =======================q-point: (-0.27 0.00 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( -0.712 10.137 11.047) 15.009 2.085 ( -6.722 13.672 7.844) 17.135 2.125 ( -2.457 21.729 4.800) 22.388 2.756 ( -8.861 6.806 21.556) 24.280 3.635 ( 7.627 -5.135 5.407) 10.667 5.552 ( 6.214 7.794 -8.073) 12.827 5.923 ( -3.941 -2.957 14.603) 15.412 6.341 ( -0.560 7.205 -14.006) 15.761 6.701 ( 6.827 1.897 2.572) 7.538 6.871 ( 1.675 -0.515 1.682) 2.429 7.208 ( -6.914 -4.940 -7.256) 11.174 7.654 ( -1.658 -1.705 3.099) 3.907 8.708 ( 11.160 -20.031 4.021) 23.280 12.524 ( -13.250 -5.998 -8.251) 16.722 13.621 ( 0.146 -7.335 -1.120) 7.421 15.343 ( -3.244 -4.813 -2.477) 6.311 17.400 ( -3.609 2.929 -1.125) 4.782 17.854 ( 10.188 20.439 -1.574) 22.891======================= Grid point 372 (178/468) =======================q-point: (-0.18 0.00 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.265 ( 7.556 9.414 16.561) 20.494 1.670 ( 0.510 29.722 11.935) 32.033 1.950 ( -2.729 6.612 10.016) 12.308 2.569 ( -11.847 5.331 27.579) 30.486 3.765 ( 5.495 0.987 0.158) 5.585 5.559 ( 8.407 3.124 -7.294) 11.560 5.879 ( -8.341 0.657 9.898) 12.961 6.170 ( -0.467 10.591 -12.444) 16.348 6.730 ( 4.522 1.265 -0.515) 4.723 6.990 ( 3.219 -4.815 4.426) 7.290 7.154 ( -4.954 -1.082 -0.290) 5.079 7.652 ( -1.949 -0.878 1.783) 2.784 9.161 ( 7.149 -21.445 -0.606) 22.614 12.364 ( -16.371 -2.533 -6.901) 17.946 13.754 ( 1.076 -10.100 2.394) 10.435 15.404 ( -0.230 -7.439 -0.928) 7.500 17.174 ( -5.964 17.444 -5.288) 19.179 17.817 ( 16.594 10.277 2.236) 19.646======================= Grid point 373 (179/468) =======================q-point: (-0.09 0.00 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 3.235 26.483 12.384) 29.414 1.544 ( 7.132 3.537 24.052) 25.335 1.884 ( 1.292 4.525 12.182) 13.060 2.437 ( -6.153 2.606 32.571) 33.249 3.770 ( 3.225 4.365 -4.291) 6.918 5.615 ( 3.871 1.156 -6.734) 7.853 5.743 ( -10.138 1.996 5.148) 11.544 6.040 ( 4.282 5.903 -4.583) 8.613 6.800 ( 6.776 -0.141 -1.746) 6.999 7.013 ( -7.955 -3.521 -2.621) 9.085 7.147 ( 0.134 0.878 9.967) 10.006 7.650 ( 0.964 -0.058 2.957) 3.111 9.383 ( -12.825 -12.407 -8.238) 19.654 12.184 ( -8.504 0.359 -2.988) 9.021 13.954 ( 5.256 -9.938 6.944) 13.214 15.532 ( 1.826 -7.984 -0.808) 8.230 16.815 ( -2.492 19.458 -3.688) 19.961 17.962 ( 16.212 2.515 -0.882) 16.430======================= Grid point 375 (180/468) =======================q-point: ( 0.09 0.09 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 5.602 -0.000 12.525) 13.721 1.612 ( -1.632 0.000 26.902) 26.951 2.117 ( 8.154 -0.000 9.900) 12.826 2.969 ( 13.042 -0.000 22.493) 26.001 3.709 ( -3.292 0.000 -5.269) 6.213 5.354 ( -7.613 0.000 5.992) 9.688 5.583 ( 0.150 -0.000 -6.270) 6.272 6.282 ( 3.786 -0.000 0.539) 3.824 6.694 ( -7.817 0.000 -1.132) 7.898 6.877 ( -9.133 0.000 13.992) 16.709 7.114 ( 8.498 -0.000 -3.108) 9.049 7.886 ( 3.482 -0.000 7.339) 8.123 8.378 ( -23.988 0.000 1.253) 24.021 12.078 ( 0.092 -0.000 -11.468) 11.469 14.470 ( 9.362 -0.000 7.735) 12.144 15.771 ( 5.039 -0.000 -4.177) 6.545 16.620 ( 0.299 -0.000 -2.664) 2.681 18.238 ( -1.318 0.000 -10.625) 10.706======================= Grid point 376 (181/468) =======================q-point: ( 0.18 0.09 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( 4.655 -22.398 9.303) 24.696 1.694 ( 4.972 -1.165 23.845) 24.386 2.268 ( 8.690 -1.754 7.957) 11.912 3.135 ( 7.387 2.330 15.471) 17.302 3.658 ( -6.014 -2.566 -3.904) 7.615 5.290 ( -5.595 -2.043 7.367) 9.474 5.649 ( 0.684 -9.759 -7.350) 12.236 6.262 ( -3.559 4.127 4.566) 7.110 6.586 ( -4.446 0.987 0.053) 4.555 6.828 ( -3.662 -0.166 12.556) 13.081 7.223 ( 7.997 -0.110 -3.396) 8.689 7.914 ( -1.320 -0.016 4.556) 4.743 8.096 ( -16.919 0.354 1.226) 16.967 12.089 ( 2.194 -2.823 -9.401) 10.058 14.467 ( 7.648 17.231 6.041) 19.796 15.780 ( 1.991 3.315 -5.931) 7.080 16.750 ( 0.932 -15.573 -1.662) 15.689 18.169 ( -5.956 -0.820 -9.864) 11.552======================= Grid point 377 (182/468) =======================q-point: ( 0.27 0.09 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( 9.756 -9.314 15.752) 20.738 1.904 ( 3.780 -20.257 10.520) 23.136 2.405 ( 6.905 0.348 4.947) 8.501 3.157 ( 0.291 4.858 8.432) 9.736 3.594 ( -8.228 -2.663 -1.235) 8.736 5.294 ( -3.642 -4.923 8.165) 10.206 5.828 ( 1.358 -14.178 -8.804) 16.744 6.127 ( -6.319 4.660 8.149) 11.316 6.555 ( -1.510 -1.302 1.370) 2.419 6.803 ( -0.566 3.189 8.361) 8.967 7.309 ( 6.428 1.236 -4.086) 7.717 7.864 ( -9.762 -3.606 -0.331) 10.412 7.930 ( -5.640 2.149 2.588) 6.567 12.182 ( 4.608 -5.516 -6.409) 9.630 14.260 ( 5.461 23.528 3.298) 24.378 15.716 ( -2.202 3.465 -6.956) 8.077 17.025 ( 3.093 -17.139 1.479) 17.479 18.079 ( -8.630 -3.640 -9.162) 13.102======================= Grid point 378 (183/468) =======================q-point: ( 0.36 0.09 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.068 ( 12.205 -1.432 17.839) 21.662 2.304 ( 1.570 -23.453 3.650) 23.787 2.436 ( 2.664 5.634 1.093) 6.327 3.055 ( -4.825 5.849 2.829) 8.093 3.520 ( -7.885 -2.589 2.859) 8.778 5.357 ( -2.512 -6.869 9.009) 11.604 5.931 ( -1.723 2.835 7.073) 7.813 6.128 ( -0.579 -14.783 -10.077) 17.900 6.577 ( -0.900 -3.472 3.363) 4.916 6.745 ( -0.245 5.847 3.603) 6.872 7.335 ( 2.974 2.842 -5.008) 6.481 7.795 ( -7.200 -2.482 -0.633) 7.642 7.864 ( -2.489 -0.714 1.442) 2.964 12.325 ( 4.702 -6.072 -4.365) 8.834 13.990 ( 3.140 21.610 0.635) 21.846 15.598 ( -5.913 2.997 -7.197) 9.785 17.294 ( 5.819 -9.760 5.355) 12.562 18.021 ( -9.523 -8.705 -9.591) 16.077======================= Grid point 379 (184/468) =======================q-point: ( 0.45 0.09 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.185 ( -0.393 7.599 9.922) 12.504 2.376 ( 2.141 1.757 2.753) 3.905 2.618 ( 4.845 -13.857 4.262) 15.286 2.901 ( -5.148 5.514 0.305) 7.550 3.469 ( -5.753 -1.356 7.226) 9.335 5.450 ( -2.357 -7.650 9.564) 12.472 5.879 ( -0.218 2.956 8.022) 8.552 6.321 ( 0.989 -12.595 -14.926) 19.555 6.649 ( -4.062 2.826 -1.563) 5.190 6.659 ( 2.214 -5.454 4.370) 7.331 7.293 ( -0.220 3.856 -5.675) 6.865 7.725 ( -3.361 1.673 0.010) 3.754 7.900 ( 0.813 -4.868 1.128) 5.063 12.442 ( 1.862 -4.550 -3.728) 6.170 13.748 ( 1.422 15.721 -1.208) 15.831 15.453 ( -7.731 1.867 -6.379) 10.195 17.455 ( 4.953 -0.461 6.129) 7.894 18.046 ( -6.294 -12.255 -8.486) 16.180======================= Grid point 380 (185/468) =======================q-point: (-0.45 0.09 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( -6.582 14.976 2.076) 16.489 2.369 ( -6.806 0.169 7.619) 10.218 2.770 ( -3.147 4.887 0.989) 5.896 2.882 ( 10.465 -5.329 7.619) 13.999 3.424 ( -3.534 0.689 9.577) 10.231 5.540 ( -3.379 -7.442 8.220) 11.591 5.876 ( 1.991 1.535 5.189) 5.766 6.442 ( 0.975 -5.734 -12.039) 13.371 6.561 ( -0.883 1.932 -0.567) 2.199 6.807 ( -1.397 -12.505 -4.366) 13.319 7.199 ( -1.220 6.000 -5.258) 8.071 7.668 ( -1.267 1.913 1.488) 2.735 8.024 ( 5.362 -6.452 1.216) 8.477 12.480 ( -2.726 -2.507 -4.034) 5.476 13.585 ( 0.707 8.254 -2.198) 8.571 15.324 ( -7.013 0.139 -4.540) 8.355 17.482 ( 0.621 2.221 2.806) 3.632 18.140 ( 0.063 -7.137 -4.742) 8.569======================= Grid point 381 (186/468) =======================q-point: (-0.36 0.09 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( -3.340 14.181 4.969) 15.393 2.240 ( -9.518 3.000 9.071) 13.486 2.630 ( -3.579 9.764 5.300) 11.672 3.011 ( 2.527 5.798 10.236) 12.033 3.459 ( 4.423 -4.550 9.224) 11.196 5.599 ( -3.762 -5.843 2.596) 7.418 5.893 ( 2.357 1.977 5.695) 6.473 6.425 ( -3.287 -0.172 -10.598) 11.097 6.638 ( 5.566 -5.701 -0.206) 7.971 6.910 ( -5.008 -7.748 -13.051) 15.983 7.090 ( 0.359 5.528 0.911) 5.614 7.642 ( -0.169 1.059 3.193) 3.368 8.247 ( 9.447 -10.553 0.282) 14.167 12.430 ( -6.902 -1.204 -4.379) 8.262 13.521 ( 0.454 1.367 -2.591) 2.965 15.251 ( -4.222 -1.759 -2.305) 5.122 17.443 ( -2.400 1.368 0.060) 2.763 18.205 ( 4.895 2.295 -2.419) 5.923======================= Grid point 382 (187/468) =======================q-point: (-0.27 0.09 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 4.223 9.806 11.747) 15.874 2.093 ( -6.817 4.501 12.293) 14.760 2.408 ( -3.937 15.740 8.016) 18.097 2.864 ( -3.753 13.870 15.380) 21.048 3.657 ( 6.810 -6.781 7.192) 12.004 5.626 ( -0.593 -3.041 -3.634) 4.776 5.889 ( -0.890 2.615 5.132) 5.828 6.363 ( -1.862 0.969 -10.661) 10.866 6.806 ( 4.239 -7.121 -3.230) 8.895 6.827 ( -4.488 3.228 -8.706) 10.313 7.089 ( 0.548 -1.582 5.323) 5.580 7.640 ( 0.138 0.396 3.518) 3.543 8.571 ( 8.855 -16.168 -2.348) 18.583 12.323 ( -8.501 -0.146 -3.983) 9.388 13.540 ( 0.267 -3.834 -1.912) 4.293 15.254 ( -0.372 -3.515 -0.488) 3.568 17.380 ( -3.970 1.632 -1.274) 4.477 18.198 ( 8.460 10.005 -2.017) 13.256======================= Grid point 383 (188/468) =======================q-point: (-0.18 0.09 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( 7.853 5.410 16.748) 19.272 1.956 ( -4.273 11.697 13.787) 18.578 2.142 ( 0.685 16.482 10.924) 19.786 2.642 ( -3.710 12.996 22.170) 25.965 3.813 ( 3.307 -2.870 4.151) 6.034 5.673 ( 2.781 -2.412 -5.058) 6.256 5.800 ( -3.531 5.392 -2.221) 6.817 6.277 ( -0.885 6.583 -7.826) 10.265 6.749 ( -3.713 -2.946 -1.435) 4.952 6.902 ( 0.139 -3.309 -7.485) 8.185 7.145 ( 1.384 -1.145 10.988) 11.134 7.650 ( 1.543 0.245 3.622) 3.944 8.876 ( -1.920 -18.084 -6.204) 19.214 12.206 ( -5.591 1.219 -3.148) 6.531 13.637 ( 1.430 -8.798 1.156) 8.988 15.338 ( 3.594 -5.022 0.347) 6.185 17.262 ( -4.520 7.131 -2.055) 8.689 18.167 ( 10.865 10.696 -3.064) 15.551======================= Grid point 384 (189/468) =======================q-point: (-0.09 0.09 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.548 ( 6.820 17.930 13.673) 23.557 1.665 ( -5.906 12.329 18.808) 23.252 2.048 ( 3.681 8.392 12.798) 15.741 2.559 ( 5.587 5.365 28.583) 29.614 3.841 ( 0.127 2.264 -0.353) 2.295 5.625 ( -9.398 2.500 -0.541) 9.740 5.740 ( 6.910 5.573 -10.652) 13.866 6.160 ( 1.184 5.265 -1.599) 5.628 6.776 ( -6.616 -8.221 0.334) 10.558 6.916 ( 2.929 0.582 -3.924) 4.931 7.154 ( -3.750 1.548 8.752) 9.646 7.704 ( 4.996 -0.240 6.077) 7.871 8.942 ( -19.028 -11.774 -6.682) 23.352 12.140 ( -0.442 1.349 -5.275) 5.463 13.858 ( 5.531 -14.728 5.989) 16.834 15.488 ( 6.344 -5.852 -0.152) 8.632 17.035 ( -3.139 15.926 -2.438) 16.414 18.189 ( 9.788 4.920 -5.841) 12.414======================= Grid point 387 (190/468) =======================q-point: ( 0.18 0.18 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( 4.329 -0.000 8.042) 9.133 1.845 ( 10.988 -0.000 20.544) 23.298 2.400 ( 9.688 -0.000 6.726) 11.793 3.240 ( 1.036 -0.000 9.197) 9.255 3.537 ( -7.602 0.000 -4.858) 9.022 5.228 ( -4.250 0.000 11.892) 12.628 5.572 ( 1.117 -0.000 -7.473) 7.556 6.235 ( -7.265 0.000 11.207) 13.356 6.494 ( -6.646 0.000 -0.509) 6.666 6.871 ( 3.569 -0.000 10.479) 11.070 7.326 ( 7.854 -0.000 -2.821) 8.345 7.791 ( -13.237 0.000 -2.088) 13.400 7.986 ( -4.036 0.000 5.180) 6.567 12.096 ( 4.598 -0.000 -6.290) 7.791 14.716 ( 6.853 -0.000 5.199) 8.602 15.790 ( -2.371 0.000 -7.732) 8.087 16.629 ( 1.119 -0.000 -2.475) 2.716 18.044 ( -8.685 0.000 -8.390) 12.076======================= Grid point 388 (191/468) =======================q-point: ( 0.27 0.18 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( 3.143 -21.306 4.832) 22.072 2.054 ( 13.811 0.117 17.128) 22.003 2.532 ( 8.039 1.199 4.579) 9.329 3.196 ( -5.510 3.122 3.305) 7.143 3.433 ( -8.799 -2.349 -3.516) 9.762 5.225 ( -2.224 -2.165 13.413) 13.768 5.645 ( 1.434 -9.547 -8.709) 13.002 6.130 ( -6.798 3.991 15.416) 17.315 6.439 ( -5.976 -3.883 0.508) 7.144 6.910 ( 2.028 3.267 6.166) 7.267 7.408 ( 5.986 1.899 -3.180) 7.039 7.654 ( -8.060 -3.654 -2.059) 9.086 7.933 ( -3.189 2.002 3.837) 5.376 12.187 ( 6.629 -2.814 -3.073) 7.830 14.658 ( 4.879 18.923 2.722) 19.730 15.689 ( -6.059 3.111 -7.953) 10.471 16.793 ( 2.502 -18.344 -1.057) 18.544 17.907 ( -9.660 -0.614 -6.938) 11.909======================= Grid point 389 (192/468) =======================q-point: ( 0.36 0.18 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( 0.767 -25.839 2.200) 25.944 2.276 ( 13.633 -0.928 13.901) 19.493 2.564 ( 2.599 6.330 1.518) 7.009 3.041 ( -8.470 4.163 -0.165) 9.439 3.369 ( -6.923 -4.460 0.647) 8.261 5.279 ( -0.786 -3.973 13.942) 14.519 5.825 ( 1.187 -14.442 -11.048) 18.221 6.024 ( -4.404 3.690 15.331) 16.372 6.432 ( -5.742 -5.659 0.734) 8.095 6.850 ( -3.306 4.194 0.708) 5.387 7.409 ( 2.956 4.427 -2.838) 6.032 7.682 ( 1.831 -4.237 0.187) 4.620 7.870 ( -2.078 1.856 2.558) 3.783 12.320 ( 5.904 -3.507 -1.398) 7.008 14.377 ( 2.571 25.446 0.032) 25.576 15.527 ( -8.282 3.189 -6.846) 11.209 17.154 ( 5.521 -22.097 1.995) 22.863 17.778 ( -10.220 -2.451 -6.979) 12.616======================= Grid point 390 (193/468) =======================q-point: ( 0.45 0.18 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( -2.991 -8.010 3.940) 9.414 2.410 ( -5.855 6.981 -2.275) 9.391 2.549 ( 10.441 -8.214 8.412) 15.724 2.909 ( -2.255 2.395 2.279) 4.002 3.366 ( -4.691 -4.572 4.439) 7.913 5.363 ( -0.728 -4.694 14.165) 14.940 5.928 ( -1.019 1.942 9.538) 9.787 6.069 ( -0.770 -15.747 -11.908) 19.758 6.438 ( -6.183 -5.864 -1.795) 8.708 6.740 ( -5.065 1.274 -1.504) 5.435 7.369 ( 3.469 6.537 -0.981) 7.465 7.736 ( 1.619 2.243 1.087) 2.972 7.893 ( 4.732 -3.672 1.768) 6.245 12.416 ( 2.187 -1.956 -1.484) 3.288 14.043 ( 0.922 22.913 -1.590) 22.987 15.362 ( -7.893 2.363 -4.634) 9.453 17.501 ( 6.377 -6.549 5.589) 10.714 17.717 ( -8.635 -15.443 -8.879) 19.796======================= Grid point 391 (194/468) =======================q-point: (-0.45 0.18 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.075 ( -5.781 12.943 -1.533) 14.258 2.282 ( -7.864 -0.306 8.201) 11.366 2.749 ( -0.229 -3.513 -0.127) 3.523 2.971 ( 8.292 -3.703 10.424) 13.825 3.381 ( -2.600 -3.390 5.653) 7.086 5.434 ( -2.826 -4.284 12.848) 13.835 5.920 ( 0.993 0.766 6.733) 6.849 6.265 ( -0.670 -16.266 -16.572) 23.231 6.402 ( -7.756 -3.348 -5.666) 10.172 6.711 ( -2.658 -4.924 -0.869) 5.662 7.310 ( 3.606 8.316 0.584) 9.083 7.708 ( 0.976 3.287 2.011) 3.976 8.064 ( 10.416 -4.243 1.170) 11.308 12.421 ( -2.396 0.286 -2.409) 3.409 13.763 ( 0.192 16.064 -2.315) 16.232 15.240 ( -5.058 1.011 -1.887) 5.493 17.491 ( -4.248 1.811 -1.348) 4.810 17.978 ( 3.743 -17.491 -1.350) 17.938======================= Grid point 392 (195/468) =======================q-point: (-0.36 0.18 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( -2.124 11.885 2.582) 12.347 2.189 ( -6.096 2.327 12.570) 14.162 2.700 ( -3.462 5.580 4.165) 7.776 3.108 ( 1.231 0.635 9.293) 9.396 3.465 ( 4.808 -5.942 6.382) 9.958 5.468 ( -4.375 -5.078 8.205) 10.595 5.944 ( 1.522 0.467 2.773) 3.198 6.325 ( -6.145 -2.092 -7.170) 9.672 6.453 ( -1.297 -15.841 -17.089) 23.338 6.775 ( -0.895 -6.518 -1.271) 6.701 7.233 ( 3.283 9.105 2.888) 10.101 7.685 ( 1.227 2.702 3.228) 4.385 8.288 ( 12.328 -4.872 -0.283) 13.259 12.348 ( -4.674 1.711 -2.980) 5.801 13.586 ( -0.005 8.061 -2.641) 8.483 15.194 ( -1.051 -0.619 0.416) 1.289 17.404 ( -5.034 0.554 -2.082) 5.476 18.230 ( 5.738 -8.293 -0.581) 10.101======================= Grid point 393 (196/468) =======================q-point: (-0.27 0.18 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 1.756 7.535 9.330) 12.121 2.124 ( -0.672 3.667 16.596) 17.009 2.537 ( -5.122 9.895 7.857) 13.634 3.039 ( -1.475 9.482 9.074) 13.207 3.658 ( 5.475 -6.814 7.255) 11.360 5.513 ( -2.806 -6.712 3.207) 7.950 5.937 ( 0.090 2.726 -1.532) 3.128 6.280 ( -4.482 -3.801 -4.174) 7.208 6.587 ( -3.531 -10.908 -20.193) 23.221 6.855 ( 2.469 -3.065 -0.412) 3.957 7.166 ( 2.135 5.811 7.221) 9.512 7.678 ( 1.465 1.823 4.055) 4.681 8.514 ( 8.123 -6.602 -2.990) 10.886 12.256 ( -3.134 2.246 -3.098) 4.946 13.517 ( 0.098 1.046 -2.316) 2.543 15.232 ( 3.102 -2.360 1.588) 4.209 17.333 ( -4.354 0.115 -1.159) 4.507 18.364 ( 5.931 0.217 -1.915) 6.236======================= Grid point 394 (197/468) =======================q-point: (-0.18 0.18 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( -0.048 3.768 16.323) 16.752 2.127 ( 5.002 6.909 16.600) 18.663 2.342 ( -2.345 10.864 9.569) 14.666 2.875 ( 0.709 13.829 12.757) 18.828 3.801 ( 1.372 -4.257 6.195) 7.641 5.589 ( -1.603 -5.532 1.756) 6.022 5.871 ( 0.764 4.034 -8.243) 9.209 6.284 ( -2.215 -2.126 -0.901) 3.200 6.578 ( -6.402 -3.913 -14.707) 16.511 6.916 ( 3.743 0.129 -1.759) 4.138 7.163 ( -0.251 0.006 8.513) 8.517 7.697 ( 2.651 0.170 5.080) 5.733 8.646 ( -2.911 -6.661 -5.385) 9.046 12.197 ( 0.580 2.510 -4.174) 4.905 13.552 ( 1.287 -5.468 -0.200) 5.621 15.348 ( 6.621 -3.920 1.336) 7.810 17.269 ( -3.322 1.940 -0.023) 3.847 18.386 ( 5.197 5.705 -4.396) 8.882======================= Grid point 395 (198/468) =======================q-point: (-0.09 0.18 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.642 ( -3.408 2.230 23.045) 23.402 2.027 ( 4.680 19.906 9.383) 22.498 2.239 ( 2.719 8.784 9.970) 13.563 2.798 ( 7.434 6.469 19.752) 22.073 3.838 ( -2.391 -0.579 3.191) 4.030 5.557 ( -6.020 2.982 0.599) 6.744 5.875 ( 6.273 1.222 -10.859) 12.600 6.230 ( -0.697 5.487 -2.154) 5.936 6.542 ( -7.740 -7.956 -2.434) 11.363 6.954 ( 1.421 -0.144 2.385) 2.780 7.149 ( -1.521 1.709 2.237) 3.200 7.770 ( 3.981 -1.879 6.750) 8.059 8.586 ( -14.681 -3.335 -4.671) 15.763 12.171 ( 2.457 2.959 -7.378) 8.320 13.727 ( 4.355 -13.560 3.538) 14.675 15.515 ( 7.970 -4.671 -0.423) 9.248 17.168 ( -1.969 7.873 0.351) 8.123 18.340 ( 2.903 6.140 -7.381) 10.030======================= Grid point 399 (199/468) =======================q-point: ( 0.27 0.27 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( 2.912 -0.000 2.878) 4.094 2.274 ( 12.972 -0.000 13.327) 18.598 2.654 ( 6.375 -0.000 2.998) 7.045 3.112 ( -9.834 0.000 -0.121) 9.834 3.289 ( -8.271 0.000 -3.967) 9.173 5.223 ( -0.337 0.000 16.130) 16.134 5.581 ( 1.842 -0.000 -8.481) 8.678 6.108 ( -6.028 0.000 20.538) 21.405 6.334 ( -5.021 0.000 0.020) 5.021 6.906 ( -7.034 0.000 -1.028) 7.108 7.511 ( 6.441 -0.000 -2.294) 6.838 7.578 ( 2.391 -0.000 1.720) 2.945 7.909 ( -3.484 0.000 3.760) 5.126 12.265 ( 7.872 -0.000 -0.255) 7.876 14.865 ( 2.550 -0.000 0.879) 2.697 15.612 ( -7.009 0.000 -7.079) 9.962 16.658 ( 1.693 -0.000 -2.156) 2.741 17.767 ( -8.795 0.000 -4.749) 9.995======================= Grid point 400 (200/468) =======================q-point: ( 0.36 0.27 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( 1.933 -19.308 0.184) 19.405 2.433 ( 5.937 0.004 6.958) 9.146 2.678 ( 0.960 4.520 0.963) 4.720 2.965 ( -7.546 1.941 1.222) 7.887 3.222 ( -4.666 -4.110 -1.246) 6.342 5.274 ( 0.949 -1.491 16.887) 16.979 5.650 ( 1.589 -8.297 -9.979) 13.075 6.056 ( -4.382 2.950 20.987) 21.642 6.298 ( -4.336 -3.234 0.427) 5.426 6.758 ( -11.449 0.184 -6.383) 13.110 7.545 ( 6.018 4.834 -0.227) 7.723 7.714 ( 9.553 -3.293 3.970) 10.856 7.862 ( -2.864 1.037 3.463) 4.612 12.374 ( 6.233 -0.793 0.668) 6.319 14.733 ( 0.202 18.713 -1.559) 18.779 15.463 ( -6.821 4.818 -4.935) 9.700 16.863 ( 2.565 -22.526 -1.513) 22.722 17.645 ( -7.255 0.754 -3.317) 8.013======================= Grid point 401 (201/468) =======================q-point: ( 0.45 0.27 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( 0.064 -21.054 -1.334) 21.096 2.387 ( -8.253 4.900 -4.386) 10.553 2.628 ( 0.771 1.699 4.515) 4.885 2.926 ( 2.153 -0.739 7.411) 7.753 3.246 ( -2.846 -4.928 1.353) 5.849 5.346 ( -0.006 -2.070 17.126) 17.251 5.797 ( 0.373 -12.676 -12.710) 17.954 6.002 ( -2.278 3.116 17.162) 17.590 6.296 ( -3.998 -3.882 -1.525) 5.778 6.608 ( -9.460 -2.064 -6.180) 11.487 7.538 ( 5.023 6.805 1.195) 8.543 7.805 ( 0.219 2.844 2.128) 3.559 7.936 ( 11.252 -4.360 5.417) 13.228 12.436 ( 1.987 0.576 -0.201) 2.078 14.395 ( -0.747 24.975 -2.976) 25.163 15.308 ( -4.913 3.930 -1.855) 6.559 17.272 ( 0.413 -28.153 -3.307) 28.350 17.546 ( -2.807 1.110 -0.296) 3.033======================= Grid point 402 (202/468) =======================q-point: (-0.45 0.27 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.129 ( -3.362 3.004 -5.505) 7.116 2.181 ( -6.133 -1.567 4.871) 7.987 2.676 ( -0.651 -6.232 1.118) 6.364 3.021 ( 2.370 -2.897 11.478) 12.073 3.293 ( -0.379 -5.820 2.005) 6.167 5.382 ( -3.675 -1.568 15.445) 15.954 5.936 ( -0.508 -6.364 -5.459) 8.400 6.013 ( 0.357 -6.685 1.783) 6.928 6.273 ( -4.686 -1.935 -5.406) 7.411 6.567 ( -4.058 -6.539 -2.541) 8.105 7.493 ( 3.800 8.221 2.163) 9.312 7.773 ( 0.550 2.760 2.067) 3.492 8.180 ( 14.173 -3.471 4.701) 15.330 12.410 ( -1.816 2.390 -1.587) 3.396 14.030 ( -1.154 22.048 -3.406) 22.340 15.220 ( -1.132 2.421 1.053) 2.872 17.392 ( -8.362 -3.670 -5.456) 10.637 17.770 ( 7.308 -20.246 2.383) 21.656======================= Grid point 403 (203/468) =======================q-point: (-0.36 0.27 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.946 ( -2.705 8.769 1.611) 9.317 2.193 ( -0.386 0.234 9.295) 9.306 2.711 ( -2.830 0.624 2.247) 3.668 3.081 ( -3.834 -4.713 7.980) 10.030 3.442 ( 5.353 -8.059 4.838) 10.817 5.371 ( -5.071 -2.738 10.492) 11.970 5.966 ( 0.109 -0.480 1.428) 1.510 6.153 ( -2.869 -9.242 -5.863) 11.315 6.239 ( -1.492 -5.934 -11.709) 13.211 6.655 ( 0.318 -8.741 -0.322) 8.753 7.417 ( 2.786 9.179 2.542) 9.923 7.749 ( 0.888 2.674 2.731) 3.924 8.418 ( 12.923 -1.988 2.650) 13.341 12.334 ( -1.983 3.119 -2.472) 4.446 13.739 ( -1.079 14.881 -3.358) 15.293 15.211 ( 2.709 0.959 2.690) 3.936 17.317 ( -6.074 -1.455 -2.870) 6.874 18.129 ( 5.657 -15.922 0.174) 16.898======================= Grid point 404 (204/468) =======================q-point: (-0.27 0.27 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( -0.351 6.990 9.200) 11.560 2.226 ( 4.032 1.346 12.904) 13.586 2.600 ( -5.079 6.687 5.322) 9.942 3.092 ( -2.901 -0.793 5.000) 5.835 3.635 ( 3.762 -7.111 6.917) 10.610 5.398 ( -1.964 -6.024 5.908) 8.663 5.958 ( -0.859 1.357 -1.954) 2.529 6.142 ( -5.299 -3.820 -1.078) 6.621 6.368 ( 0.621 -10.893 -16.467) 19.754 6.808 ( 3.532 -8.313 0.418) 9.041 7.315 ( 1.279 9.557 2.929) 10.078 7.732 ( 0.816 2.068 3.529) 4.171 8.571 ( 6.380 0.070 0.014) 6.380 12.277 ( 1.282 3.003 -3.280) 4.629 13.565 ( -0.530 6.845 -2.963) 7.478 15.275 ( 5.875 -0.909 2.781) 6.563 17.264 ( -4.134 -1.342 -0.477) 4.373 18.367 ( 3.876 -8.161 -1.981) 9.249======================= Grid point 405 (205/468) =======================q-point: (-0.18 0.27 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( -0.312 5.878 16.600) 17.613 2.293 ( 3.454 2.322 11.434) 12.168 2.465 ( 0.245 6.516 7.481) 9.924 3.039 ( -1.028 5.468 6.393) 8.475 3.756 ( -0.542 -4.615 6.882) 8.304 5.506 ( 1.253 -6.567 4.689) 8.167 5.892 ( -1.693 2.862 -7.258) 7.983 6.165 ( -3.628 -7.287 4.666) 9.383 6.449 ( -0.319 -4.103 -16.821) 17.317 6.961 ( 5.037 -3.237 -1.021) 6.074 7.201 ( -1.198 6.220 3.402) 7.190 7.733 ( 0.886 0.117 4.255) 4.347 8.574 ( -3.294 2.238 -1.765) 4.356 12.266 ( 4.430 3.335 -5.011) 7.474 13.518 ( 0.715 -0.867 -1.602) 1.957 15.401 ( 7.648 -2.873 1.293) 8.272 17.239 ( -2.202 -0.795 1.731) 2.912 18.459 ( 1.646 -0.552 -4.552) 4.872======================= Grid point 406 (206/468) =======================q-point: (-0.09 0.27 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 0.338 5.129 21.897) 22.492 2.270 ( 1.634 5.156 5.722) 7.874 2.443 ( 5.046 9.342 8.352) 13.510 2.977 ( 2.086 4.184 10.769) 11.740 3.782 ( -4.188 -1.898 5.036) 6.819 5.550 ( -2.291 3.005 3.582) 5.207 5.876 ( 1.221 -4.383 -5.629) 7.237 6.257 ( 0.457 -5.491 6.504) 8.525 6.403 ( -1.776 2.773 -14.527) 14.896 6.983 ( -1.102 4.284 3.845) 5.861 7.163 ( 1.752 -0.598 -2.734) 3.302 7.777 ( 1.041 -3.021 4.782) 5.751 8.420 ( -11.282 4.294 -1.923) 12.224 12.263 ( 4.860 4.708 -7.335) 9.979 13.613 ( 2.869 -9.445 0.885) 9.910 15.552 ( 6.647 -3.979 -1.505) 7.892 17.223 ( -0.188 1.963 3.090) 3.665 18.416 ( -1.341 4.883 -7.293) 8.879======================= Grid point 411 (207/468) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 2.227 -0.000 -1.871) 2.909 2.450 ( -3.974 0.000 -2.281) 4.582 2.674 ( -5.543 0.000 -2.461) 6.065 2.938 ( -0.580 0.000 9.147) 9.165 3.154 ( -0.175 0.000 -1.154) 1.168 5.316 ( 0.919 -0.000 17.577) 17.601 5.596 ( 1.780 -0.000 -9.204) 9.375 6.064 ( -3.941 0.000 21.445) 21.805 6.229 ( -2.665 0.000 0.631) 2.739 6.582 ( -11.099 0.000 -7.914) 13.631 7.652 ( 4.475 -0.000 -1.715) 4.792 7.832 ( -1.064 0.000 6.853) 6.935 7.875 ( 12.652 -0.000 6.273) 14.122 12.446 ( 3.974 -0.000 0.818) 4.058 14.844 ( -3.129 0.000 -3.245) 4.508 15.444 ( -3.008 0.000 -2.816) 4.120 16.699 ( 1.793 -0.000 -1.818) 2.553 17.567 ( -4.641 0.000 -1.641) 4.923======================= Grid point 412 (208/468) =======================q-point: ( 0.45 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 1.593 -17.586 -3.595) 18.020 2.338 ( -6.118 3.917 -5.415) 9.060 2.583 ( -6.711 -1.369 -2.690) 7.359 2.969 ( 1.080 -0.570 12.320) 12.380 3.178 ( 0.348 -2.078 -0.438) 2.152 5.349 ( -2.671 -0.697 17.055) 17.277 5.646 ( 1.113 -6.331 -10.297) 12.139 6.050 ( -1.013 1.800 16.476) 16.605 6.216 ( -1.705 -1.564 0.120) 2.317 6.452 ( -7.283 -1.538 -4.077) 8.487 7.673 ( 3.256 3.758 -0.099) 4.973 7.812 ( -1.791 0.015 3.497) 3.929 8.108 ( 15.970 -1.145 10.045) 18.901 12.467 ( 0.156 1.203 -0.424) 1.285 14.667 ( -3.619 15.923 -4.614) 16.968 15.351 ( -0.254 6.870 0.228) 6.879 16.894 ( 0.219 -21.310 -2.806) 21.496 17.523 ( -1.081 -0.758 0.133) 1.327======================= Grid point 413 (209/468) =======================q-point: (-0.45 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( 1.108 -18.569 -3.890) 19.005 2.180 ( -3.383 6.996 -2.672) 8.217 2.554 ( -3.928 -5.900 -0.423) 7.101 2.996 ( -4.483 -1.087 10.847) 11.787 3.237 ( 2.699 -5.032 1.322) 5.861 5.324 ( -7.195 -1.145 13.908) 15.701 5.752 ( 0.277 -9.825 -11.274) 14.957 6.065 ( 3.125 2.089 11.897) 12.477 6.201 ( -2.683 0.061 -0.827) 2.808 6.433 ( -1.872 -5.685 -0.821) 6.041 7.640 ( 2.168 5.936 1.716) 6.548 7.799 ( -0.538 0.518 1.879) 2.022 8.363 ( 15.258 -1.441 9.661) 18.117 12.422 ( -1.726 2.599 -1.713) 3.559 14.318 ( -3.608 22.357 -5.329) 23.264 15.290 ( 3.174 4.788 3.060) 6.508 17.143 ( -5.215 -14.857 -4.696) 16.431 17.629 ( 5.012 -12.012 2.073) 13.180======================= Grid point 414 (210/468) =======================q-point: (-0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.046 ( 0.206 7.644 0.734) 7.682 2.173 ( 1.818 -7.730 1.686) 8.118 2.634 ( -1.930 -7.647 1.180) 7.975 2.928 ( -9.862 -3.435 6.212) 12.152 3.403 ( 4.821 -8.519 5.016) 10.999 5.273 ( -6.878 -3.081 9.482) 12.112 5.870 ( -0.842 -8.648 -8.394) 12.081 6.116 ( 4.177 1.058 3.173) 5.351 6.152 ( -2.779 -0.493 0.869) 2.953 6.546 ( 2.376 -8.737 0.322) 9.060 7.573 ( 1.719 7.543 1.936) 7.975 7.786 ( -0.216 1.184 1.732) 2.109 8.575 ( 10.714 -0.169 7.012) 12.805 12.364 ( 0.454 2.854 -2.534) 3.844 13.954 ( -3.063 19.370 -4.885) 20.210 15.303 ( 5.676 2.909 3.668) 7.357 17.189 ( -5.073 -5.075 -2.283) 7.530 17.946 ( 4.831 -18.715 -0.063) 19.329======================= Grid point 415 (211/468) =======================q-point: (-0.27 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( 2.935 7.882 7.064) 10.984 2.282 ( 2.223 -2.991 6.511) 7.502 2.611 ( -5.113 3.303 3.641) 7.093 2.947 ( -6.008 -11.656 1.305) 13.178 3.585 ( 2.117 -7.255 7.104) 10.372 5.298 ( -1.676 -6.930 6.549) 9.681 5.922 ( -2.156 -3.024 -1.643) 4.061 6.079 ( -1.634 1.954 -3.662) 4.461 6.242 ( 3.526 -6.687 -3.117) 8.177 6.731 ( 4.497 -9.836 0.991) 10.861 7.473 ( 0.893 9.497 1.024) 9.593 7.766 ( -0.433 1.456 2.208) 2.680 8.661 ( 2.579 2.834 3.565) 5.233 12.353 ( 4.582 2.668 -3.569) 6.392 13.681 ( -1.950 12.249 -4.057) 13.050 15.370 ( 7.016 0.885 2.561) 7.521 17.185 ( -2.936 -2.847 0.752) 4.158 18.238 ( 2.375 -14.554 -2.562) 14.968======================= Grid point 416 (212/468) =======================q-point: (-0.18 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 4.430 8.601 14.049) 17.058 2.317 ( -3.630 -0.653 4.672) 5.952 2.551 ( 1.776 0.503 5.917) 6.199 3.015 ( -3.909 -5.464 1.416) 6.866 3.682 ( -2.540 -4.705 7.563) 9.262 5.446 ( 3.554 -8.533 6.841) 11.500 5.890 ( -2.616 2.171 -6.028) 6.920 6.057 ( -0.998 -2.992 4.311) 5.341 6.371 ( 3.199 -5.565 -9.183) 11.203 6.939 ( 5.412 -8.909 -0.218) 10.427 7.323 ( -0.979 11.358 -0.446) 11.409 7.746 ( -0.727 0.678 2.722) 2.898 8.578 ( -5.741 5.986 1.142) 8.372 12.382 ( 6.672 3.432 -5.197) 9.127 13.539 ( -0.421 4.153 -2.944) 5.108 15.471 ( 6.599 -1.284 0.083) 6.724 17.202 ( -0.609 -2.267 3.458) 4.180 18.402 ( -0.307 -7.146 -4.912) 8.677======================= Grid point 417 (213/468) =======================q-point: (-0.09 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 5.502 8.383 19.306) 21.755 2.286 ( -2.426 -2.235 0.380) 3.321 2.611 ( 4.059 2.057 7.149) 8.475 3.008 ( -3.172 -0.822 3.691) 4.935 3.692 ( -5.789 -2.802 6.397) 9.071 5.583 ( 1.108 0.483 9.105) 9.185 5.817 ( -1.169 -1.123 -6.366) 6.569 6.169 ( 2.912 -9.106 7.062) 11.886 6.427 ( 2.441 0.887 -11.523) 11.812 7.073 ( 0.767 6.349 0.684) 6.432 7.161 ( 0.664 0.083 -4.603) 4.651 7.749 ( -0.704 -1.867 2.992) 3.596 8.359 ( -11.119 7.802 0.025) 13.584 12.396 ( 5.951 5.159 -6.580) 10.263 13.541 ( 1.287 -4.297 -1.348) 4.684 15.569 ( 3.545 -2.676 -3.136) 5.437 17.245 ( 1.757 -1.206 5.282) 5.696 18.412 ( -3.174 0.773 -7.114) 7.828======================= Grid point 423 (214/468) =======================q-point: ( 0.45 0.45 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( 0.613 -0.000 -4.530) 4.571 2.315 ( -0.538 0.000 -6.047) 6.071 2.456 ( -7.117 0.000 -5.081) 8.744 2.976 ( -2.818 0.000 13.484) 13.775 3.172 ( 0.337 -0.000 -0.930) 0.989 5.304 ( -7.894 0.000 14.428) 16.447 5.599 ( 1.252 -0.000 -9.683) 9.764 6.103 ( 3.093 -0.000 12.616) 12.989 6.199 ( 0.210 -0.000 1.276) 1.293 6.358 ( -4.719 0.000 2.465) 5.324 7.735 ( 2.048 -0.000 -1.236) 2.392 7.794 ( -1.682 0.000 5.109) 5.379 8.345 ( 16.002 -0.000 12.543) 20.332 12.463 ( -1.751 0.000 -1.405) 2.245 14.710 ( -5.442 0.000 -5.841) 7.983 15.436 ( 2.760 -0.000 1.195) 3.007 16.736 ( 1.381 -0.000 -1.558) 2.082 17.507 ( 0.137 -0.000 0.231) 0.269======================= Grid point 424 (215/468) =======================q-point: (-0.45 -0.55 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( -1.083 -18.387 -4.446) 18.948 2.257 ( 1.109 6.300 -5.007) 8.123 2.423 ( -2.295 -5.027 -4.699) 7.254 2.938 ( -6.714 1.163 12.143) 13.924 3.200 ( 0.909 -4.436 0.756) 4.591 5.209 ( -10.305 -1.238 10.622) 14.851 5.633 ( 1.051 -5.242 -10.046) 11.380 6.176 ( 5.438 1.929 7.230) 9.250 6.201 ( -0.636 1.893 10.005) 10.202 6.349 ( -0.343 -4.283 1.660) 4.606 7.728 ( 0.877 3.062 0.823) 3.289 7.792 ( -0.857 -0.493 3.112) 3.265 8.572 ( 12.876 0.023 12.616) 18.026 12.427 ( -0.795 1.275 -2.160) 2.631 14.509 ( -6.234 13.889 -7.006) 16.758 15.442 ( 5.593 5.964 3.161) 8.766 16.870 ( -0.721 -14.265 -2.218) 14.454 17.556 ( 2.381 -5.560 0.590) 6.077======================= Grid point 425 (216/468) =======================q-point: (-0.36 -0.55 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( -1.815 -21.276 -3.240) 21.597 2.190 ( 4.136 5.707 -2.553) 7.496 2.483 ( -1.591 -7.969 -1.901) 8.346 2.796 ( -11.022 3.983 8.009) 14.195 3.340 ( 3.044 -9.260 4.593) 10.775 5.133 ( -8.061 -4.116 7.678) 11.869 5.729 ( 1.103 -8.339 -10.055) 13.110 6.146 ( -1.704 3.482 4.505) 5.943 6.236 ( 4.659 3.200 13.547) 14.679 6.472 ( 4.188 -7.648 0.017) 8.720 7.684 ( 0.741 4.916 1.323) 5.144 7.788 ( -1.024 0.056 2.028) 2.273 8.720 ( 6.249 1.410 10.055) 11.922 12.416 ( 3.500 1.653 -2.692) 4.714 14.167 ( -5.427 18.862 -6.376) 20.636 15.453 ( 6.638 4.842 3.004) 8.748 17.026 ( -2.355 -9.919 -1.073) 10.251 17.748 ( 3.000 -15.143 -0.937) 15.466======================= Grid point 426 (217/468) =======================q-point: (-0.27 0.45 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.108 ( 1.639 -1.591 -2.319) 3.255 2.248 ( 4.200 -3.273 5.091) 7.367 2.583 ( -5.778 3.125 4.814) 8.144 2.625 ( -9.758 -16.341 -1.400) 19.084 3.512 ( 0.831 -7.693 7.022) 10.449 5.170 ( -1.897 -9.116 6.048) 11.103 5.835 ( 0.395 -6.125 -6.900) 9.235 6.091 ( -0.566 2.493 2.549) 3.610 6.281 ( 4.836 2.022 8.265) 9.787 6.659 ( 5.014 -9.161 0.935) 10.486 7.606 ( 0.248 7.390 0.102) 7.395 7.771 ( -1.455 0.529 1.863) 2.423 8.727 ( -1.817 4.146 6.221) 7.694 12.462 ( 7.548 2.176 -3.732) 8.697 13.837 ( -3.849 15.714 -5.039) 16.945 15.490 ( 6.107 2.700 1.029) 6.756 17.105 ( -0.997 -5.147 1.998) 5.610 18.017 ( 0.867 -17.662 -3.672) 18.060======================= Grid point 427 (218/468) =======================q-point: (-0.18 0.45 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.144 ( 4.671 1.100 -1.177) 4.940 2.240 ( -4.821 6.246 12.741) 14.986 2.530 ( -1.125 -5.770 2.846) 6.531 2.790 ( -5.528 -15.880 -2.232) 16.962 3.589 ( -4.051 -4.078 8.763) 10.480 5.364 ( 4.398 -12.620 6.043) 14.667 5.861 ( -1.703 0.118 -2.601) 3.112 6.074 ( 2.110 1.730 2.667) 3.815 6.357 ( 4.925 -2.056 -0.190) 5.340 6.868 ( 4.830 -10.161 0.328) 11.255 7.470 ( -1.157 10.665 -2.182) 10.947 7.743 ( -1.809 0.622 1.979) 2.753 8.584 ( -8.030 7.258 2.964) 11.223 12.520 ( 7.830 3.682 -5.181) 10.085 13.610 ( -1.919 8.736 -3.823) 9.727 15.536 ( 3.881 0.613 -1.900) 4.364 17.174 ( 1.348 -3.480 4.871) 6.136 18.230 ( -1.597 -13.274 -5.882) 14.606======================= Grid point 428 (219/468) =======================q-point: (-0.09 0.45 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.112 ( -7.110 0.773 9.696) 12.048 2.207 ( 8.323 3.024 3.482) 9.515 2.634 ( 1.208 -5.294 5.076) 7.434 2.888 ( -5.197 -8.157 -1.333) 9.763 3.578 ( -6.898 -2.893 9.203) 11.860 5.610 ( 5.000 -6.750 10.859) 13.729 5.787 ( -2.902 2.819 -6.084) 7.306 6.142 ( 5.646 -3.901 6.884) 9.720 6.444 ( 4.005 -1.517 -6.490) 7.775 7.071 ( 4.219 -9.163 -2.073) 10.299 7.254 ( -3.387 13.990 -4.959) 15.225 7.720 ( -1.777 -0.572 2.164) 2.858 8.334 ( -10.760 9.384 1.015) 14.313 12.535 ( 5.267 5.123 -6.012) 9.494 13.521 ( -0.067 0.957 -2.751) 2.914 15.558 ( -0.218 -0.789 -4.799) 4.868 17.264 ( 3.510 -2.713 6.573) 7.930 18.319 ( -3.618 -5.494 -7.357) 9.869======================= Grid point 435 (220/468) =======================q-point: (-0.45 -0.45 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( -4.975 0.000 -3.236) 5.935 2.315 ( -1.352 0.000 -7.138) 7.265 2.356 ( 1.974 -0.000 -8.758) 8.977 2.909 ( -4.323 0.000 16.727) 17.277 3.150 ( -1.082 0.000 -1.162) 1.588 5.074 ( -10.211 0.000 8.494) 13.282 5.588 ( 0.963 -0.000 -9.919) 9.966 6.244 ( 2.467 -0.000 1.648) 2.967 6.278 ( -2.426 0.000 25.537) 25.652 6.334 ( 7.733 -0.000 -2.898) 8.258 7.750 ( -0.646 0.000 -0.979) 1.173 7.789 ( -0.295 0.000 5.261) 5.269 8.742 ( 7.645 -0.000 12.896) 14.992 12.441 ( 2.857 -0.000 -2.406) 3.735 14.502 ( -7.305 0.000 -7.487) 10.461 15.577 ( 5.960 -0.000 2.407) 6.428 16.758 ( 0.627 -0.000 -1.440) 1.571 17.541 ( 1.525 -0.000 -0.181) 1.535======================= Grid point 436 (221/468) =======================q-point: (-0.36 -0.45 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( -6.346 -21.760 -1.567) 22.720 2.271 ( 0.051 1.628 -9.250) 9.392 2.349 ( -5.190 -4.044 -6.799) 9.462 2.820 ( -2.654 9.885 13.603) 17.023 3.238 ( 1.681 -10.169 2.905) 10.708 4.990 ( -6.867 -3.006 7.569) 10.653 5.623 ( 1.259 -5.527 -10.089) 11.573 6.211 ( -0.355 5.115 9.800) 11.060 6.338 ( 1.672 -1.659 14.359) 14.551 6.469 ( 7.936 -2.472 1.594) 8.464 7.725 ( -1.501 0.995 -1.002) 2.061 7.789 ( -0.346 1.048 4.708) 4.836 8.813 ( 0.705 1.698 10.841) 10.996 12.506 ( 8.299 0.841 -2.814) 8.803 14.299 ( -6.526 11.968 -6.549) 15.124 15.615 ( 5.350 4.940 1.218) 7.383 16.851 ( -0.168 -10.662 -0.850) 10.697 17.606 ( 0.701 -7.437 -1.678) 7.657======================= Grid point 437 (222/468) =======================q-point: (-0.27 -0.45 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( -4.888 -25.706 0.041) 26.166 2.212 ( -10.436 -6.813 -11.140) 16.716 2.352 ( -2.138 -5.256 -0.761) 5.725 2.663 ( 1.145 12.245 11.171) 16.615 3.414 ( 0.360 -8.845 5.979) 10.682 5.030 ( -0.826 -8.471 6.797) 10.892 5.729 ( 1.955 -8.183 -9.648) 12.801 6.159 ( 0.613 4.722 10.405) 11.443 6.401 ( 3.562 1.725 11.571) 12.229 6.623 ( 5.988 -5.487 1.252) 8.218 7.673 ( -2.010 2.853 -2.062) 4.053 7.768 ( -1.126 1.678 3.983) 4.466 8.756 ( -5.140 4.491 7.790) 10.357 12.614 ( 11.264 2.662 -4.137) 12.291 13.996 ( -5.132 16.037 -4.987) 17.561 15.607 ( 3.503 4.230 -1.115) 5.604 17.007 ( 0.876 -9.490 2.218) 9.785 17.762 ( -1.376 -15.189 -4.752) 15.974======================= Grid point 438 (223/468) =======================q-point: (-0.18 -0.45 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( -11.940 -6.260 -4.780) 14.304 2.284 ( -7.978 -22.237 0.909) 23.643 2.431 ( 0.499 -6.673 2.163) 7.032 2.581 ( 4.910 6.302 6.661) 10.401 3.495 ( -4.003 -3.801 8.970) 10.532 5.237 ( 4.653 -14.088 4.962) 15.644 5.834 ( 1.422 -3.456 -4.320) 5.711 6.149 ( 3.327 2.268 7.438) 8.458 6.437 ( 4.204 2.465 5.707) 7.505 6.793 ( 4.141 -8.279 0.617) 9.277 7.568 ( -2.761 6.706 -4.081) 8.322 7.731 ( -2.056 1.268 3.153) 3.972 8.588 ( -7.851 7.794 4.941) 12.116 12.687 ( 8.845 5.603 -5.845) 11.991 13.719 ( -3.326 12.268 -3.703) 13.239 15.582 ( 0.404 2.499 -3.864) 4.619 17.153 ( 3.455 -5.759 5.690) 8.802 17.960 ( -3.315 -17.509 -7.404) 19.297======================= Grid point 439 (224/468) =======================q-point: (-0.09 -0.45 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( -13.837 -8.234 -2.318) 16.268 2.421 ( 0.155 -1.422 9.312) 9.422 2.553 ( -0.158 -8.750 3.624) 9.472 2.670 ( 2.752 -8.616 -0.055) 9.045 3.475 ( -6.155 -1.262 11.601) 13.193 5.535 ( 5.729 -14.576 1.791) 15.763 5.821 ( -1.108 5.262 4.701) 7.143 6.222 ( 7.344 -0.467 5.648) 9.276 6.476 ( 3.667 0.220 -2.957) 4.716 6.970 ( 2.467 -10.002 -1.906) 10.476 7.381 ( -4.068 11.431 -6.894) 13.955 7.693 ( -2.397 0.355 2.627) 3.574 8.355 ( -7.207 10.770 2.805) 13.260 12.663 ( 3.134 6.741 -6.432) 9.830 13.555 ( -0.916 5.530 -3.031) 6.373 15.525 ( -3.427 1.313 -5.797) 6.861 17.290 ( 4.898 -3.470 6.985) 9.210 18.122 ( -3.602 -13.052 -8.113) 15.784======================= Grid point 447 (225/468) =======================q-point: (-0.36 -0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.265 ( -9.124 0.000 0.307) 9.129 2.152 ( -13.832 0.000 -10.489) 17.359 2.262 ( -2.130 0.000 -6.239) 6.592 2.972 ( 1.906 -0.000 16.837) 16.945 3.157 ( 3.039 -0.000 -2.024) 3.651 4.914 ( -2.781 0.000 8.737) 9.169 5.576 ( 1.213 -0.000 -9.757) 9.832 6.296 ( -1.367 0.000 19.145) 19.194 6.335 ( 3.558 -0.000 1.559) 3.884 6.582 ( 7.662 -0.000 7.579) 10.778 7.692 ( -3.301 0.000 -1.025) 3.457 7.807 ( -0.166 0.000 4.533) 4.536 8.824 ( -3.997 0.000 10.151) 10.910 12.656 ( 13.342 -0.000 -3.679) 13.840 14.293 ( -5.656 0.000 -5.365) 7.795 15.714 ( 3.005 -0.000 -0.574) 3.059 16.758 ( -0.188 0.000 -1.499) 1.510 17.545 ( -1.362 0.000 -2.404) 2.763======================= Grid point 448 (226/468) =======================q-point: (-0.27 -0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( -7.788 -26.595 2.006) 27.785 1.922 ( -18.333 -1.945 -9.593) 20.782 2.235 ( -4.580 -4.217 -3.176) 6.989 2.909 ( 2.709 11.087 12.041) 16.590 3.305 ( 2.369 -8.806 2.365) 9.421 4.963 ( 2.903 -4.160 9.218) 10.522 5.627 ( 2.119 -6.678 -9.279) 11.627 6.269 ( 1.055 4.985 13.671) 14.590 6.435 ( 2.408 -3.933 6.671) 8.110 6.685 ( 5.859 0.350 5.825) 8.270 7.638 ( -4.373 0.034 -1.691) 4.689 7.796 ( -0.804 1.902 3.884) 4.399 8.754 ( -5.469 3.199 9.423) 11.355 12.823 ( 14.490 2.955 -6.133) 16.010 14.125 ( -4.802 11.680 -3.976) 13.240 15.695 ( 0.406 4.549 -2.538) 5.225 16.858 ( 0.918 -12.726 0.217) 12.761 17.555 ( -3.696 -6.910 -4.274) 8.926======================= Grid point 449 (227/468) =======================q-point: (-0.18 -0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( -14.350 -7.863 -2.848) 16.609 1.753 ( -9.798 -31.349 -1.223) 32.867 2.250 ( -6.170 -8.307 0.158) 10.348 2.831 ( 3.567 8.819 12.052) 15.354 3.423 ( 0.332 -3.771 5.540) 6.709 5.142 ( 6.269 -9.496 5.954) 12.842 5.773 ( 3.878 -8.596 -5.543) 10.939 6.255 ( 2.608 3.531 11.656) 12.455 6.513 ( 2.142 -0.566 4.787) 5.275 6.767 ( 3.507 -2.447 1.777) 4.631 7.559 ( -5.189 1.448 -3.888) 6.643 7.749 ( -1.543 3.171 3.518) 4.981 8.633 ( -3.248 7.667 8.842) 12.146 12.895 ( 8.853 8.166 -9.093) 15.091 13.854 ( -4.297 14.306 -2.617) 15.165 15.607 ( -2.522 4.386 -4.607) 6.842 17.105 ( 5.640 -12.563 5.091) 14.682 17.631 ( -6.141 -15.276 -7.862) 18.245======================= Grid point 450 (228/468) =======================q-point: (-0.09 -0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( -15.232 -8.783 -1.460) 17.643 2.159 ( -3.291 -28.615 3.346) 28.998 2.295 ( -7.477 -10.027 1.614) 12.612 2.806 ( 2.406 3.542 13.455) 14.119 3.456 ( 0.952 1.834 8.894) 9.131 5.405 ( 6.212 -13.322 -0.930) 14.729 5.887 ( 1.806 0.489 6.985) 7.231 6.310 ( 5.515 -2.048 3.797) 7.001 6.535 ( 2.896 2.051 -0.584) 3.597 6.863 ( 0.851 -6.563 -1.087) 6.707 7.424 ( -5.886 5.720 -7.593) 11.181 7.689 ( -1.976 2.492 3.640) 4.834 8.485 ( 0.862 12.749 6.978) 14.560 12.786 ( -1.223 10.315 -9.332) 13.964 13.639 ( -1.409 8.881 -2.085) 9.230 15.488 ( -4.983 3.439 -5.439) 8.139 17.328 ( 6.490 -3.900 7.079) 10.365 17.809 ( -3.870 -20.968 -9.069) 23.170======================= Grid point 459 (229/468) =======================q-point: (-0.27 -0.27 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( -9.287 0.000 4.581) 10.355 1.628 ( -20.053 0.000 -7.181) 21.300 2.118 ( -6.944 0.000 -0.679) 6.977 3.002 ( -5.901 0.000 17.304) 18.283 3.305 ( 8.067 -0.000 -4.135) 9.065 5.036 ( 8.405 -0.000 11.996) 14.647 5.579 ( 1.770 -0.000 -8.888) 9.063 6.351 ( -0.692 0.000 16.832) 16.846 6.443 ( 4.040 -0.000 0.862) 4.131 6.766 ( 3.463 -0.000 4.906) 6.005 7.566 ( -5.612 0.000 -1.342) 5.771 7.803 ( -1.290 0.000 3.438) 3.672 8.750 ( -1.266 0.000 12.402) 12.466 13.028 ( 13.223 -0.000 -10.764) 17.051 14.151 ( -4.199 0.000 -3.570) 5.511 15.723 ( -1.415 0.000 -2.257) 2.664 16.737 ( -0.814 0.000 -1.729) 1.911 17.447 ( -4.356 0.000 -2.563) 5.054======================= Grid point 460 (230/468) =======================q-point: (-0.18 -0.27 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.168 ( -7.281 -30.655 4.447) 31.820 1.378 ( -16.607 -3.277 -0.913) 16.952 2.058 ( -7.398 -5.210 2.573) 9.407 2.908 ( -8.459 2.540 18.374) 20.386 3.437 ( 7.675 -2.889 -2.297) 8.516 5.192 ( 9.634 -0.324 9.228) 13.344 5.675 ( 3.842 -10.323 -5.404) 12.269 6.338 ( -1.840 2.409 11.767) 12.151 6.521 ( 3.260 -2.257 0.733) 4.032 6.804 ( 2.566 0.626 1.751) 3.169 7.480 ( -6.519 0.039 -2.323) 6.920 7.773 ( -1.864 2.068 2.902) 4.021 8.772 ( 6.162 5.778 14.980) 17.198 13.082 ( 4.041 6.974 -16.321) 18.203 13.984 ( -5.048 11.864 -2.110) 13.064 15.636 ( -3.002 6.417 -2.681) 7.575 16.910 ( 2.667 -22.348 -0.471) 22.512 17.410 ( -4.064 -2.897 -1.474) 5.204======================= Grid point 461 (231/468) =======================q-point: (-0.09 -0.27 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( -10.669 -7.774 4.546) 13.962 1.651 ( -2.301 -35.691 6.214) 36.301 2.070 ( -7.030 -8.244 4.634) 11.784 2.800 ( -10.092 -0.279 20.811) 23.130 3.564 ( 7.939 0.535 1.601) 8.116 5.355 ( 7.850 -5.592 -0.235) 9.641 5.887 ( 3.379 -7.749 5.900) 10.309 6.299 ( -3.305 -2.082 -1.086) 4.054 6.597 ( 4.771 -1.208 0.255) 4.928 6.838 ( 2.932 0.395 2.005) 3.574 7.369 ( -7.311 1.713 -5.214) 9.141 7.712 ( -2.277 2.958 2.602) 4.550 8.786 ( 11.641 14.225 12.226) 22.076 12.857 ( -9.989 11.825 -15.558) 21.947 13.758 ( -1.810 10.734 -0.061) 10.885 15.482 ( -4.197 6.357 -3.333) 8.315 17.370 ( 8.774 -27.419 -0.138) 28.789 17.403 ( -3.932 -3.831 -1.353) 5.654======================= Grid point 471 (232/468) =======================q-point: (-0.18 -0.18 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( -6.058 0.000 9.928) 11.630 1.173 ( -9.262 0.000 8.114) 12.313 1.930 ( -6.794 0.000 6.002) 9.065 2.804 ( -13.816 0.000 22.637) 26.520 3.516 ( 8.202 -0.000 -5.408) 9.825 5.395 ( 12.374 -0.000 13.960) 18.655 5.598 ( 1.924 -0.000 -7.333) 7.581 6.300 ( -8.063 0.000 4.820) 9.394 6.563 ( 4.869 -0.000 -0.466) 4.891 6.863 ( 4.905 -0.000 2.863) 5.679 7.382 ( -7.342 0.000 -1.737) 7.545 7.761 ( -2.921 0.000 1.772) 3.417 9.011 ( 16.355 -0.000 18.155) 24.436 13.071 ( -9.205 0.000 -23.856) 25.571 14.001 ( -5.104 0.000 -0.977) 5.197 15.672 ( -1.471 0.000 -0.764) 1.658 16.703 ( -1.099 0.000 -2.073) 2.346 17.395 ( 3.056 -0.000 4.215) 5.206======================= Grid point 472 (233/468) =======================q-point: (-0.09 -0.18 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( -2.671 -20.014 9.786) 22.438 1.238 ( 2.855 -15.234 17.334) 23.253 1.902 ( -5.048 -4.924 8.258) 10.859 2.659 ( -14.853 -1.080 25.946) 29.916 3.642 ( 7.280 -3.597 -3.973) 9.040 5.465 ( 7.881 5.008 1.256) 9.422 5.788 ( 3.520 -13.081 6.119) 14.864 6.175 ( -9.438 -1.238 -5.791) 11.142 6.642 ( 5.366 -1.243 -1.010) 5.600 6.942 ( 6.887 1.908 6.206) 9.465 7.272 ( -7.924 0.503 -2.748) 8.402 7.707 ( -3.504 1.323 1.017) 3.881 9.216 ( 18.194 11.369 11.337) 24.265 12.741 ( -22.013 6.455 -19.476) 30.093 13.884 ( -1.178 8.582 2.448) 9.002 15.554 ( -2.194 9.701 -1.369) 10.040 16.911 ( -2.413 -26.420 -5.224) 27.040 17.511 ( 12.131 -1.539 6.990) 14.086======================= Grid point 483 (234/468) =======================q-point: (-0.09 -0.09 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.798 ( 0.180 -0.000 14.698) 14.699 1.317 ( 11.691 -0.000 24.730) 27.354 1.836 ( -2.197 0.000 10.926) 11.144 2.503 ( -14.217 0.000 30.229) 33.405 3.682 ( 5.461 -0.000 -5.782) 7.953 5.614 ( 1.093 -0.000 -5.845) 5.946 5.727 ( 4.901 -0.000 15.426) 16.186 6.021 ( -7.332 0.000 -10.091) 12.474 6.711 ( 6.473 -0.000 -1.991) 6.773 7.068 ( 6.281 -0.000 9.040) 11.008 7.160 ( -8.324 0.000 -1.911) 8.541 7.668 ( -3.219 0.000 0.712) 3.297 9.527 ( 8.680 -0.000 -0.387) 8.689 12.418 ( -23.267 0.000 -11.039) 25.753 13.963 ( 2.050 -0.000 5.262) 5.647 15.618 ( -1.657 0.000 -1.832) 2.470 16.664 ( -0.981 0.000 -2.421) 2.612 17.709 ( 16.665 -0.000 4.840) 17.353======================= Grid point 484 (235/468) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.244 ( 3.578 -0.000 14.322) 14.762 2.140 ( 2.858 -0.000 10.512) 10.894 2.146 ( 0.616 -0.000 24.368) 24.375 3.103 ( 3.599 -0.000 25.375) 25.629 3.608 ( 2.099 -0.000 -8.490) 8.746 5.495 ( -0.159 0.000 -5.157) 5.160 5.552 ( -6.793 0.000 -5.593) 8.799 6.126 ( 5.801 -0.000 2.451) 6.298 6.837 ( 6.939 -0.000 -2.473) 7.367 6.892 ( -7.371 0.000 -1.770) 7.580 7.307 ( -5.871 0.000 9.826) 11.446 7.869 ( 8.022 -0.000 8.918) 11.996 9.003 ( -21.723 0.000 -7.715) 23.053 11.995 ( -5.791 0.000 -5.925) 8.285 14.365 ( 8.903 -0.000 10.367) 13.665 15.598 ( 3.120 -0.000 -2.061) 3.739 16.578 ( -0.492 0.000 -2.608) 2.654 18.008 ( 6.745 -0.000 -6.051) 9.061======================= Grid point 485 (236/468) =======================q-point: ( 0.09 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 3.256 -21.307 11.469) 24.416 2.124 ( -0.389 3.393 19.784) 20.076 2.274 ( 0.558 -6.204 14.685) 15.951 3.215 ( 6.322 1.589 19.605) 20.660 3.655 ( -0.656 -6.419 -7.687) 10.036 5.400 ( -3.114 3.715 -5.930) 7.659 5.564 ( -0.149 -6.267 -4.181) 7.535 6.205 ( 4.811 0.547 0.785) 4.905 6.751 ( -7.060 3.478 -0.575) 7.892 6.949 ( 8.094 -0.498 -2.677) 8.540 7.251 ( -7.267 -1.048 12.111) 14.163 7.976 ( 4.977 0.477 8.553) 9.907 8.640 ( -21.823 5.394 -4.812) 22.988 11.939 ( -2.100 -1.782 -6.665) 7.212 14.373 ( 7.524 16.514 7.935) 19.806 15.610 ( 4.236 3.568 -2.579) 6.109 16.712 ( -0.250 -17.361 -1.810) 17.457 18.062 ( 2.254 -1.033 -7.888) 8.269======================= Grid point 486 (237/468) =======================q-point: ( 0.18 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 2.178 -26.733 8.478) 28.130 2.131 ( 1.222 1.203 20.058) 20.131 2.389 ( 0.438 -4.611 11.117) 12.043 3.275 ( 2.908 3.993 12.150) 13.115 3.713 ( -4.122 -7.211 -5.363) 9.887 5.335 ( -0.529 -0.319 -7.719) 7.743 5.675 ( 2.534 -7.923 -5.120) 9.768 6.229 ( 2.249 3.213 0.983) 4.043 6.626 ( -3.343 3.317 2.831) 5.495 7.055 ( 7.392 -0.002 -3.266) 8.081 7.169 ( -8.256 1.983 13.327) 15.802 8.006 ( 0.483 3.195 6.194) 6.987 8.301 ( -17.386 1.500 -3.799) 17.859 11.972 ( 2.399 -4.395 -5.687) 7.577 14.176 ( 5.314 22.872 4.538) 23.916 15.607 ( 2.915 3.152 -3.463) 5.516 16.991 ( 0.978 -18.953 1.075) 19.009 18.072 ( -2.169 -3.074 -9.095) 9.843======================= Grid point 487 (238/468) =======================q-point: ( 0.27 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.178 ( 3.543 -1.901 18.237) 18.675 2.328 ( 3.573 -17.299 5.815) 18.597 2.453 ( -1.989 -4.112 7.922) 9.145 3.220 ( -2.509 6.259 5.007) 8.399 3.725 ( -6.120 -5.643 -1.574) 8.472 5.360 ( 1.742 -3.965 -9.484) 10.426 5.822 ( 4.467 -6.757 -6.164) 10.179 6.184 ( -0.706 4.060 2.014) 4.587 6.590 ( 2.117 2.371 7.449) 8.099 7.018 ( -9.710 4.029 8.001) 13.211 7.133 ( 6.252 1.730 -2.779) 7.057 7.929 ( -1.796 5.686 2.701) 6.546 8.131 ( -13.908 -6.526 -1.635) 15.450 12.098 ( 5.793 -6.086 -4.332) 9.453 13.919 ( 3.328 20.862 1.616) 21.188 15.575 ( -0.134 2.852 -4.453) 5.290 17.253 ( 3.276 -11.908 4.844) 13.267 18.066 ( -5.562 -6.461 -10.165) 13.267======================= Grid point 488 (239/468) =======================q-point: ( 0.36 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.291 ( 5.517 3.125 3.818) 7.401 2.398 ( -0.916 0.481 16.628) 16.660 2.644 ( 0.079 -14.388 3.940) 14.918 3.061 ( -6.167 7.497 -0.343) 9.713 3.715 ( -5.706 -4.011 2.941) 7.570 5.437 ( 2.413 -4.934 -11.749) 12.970 5.939 ( 5.836 0.384 0.227) 5.853 6.143 ( -1.354 -1.977 -2.307) 3.326 6.609 ( 5.320 6.876 11.371) 14.313 6.867 ( -10.029 -3.192 -0.603) 10.542 7.163 ( 3.972 2.999 -3.438) 6.049 7.839 ( -2.225 3.782 2.184) 4.902 8.065 ( -11.787 -8.770 -0.739) 14.711 12.263 ( 6.237 -5.844 -3.638) 9.289 13.692 ( 1.687 15.252 -0.407) 15.351 15.506 ( -3.175 2.139 -4.808) 6.146 17.426 ( 4.520 -2.937 6.696) 8.596 18.074 ( -6.345 -8.676 -9.969) 14.660======================= Grid point 489 (240/468) =======================q-point: ( 0.45 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.136 ( -5.935 11.739 -2.462) 13.383 2.549 ( 5.060 -5.114 16.368) 17.879 2.797 ( 2.303 -4.467 4.789) 6.942 2.866 ( -4.939 7.510 -1.586) 9.128 3.694 ( -5.058 -1.765 6.329) 8.292 5.493 ( 2.205 -1.530 -15.357) 15.590 5.984 ( 4.529 2.940 10.877) 12.143 6.207 ( 0.893 -7.778 -8.407) 11.488 6.547 ( 2.783 10.195 6.561) 12.439 6.867 ( -6.689 -11.020 -3.297) 13.306 7.139 ( 1.365 4.222 -2.889) 5.294 7.766 ( -3.288 1.479 1.999) 4.123 8.066 ( -6.928 -9.168 0.253) 11.494 12.400 ( 3.677 -4.486 -3.720) 6.891 13.536 ( 0.738 8.210 -1.354) 8.353 15.417 ( -4.998 0.783 -4.183) 6.564 17.491 ( 2.833 1.870 4.751) 5.839 18.093 ( -3.475 -4.967 -7.211) 9.420======================= Grid point 490 (241/468) =======================q-point: (-0.45 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( -7.196 12.589 -0.377) 14.506 2.564 ( -7.082 3.835 4.730) 9.340 2.740 ( -0.605 7.622 2.597) 8.075 2.953 ( 11.943 -2.739 11.093) 16.529 3.657 ( -4.419 -0.356 8.554) 9.635 5.467 ( 2.255 4.531 -17.423) 18.143 6.047 ( 3.507 -0.961 11.396) 11.962 6.295 ( -4.604 -5.839 -7.656) 10.672 6.498 ( 6.752 2.797 2.544) 7.738 6.913 ( -5.547 -5.827 -5.305) 9.636 7.092 ( -0.419 0.966 -0.632) 1.228 7.727 ( -2.222 -0.740 2.967) 3.780 8.150 ( -1.615 -11.016 0.302) 11.138 12.469 ( -0.837 -3.523 -4.331) 5.645 13.475 ( 0.509 1.081 -1.290) 1.758 15.341 ( -5.047 -0.985 -2.673) 5.795 17.485 ( 0.066 2.089 1.396) 2.514 18.073 ( 0.822 4.231 -4.001) 5.881======================= Grid point 491 (242/468) =======================q-point: (-0.36 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( -2.227 10.020 5.281) 11.543 2.397 ( -6.099 6.527 5.035) 10.255 2.562 ( -0.619 17.301 4.976) 18.013 3.150 ( 6.511 -0.780 13.436) 14.951 3.648 ( 0.127 -1.280 7.937) 8.041 5.377 ( 3.169 7.154 -16.834) 18.563 6.137 ( 4.066 -0.915 7.943) 8.970 6.195 ( -11.731 -0.889 -9.286) 14.987 6.650 ( 9.059 -3.401 2.898) 10.101 6.861 ( -4.222 -0.289 -3.687) 5.613 7.115 ( -0.498 -3.940 0.480) 4.000 7.730 ( -1.660 -1.564 4.179) 4.761 8.360 ( 3.751 -16.754 -0.781) 17.187 12.463 ( -5.886 -3.379 -5.060) 8.465 13.510 ( 0.536 -5.106 -0.244) 5.140 15.305 ( -3.625 -2.821 -0.883) 4.678 17.446 ( -2.360 1.437 -1.282) 3.046 17.973 ( 5.255 14.073 -1.823) 15.132======================= Grid point 492 (243/468) =======================q-point: (-0.27 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( 5.839 6.274 12.256) 14.955 2.236 ( -4.435 13.463 6.820) 15.730 2.277 ( 1.830 18.252 9.739) 20.769 3.180 ( -4.176 2.006 18.594) 19.162 3.714 ( 5.905 1.560 1.937) 6.408 5.318 ( 5.261 3.408 -13.949) 15.293 6.003 ( -12.073 1.034 -12.793) 17.621 6.193 ( 1.716 1.828 7.388) 7.802 6.715 ( 3.052 4.672 -0.927) 5.657 6.904 ( -1.806 -9.854 -0.409) 10.027 7.186 ( 4.683 -1.729 5.773) 7.632 7.727 ( -2.435 -0.593 3.781) 4.536 8.714 ( 5.445 -22.648 -3.120) 23.501 12.388 ( -10.033 -2.723 -5.216) 11.631 13.633 ( 0.965 -10.295 2.193) 10.570 15.324 ( -1.472 -4.671 0.353) 4.910 17.345 ( -4.700 7.023 -3.213) 9.041 17.843 ( 10.114 15.914 -0.431) 18.861======================= Grid point 493 (244/468) =======================q-point: (-0.18 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( 7.031 14.329 13.235) 20.735 1.955 ( 3.208 15.474 14.174) 21.228 2.181 ( 2.144 7.216 12.711) 14.773 3.105 ( -7.719 1.701 23.570) 24.860 3.719 ( 5.354 8.110 -4.689) 10.790 5.375 ( 6.171 -2.891 -9.568) 11.746 5.809 ( -10.789 0.090 -11.959) 16.107 6.154 ( 0.327 6.710 6.400) 9.278 6.707 ( 4.661 2.606 -1.750) 5.620 6.976 ( -6.939 -8.610 -2.288) 11.292 7.308 ( 7.599 0.703 11.282) 13.621 7.706 ( -0.887 0.316 3.301) 3.432 9.070 ( -1.129 -21.183 -7.457) 22.485 12.256 ( -11.316 -0.934 -4.357) 12.161 13.844 ( 3.024 -14.156 6.095) 15.706 15.400 ( 0.654 -6.467 0.394) 6.511 17.083 ( -3.868 19.037 -3.428) 19.726 17.827 ( 11.592 7.196 -1.080) 13.686======================= Grid point 494 (245/468) =======================q-point: (-0.09 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( 3.175 21.804 13.092) 25.630 2.000 ( 5.595 -2.023 18.527) 19.459 2.155 ( 4.104 6.726 15.263) 17.177 3.053 ( -4.100 0.406 26.648) 26.964 3.643 ( 3.778 7.584 -7.943) 11.614 5.472 ( 2.011 -3.263 -6.515) 7.559 5.669 ( -7.661 -0.483 -9.240) 12.012 6.086 ( 2.733 5.064 5.474) 7.942 6.754 ( 6.604 1.126 -2.468) 7.140 6.968 ( -8.120 -5.059 -1.707) 9.718 7.358 ( -0.918 1.976 9.922) 10.159 7.747 ( 6.187 -0.034 6.453) 8.940 9.193 ( -13.458 -11.190 -10.040) 20.178 12.110 ( -9.034 0.295 -4.276) 9.999 14.129 ( 6.796 -12.633 9.685) 17.308 15.516 ( 2.009 -6.292 -0.812) 6.655 16.748 ( -1.668 18.625 -2.781) 18.905 17.912 ( 10.111 1.879 -3.442) 10.845======================= Grid point 496 (246/468) =======================q-point: ( 0.09 0.09 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( 2.788 -0.000 11.112) 11.457 2.161 ( -3.272 0.000 25.824) 26.030 2.304 ( 6.212 -0.000 8.065) 10.180 3.343 ( 4.444 -0.000 13.754) 14.454 3.570 ( -2.504 0.000 -8.127) 8.504 5.420 ( -2.392 0.000 0.562) 2.457 5.455 ( -0.802 0.000 -5.843) 5.898 6.290 ( 5.657 -0.000 0.259) 5.663 6.671 ( -7.379 0.000 -1.170) 7.471 7.056 ( 8.622 -0.000 -2.425) 8.957 7.187 ( -5.395 0.000 15.876) 16.767 8.028 ( -0.448 0.000 6.052) 6.068 8.373 ( -20.718 0.000 -1.240) 20.755 11.904 ( 1.311 -0.000 -5.609) 5.760 14.624 ( 7.099 -0.000 6.903) 9.901 15.675 ( 2.223 -0.000 -4.836) 5.323 16.567 ( 0.410 -0.000 -2.399) 2.433 18.044 ( -1.670 0.000 -8.259) 8.426======================= Grid point 497 (247/468) =======================q-point: ( 0.18 0.09 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 1.746 -20.310 8.012) 21.903 2.194 ( 1.269 -0.001 23.653) 23.687 2.418 ( 6.194 -0.944 6.666) 9.148 3.366 ( -0.981 3.195 7.030) 7.784 3.543 ( -5.265 -5.008 -7.221) 10.244 5.345 ( 0.208 3.135 -2.262) 3.872 5.539 ( -0.742 -9.544 -2.624) 9.925 6.333 ( 3.658 3.857 2.466) 5.860 6.584 ( -5.076 -1.292 -0.306) 5.246 7.131 ( -0.444 2.891 10.210) 10.620 7.178 ( 4.353 0.233 5.108) 6.716 7.971 ( -11.627 -2.162 0.483) 11.837 8.125 ( -9.674 4.095 2.046) 10.702 11.961 ( 5.368 -2.773 -3.243) 6.857 14.573 ( 5.267 18.866 4.049) 20.002 15.655 ( -0.427 2.449 -5.875) 6.379 16.722 ( 1.356 -18.422 -1.082) 18.504 17.984 ( -4.946 -0.404 -8.096) 9.496======================= Grid point 498 (248/468) =======================q-point: ( 0.27 0.09 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 0.877 -26.675 4.711) 27.102 2.291 ( 5.315 -0.996 20.001) 20.719 2.497 ( 4.296 2.418 4.437) 6.632 3.258 ( -6.415 5.702 1.390) 8.695 3.536 ( -6.633 -7.185 -4.086) 10.598 5.342 ( 2.496 -0.802 -4.189) 4.941 5.679 ( -0.583 -11.918 -3.754) 12.509 6.290 ( 1.026 6.820 6.507) 9.482 6.581 ( -2.003 -4.007 0.871) 4.564 7.040 ( -4.610 7.866 14.421) 17.061 7.240 ( 5.718 2.413 -2.365) 6.641 7.840 ( -13.139 -6.034 -1.500) 14.536 7.986 ( -3.175 5.302 2.364) 6.616 12.104 ( 7.721 -4.617 -1.399) 9.104 14.305 ( 3.241 25.068 1.085) 25.300 15.578 ( -3.475 2.668 -6.025) 7.450 17.061 ( 3.582 -21.978 1.864) 22.346 17.896 ( -7.454 -1.769 -8.383) 11.356======================= Grid point 499 (249/468) =======================q-point: ( 0.36 0.09 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.335 ( -2.254 -15.716 -0.943) 15.905 2.432 ( 4.686 -3.522 11.474) 12.884 2.491 ( 4.532 2.125 9.331) 10.589 3.065 ( -7.789 6.092 -1.198) 9.961 3.558 ( -5.496 -7.480 0.709) 9.309 5.403 ( 3.601 -2.838 -6.398) 7.871 5.841 ( -0.683 -12.816 -6.122) 14.220 6.214 ( 0.928 7.578 10.216) 12.754 6.618 ( -4.532 -6.008 0.977) 7.589 6.861 ( -4.196 9.975 7.456) 13.142 7.250 ( 3.390 3.786 -2.912) 5.856 7.784 ( -7.368 -3.816 -0.150) 8.299 7.905 ( -0.948 1.158 2.214) 2.673 12.270 ( 6.742 -4.343 -1.022) 8.085 13.988 ( 1.572 22.552 -0.810) 22.621 15.467 ( -5.539 2.393 -5.160) 7.940 17.407 ( 6.232 -13.606 5.361) 15.896 17.818 ( -9.099 -7.122 -9.850) 15.184======================= Grid point 500 (250/468) =======================q-point: ( 0.45 0.09 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.215 ( -6.913 10.565 -4.042) 13.257 2.551 ( -1.729 -3.902 9.572) 10.480 2.712 ( 4.273 -10.733 4.116) 12.263 2.931 ( 1.514 3.403 4.577) 5.901 3.588 ( -4.792 -5.231 4.040) 8.164 5.478 ( 3.702 -2.189 -9.474) 10.405 5.993 ( -1.295 -11.012 -5.114) 12.210 6.148 ( 0.659 5.172 9.636) 10.956 6.575 ( -10.958 -2.237 -3.343) 11.673 6.757 ( 0.762 1.008 2.634) 2.921 7.219 ( 2.599 5.332 -1.172) 6.047 7.732 ( -2.533 0.767 0.538) 2.701 7.942 ( 1.517 -3.901 2.761) 5.014 12.385 ( 2.782 -2.572 -1.845) 4.214 13.719 ( 0.618 16.136 -1.597) 16.227 15.351 ( -5.701 1.488 -3.266) 6.737 17.547 ( 0.528 1.555 1.932) 2.535 17.894 ( -1.904 -15.564 -5.446) 16.599======================= Grid point 501 (251/468) =======================q-point: (-0.45 0.09 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( -6.008 11.586 -1.568) 13.145 2.515 ( -6.922 1.246 5.864) 9.157 2.796 ( -0.139 0.349 2.017) 2.052 3.091 ( 11.964 -3.987 11.834) 17.294 3.590 ( -4.450 -2.854 6.142) 8.104 5.509 ( 2.839 1.311 -13.066) 13.435 6.044 ( -5.364 -1.988 6.230) 8.458 6.165 ( 0.657 -4.235 -5.669) 7.106 6.475 ( -6.843 -5.211 -5.387) 10.149 6.791 ( -0.887 -3.756 -0.062) 3.860 7.177 ( 3.936 6.132 2.233) 7.621 7.709 ( 0.047 0.630 2.110) 2.203 8.055 ( 4.649 -5.464 1.752) 7.385 12.407 ( -2.241 -0.836 -2.973) 3.816 13.545 ( 0.341 8.286 -1.617) 8.449 15.268 ( -4.052 0.094 -0.899) 4.151 17.489 ( -3.499 1.687 -1.879) 4.315 18.079 ( 3.776 -7.067 -1.396) 8.133======================= Grid point 502 (252/468) =======================q-point: (-0.36 0.09 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( 0.168 8.282 4.273) 9.321 2.404 ( -5.040 3.724 7.038) 9.424 2.743 ( -0.511 7.681 5.584) 9.510 3.263 ( 3.897 1.910 13.324) 14.013 3.627 ( 1.800 -5.348 6.625) 8.703 5.469 ( 2.501 4.455 -15.549) 16.366 5.961 ( -11.000 -1.856 -5.417) 12.401 6.208 ( 2.553 -1.081 -1.429) 3.119 6.540 ( -4.372 -13.195 -4.073) 14.485 6.816 ( -0.479 -0.664 -1.250) 1.495 7.182 ( 5.907 2.957 6.755) 9.448 7.714 ( 0.371 0.268 3.517) 3.547 8.240 ( 7.275 -9.057 -0.843) 11.648 12.348 ( -5.992 -0.034 -3.601) 6.991 13.483 ( 0.329 0.720 -1.032) 1.300 15.239 ( -1.461 -1.402 1.068) 2.290 17.417 ( -3.679 0.790 -2.004) 4.264 18.170 ( 5.736 3.056 -1.412) 6.651======================= Grid point 503 (253/468) =======================q-point: (-0.27 0.09 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 6.591 3.692 10.271) 12.751 2.310 ( -1.529 5.675 9.245) 10.955 2.587 ( -0.096 14.842 9.237) 17.481 3.212 ( -4.769 5.629 17.095) 18.618 3.782 ( 5.886 -3.895 4.500) 8.370 5.418 ( 5.035 3.964 -16.615) 17.808 5.799 ( -11.350 -0.150 -11.854) 16.412 6.259 ( 2.309 0.014 1.635) 2.829 6.654 ( -6.650 -13.199 -2.807) 15.043 6.801 ( 1.867 2.745 -1.632) 3.699 7.280 ( 5.862 -1.923 10.540) 12.213 7.719 ( 0.572 0.780 4.100) 4.212 8.496 ( 5.349 -14.234 -4.699) 15.915 12.245 ( -7.311 0.426 -3.731) 8.219 13.528 ( 0.805 -6.146 0.707) 6.239 15.272 ( 1.375 -2.793 2.042) 3.722 17.351 ( -3.199 2.239 -1.061) 4.047 18.150 ( 6.931 10.227 -2.951) 12.701======================= Grid point 504 (254/468) =======================q-point: (-0.18 0.09 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 8.277 2.819 13.098) 15.748 2.180 ( -1.507 14.635 8.764) 17.125 2.416 ( 3.097 12.136 15.046) 19.577 3.104 ( -4.919 3.897 21.348) 22.252 3.856 ( 3.086 3.306 -0.404) 4.541 5.435 ( 7.076 1.653 -16.068) 17.635 5.642 ( -8.047 -0.847 -9.910) 12.793 6.247 ( -0.232 4.063 1.927) 4.503 6.730 ( -6.801 -10.713 -0.238) 12.692 6.803 ( 4.459 1.904 -2.494) 5.452 7.380 ( -0.506 -1.744 10.770) 10.922 7.749 ( 4.691 0.258 5.910) 7.550 8.726 ( -3.660 -16.150 -8.194) 18.477 12.131 ( -6.339 1.231 -4.182) 7.694 13.693 ( 2.705 -13.139 3.918) 13.975 15.362 ( 3.889 -3.921 1.740) 5.790 17.233 ( -2.792 9.222 -0.462) 9.647 18.085 ( 7.455 10.144 -4.957) 13.529======================= Grid point 505 (255/468) =======================q-point: (-0.09 0.09 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( 4.769 25.058 10.490) 27.580 2.040 ( 0.335 -0.467 14.724) 14.735 2.347 ( 1.074 8.260 16.915) 18.855 3.095 ( 1.706 0.101 22.818) 22.882 3.783 ( 0.672 8.322 -5.381) 9.933 5.430 ( -1.827 -0.173 -11.891) 12.032 5.605 ( 1.947 0.146 -6.659) 6.939 6.183 ( 0.599 3.634 2.307) 4.346 6.766 ( -6.966 -7.360 -0.517) 10.147 6.861 ( 7.034 0.827 -1.853) 7.320 7.347 ( -6.623 1.091 9.577) 11.695 7.860 ( 7.354 -0.904 8.619) 11.366 8.788 ( -15.250 -12.057 -8.273) 21.128 12.025 ( -4.353 1.956 -5.641) 7.389 13.996 ( 5.724 -18.870 6.979) 20.918 15.487 ( 5.054 -4.409 0.044) 6.707 17.000 ( -1.635 18.137 -0.880) 18.231 18.058 ( 5.807 4.661 -6.681) 10.004======================= Grid point 508 (256/468) =======================q-point: ( 0.18 0.18 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( 0.770 -0.000 6.571) 6.616 2.283 ( 5.289 -0.000 21.116) 21.769 2.522 ( 7.393 -0.000 4.994) 8.922 3.349 ( -6.449 0.000 1.728) 6.677 3.410 ( -6.661 0.000 -7.409) 9.963 5.408 ( 0.230 -0.000 5.806) 5.810 5.417 ( 0.039 -0.000 -7.242) 7.242 6.429 ( 3.650 -0.000 6.948) 7.849 6.482 ( -6.198 0.000 -0.638) 6.231 7.161 ( -3.522 0.000 17.222) 17.579 7.277 ( 8.158 -0.000 -1.802) 8.355 7.744 ( -14.788 0.000 -2.376) 14.978 8.081 ( -4.622 0.000 4.153) 6.214 12.032 ( 8.437 -0.000 -0.226) 8.440 14.796 ( 4.039 -0.000 2.367) 4.681 15.637 ( -3.202 0.000 -6.691) 7.418 16.581 ( 1.306 -0.000 -2.052) 2.432 17.888 ( -6.667 0.000 -6.793) 9.518======================= Grid point 509 (257/468) =======================q-point: ( 0.27 0.18 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.642 ( -0.222 -19.830 3.533) 20.143 2.410 ( 6.877 -0.117 15.882) 17.307 2.610 ( 5.543 2.178 3.120) 6.723 3.208 ( -9.859 3.357 -1.595) 10.536 3.342 ( -6.685 -5.515 -4.921) 9.966 5.376 ( 2.387 1.279 -2.460) 3.659 5.513 ( -0.455 -8.376 0.186) 8.390 6.382 ( -2.519 2.962 4.317) 5.810 6.505 ( -0.163 -1.836 8.545) 8.742 7.063 ( -11.557 3.602 8.982) 15.074 7.357 ( 6.751 2.949 -1.577) 7.534 7.642 ( -3.168 -3.808 1.434) 5.157 8.008 ( -3.569 3.114 3.443) 5.856 12.174 ( 9.445 -1.924 1.551) 9.763 14.682 ( 2.013 19.837 -0.417) 19.943 15.543 ( -5.164 2.753 -5.787) 8.230 16.771 ( 2.392 -21.257 -1.065) 21.417 17.776 ( -7.407 0.513 -5.813) 9.430======================= Grid point 510 (258/468) =======================q-point: ( 0.36 0.18 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.976 ( -1.927 -25.092 0.111) 25.166 2.486 ( -0.748 1.637 2.417) 3.013 2.629 ( 4.899 3.432 6.840) 9.087 3.033 ( -5.772 3.525 0.734) 6.803 3.368 ( -4.573 -8.741 -0.498) 9.878 5.418 ( 4.042 -1.444 -4.748) 6.400 5.639 ( -1.030 -10.666 -1.326) 10.797 6.333 ( -0.768 2.771 7.780) 8.295 6.508 ( -4.295 1.037 11.226) 12.065 6.831 ( -14.450 2.211 -1.698) 14.717 7.382 ( 6.441 5.385 -0.033) 8.396 7.717 ( 4.375 -2.259 3.557) 6.074 7.930 ( -1.427 2.717 3.054) 4.330 12.322 ( 7.089 -1.690 1.365) 7.414 14.354 ( 0.480 25.550 -2.247) 25.653 15.415 ( -5.736 2.875 -3.680) 7.397 17.175 ( 3.686 -27.181 -0.194) 27.431 17.653 ( -7.223 1.108 -4.993) 8.850======================= Grid point 511 (259/468) =======================q-point: ( 0.45 0.18 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.171 ( -7.034 -4.105 -6.473) 10.403 2.411 ( -6.195 -5.776 1.477) 8.598 2.687 ( 2.181 -2.194 3.491) 4.665 3.020 ( 6.437 -0.385 8.816) 10.923 3.435 ( -4.366 -7.766 2.454) 9.241 5.491 ( 4.379 -1.825 -7.454) 8.836 5.780 ( -1.738 -11.714 -3.273) 12.286 6.287 ( -0.589 8.150 17.083) 18.937 6.387 ( -11.505 -0.900 -2.152) 11.739 6.682 ( -7.220 -3.309 -3.188) 8.558 7.379 ( 6.174 7.074 1.264) 9.474 7.772 ( 3.237 3.274 2.540) 5.259 7.957 ( 5.507 -2.154 4.039) 7.161 12.400 ( 2.195 0.140 -0.184) 2.207 13.998 ( -0.324 22.391 -2.791) 22.567 15.303 ( -4.258 2.261 -0.893) 4.903 17.526 ( -8.860 -3.490 -6.969) 11.800 17.615 ( 6.939 -19.512 2.730) 20.888======================= Grid point 512 (260/468) =======================q-point: (-0.45 0.18 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.000 ( -5.455 7.296 -4.808) 10.301 2.424 ( -6.236 -3.792 4.956) 8.823 2.770 ( 0.819 -4.496 1.827) 4.922 3.207 ( 10.080 -4.181 11.997) 16.218 3.473 ( -4.848 -6.016 3.343) 8.418 5.536 ( 2.372 0.359 -9.223) 9.530 5.880 ( -5.401 -7.486 -5.912) 10.962 6.156 ( -4.534 1.513 4.713) 6.713 6.310 ( -4.116 -1.319 0.858) 4.406 6.685 ( -3.161 -6.498 -1.256) 7.334 7.354 ( 5.191 7.553 2.547) 9.512 7.764 ( 2.272 3.056 3.144) 4.938 8.112 ( 10.657 -1.938 3.299) 11.323 12.378 ( -2.524 1.896 -1.827) 3.648 13.711 ( -0.561 15.388 -2.627) 15.621 15.239 ( -1.548 1.276 1.642) 2.593 17.429 ( -6.083 -0.336 -3.805) 7.183 17.973 ( 5.680 -15.879 0.163) 16.865======================= Grid point 513 (261/468) =======================q-point: (-0.36 0.18 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 0.749 5.258 1.263) 5.459 2.397 ( -2.644 -0.036 7.677) 8.119 2.805 ( -0.911 1.190 5.610) 5.807 3.330 ( -2.095 0.743 11.590) 11.802 3.578 ( 5.266 -8.979 4.589) 11.376 5.504 ( -0.668 2.128 -8.829) 9.106 5.809 ( -6.908 -0.211 -14.060) 15.667 6.192 ( 0.632 -5.636 -1.652) 5.907 6.308 ( -3.878 -5.963 3.790) 8.060 6.757 ( -0.150 -6.238 -0.876) 6.301 7.321 ( 3.408 5.654 4.091) 7.766 7.762 ( 1.916 2.209 4.046) 4.992 8.298 ( 11.911 -1.584 1.375) 12.094 12.288 ( -4.544 2.563 -2.831) 5.936 13.537 ( -0.435 7.247 -2.094) 7.556 15.232 ( 1.287 0.027 3.123) 3.378 17.361 ( -4.144 -0.676 -1.595) 4.491 18.210 ( 5.030 -7.010 -1.644) 8.783======================= Grid point 514 (262/468) =======================q-point: (-0.27 0.18 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 4.506 1.699 6.560) 8.138 2.399 ( 2.408 2.237 10.420) 10.926 2.733 ( -3.298 6.758 10.367) 12.807 3.253 ( -5.285 4.097 11.197) 13.042 3.791 ( 5.445 -6.532 5.669) 10.220 5.467 ( 1.534 -0.298 -10.112) 10.232 5.678 ( -4.559 2.904 -18.440) 19.216 6.263 ( 0.912 -2.739 -1.179) 3.118 6.386 ( -4.881 -11.174 3.272) 12.625 6.833 ( 2.408 -2.012 -1.353) 3.417 7.311 ( 0.112 0.363 5.530) 5.544 7.770 ( 1.999 1.320 4.752) 5.322 8.466 ( 7.919 -2.184 -1.464) 8.344 12.186 ( -3.633 2.677 -3.630) 5.792 13.485 ( 0.219 -0.770 -0.847) 1.166 15.284 ( 3.811 -1.427 3.288) 5.232 17.325 ( -2.442 -0.285 0.679) 2.550 18.303 ( 4.133 1.636 -4.018) 5.992======================= Grid point 515 (263/468) =======================q-point: (-0.18 0.18 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 4.435 -0.760 10.245) 11.190 2.400 ( 3.748 9.424 10.356) 14.495 2.591 ( -3.556 8.228 14.220) 16.809 3.155 ( -2.612 4.006 13.512) 14.334 3.900 ( 0.857 -0.888 3.129) 3.364 5.520 ( 4.726 3.289 -21.840) 22.586 5.545 ( -0.837 -1.806 -6.132) 6.447 6.274 ( -1.162 0.995 -1.416) 2.085 6.492 ( -4.640 -10.915 5.111) 12.915 6.883 ( 4.816 0.562 -1.536) 5.086 7.313 ( -5.154 -2.532 5.648) 8.055 7.813 ( 3.067 -1.475 5.697) 6.636 8.546 ( -1.022 -2.536 -4.057) 4.892 12.101 ( -1.463 3.227 -4.896) 6.043 13.568 ( 1.835 -9.033 1.444) 9.330 15.385 ( 5.459 -2.729 2.048) 6.438 17.290 ( -1.233 2.806 2.312) 3.839 18.272 ( 2.935 7.220 -6.656) 10.249======================= Grid point 516 (264/468) =======================q-point: (-0.09 0.18 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( 3.246 -1.817 14.204) 14.683 2.222 ( 1.555 21.422 9.363) 23.430 2.476 ( -2.726 7.166 14.347) 16.267 3.162 ( 2.372 -1.193 14.939) 15.173 3.858 ( -2.552 4.743 -1.479) 5.585 5.401 ( -1.492 3.787 -14.222) 14.793 5.665 ( 8.074 -0.796 -7.975) 11.376 6.218 ( -1.659 2.085 0.323) 2.684 6.582 ( -3.857 -7.877 5.113) 10.153 6.958 ( 6.804 -0.268 -1.550) 6.983 7.253 ( -8.996 -1.307 7.110) 11.541 7.911 ( 2.687 -4.200 6.340) 8.066 8.486 ( -10.917 -1.829 -4.807) 12.068 12.030 ( 0.423 4.198 -6.107) 7.422 13.805 ( 4.018 -17.530 3.728) 18.367 15.506 ( 5.235 -3.335 -0.458) 6.224 17.196 ( -0.146 10.426 2.567) 10.739 18.173 ( 0.869 7.084 -8.711) 11.262======================= Grid point 520 (265/468) =======================q-point: ( 0.27 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( -0.666 0.000 1.849) 1.965 2.501 ( 1.661 -0.000 6.465) 6.675 2.694 ( 2.816 -0.000 0.783) 2.922 3.122 ( -5.942 0.000 3.054) 6.681 3.190 ( -6.106 0.000 -5.589) 8.278 5.400 ( 1.004 -0.000 -8.780) 8.837 5.472 ( 2.354 -0.000 8.471) 8.792 6.334 ( -4.534 0.000 0.053) 4.535 6.561 ( 2.111 -0.000 19.913) 20.024 6.866 ( -19.821 0.000 -0.706) 19.834 7.475 ( 6.776 -0.000 -1.062) 6.859 7.665 ( 7.966 -0.000 6.516) 10.292 7.991 ( -3.267 0.000 4.175) 5.302 12.296 ( 9.111 -0.000 2.938) 9.573 14.844 ( -0.684 0.000 -2.787) 2.869 15.496 ( -4.351 0.000 -3.897) 5.842 16.618 ( 1.882 -0.000 -1.695) 2.533 17.676 ( -6.552 0.000 -4.219) 7.793======================= Grid point 521 (266/468) =======================q-point: ( 0.36 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( -1.112 -18.612 -0.682) 18.657 2.445 ( -7.998 1.581 -5.160) 9.649 2.688 ( -2.327 0.347 -1.096) 2.596 3.058 ( 1.623 3.283 6.031) 7.056 3.208 ( -1.405 -6.962 1.721) 7.308 5.419 ( 2.005 -2.714 -9.903) 10.462 5.550 ( 2.413 -3.242 8.419) 9.339 6.292 ( -3.468 -1.555 0.340) 3.816 6.545 ( -14.877 3.702 14.880) 21.365 6.635 ( -4.162 0.413 3.387) 5.382 7.536 ( 6.098 3.147 -0.344) 6.870 7.827 ( 11.342 -0.023 6.633) 13.139 7.950 ( -1.070 1.391 4.654) 4.974 12.407 ( 5.734 0.209 2.273) 6.172 14.670 ( -2.097 18.296 -4.470) 18.950 15.399 ( -3.234 4.415 -1.106) 5.583 16.825 ( 1.696 -22.679 -1.988) 22.829 17.584 ( -4.661 0.734 -2.722) 5.448======================= Grid point 522 (267/468) =======================q-point: ( 0.45 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( -2.067 -20.024 -3.834) 20.492 2.276 ( -8.913 1.488 -5.899) 10.792 2.651 ( -3.808 -2.851 -1.454) 4.974 3.120 ( 6.836 -1.417 8.011) 10.626 3.286 ( -2.781 -5.801 4.533) 7.870 5.479 ( 2.267 -4.198 -12.524) 13.402 5.651 ( 0.557 -4.906 8.242) 9.607 6.222 ( -11.813 0.961 -4.865) 12.812 6.350 ( -5.225 -0.845 7.530) 9.204 6.601 ( -1.412 3.649 12.622) 13.214 7.551 ( 5.120 5.345 0.274) 7.406 7.864 ( 0.272 3.400 3.421) 4.831 8.072 ( 14.045 -0.880 7.188) 15.802 12.439 ( 0.725 1.966 0.414) 2.136 14.314 ( -2.329 23.741 -4.894) 24.352 15.309 ( -1.029 3.734 1.965) 4.343 17.181 ( -2.869 -23.202 -4.628) 23.832 17.557 ( 1.411 -3.934 0.568) 4.217======================= Grid point 523 (268/468) =======================q-point: (-0.45 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.997 ( -2.051 0.945 -6.529) 6.908 2.247 ( -4.728 -10.417 1.296) 11.513 2.691 ( -1.181 -7.367 0.346) 7.469 3.284 ( 1.990 -2.241 13.493) 13.822 3.317 ( -0.398 -8.119 0.284) 8.134 5.524 ( -0.178 -1.942 -10.560) 10.739 5.707 ( -5.354 -5.355 0.183) 7.575 6.066 ( -4.846 -0.612 -5.375) 7.263 6.351 ( 0.320 2.596 12.092) 12.372 6.571 ( -1.841 -2.164 4.911) 5.673 7.523 ( 3.695 6.969 0.780) 7.927 7.833 ( 0.450 2.435 3.373) 4.185 8.297 ( 15.874 0.572 6.263) 17.074 12.380 ( -2.735 3.488 -1.340) 4.631 13.948 ( -2.215 20.477 -4.434) 21.068 15.273 ( 1.588 2.747 3.933) 5.053 17.293 ( -6.083 -6.259 -3.661) 9.464 17.801 ( 5.752 -17.835 0.292) 18.742======================= Grid point 524 (269/468) =======================q-point: (-0.36 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 1.592 3.171 -1.284) 3.774 2.343 ( -0.555 -6.686 4.948) 8.337 2.781 ( -0.966 -4.265 3.989) 5.919 3.247 ( -9.433 -3.415 7.502) 12.527 3.549 ( 7.833 -9.261 5.978) 13.523 5.470 ( -5.345 0.377 -3.489) 6.394 5.694 ( -2.209 -3.208 -17.386) 17.817 6.082 ( -0.072 -4.893 -1.923) 5.258 6.319 ( 0.301 4.595 13.170) 13.952 6.655 ( 1.223 -8.149 0.323) 8.246 7.457 ( 1.904 7.616 1.079) 7.924 7.818 ( 0.528 1.736 3.641) 4.068 8.491 ( 13.443 2.293 4.369) 14.320 12.282 ( -2.629 3.832 -2.595) 5.322 13.667 ( -1.700 13.419 -3.576) 13.991 15.286 ( 3.632 1.602 4.423) 5.944 17.281 ( -3.654 -2.863 -0.329) 4.654 18.109 ( 4.002 -14.528 -2.284) 15.242======================= Grid point 525 (270/468) =======================q-point: (-0.27 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( 3.414 1.206 3.148) 4.798 2.454 ( 3.620 -3.729 8.806) 10.225 2.763 ( -4.945 3.130 9.964) 11.556 3.193 ( -7.444 -3.503 4.705) 9.478 3.772 ( 4.439 -7.176 6.467) 10.631 5.428 ( -0.801 -3.007 -4.067) 5.121 5.653 ( 0.133 1.872 -21.418) 21.500 6.158 ( -1.302 -6.948 -1.968) 7.338 6.311 ( 0.439 0.358 10.904) 10.919 6.804 ( 3.622 -7.085 -0.684) 7.986 7.363 ( -0.783 6.794 1.157) 6.936 7.810 ( 0.238 0.958 3.835) 3.960 8.593 ( 6.742 4.038 2.106) 8.136 12.203 ( 0.105 3.741 -3.850) 5.369 13.510 ( -0.703 5.141 -2.386) 5.711 15.342 ( 4.961 -0.024 3.559) 6.106 17.283 ( -1.532 -2.063 2.490) 3.578 18.297 ( 2.010 -6.784 -4.712) 8.501======================= Grid point 526 (271/468) =======================q-point: (-0.18 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( 4.023 -0.413 7.017) 8.099 2.539 ( -0.379 1.952 12.223) 12.384 2.652 ( -2.363 4.240 11.120) 12.133 3.157 ( -4.070 -1.144 4.477) 6.158 3.879 ( -0.864 -2.677 5.154) 5.872 5.529 ( 5.675 -5.128 -2.235) 7.968 5.562 ( 1.327 3.985 -22.550) 22.937 6.222 ( -1.605 -4.554 -4.292) 6.461 6.362 ( -0.231 -4.180 11.815) 12.535 6.934 ( 5.012 -2.940 -1.624) 6.033 7.250 ( -4.792 3.808 0.909) 6.188 7.819 ( 0.037 -1.179 3.843) 4.020 8.559 ( -2.032 5.438 0.293) 5.812 12.158 ( 2.885 4.382 -5.209) 7.394 13.495 ( 0.783 -3.551 -0.717) 3.706 15.429 ( 5.028 -1.682 1.394) 5.482 17.303 ( 0.168 -0.650 4.509) 4.559 18.338 ( -0.100 1.143 -7.122) 7.213======================= Grid point 527 (272/468) =======================q-point: (-0.09 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.093 ( 4.216 -0.868 12.017) 12.764 2.441 ( -4.276 5.596 12.688) 14.512 2.601 ( 1.491 10.247 7.668) 12.885 3.157 ( -1.699 -3.538 6.110) 7.262 3.854 ( -4.476 1.826 1.997) 5.230 5.443 ( 0.880 6.234 -14.822) 16.103 5.731 ( 9.363 -5.219 -5.974) 12.272 6.207 ( -2.320 1.117 -3.557) 4.391 6.472 ( 0.551 -6.835 12.330) 14.109 7.027 ( 5.252 -1.135 -0.623) 5.409 7.129 ( -8.152 0.662 0.304) 8.184 7.864 ( -0.502 -4.229 3.311) 5.394 8.391 ( -9.615 6.348 -0.816) 11.550 12.125 ( 4.471 5.645 -5.706) 9.187 13.633 ( 2.387 -12.651 0.939) 12.908 15.519 ( 3.180 -2.669 -1.632) 4.461 17.311 ( 1.740 3.337 5.472) 6.641 18.243 ( -2.610 6.556 -9.276) 11.655======================= Grid point 532 (273/468) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( -0.448 0.000 -1.938) 1.989 2.320 ( -8.921 0.000 -9.117) 12.756 2.599 ( -8.176 0.000 -4.870) 9.516 3.120 ( 1.218 -0.000 -2.211) 2.524 3.186 ( 3.609 -0.000 13.613) 14.083 5.394 ( 1.301 -0.000 -9.985) 10.070 5.595 ( 2.852 -0.000 10.538) 10.917 6.244 ( -2.177 0.000 0.796) 2.318 6.296 ( -17.821 0.000 -5.930) 18.781 6.700 ( 0.604 -0.000 24.495) 24.502 7.630 ( 4.719 -0.000 -0.400) 4.736 7.922 ( -1.478 0.000 4.288) 4.536 8.061 ( 15.877 -0.000 9.062) 18.281 12.470 ( 2.150 -0.000 1.464) 2.601 14.748 ( -4.575 0.000 -6.125) 7.645 15.423 ( -0.147 0.000 1.055) 1.065 16.665 ( 1.925 -0.000 -1.445) 2.407 17.532 ( -2.816 0.000 -1.814) 3.350======================= Grid point 533 (274/468) =======================q-point: ( 0.45 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 0.065 -17.314 -3.262) 17.619 2.189 ( -5.189 2.006 -8.518) 10.174 2.501 ( -7.956 -4.597 -5.062) 10.491 3.153 ( 1.661 -2.648 -1.401) 3.426 3.252 ( 0.588 -0.495 13.830) 13.851 5.415 ( 1.164 -3.203 -11.369) 11.869 5.626 ( -4.202 -0.898 10.704) 11.534 6.086 ( -6.853 1.278 -8.081) 10.672 6.258 ( -1.106 -4.116 1.076) 4.396 6.713 ( -0.808 5.139 25.415) 25.942 7.667 ( 3.562 2.538 -0.092) 4.375 7.894 ( -1.547 1.542 4.145) 4.686 8.314 ( 18.019 0.453 9.387) 20.322 12.462 ( -1.750 1.696 -0.152) 2.442 14.546 ( -5.066 15.503 -7.012) 17.753 15.394 ( 2.404 5.317 3.816) 6.972 16.840 ( 0.218 -18.617 -2.260) 18.754 17.521 ( 0.222 -2.385 -0.521) 2.451======================= Grid point 534 (275/468) =======================q-point: (-0.45 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 1.548 -17.949 -3.845) 18.421 2.099 ( -2.290 0.287 -5.258) 5.742 2.519 ( -4.100 -10.426 -2.691) 11.521 3.173 ( -6.209 -1.648 3.009) 7.093 3.330 ( 4.356 -4.852 10.362) 12.243 5.444 ( -2.902 -2.573 -8.790) 9.608 5.557 ( -7.873 -3.682 0.091) 8.692 6.045 ( 2.892 0.905 -4.332) 5.287 6.341 ( 1.948 -6.031 2.507) 6.816 6.643 ( -1.440 8.395 22.073) 23.659 7.653 ( 2.385 5.019 0.093) 5.558 7.864 ( -0.728 1.518 3.716) 4.079 8.553 ( 16.220 1.791 8.424) 18.364 12.388 ( -2.976 3.093 -1.611) 4.585 14.195 ( -4.476 20.550 -6.444) 21.996 15.375 ( 4.141 4.632 5.050) 8.006 17.073 ( -2.833 -14.358 -1.967) 14.766 17.645 ( 3.566 -12.023 -0.524) 12.552======================= Grid point 535 (276/468) =======================q-point: (-0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( 2.111 1.251 -3.869) 4.582 2.205 ( 1.493 -13.940 0.586) 14.032 2.655 ( -1.442 -12.257 0.401) 12.348 3.067 ( -12.036 -0.789 6.775) 13.834 3.527 ( 5.800 -8.985 7.260) 12.926 5.361 ( -7.933 -1.854 -1.201) 8.235 5.584 ( 0.474 -5.830 -14.892) 15.999 6.071 ( 2.745 0.656 -0.952) 2.979 6.448 ( 3.289 3.342 13.408) 14.204 6.584 ( 0.686 -2.126 6.936) 7.286 7.589 ( 1.152 7.227 -0.134) 7.319 7.844 ( -0.524 1.210 3.440) 3.684 8.713 ( 10.401 3.834 6.114) 12.659 12.308 ( -0.543 3.396 -2.834) 4.456 13.850 ( -3.343 17.486 -5.069) 18.510 15.389 ( 4.774 3.307 4.494) 7.344 17.177 ( -2.160 -6.480 1.194) 6.934 17.913 ( 2.726 -17.321 -3.073) 17.802======================= Grid point 536 (277/468) =======================q-point: (-0.27 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 3.185 0.540 -1.444) 3.539 2.418 ( 3.160 -9.513 5.533) 11.450 2.744 ( -3.834 0.074 8.207) 9.059 2.969 ( -11.141 -10.113 1.563) 15.127 3.730 ( 2.922 -7.554 6.970) 10.686 5.345 ( -1.150 -5.927 -2.575) 6.564 5.629 ( 2.020 -1.967 -17.640) 17.864 6.100 ( 1.420 -1.060 1.052) 2.060 6.403 ( 1.459 7.100 14.728) 16.415 6.738 ( 4.376 -9.147 -0.258) 10.144 7.474 ( -0.679 9.162 -0.863) 9.228 7.826 ( -0.878 0.981 3.283) 3.538 8.735 ( 1.896 6.185 3.455) 7.334 12.272 ( 3.343 3.478 -4.133) 6.353 13.601 ( -1.909 10.607 -3.600) 11.363 15.426 ( 4.554 1.568 2.779) 5.561 17.236 ( -0.239 -3.802 4.110) 5.604 18.154 ( 0.395 -13.520 -5.466) 14.588======================= Grid point 537 (278/468) =======================q-point: (-0.18 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( 4.417 -1.196 0.568) 4.611 2.525 ( -5.050 0.304 14.446) 15.307 2.684 ( -0.108 -1.469 7.592) 7.734 3.015 ( -6.210 -9.212 -1.589) 11.223 3.828 ( -2.001 -3.305 6.560) 7.613 5.484 ( 4.704 -9.387 -8.406) 13.450 5.621 ( 3.965 3.233 -11.212) 12.324 6.150 ( 1.230 -3.070 0.681) 3.377 6.378 ( 1.006 2.067 10.574) 10.821 6.920 ( 4.677 -7.308 -1.627) 8.828 7.303 ( -3.459 10.318 -1.693) 11.013 7.809 ( -1.209 0.023 3.236) 3.454 8.606 ( -6.189 8.028 1.366) 10.228 12.271 ( 5.733 4.318 -5.201) 8.864 13.486 ( -0.354 2.306 -2.198) 3.206 15.473 ( 3.078 -0.247 0.138) 3.091 17.301 ( 1.531 -2.573 5.992) 6.698 18.274 ( -1.853 -6.049 -7.351) 9.699======================= Grid point 538 (279/468) =======================q-point: (-0.09 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.165 ( 5.335 -2.712 2.326) 6.421 2.429 ( -6.072 2.642 17.601) 18.805 2.742 ( 2.069 2.256 5.742) 6.507 3.039 ( -5.591 -6.384 -0.919) 8.536 3.811 ( -4.892 0.327 5.111) 7.083 5.514 ( 1.430 4.199 -18.086) 18.622 5.758 ( 9.264 -6.662 2.855) 11.762 6.195 ( 0.929 0.303 -4.432) 4.538 6.431 ( 1.742 -4.960 12.211) 13.294 7.059 ( 2.832 -4.051 -4.198) 6.485 7.087 ( -5.260 8.811 -0.807) 10.293 7.812 ( -1.336 -2.052 3.022) 3.890 8.360 ( -11.441 8.927 -0.071) 14.512 12.272 ( 6.212 5.537 -5.192) 9.809 13.517 ( 0.977 -6.495 -0.991) 6.642 15.507 ( 0.186 -1.523 -2.765) 3.162 17.372 ( 3.053 -0.883 6.764) 7.473 18.245 ( -3.984 2.220 -8.835) 9.943======================= Grid point 544 (280/468) =======================q-point: ( 0.45 0.45 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 0.422 -0.000 -3.147) 3.175 2.158 ( 0.193 -0.000 -8.747) 8.749 2.332 ( -8.216 0.000 -6.865) 10.707 3.142 ( 0.272 -0.000 -2.048) 2.066 3.272 ( -1.701 0.000 14.813) 14.910 5.386 ( 1.129 -0.000 -10.606) 10.666 5.514 ( -12.970 0.000 6.647) 14.574 6.076 ( 4.934 -0.000 -5.785) 7.604 6.225 ( 0.485 -0.000 1.195) 1.289 6.792 ( -1.489 0.000 28.420) 28.459 7.723 ( 2.113 -0.000 0.012) 2.113 7.893 ( -1.359 0.000 4.521) 4.721 8.582 ( 17.240 -0.000 10.046) 19.953 12.436 ( -3.344 0.000 -1.232) 3.564 14.564 ( -6.605 0.000 -7.932) 10.322 15.497 ( 4.278 -0.000 4.561) 6.253 16.706 ( 1.424 -0.000 -1.365) 1.972 17.505 ( 0.746 -0.000 -0.400) 0.846======================= Grid point 545 (281/468) =======================q-point: (-0.45 -0.55 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( 0.364 -18.265 -2.204) 18.402 2.113 ( 0.151 3.716 -8.449) 9.232 2.309 ( -3.565 -9.060 -6.390) 11.646 3.113 ( -4.024 2.338 1.779) 4.982 3.311 ( 0.187 -5.133 12.427) 13.447 5.332 ( -10.927 0.181 0.853) 10.961 5.417 ( -0.747 -4.440 -9.071) 10.127 6.133 ( 6.143 2.940 -2.329) 7.197 6.294 ( 3.520 -5.774 0.510) 6.782 6.786 ( -1.300 5.935 28.115) 28.764 7.727 ( 0.833 2.167 -0.016) 2.321 7.879 ( -0.758 1.056 4.323) 4.514 8.797 ( 12.597 1.708 8.932) 15.536 12.382 ( -1.812 1.448 -2.261) 3.239 14.358 ( -6.158 13.037 -7.310) 16.165 15.525 ( 4.967 5.258 4.734) 8.645 16.835 ( 0.133 -13.911 -1.138) 13.958 17.555 ( 1.643 -5.295 -0.693) 5.588======================= Grid point 546 (282/468) =======================q-point: (-0.36 -0.55 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 0.374 -20.527 -0.606) 20.540 2.074 ( 1.589 -1.461 -7.579) 7.881 2.417 ( -3.526 -13.307 -4.530) 14.493 2.976 ( -8.238 5.548 7.750) 12.598 3.471 ( 3.210 -9.545 8.554) 13.213 5.216 ( -7.847 -2.728 0.796) 8.345 5.482 ( 1.580 -6.241 -12.224) 13.816 6.150 ( 4.041 3.437 -0.162) 5.308 6.463 ( 5.726 -8.013 0.090) 9.849 6.711 ( -0.200 10.154 24.836) 26.832 7.682 ( -0.212 4.608 -0.614) 4.654 7.860 ( -0.733 1.427 3.985) 4.295 8.891 ( 4.845 4.291 6.297) 9.030 12.354 ( 2.542 2.101 -3.274) 4.647 14.041 ( -4.634 17.477 -5.600) 18.928 15.520 ( 4.307 4.950 3.469) 7.422 17.031 ( -0.247 -12.118 1.499) 12.213 17.704 ( 0.920 -13.163 -3.191) 13.576======================= Grid point 547 (283/468) =======================q-point: (-0.27 -0.55 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( -0.220 -2.271 -5.739) 6.176 2.292 ( 3.752 -16.409 1.073) 16.867 2.567 ( -6.489 -17.953 -3.522) 19.412 2.790 ( -7.730 6.996 12.094) 15.967 3.659 ( 1.482 -8.455 7.269) 11.249 5.223 ( -1.391 -7.399 -1.167) 7.618 5.579 ( 3.451 -5.701 -12.875) 14.497 6.154 ( 3.463 2.894 1.671) 4.813 6.600 ( 1.307 11.701 19.450) 22.736 6.665 ( 4.865 -9.331 -0.483) 10.534 7.581 ( -1.579 7.618 -1.877) 8.003 7.834 ( -1.266 1.428 3.628) 4.100 8.828 ( -3.277 7.053 3.307) 8.451 12.374 ( 6.352 2.862 -4.404) 8.242 13.743 ( -3.009 14.594 -3.901) 15.403 15.515 ( 2.778 3.227 1.338) 4.463 17.178 ( 1.273 -6.929 4.897) 8.580 17.914 ( -1.319 -16.500 -6.200) 17.676======================= Grid point 548 (284/468) =======================q-point: (-0.18 -0.55 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.040 ( -2.641 -4.886 -5.987) 8.167 2.524 ( 3.888 -4.843 8.491) 10.520 2.645 ( -5.038 0.008 11.042) 12.137 2.735 ( -5.444 -15.288 -2.545) 16.427 3.757 ( -2.594 -4.153 7.355) 8.836 5.367 ( 2.605 -10.805 -8.220) 13.824 5.685 ( 6.797 -2.616 -6.723) 9.911 6.178 ( 4.014 1.144 2.783) 5.017 6.492 ( 0.334 8.853 12.335) 15.186 6.858 ( 4.148 -8.774 -1.325) 9.795 7.409 ( -3.615 10.779 -3.326) 11.845 7.802 ( -1.741 0.950 3.406) 3.941 8.627 ( -9.019 9.300 0.945) 12.990 12.409 ( 7.033 4.109 -5.161) 9.642 13.542 ( -1.378 7.844 -2.636) 8.389 15.504 ( 0.365 1.481 -1.189) 1.934 17.296 ( 2.882 -4.118 6.625) 8.315 18.087 ( -3.085 -12.938 -7.771) 15.405======================= Grid point 549 (285/468) =======================q-point: (-0.09 0.45 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( -5.506 -8.933 -4.411) 11.383 2.536 ( 4.346 7.611 18.769) 20.714 2.730 ( 0.269 -7.386 4.242) 8.521 2.840 ( -5.333 -9.405 -2.890) 11.191 3.754 ( -4.800 -0.881 7.485) 8.935 5.491 ( 1.520 -4.691 -18.272) 18.925 5.832 ( 8.957 -2.423 6.561) 11.365 6.240 ( 5.398 0.963 -0.520) 5.508 6.427 ( -0.600 0.776 7.575) 7.638 7.008 ( 1.641 -5.913 -3.786) 7.210 7.171 ( -4.859 11.671 -3.100) 13.017 7.778 ( -2.003 -0.367 3.225) 3.814 8.343 ( -11.010 10.440 -0.353) 15.176 12.418 ( 5.425 4.924 -4.956) 8.845 13.473 ( 0.032 -0.082 -1.790) 1.792 15.473 ( -2.602 0.140 -3.343) 4.238 17.403 ( 3.533 -2.722 6.431) 7.827 18.157 ( -3.779 -5.049 -7.986) 10.176======================= Grid point 556 (286/468) =======================q-point: (-0.45 -0.45 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.436 ( -2.446 0.000 -0.025) 2.447 2.154 ( -0.856 0.000 -10.409) 10.444 2.156 ( -1.899 0.000 -8.213) 8.429 3.116 ( -1.127 0.000 -2.178) 2.452 3.270 ( -1.797 0.000 17.851) 17.941 5.184 ( -10.174 0.000 2.938) 10.590 5.372 ( 1.150 -0.000 -10.604) 10.667 6.271 ( 8.008 -0.000 -2.130) 8.287 6.272 ( 2.470 -0.000 1.038) 2.679 6.876 ( -0.517 0.000 29.551) 29.556 7.741 ( -0.811 0.000 0.062) 0.813 7.889 ( -0.398 0.000 4.313) 4.332 8.958 ( 6.137 -0.000 7.738) 9.876 12.385 ( 2.059 -0.000 -2.957) 3.604 14.356 ( -5.974 0.000 -6.393) 8.750 15.642 ( 4.203 -0.000 3.736) 5.624 16.727 ( 0.573 -0.000 -1.465) 1.573 17.531 ( 0.582 -0.000 -0.743) 0.944======================= Grid point 557 (287/468) =======================q-point: (-0.36 -0.45 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( -3.818 -21.445 2.009) 21.874 2.058 ( -3.443 1.251 -10.614) 11.228 2.206 ( -2.215 -7.842 -7.174) 10.857 3.023 ( -2.132 8.055 4.323) 9.387 3.382 ( 1.333 -9.257 12.150) 15.332 5.094 ( -5.152 -1.742 3.075) 6.247 5.403 ( 1.780 -4.540 -10.593) 11.662 6.264 ( 4.065 4.244 0.653) 5.913 6.431 ( 5.455 -6.418 -0.517) 8.439 6.889 ( 0.354 6.095 27.095) 27.775 7.709 ( -2.128 1.652 -0.426) 2.728 7.882 ( -0.533 1.390 4.043) 4.308 8.984 ( -0.950 3.172 5.446) 6.374 12.433 ( 7.003 1.114 -3.892) 8.088 14.183 ( -4.647 11.611 -4.632) 13.337 15.650 ( 2.604 5.202 2.134) 6.197 16.840 ( 0.435 -13.379 -0.267) 13.389 17.565 ( -0.919 -5.423 -2.222) 5.932======================= Grid point 558 (288/468) =======================q-point: (-0.27 -0.45 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( -3.460 -18.988 1.304) 19.344 1.994 ( -8.914 -13.588 -8.613) 18.392 2.301 ( -0.820 -9.766 -3.359) 10.360 2.891 ( 0.260 9.601 9.194) 13.296 3.558 ( 0.256 -9.326 8.239) 12.447 5.115 ( -0.014 -5.313 1.215) 5.450 5.511 ( 4.263 -7.724 -9.628) 13.058 6.264 ( 4.426 3.953 2.045) 6.277 6.595 ( 3.487 -7.430 0.528) 8.224 6.825 ( 0.637 10.002 20.465) 22.787 7.629 ( -3.402 4.189 -1.938) 5.734 7.851 ( -1.174 2.238 3.931) 4.673 8.871 ( -5.737 7.003 3.109) 9.572 12.511 ( 9.200 2.839 -5.137) 10.913 13.913 ( -3.489 15.754 -3.017) 16.416 15.597 ( 0.391 4.949 0.040) 4.964 17.070 ( 2.398 -13.819 3.535) 14.464 17.654 ( -3.390 -12.106 -5.624) 13.772======================= Grid point 559 (289/468) =======================q-point: (-0.18 -0.45 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( -10.837 -6.038 -6.070) 13.811 2.297 ( -4.031 -27.348 1.406) 27.679 2.440 ( -0.910 -10.946 -0.064) 10.984 2.808 ( 5.126 9.598 11.931) 16.148 3.667 ( -2.676 -5.671 7.607) 9.859 5.235 ( 2.072 -9.058 -6.009) 11.065 5.698 ( 8.367 -8.063 -4.701) 12.534 6.285 ( 5.545 3.127 3.698) 7.362 6.642 ( -2.881 7.658 11.570) 14.171 6.800 ( 3.379 -4.356 1.017) 5.606 7.480 ( -4.987 7.948 -4.049) 10.219 7.807 ( -1.762 2.105 3.965) 4.823 8.655 ( -7.340 10.781 1.203) 13.098 12.558 ( 6.987 4.860 -5.901) 10.357 13.660 ( -2.130 12.371 -1.869) 12.691 15.523 ( -2.111 3.415 -1.916) 4.448 17.283 ( 4.627 -7.105 6.520) 10.696 17.797 ( -4.816 -17.134 -8.292) 19.635======================= Grid point 560 (290/468) =======================q-point: (-0.09 -0.45 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( -9.978 -10.146 -2.712) 14.487 2.554 ( -5.502 -10.295 0.779) 11.699 2.583 ( -2.114 -15.811 3.816) 16.402 2.823 ( 10.992 6.028 12.171) 17.473 3.688 ( -4.206 -1.959 8.682) 9.843 5.376 ( 1.929 -8.844 -15.020) 17.536 5.920 ( 9.204 -4.542 3.457) 10.830 6.353 ( 7.705 0.378 4.878) 9.127 6.471 ( -4.902 8.849 3.931) 10.853 6.922 ( 0.649 -6.891 -2.675) 7.421 7.255 ( -6.079 10.871 -4.894) 13.382 7.764 ( -2.054 1.335 3.865) 4.576 8.386 ( -6.200 13.024 -0.006) 14.425 12.535 ( 2.527 5.259 -5.499) 8.018 13.509 ( -0.387 5.780 -1.350) 5.949 15.434 ( -4.239 2.101 -3.014) 5.610 17.420 ( 3.450 -2.890 5.034) 6.753 17.961 ( -2.709 -14.019 -7.025) 15.913======================= Grid point 568 (291/468) =======================q-point: (-0.36 -0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.314 ( -6.595 0.000 4.438) 7.949 1.929 ( -12.050 0.000 -10.304) 15.855 2.142 ( 1.527 -0.000 -5.326) 5.541 3.100 ( 1.586 -0.000 -3.486) 3.830 3.340 ( 0.401 -0.000 17.936) 17.941 5.056 ( 0.223 -0.000 5.489) 5.494 5.369 ( 1.797 -0.000 -9.981) 10.142 6.356 ( 3.306 -0.000 0.484) 3.341 6.450 ( 5.475 -0.000 1.010) 5.568 6.983 ( -1.143 0.000 24.343) 24.370 7.679 ( -3.679 0.000 -0.262) 3.689 7.893 ( -0.725 0.000 3.733) 3.802 8.981 ( -4.075 0.000 4.736) 6.248 12.555 ( 10.605 -0.000 -5.225) 11.822 14.206 ( -3.725 0.000 -3.033) 4.804 15.722 ( 0.767 -0.000 1.179) 1.407 16.724 ( -0.332 0.000 -1.715) 1.747 17.504 ( -2.312 0.000 -1.743) 2.895======================= Grid point 569 (292/468) =======================q-point: (-0.27 -0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( -5.988 -25.139 5.184) 26.357 1.739 ( -14.004 -1.649 -7.252) 15.856 2.186 ( -0.147 -5.363 -1.464) 5.561 3.066 ( 4.374 7.436 1.542) 8.763 3.442 ( -1.275 -8.094 11.488) 14.110 5.105 ( 4.289 -0.033 4.430) 6.166 5.439 ( 4.211 -7.628 -7.920) 11.775 6.380 ( 4.259 2.715 1.400) 5.241 6.558 ( 3.672 -4.319 2.209) 6.084 6.951 ( -4.348 4.878 17.146) 18.349 7.609 ( -4.970 1.634 -1.118) 5.350 7.874 ( -1.244 1.762 3.727) 4.307 8.903 ( -2.960 5.181 4.719) 7.607 12.673 ( 10.067 2.446 -7.235) 12.636 14.066 ( -3.341 11.479 -1.661) 12.071 15.670 ( -1.255 5.969 -0.215) 6.103 16.858 ( 0.971 -17.478 -0.332) 17.508 17.485 ( -3.700 -3.480 -2.580) 5.697======================= Grid point 570 (293/468) =======================q-point: (-0.18 -0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( -13.315 -6.153 -3.571) 15.096 1.821 ( -2.735 -31.266 5.725) 31.904 2.273 ( -2.595 -8.684 2.104) 9.304 3.045 ( 7.097 7.478 7.019) 12.472 3.552 ( -2.351 -7.696 7.378) 10.917 5.173 ( 3.471 -2.239 -3.119) 5.175 5.667 ( 9.194 -11.619 -3.087) 15.134 6.413 ( 5.482 2.505 3.656) 7.050 6.639 ( -2.621 -1.852 5.022) 5.960 6.832 ( -3.134 4.029 5.666) 7.626 7.485 ( -6.304 4.620 -3.241) 8.461 7.828 ( -1.840 2.610 3.999) 5.118 8.771 ( 0.164 12.007 4.052) 12.674 12.702 ( 4.523 5.572 -8.437) 11.077 13.823 ( -2.587 14.494 -0.238) 14.725 15.546 ( -3.313 5.914 -1.570) 6.958 17.196 ( 5.733 -20.165 3.068) 21.188 17.493 ( -5.890 -8.259 -5.296) 11.443======================= Grid point 571 (294/468) =======================q-point: (-0.09 -0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( -7.643 -8.804 2.171) 11.859 2.235 ( -1.261 -26.740 4.540) 27.152 2.359 ( -5.110 -9.421 4.253) 11.530 3.071 ( 7.697 5.244 11.231) 14.590 3.624 ( -1.365 -3.683 7.208) 8.209 5.263 ( 2.887 -6.333 -11.517) 13.457 5.954 ( 9.619 -9.083 -0.544) 13.241 6.416 ( -6.626 4.388 6.135) 10.040 6.560 ( 3.146 3.073 2.525) 5.071 6.846 ( 1.249 -3.128 -0.406) 3.393 7.292 ( -6.960 7.975 -4.968) 11.693 7.774 ( -2.020 2.228 4.412) 5.339 8.577 ( 2.167 17.596 1.647) 17.805 12.608 ( -2.456 6.187 -7.262) 9.851 13.620 ( -0.501 10.412 0.296) 10.428 15.415 ( -4.316 4.346 -1.888) 6.410 17.437 ( 2.122 -1.302 2.517) 3.540 17.655 ( 0.134 -23.618 -5.021) 24.146======================= Grid point 580 (295/468) =======================q-point: (-0.27 -0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( -6.393 0.000 8.394) 10.551 1.532 ( -12.319 0.000 -1.590) 12.421 2.135 ( -1.797 0.000 2.356) 2.963 3.196 ( 6.691 -0.000 -6.438) 9.285 3.365 ( -4.349 0.000 16.959) 17.507 5.240 ( 10.367 -0.000 7.948) 13.063 5.394 ( 2.831 -0.000 -8.728) 9.176 6.449 ( 3.457 -0.000 -0.335) 3.473 6.588 ( 2.782 -0.000 6.141) 6.742 6.917 ( -8.402 0.000 9.276) 12.516 7.543 ( -6.085 0.000 -0.837) 6.143 7.873 ( -2.095 0.000 3.121) 3.759 8.962 ( 3.859 -0.000 7.483) 8.419 12.793 ( 6.387 -0.000 -10.363) 12.173 14.108 ( -3.413 0.000 -0.467) 3.445 15.707 ( -1.538 0.000 0.018) 1.538 16.697 ( -1.019 0.000 -2.055) 2.294 17.423 ( -2.037 0.000 -0.313) 2.061======================= Grid point 581 (296/468) =======================q-point: (-0.18 -0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( -6.654 -18.074 5.926) 20.151 1.467 ( -3.220 -10.775 8.765) 14.258 2.144 ( -3.156 -4.533 5.577) 7.849 3.217 ( 3.050 4.966 5.763) 8.196 3.419 ( -1.029 -8.749 5.629) 10.454 5.271 ( 5.800 7.417 -1.657) 9.560 5.604 ( 9.132 -13.678 -0.995) 16.476 6.497 ( 2.846 0.280 1.404) 3.185 6.569 ( -9.053 0.086 6.065) 10.898 6.850 ( 1.689 1.238 3.047) 3.697 7.437 ( -7.099 2.221 -1.882) 7.672 7.831 ( -3.158 1.305 2.535) 4.255 9.008 ( 9.028 9.248 7.143) 14.767 12.776 ( -1.890 3.922 -11.910) 12.681 13.979 ( -2.627 10.720 1.707) 11.168 15.606 ( -2.806 8.270 -0.820) 8.772 16.874 ( -0.051 -23.912 -2.641) 24.057 17.420 ( 1.097 -0.326 1.410) 1.816======================= Grid point 582 (297/468) =======================q-point: (-0.09 -0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( -0.259 -7.668 9.462) 12.182 1.823 ( 0.963 -29.498 10.294) 31.257 2.192 ( -3.926 -6.640 7.004) 10.419 3.190 ( -2.019 2.053 15.315) 15.584 3.573 ( 4.257 -7.478 0.063) 8.605 5.259 ( 4.695 1.957 -7.544) 9.099 5.914 ( 7.602 -12.032 -3.855) 14.745 6.333 ( -15.143 3.905 5.021) 16.425 6.603 ( 4.078 -3.615 -0.318) 5.459 6.914 ( 7.859 2.473 5.127) 9.704 7.279 ( -7.103 4.874 -3.232) 9.201 7.773 ( -3.266 1.201 3.123) 4.675 8.936 ( 8.686 19.422 2.293) 21.400 12.600 ( -9.154 5.386 -9.116) 13.997 13.788 ( -0.164 12.766 3.037) 13.123 15.444 ( -3.217 7.278 -0.857) 8.003 17.230 ( -4.705 -23.937 -6.287) 25.192 17.508 ( 9.563 -5.332 4.069) 11.681======================= Grid point 592 (298/468) =======================q-point: (-0.18 -0.18 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( -2.866 0.000 12.515) 12.839 1.429 ( 4.461 -0.000 15.586) 16.212 2.084 ( -3.003 0.000 8.648) 9.154 3.253 ( -8.893 0.000 20.254) 22.120 3.375 ( 7.978 -0.000 -8.180) 11.427 5.447 ( 3.208 -0.000 -7.061) 7.756 5.586 ( 11.486 -0.000 4.027) 12.172 6.388 ( -17.330 0.000 4.690) 17.954 6.544 ( 3.990 -0.000 -1.351) 4.213 6.952 ( 9.512 -0.000 5.672) 11.075 7.350 ( -7.703 0.000 -1.407) 7.830 7.791 ( -4.285 0.000 1.172) 4.443 9.249 ( 12.299 -0.000 4.929) 13.250 12.694 ( -10.512 0.000 -12.506) 16.337 14.039 ( -1.153 0.000 4.392) 4.541 15.650 ( -2.543 0.000 -1.521) 2.963 16.656 ( -1.307 0.000 -2.388) 2.722 17.473 ( 6.294 -0.000 2.867) 6.917======================= Grid point 593 (299/468) =======================q-point: (-0.09 -0.18 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( 0.625 -18.682 12.154) 22.296 1.632 ( 10.335 -8.095 19.999) 23.922 2.094 ( -2.231 -3.566 10.017) 10.864 3.163 ( -8.770 0.429 21.971) 23.661 3.525 ( 6.701 -7.827 -6.977) 12.443 5.395 ( 4.724 7.613 -5.615) 10.574 5.823 ( 4.974 -9.617 -5.870) 12.316 6.163 ( -14.536 -0.181 5.975) 15.717 6.613 ( 4.491 -1.912 -1.712) 5.172 7.091 ( 8.741 3.071 7.205) 11.737 7.231 ( -5.477 1.037 -0.403) 5.589 7.735 ( -3.838 0.040 1.641) 4.174 9.300 ( 7.211 13.073 -2.076) 15.074 12.474 ( -14.460 2.250 -8.140) 16.746 13.977 ( 1.667 9.969 6.561) 12.050 15.528 ( -2.177 8.891 -1.229) 9.236 16.820 ( -2.351 -22.143 -3.820) 22.592 17.605 ( 10.794 -1.734 2.384) 11.190======================= Grid point 604 (300/468) =======================q-point: (-0.09 -0.09 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( 1.541 -0.000 15.018) 15.097 1.815 ( 14.144 -0.000 23.420) 27.359 2.069 ( -0.799 0.000 11.200) 11.228 3.088 ( -8.839 0.000 25.864) 27.333 3.533 ( 5.825 -0.000 -8.583) 10.373 5.494 ( 1.877 -0.000 -5.614) 5.919 5.780 ( -1.410 0.000 -11.266) 11.354 6.015 ( -5.150 0.000 10.448) 11.648 6.666 ( 5.707 -0.000 -2.274) 6.143 7.123 ( -8.376 0.000 -1.705) 8.548 7.271 ( 8.024 -0.000 10.392) 13.130 7.701 ( -0.766 0.000 2.575) 2.687 9.421 ( -3.130 0.000 -8.478) 9.037 12.275 ( -13.779 0.000 -4.865) 14.613 14.118 ( 5.074 -0.000 9.594) 10.853 15.578 ( -1.256 0.000 -1.985) 2.349 16.612 ( -1.119 0.000 -2.601) 2.831 17.751 ( 11.798 -0.000 -0.055) 11.798======================= Grid point 605 (301/468) =======================q-point: ( 0.00 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 2.094 -0.000 12.164) 12.343 2.328 ( 1.772 -0.000 7.538) 7.743 2.611 ( 2.712 -0.000 20.160) 20.342 3.416 ( 2.345 -0.000 -9.684) 9.964 3.542 ( -0.966 0.000 17.279) 17.306 5.390 ( -1.835 0.000 -9.275) 9.454 5.401 ( -0.346 0.000 -3.827) 3.842 6.171 ( 2.308 -0.000 1.664) 2.845 6.796 ( 7.759 -0.000 -1.503) 7.903 6.856 ( -8.064 0.000 -1.635) 8.229 7.511 ( -2.646 0.000 9.758) 10.110 8.054 ( 7.784 -0.000 8.548) 11.562 8.834 ( -16.537 0.000 -8.526) 18.606 11.885 ( -6.425 0.000 -4.663) 7.939 14.571 ( 6.528 -0.000 9.129) 11.223 15.555 ( 1.984 -0.000 -2.031) 2.839 16.530 ( -0.405 0.000 -2.064) 2.104 17.894 ( 3.942 -0.000 -4.851) 6.251======================= Grid point 606 (302/468) =======================q-point: ( 0.09 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( 1.296 -18.428 9.691) 20.861 2.360 ( 3.318 2.280 6.859) 7.953 2.676 ( -2.463 -3.415 19.799) 20.241 3.464 ( 0.092 -6.284 -8.184) 10.319 3.546 ( -1.839 1.653 10.718) 11.000 5.280 ( -1.383 6.830 -5.329) 8.773 5.453 ( 2.778 -4.363 -6.277) 8.134 6.220 ( 3.341 -0.195 0.643) 3.408 6.739 ( -6.692 1.066 -0.738) 6.816 6.903 ( 8.104 0.055 -1.586) 8.258 7.509 ( -2.552 -0.691 12.388) 12.667 8.137 ( 2.206 0.361 6.788) 7.147 8.526 ( -17.185 7.362 -5.860) 19.592 11.836 ( -0.922 -1.754 -3.247) 3.804 14.517 ( 4.755 18.923 5.737) 20.337 15.557 ( 1.943 2.109 -2.398) 3.738 16.685 ( 0.207 -19.845 -0.835) 19.864 17.916 ( 0.714 -0.229 -6.193) 6.238======================= Grid point 607 (303/468) =======================q-point: ( 0.18 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.064 ( 0.361 -25.182 6.475) 26.003 2.377 ( 4.187 4.463 5.580) 8.282 2.726 ( -4.260 -4.424 18.633) 19.619 3.455 ( -4.949 5.849 5.920) 9.682 3.564 ( -2.932 -10.860 -8.407) 14.043 5.169 ( 0.808 5.722 -7.260) 9.279 5.567 ( 5.590 -5.020 -5.720) 9.443 6.251 ( 2.800 2.453 1.074) 3.875 6.669 ( -3.811 -1.822 0.987) 4.338 6.999 ( 7.359 0.847 -1.793) 7.621 7.473 ( -4.090 5.351 15.443) 16.848 8.106 ( -2.392 7.676 3.131) 8.628 8.212 ( -15.034 -0.706 -4.421) 15.686 11.899 ( 4.669 -3.784 -1.497) 6.193 14.247 ( 2.978 24.831 2.299) 25.114 15.539 ( 0.336 2.012 -2.985) 3.615 17.025 ( 1.515 -23.530 2.056) 23.668 17.897 ( -2.637 -1.049 -7.808) 8.308======================= Grid point 608 (304/468) =======================q-point: ( 0.27 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.353 ( 1.984 3.684 1.581) 4.473 2.433 ( 1.241 -19.539 4.144) 20.013 2.763 ( -3.959 -3.427 18.088) 18.830 3.265 ( -8.001 8.208 0.376) 11.469 3.665 ( -4.096 -11.056 -3.999) 12.450 5.112 ( 3.018 3.196 -12.441) 13.195 5.720 ( 6.956 -5.724 -4.352) 10.005 6.230 ( 2.283 5.315 2.153) 6.172 6.693 ( -1.698 -5.700 1.923) 6.251 7.065 ( 5.831 2.224 -1.270) 6.368 7.266 ( -7.362 15.481 13.281) 21.685 7.956 ( -1.623 5.402 -0.021) 5.641 8.100 ( -13.772 -7.522 -1.355) 15.751 12.048 ( 7.808 -4.670 -0.594) 9.117 13.937 ( 1.661 22.044 0.103) 22.106 15.494 ( -1.890 1.857 -3.320) 4.248 17.364 ( 3.544 -16.291 5.668) 17.609 17.856 ( -5.650 -4.409 -10.063) 12.354======================= Grid point 609 (305/468) =======================q-point: ( 0.36 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.265 ( -1.159 8.731 -3.031) 9.314 2.702 ( -0.048 -14.227 1.890) 14.352 2.801 ( -2.049 -2.760 16.257) 16.616 3.042 ( -5.699 8.070 1.084) 9.939 3.744 ( -4.480 -8.355 -0.346) 9.487 5.096 ( 3.864 1.834 -18.349) 18.841 5.904 ( 6.950 -7.722 -2.110) 10.601 6.183 ( 3.191 6.632 3.230) 8.037 6.769 ( -2.955 -8.019 0.216) 8.549 6.935 ( -6.786 16.346 10.576) 20.618 7.105 ( 3.716 2.844 -2.345) 5.234 7.872 ( -3.717 2.689 0.850) 4.666 8.051 ( -9.571 -8.596 -0.464) 12.873 12.218 ( 7.351 -4.086 -0.844) 8.453 13.678 ( 0.811 15.710 -0.855) 15.754 15.426 ( -3.532 1.258 -2.832) 4.698 17.555 ( 2.473 -1.387 5.126) 5.858 17.874 ( -4.531 -11.818 -8.694) 15.356======================= Grid point 610 (306/468) =======================q-point: (-0.55 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( -5.325 10.591 -4.012) 12.515 2.772 ( -6.370 3.247 0.784) 7.193 2.820 ( -1.024 -3.308 2.549) 4.300 3.012 ( 7.786 -1.024 14.516) 16.504 3.779 ( -4.438 -4.838 1.734) 6.790 5.076 ( 3.537 2.507 -22.284) 22.702 6.101 ( -0.356 -8.500 -2.625) 8.903 6.171 ( 10.287 3.507 6.797) 12.819 6.646 ( -9.709 8.093 2.298) 12.847 6.842 ( -2.460 -5.132 1.053) 5.788 7.102 ( 2.874 3.165 -0.541) 4.309 7.793 ( -4.696 -0.488 0.456) 4.743 8.074 ( -4.220 -7.075 0.657) 8.264 12.345 ( 3.901 -2.925 -1.782) 5.191 13.514 ( 0.521 7.970 -0.747) 8.022 15.359 ( -3.914 0.129 -1.530) 4.205 17.536 ( -1.959 2.437 -0.842) 3.238 17.987 ( 0.762 -6.329 -2.462) 6.834======================= Grid point 611 (307/468) =======================q-point: (-0.45 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( -3.653 8.995 -0.330) 9.714 2.630 ( -4.921 5.177 2.448) 7.550 2.803 ( -0.055 5.604 3.005) 6.359 3.207 ( 11.393 -2.041 12.451) 17.000 3.777 ( -3.823 -2.284 2.903) 5.316 5.028 ( 2.822 3.461 -22.749) 23.183 6.102 ( -0.494 2.395 -2.738) 3.671 6.347 ( -5.093 -6.546 8.837) 12.119 6.491 ( 2.169 -2.330 -2.487) 4.039 6.852 ( -3.566 -1.832 -1.539) 4.295 7.112 ( 3.538 0.974 2.412) 4.392 7.777 ( -2.041 -3.115 1.531) 4.026 8.143 ( -0.948 -8.018 -0.733) 8.107 12.397 ( -0.971 -2.242 -2.812) 3.725 13.463 ( 0.607 0.062 0.142) 0.627 15.317 ( -3.123 -1.257 0.083) 3.368 17.467 ( -2.925 1.614 -2.593) 4.229 18.028 ( 3.296 4.464 -0.676) 5.590======================= Grid point 612 (308/468) =======================q-point: (-0.36 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.746 ( 2.977 4.807 6.376) 8.522 2.507 ( -3.405 5.267 5.416) 8.287 2.671 ( 1.638 14.915 5.433) 15.958 3.390 ( 9.583 0.601 9.116) 13.240 3.761 ( -1.533 0.205 2.858) 3.250 4.983 ( 2.854 1.087 -19.153) 19.395 5.980 ( -8.815 4.160 -7.197) 12.116 6.313 ( -6.147 -4.587 4.481) 8.882 6.668 ( 5.148 -4.539 -0.054) 6.864 6.821 ( -3.401 -3.471 -0.219) 4.865 7.194 ( 7.912 -0.756 5.958) 9.933 7.807 ( -1.788 -2.778 3.098) 4.529 8.304 ( 2.314 -14.595 -4.377) 15.412 12.376 ( -5.618 -2.125 -3.612) 7.009 13.528 ( 0.867 -7.269 1.765) 7.531 15.313 ( -1.754 -2.553 1.307) 3.362 17.402 ( -2.554 2.004 -2.156) 3.897 17.949 ( 5.029 13.467 -1.046) 14.413======================= Grid point 613 (309/468) =======================q-point: (-0.27 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 8.524 2.555 11.826) 14.800 2.363 ( -3.336 12.447 5.424) 13.981 2.507 ( 5.611 13.298 11.883) 18.695 3.472 ( 3.999 2.731 7.752) 9.140 3.723 ( 0.942 5.872 0.400) 5.960 5.030 ( 4.554 -5.555 -12.567) 14.475 5.764 ( -12.087 2.389 -9.448) 15.526 6.310 ( -2.959 -0.951 3.243) 4.492 6.680 ( 2.233 4.509 -2.031) 5.426 6.897 ( -4.855 -10.549 0.786) 11.639 7.368 ( 13.021 -0.490 10.074) 16.471 7.802 ( -2.648 0.018 3.348) 4.268 8.593 ( 1.917 -21.531 -8.280) 23.147 12.294 ( -9.090 -1.671 -4.193) 10.149 13.703 ( 1.762 -13.859 4.323) 14.624 15.347 ( -0.219 -3.647 1.685) 4.024 17.296 ( -2.634 9.322 -1.142) 9.754 17.818 ( 7.174 13.523 -2.128) 15.455======================= Grid point 614 (310/468) =======================q-point: (-0.18 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( 5.726 16.752 11.831) 21.293 2.200 ( 1.204 3.466 9.293) 9.991 2.480 ( 7.892 8.437 15.598) 19.410 3.474 ( 1.652 3.636 5.703) 6.962 3.620 ( -0.227 8.267 1.651) 8.433 5.196 ( 5.367 -9.407 -7.371) 13.101 5.570 ( -9.752 0.590 -10.511) 14.350 6.257 ( -2.850 3.403 3.253) 5.503 6.664 ( 4.304 2.732 -2.021) 5.484 6.952 ( -6.687 -7.909 -0.099) 10.358 7.543 ( 7.761 1.819 10.910) 13.512 7.786 ( 2.796 0.587 4.472) 5.307 8.874 ( -3.980 -20.031 -11.192) 23.288 12.165 ( -10.720 -0.533 -4.656) 11.700 13.988 ( 3.809 -18.421 7.393) 20.211 15.416 ( 1.124 -4.447 0.990) 4.692 17.036 ( -2.081 20.833 -1.118) 20.966 17.784 ( 7.813 5.234 -2.779) 9.806======================= Grid point 615 (311/468) =======================q-point: (-0.09 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( 2.592 18.443 12.013) 22.162 2.270 ( 1.387 -3.212 9.233) 9.873 2.528 ( 8.402 5.269 18.765) 21.224 3.439 ( 3.585 5.734 -6.207) 9.179 3.537 ( -2.685 1.670 14.998) 15.327 5.357 ( 1.396 -6.213 -4.594) 7.852 5.452 ( -4.110 -0.414 -11.035) 11.783 6.179 ( -0.969 3.316 3.189) 4.702 6.708 ( 6.376 0.950 -1.790) 6.691 6.940 ( -7.712 -4.059 -1.053) 8.778 7.547 ( -1.906 2.680 8.418) 9.037 7.906 ( 10.490 -0.115 8.462) 13.478 8.973 ( -11.641 -10.954 -11.296) 19.573 12.013 ( -9.892 0.378 -4.991) 11.086 14.333 ( 6.098 -15.856 9.542) 19.485 15.500 ( 1.743 -3.991 -0.665) 4.405 16.702 ( -1.051 19.477 -1.676) 19.577 17.836 ( 6.495 1.085 -3.619) 7.514======================= Grid point 617 (312/468) =======================q-point: ( 0.09 0.09 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( 0.082 -0.000 8.863) 8.863 2.442 ( 4.602 -0.000 5.254) 6.985 2.650 ( -3.435 0.000 20.746) 21.029 3.383 ( -1.949 0.000 -9.626) 9.821 3.545 ( -4.266 0.000 6.444) 7.728 5.351 ( -1.808 0.000 -4.078) 4.461 5.389 ( 2.993 -0.000 -3.108) 4.315 6.293 ( 6.485 -0.000 0.083) 6.486 6.645 ( -7.018 0.000 -1.383) 7.153 7.020 ( 8.844 -0.000 -1.007) 8.902 7.510 ( -0.773 0.000 14.644) 14.665 8.115 ( -7.958 0.000 1.793) 8.158 8.355 ( -13.631 0.000 0.492) 13.639 11.841 ( 4.276 -0.000 -0.694) 4.332 14.741 ( 3.862 -0.000 4.137) 5.660 15.582 ( 0.212 -0.000 -3.945) 3.951 16.524 ( 0.587 -0.000 -1.666) 1.766 17.895 ( -1.983 0.000 -6.209) 6.518======================= Grid point 618 (313/468) =======================q-point: ( 0.18 0.09 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -1.061 -18.290 6.147) 19.325 2.500 ( 4.857 2.726 4.347) 7.065 2.670 ( -2.135 -2.383 18.106) 18.387 3.369 ( -4.674 -5.900 -9.284) 11.952 3.447 ( -7.225 2.787 1.988) 7.995 5.255 ( 0.254 6.016 -4.860) 7.738 5.507 ( 2.365 -7.633 -1.509) 8.133 6.370 ( 7.175 3.358 1.246) 8.019 6.571 ( -5.059 -2.563 -0.884) 5.740 7.125 ( 8.422 1.651 -0.849) 8.625 7.523 ( -1.791 2.310 17.202) 17.449 7.940 ( -17.383 -2.553 -3.098) 17.840 8.184 ( -5.320 6.783 3.877) 9.453 11.946 ( 8.533 -2.003 1.578) 8.906 14.627 ( 2.234 20.207 1.015) 20.355 15.549 ( -1.649 1.763 -4.195) 4.840 16.705 ( 1.416 -21.260 -0.554) 21.315 17.835 ( -4.330 0.552 -6.348) 7.704======================= Grid point 619 (314/468) =======================q-point: ( 0.27 0.09 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.058 ( -2.286 -24.779 2.654) 25.025 2.501 ( 2.860 5.280 1.472) 6.183 2.723 ( -0.836 -2.727 14.313) 14.594 3.237 ( -9.680 4.794 -2.197) 11.024 3.447 ( -3.640 -9.974 -3.587) 11.207 5.184 ( 2.154 4.215 -8.895) 10.076 5.652 ( 1.781 -8.798 -0.375) 8.984 6.383 ( 4.577 5.657 2.864) 7.820 6.588 ( -0.677 -4.254 -0.097) 4.309 7.193 ( 7.006 3.305 -0.995) 7.809 7.373 ( -11.981 10.611 14.550) 21.630 7.820 ( -8.592 -6.686 0.382) 10.893 8.026 ( -2.961 7.513 1.904) 8.297 12.115 ( 9.783 -2.775 2.248) 10.415 14.304 ( 0.953 25.491 -1.252) 25.539 15.478 ( -3.298 2.105 -3.553) 5.285 17.093 ( 2.689 -26.566 0.992) 26.720 17.740 ( -6.019 0.908 -6.580) 8.964======================= Grid point 620 (315/468) =======================q-point: ( 0.36 0.09 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.271 ( -6.829 -5.075 -5.065) 9.902 2.508 ( 1.506 -8.929 2.103) 9.296 2.764 ( -2.689 -1.966 7.270) 7.997 3.076 ( -2.292 3.785 5.348) 6.941 3.548 ( -3.347 -10.468 -1.337) 11.071 5.150 ( 3.547 2.864 -14.609) 15.304 5.805 ( 0.890 -9.854 0.499) 9.907 6.369 ( 4.592 5.624 4.433) 8.506 6.635 ( -1.235 -2.718 0.740) 3.076 7.023 ( -16.059 10.900 6.605) 20.502 7.226 ( 6.127 5.161 1.112) 8.088 7.804 ( -4.591 -0.185 2.685) 5.321 7.948 ( 0.726 0.067 1.790) 1.932 12.275 ( 7.442 -1.917 1.245) 7.785 13.958 ( 0.184 22.143 -2.067) 22.240 15.393 ( -3.810 1.961 -2.013) 4.735 17.502 ( 4.636 -21.301 3.005) 22.005 17.628 ( -7.440 -0.884 -7.688) 10.735======================= Grid point 621 (316/468) =======================q-point: ( 0.45 0.09 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.099 ( -8.131 7.079 -6.646) 12.665 2.671 ( -6.655 -7.030 2.681) 10.045 2.751 ( 0.830 -4.143 0.255) 4.233 3.130 ( 8.033 -1.974 12.609) 15.080 3.632 ( -3.623 -7.597 0.492) 8.432 5.127 ( 4.111 2.998 -19.978) 20.616 5.954 ( -0.459 -9.650 0.811) 9.695 6.370 ( 5.252 4.661 6.561) 9.610 6.543 ( -13.216 6.261 2.404) 14.821 6.773 ( -6.537 -1.688 -0.406) 6.763 7.230 ( 5.798 5.677 1.416) 8.237 7.750 ( -0.517 1.897 1.450) 2.443 8.006 ( 2.381 -2.883 3.216) 4.932 12.362 ( 2.640 -0.340 -0.535) 2.715 13.683 ( -0.100 15.240 -1.856) 15.353 15.320 ( -2.956 1.285 0.062) 3.224 17.513 ( -5.167 1.375 -4.427) 6.942 17.847 ( 3.646 -16.311 0.374) 16.718======================= Grid point 622 (317/468) =======================q-point: (-0.45 0.09 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.903 ( -3.930 5.763 -2.285) 7.339 2.603 ( -5.836 0.644 2.936) 6.564 2.846 ( 1.834 -1.972 2.519) 3.687 3.344 ( 11.187 -4.285 11.923) 16.902 3.670 ( -4.213 -5.131 1.672) 6.846 5.087 ( 3.981 4.304 -23.319) 24.044 6.021 ( -6.775 -2.381 -0.493) 7.199 6.272 ( -10.595 2.316 0.575) 10.860 6.427 ( 2.375 -3.771 5.420) 7.017 6.775 ( -2.289 -4.070 -1.085) 4.794 7.240 ( 6.352 4.238 2.731) 8.110 7.750 ( 2.089 0.504 1.999) 2.935 8.096 ( 4.431 -2.670 2.192) 5.618 12.356 ( -2.413 0.713 -2.064) 3.255 13.518 ( -0.091 7.053 -1.109) 7.140 15.281 ( -1.315 0.270 1.903) 2.329 17.431 ( -3.779 0.465 -2.969) 4.828 18.064 ( 4.052 -6.254 -0.504) 7.469======================= Grid point 623 (318/468) =======================q-point: (-0.36 0.09 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.844 ( 2.887 1.598 4.089) 5.254 2.533 ( -2.448 2.380 5.526) 6.495 2.854 ( 2.133 5.517 5.011) 7.752 3.528 ( 5.144 0.922 11.781) 12.888 3.716 ( 1.051 -6.299 1.792) 6.633 5.026 ( 3.893 4.146 -23.414) 24.095 5.820 ( -15.606 2.523 -5.413) 16.710 6.242 ( -0.489 -3.541 -0.038) 3.575 6.552 ( -0.954 -9.711 5.290) 11.099 6.789 ( -0.548 -0.397 -1.084) 1.277 7.312 ( 6.621 -1.396 4.686) 8.231 7.782 ( 1.870 0.080 3.153) 3.667 8.221 ( 6.629 -4.294 -0.780) 7.937 12.280 ( -5.923 0.896 -3.029) 6.713 13.475 ( 0.142 -1.211 0.098) 1.224 15.284 ( 0.461 -0.821 2.931) 3.079 17.385 ( -1.885 0.233 -0.576) 1.984 18.132 ( 4.014 3.764 -2.432) 6.017======================= Grid point 624 (319/468) =======================q-point: (-0.27 0.09 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 6.603 -1.816 8.397) 10.836 2.478 ( 0.362 6.551 7.051) 9.631 2.781 ( 3.467 10.600 9.214) 14.466 3.526 ( -3.333 1.571 12.580) 13.108 3.828 ( 5.547 1.300 -0.271) 5.703 5.014 ( 5.140 -1.259 -19.259) 19.972 5.583 ( -12.653 0.908 -8.688) 15.376 6.286 ( -0.107 -1.997 -0.044) 2.001 6.676 ( -2.773 -9.055 4.028) 10.291 6.773 ( 1.257 2.159 -0.667) 2.586 7.466 ( 3.576 -7.127 6.557) 10.324 7.807 ( 2.457 0.928 4.372) 5.100 8.390 ( 4.983 -8.439 -5.097) 11.046 12.167 ( -7.465 0.987 -3.805) 8.436 13.559 ( 0.988 -9.331 2.022) 9.599 15.327 ( 2.124 -1.834 2.987) 4.099 17.354 ( -0.782 2.729 1.769) 3.344 18.071 ( 4.205 10.556 -4.817) 12.341======================= Grid point 625 (320/468) =======================q-point: (-0.18 0.09 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( 6.588 -0.459 9.909) 11.908 2.335 ( -0.155 15.105 6.469) 16.432 2.729 ( 5.152 7.877 14.436) 17.233 3.485 ( -4.557 -0.278 14.955) 15.637 3.790 ( 2.795 10.198 -5.576) 11.954 5.123 ( 4.574 -7.376 -12.427) 15.158 5.434 ( -5.248 -0.491 -10.101) 11.393 6.278 ( -1.445 1.699 0.736) 2.349 6.733 ( -0.085 -2.067 0.117) 2.072 6.794 ( 0.503 -2.538 1.591) 3.038 7.570 ( -3.851 -4.149 7.671) 9.534 7.884 ( 7.364 -1.652 6.549) 9.992 8.548 ( -2.435 -11.880 -8.803) 14.985 12.039 ( -7.178 1.590 -4.526) 8.633 13.781 ( 2.645 -17.187 4.295) 17.912 15.402 ( 3.254 -2.539 1.970) 4.574 17.254 ( -0.738 11.723 2.633) 12.038 17.965 ( 4.431 9.093 -6.502) 12.024======================= Grid point 626 (321/468) =======================q-point: (-0.09 0.09 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 2.971 23.857 9.401) 25.814 2.263 ( 1.960 -3.268 7.660) 8.556 2.716 ( 1.772 5.948 17.320) 18.398 3.486 ( -2.080 -1.822 14.234) 14.500 3.634 ( 0.623 11.134 -7.523) 13.451 5.227 ( -2.321 -7.047 -7.545) 10.582 5.431 ( 4.797 -0.802 -9.643) 10.800 6.224 ( -0.637 2.786 1.459) 3.209 6.768 ( -1.841 -3.530 0.649) 4.034 6.829 ( 3.255 0.614 -1.340) 3.573 7.545 ( -4.740 0.101 9.665) 10.765 8.037 ( 6.724 -2.424 7.986) 10.718 8.605 ( -11.682 -11.533 -9.286) 18.860 11.917 ( -5.010 2.190 -4.603) 7.147 14.130 ( 4.267 -22.412 5.722) 23.522 15.488 ( 3.214 -2.684 -0.041) 4.187 17.002 ( -0.367 21.604 1.100) 21.635 17.921 ( 3.184 2.997 -6.442) 7.786======================= Grid point 629 (322/468) =======================q-point: ( 0.18 0.18 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.592 ( -2.287 0.000 5.015) 5.511 2.601 ( 5.262 -0.000 2.484) 5.818 2.661 ( -1.878 0.000 13.368) 13.499 3.238 ( -5.602 0.000 -9.017) 10.616 3.354 ( -8.785 0.000 0.869) 8.828 5.285 ( -1.484 0.000 -5.303) 5.506 5.481 ( 3.432 -0.000 1.561) 3.771 6.468 ( -5.632 0.000 -0.687) 5.674 6.526 ( 9.864 -0.000 2.959) 10.298 7.254 ( 8.484 -0.000 -0.411) 8.494 7.511 ( -12.884 0.000 13.047) 18.336 7.708 ( -7.137 0.000 0.566) 7.160 8.175 ( -4.719 0.000 5.982) 7.619 12.073 ( 10.925 -0.000 3.861) 11.587 14.808 ( 0.492 -0.000 -1.371) 1.456 15.528 ( -2.565 0.000 -3.754) 4.547 16.547 ( 1.483 -0.000 -1.230) 1.927 17.761 ( -5.491 0.000 -5.587) 7.833======================= Grid point 630 (323/468) =======================q-point: ( 0.27 0.18 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( -3.113 -18.055 2.539) 18.496 2.583 ( -3.277 4.351 -0.224) 5.451 2.696 ( -0.129 -2.685 3.628) 4.515 3.148 ( -6.507 0.010 -4.894) 8.142 3.295 ( -2.531 -4.320 3.665) 6.205 5.236 ( 0.219 2.541 -7.304) 7.736 5.573 ( 2.589 -5.308 2.467) 6.400 6.404 ( -4.244 -0.901 0.070) 4.339 6.651 ( 8.177 1.605 4.056) 9.268 7.233 ( -20.307 3.621 5.112) 21.251 7.349 ( 6.405 2.262 0.897) 6.851 7.745 ( 3.789 -1.988 8.608) 9.613 8.088 ( -3.435 5.366 5.232) 8.245 12.237 ( 10.359 -0.685 4.184) 11.193 14.641 ( -0.891 19.555 -3.591) 19.902 15.461 ( -2.963 2.642 -2.080) 4.482 16.749 ( 1.863 -22.513 -1.013) 22.612 17.666 ( -5.686 0.964 -4.844) 7.531======================= Grid point 631 (324/468) =======================q-point: ( 0.36 0.18 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( -5.056 -20.787 -1.803) 21.469 2.438 ( -8.438 1.018 -4.962) 9.842 2.708 ( -2.564 -1.393 -0.701) 3.001 3.102 ( 0.435 -1.036 3.426) 3.606 3.387 ( 0.412 -7.438 4.458) 8.681 5.199 ( 2.022 2.039 -11.648) 11.997 5.700 ( 2.122 -7.029 3.370) 8.078 6.375 ( -3.897 -2.078 0.198) 4.421 6.691 ( -1.891 0.687 -0.136) 2.017 6.914 ( -13.185 9.441 11.816) 20.065 7.390 ( 6.651 4.782 0.451) 8.204 7.844 ( 5.594 1.516 9.051) 10.747 7.987 ( -0.283 3.621 2.361) 4.332 12.366 ( 6.599 0.401 2.658) 7.126 14.287 ( -1.368 24.304 -4.232) 24.708 15.380 ( -2.424 2.839 0.211) 3.739 17.146 ( 0.672 -27.665 -2.321) 27.771 17.574 ( -3.534 0.890 -2.750) 4.565======================= Grid point 632 (325/468) =======================q-point: ( 0.45 0.18 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.012 ( -8.142 -1.392 -8.184) 11.628 2.427 ( -7.058 -13.076 -0.166) 14.860 2.707 ( -0.457 -3.700 -0.587) 3.774 3.200 ( 5.637 -4.984 5.737) 9.462 3.499 ( -0.579 -6.062 5.238) 8.032 5.179 ( 3.193 2.039 -16.623) 17.049 5.840 ( 1.685 -7.361 4.238) 8.660 6.299 ( -12.741 0.080 -3.966) 13.344 6.574 ( -11.269 -2.393 1.901) 11.676 6.727 ( 3.706 12.426 13.318) 18.588 7.398 ( 5.924 5.904 0.284) 8.369 7.844 ( 3.089 5.497 4.334) 7.652 8.048 ( 7.659 -1.241 4.692) 9.067 12.403 ( 1.233 2.235 0.424) 2.587 13.930 ( -1.459 20.691 -3.795) 21.087 15.322 ( -0.840 2.446 2.424) 3.545 17.387 ( -6.278 -8.053 -5.530) 11.612 17.663 ( 4.914 -15.559 1.315) 16.370======================= Grid point 633 (326/468) =======================q-point: (-0.45 0.18 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( -2.867 1.779 -4.422) 5.562 2.485 ( -5.880 -7.255 1.288) 9.427 2.811 ( 1.824 -6.986 1.847) 7.453 3.407 ( 7.743 -9.222 4.460) 12.841 3.555 ( -2.703 -3.043 7.087) 8.173 5.151 ( 3.670 3.280 -20.764) 21.339 5.906 ( -9.021 0.672 3.501) 9.700 6.090 ( -8.751 -4.372 -6.056) 11.505 6.515 ( 0.222 4.726 11.438) 12.378 6.683 ( -0.546 -1.815 2.321) 2.997 7.385 ( 4.432 5.543 0.240) 7.101 7.834 ( 3.131 3.031 3.501) 5.590 8.195 ( 11.527 0.701 4.674) 12.458 12.345 ( -3.171 3.395 -1.396) 4.851 13.655 ( -1.310 13.623 -2.878) 13.986 15.299 ( 0.911 1.760 3.813) 4.297 17.364 ( -3.764 -2.053 -1.934) 4.703 17.964 ( 4.071 -14.530 -1.258) 15.142======================= Grid point 634 (327/468) =======================q-point: (-0.36 0.18 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( 2.611 -0.753 0.905) 2.864 2.518 ( -0.866 -3.528 4.546) 5.819 2.911 ( 1.506 -2.184 4.245) 5.006 3.536 ( -6.835 -2.688 6.216) 9.622 3.677 ( 9.492 -8.314 6.511) 14.199 5.098 ( 3.730 4.689 -23.132) 23.896 5.656 ( -14.218 4.160 -4.438) 15.464 6.150 ( -0.500 -6.959 -1.586) 7.155 6.497 ( 0.470 0.524 11.123) 11.146 6.744 ( 0.331 -5.068 -0.115) 5.080 7.367 ( 1.792 2.591 0.083) 3.152 7.845 ( 2.250 1.691 3.803) 4.731 8.348 ( 12.508 2.349 3.387) 13.169 12.232 ( -5.026 3.502 -2.632) 6.667 13.498 ( -0.850 5.314 -1.677) 5.636 15.311 ( 2.366 0.749 4.151) 4.836 17.355 ( -1.279 -1.539 1.299) 2.386 18.156 ( 2.862 -5.972 -3.661) 7.567======================= Grid point 635 (328/468) =======================q-point: (-0.27 0.18 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( 4.116 -3.342 3.897) 6.580 2.578 ( 3.748 0.541 7.540) 8.438 2.927 ( 0.736 3.540 7.637) 8.450 3.473 ( -8.412 -1.352 9.413) 12.696 3.893 ( 5.934 -3.676 4.260) 8.178 5.048 ( 4.611 2.361 -23.278) 23.847 5.449 ( -7.269 1.906 -7.677) 10.742 6.224 ( -1.086 -4.923 -1.391) 5.230 6.562 ( 0.065 -5.334 10.488) 11.766 6.809 ( 2.255 -1.312 -0.812) 2.732 7.368 ( -2.577 -3.539 -0.179) 4.382 7.862 ( 1.619 0.398 3.811) 4.160 8.463 ( 9.014 3.144 1.301) 9.635 12.110 ( -4.439 3.372 -3.647) 6.661 13.476 ( 0.113 -3.378 -0.097) 3.382 15.357 ( 3.394 -0.479 3.467) 4.875 17.371 ( 0.246 -0.459 3.939) 3.974 18.198 ( 1.804 2.834 -6.143) 7.002======================= Grid point 636 (329/468) =======================q-point: (-0.18 0.18 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.099 ( 3.845 -4.875 5.158) 8.072 2.579 ( 3.618 10.709 7.473) 13.550 2.882 ( -0.283 5.054 12.647) 13.622 3.408 ( -7.672 -2.992 10.994) 13.736 3.925 ( 0.624 5.773 -0.740) 5.854 5.070 ( 3.449 -2.481 -19.138) 19.603 5.393 ( 3.191 -0.940 -8.638) 9.256 6.250 ( -2.191 -1.999 -0.605) 3.027 6.661 ( -0.139 -4.395 9.533) 10.498 6.852 ( 4.493 0.591 -1.440) 4.755 7.391 ( -7.397 -8.596 2.058) 11.526 7.906 ( 1.352 -3.156 2.791) 4.424 8.492 ( 1.600 3.328 -0.997) 3.825 12.004 ( -2.278 3.752 -4.281) 6.132 13.601 ( 1.508 -12.247 1.596) 12.442 15.425 ( 3.532 -1.523 1.733) 4.219 17.371 ( 0.878 3.799 5.605) 6.828 18.115 ( 0.775 8.165 -8.498) 11.810======================= Grid point 637 (330/468) =======================q-point: (-0.09 0.18 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.236 ( 4.143 -4.774 5.869) 8.626 2.388 ( 1.211 21.050 6.628) 22.102 2.818 ( -3.371 5.114 16.715) 17.802 3.412 ( -4.681 -5.779 9.770) 12.279 3.777 ( -1.951 11.100 -6.038) 12.786 5.109 ( 0.507 -4.145 -12.200) 12.895 5.498 ( 9.485 -1.138 -8.696) 12.918 6.231 ( -1.789 -0.083 0.823) 1.971 6.705 ( -1.165 -0.707 5.757) 5.916 6.913 ( 5.937 0.439 -2.360) 6.404 7.424 ( -7.745 -8.846 9.343) 15.018 7.999 ( -0.442 -7.892 1.485) 8.043 8.404 ( -7.155 2.999 -2.766) 8.237 11.927 ( 0.840 4.252 -3.719) 5.711 13.871 ( 2.694 -20.344 2.558) 20.680 15.494 ( 2.395 -2.026 -0.706) 3.215 17.276 ( 1.254 13.930 5.127) 14.897 17.986 ( -0.722 6.105 -9.346) 11.186======================= Grid point 641 (331/468) =======================q-point: ( 0.27 0.27 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( -3.406 0.000 1.855) 3.878 2.482 ( -12.787 0.000 -7.376) 14.762 2.679 ( -1.611 0.000 -2.425) 2.911 3.065 ( -2.796 0.000 -6.284) 6.878 3.289 ( 3.146 -0.000 12.204) 12.603 5.234 ( -0.465 0.000 -6.994) 7.010 5.591 ( 4.372 -0.000 3.342) 5.503 6.337 ( -3.905 0.000 0.289) 3.915 6.697 ( -8.578 0.000 -2.256) 8.869 7.056 ( -6.313 0.000 13.756) 15.136 7.467 ( 7.099 -0.000 0.197) 7.102 7.838 ( 8.556 -0.000 9.324) 12.654 8.093 ( -3.465 0.000 6.838) 7.665 12.373 ( 8.388 -0.000 4.236) 9.397 14.752 ( -3.313 0.000 -6.073) 6.918 15.459 ( -1.219 0.000 0.335) 1.264 16.591 ( 1.975 -0.000 -0.911) 2.175 17.591 ( -4.919 0.000 -4.024) 6.356======================= Grid point 642 (332/468) =======================q-point: ( 0.36 0.27 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( -3.409 -16.655 -0.200) 17.001 2.278 ( -12.500 0.234 -10.065) 16.050 2.624 ( -6.377 -2.109 -4.868) 8.295 3.068 ( 1.169 -3.129 -3.094) 4.553 3.387 ( 4.630 -1.544 12.617) 13.528 5.212 ( 0.530 0.457 -9.053) 9.080 5.687 ( 5.100 -2.838 4.098) 7.132 6.295 ( -4.695 -0.291 0.036) 4.705 6.468 ( -19.749 -2.107 -4.770) 20.426 7.065 ( 4.481 6.528 19.833) 21.355 7.536 ( 6.179 2.910 0.314) 6.838 7.996 ( 9.067 1.721 10.215) 13.767 8.038 ( 1.007 2.239 3.654) 4.403 12.459 ( 3.929 1.223 2.597) 4.866 14.552 ( -3.901 16.983 -6.879) 18.734 15.419 ( 0.265 4.099 2.900) 5.028 16.787 ( 1.208 -21.136 -1.527) 21.225 17.529 ( -2.750 -0.295 -2.679) 3.850======================= Grid point 643 (333/468) =======================q-point: ( 0.45 0.27 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( -2.975 -13.731 -4.522) 14.759 2.155 ( -8.230 -7.349 -5.581) 12.365 2.594 ( -4.929 -6.947 -3.860) 9.351 3.161 ( 2.460 -6.703 -1.885) 7.384 3.486 ( 2.642 -1.488 12.146) 12.519 5.200 ( 1.675 0.421 -12.570) 12.688 5.814 ( 4.534 -3.677 5.647) 8.122 6.092 ( -18.415 2.032 -6.079) 19.499 6.386 ( -4.220 -6.830 0.478) 8.043 7.010 ( 2.480 13.667 20.514) 24.774 7.555 ( 5.086 5.152 0.118) 7.241 7.943 ( -0.655 4.434 4.115) 6.085 8.218 ( 15.642 0.661 6.899) 17.109 12.449 ( -1.050 3.231 0.417) 3.423 14.198 ( -3.494 21.556 -6.180) 22.695 15.381 ( 1.746 3.977 4.646) 6.360 17.105 ( -2.024 -20.159 -2.480) 20.411 17.554 ( 1.814 -6.799 -0.984) 7.105======================= Grid point 644 (334/468) =======================q-point: (-0.45 0.27 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( 0.488 -1.533 -5.158) 5.403 2.245 ( -4.846 -15.189 -1.049) 15.978 2.688 ( -1.057 -11.632 -0.735) 11.703 3.302 ( -0.040 -9.649 -1.756) 9.808 3.558 ( 2.358 -1.607 12.665) 12.983 5.189 ( 2.462 1.256 -16.191) 16.426 5.766 ( -16.495 2.750 -0.422) 16.728 5.970 ( 2.779 -4.488 -1.409) 5.464 6.467 ( -0.368 -7.688 1.650) 7.871 6.846 ( 0.527 15.714 17.194) 23.299 7.527 ( 3.392 6.628 -0.323) 7.452 7.902 ( 0.462 2.354 3.176) 3.980 8.428 ( 16.241 2.622 6.365) 17.640 12.353 ( -3.956 4.488 -1.355) 6.134 13.852 ( -2.823 18.236 -4.803) 19.068 15.370 ( 2.810 3.296 5.096) 6.689 17.254 ( -2.605 -7.530 0.080) 7.968 17.778 ( 3.486 -16.647 -2.486) 17.189======================= Grid point 645 (335/468) =======================q-point: (-0.36 0.27 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 2.463 -1.469 -2.142) 3.580 2.413 ( 0.650 -11.875 2.584) 12.170 2.847 ( 0.192 -9.546 1.837) 9.723 3.363 ( -8.607 -6.199 3.480) 11.163 3.702 ( 6.845 -6.637 8.724) 12.923 5.156 ( 2.468 3.163 -19.085) 19.502 5.526 ( -10.947 2.432 -4.558) 12.105 6.068 ( 1.542 -4.444 0.422) 4.723 6.570 ( 2.122 -0.746 6.775) 7.138 6.709 ( 0.326 3.787 8.027) 8.882 7.458 ( 1.143 7.033 -0.976) 7.192 7.889 ( 0.321 1.324 3.154) 3.435 8.590 ( 12.918 4.614 5.035) 14.613 12.228 ( -3.626 4.608 -2.633) 6.428 13.596 ( -1.898 11.383 -3.239) 11.986 15.382 ( 3.356 2.264 4.553) 6.092 17.311 ( -0.504 -3.732 3.307) 5.012 18.034 ( 1.829 -13.548 -4.846) 14.504======================= Grid point 646 (336/468) =======================q-point: (-0.27 0.27 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( 2.698 -3.498 -0.279) 4.427 2.603 ( 4.564 -7.418 6.286) 10.742 2.944 ( -0.822 -2.824 5.518) 6.253 3.300 ( -12.183 -4.700 6.403) 14.544 3.902 ( 4.321 -6.016 6.066) 9.574 5.099 ( 3.010 3.219 -21.749) 22.191 5.406 ( -0.959 1.233 -6.095) 6.292 6.140 ( -0.253 -4.266 -0.041) 4.273 6.569 ( 1.279 2.046 12.506) 12.737 6.788 ( 2.792 -5.783 -0.533) 6.444 7.354 ( -2.043 5.975 -1.939) 6.605 7.882 ( -0.208 0.564 3.030) 3.089 8.650 ( 5.961 6.347 3.176) 9.269 12.124 ( -0.886 4.456 -3.583) 5.786 13.468 ( -0.705 3.053 -1.674) 3.552 15.413 ( 3.304 0.860 3.141) 4.639 17.368 ( 0.932 -2.433 5.569) 6.149 18.176 ( 0.122 -5.696 -6.884) 8.935======================= Grid point 647 (337/468) =======================q-point: (-0.18 0.27 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( 3.098 -5.329 1.009) 6.246 2.735 ( 4.028 1.136 7.358) 8.465 2.929 ( -3.682 2.295 12.224) 12.971 3.230 ( -10.561 -6.535 4.196) 13.109 3.970 ( -1.368 1.108 3.444) 3.868 5.071 ( 3.744 1.110 -22.682) 23.016 5.447 ( 8.804 -1.203 -5.483) 10.442 6.181 ( -1.527 -3.021 -0.450) 3.414 6.634 ( 1.251 -4.285 13.526) 14.244 6.895 ( 4.086 -2.783 -1.945) 5.313 7.233 ( -6.247 1.800 -2.606) 7.004 7.885 ( -0.527 -0.991 2.484) 2.726 8.578 ( -2.515 7.507 1.205) 8.008 12.062 ( 2.467 4.810 -3.890) 6.661 13.485 ( 0.558 -5.851 -0.310) 5.886 15.454 ( 2.287 -0.488 0.906) 2.508 17.423 ( 1.776 -0.584 6.892) 7.141 18.172 ( -1.489 2.595 -8.737) 9.235======================= Grid point 648 (338/468) =======================q-point: (-0.09 0.27 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 3.596 -6.445 1.858) 7.611 2.672 ( 0.964 13.427 6.209) 14.824 2.851 ( -5.479 3.787 16.526) 17.817 3.233 ( -7.244 -9.079 2.333) 11.847 3.866 ( -3.897 7.723 -0.908) 8.698 5.072 ( 3.133 -0.788 -17.989) 18.277 5.617 ( 12.649 -1.196 -5.845) 13.985 6.186 ( -2.132 -1.893 0.486) 2.892 6.730 ( 1.624 -0.229 11.105) 11.225 6.977 ( 4.723 -1.282 -2.767) 5.622 7.164 ( -9.085 -9.099 2.595) 13.117 7.909 ( -0.919 -3.223 1.202) 3.560 8.380 ( -9.843 7.958 -0.515) 12.668 12.035 ( 5.352 5.248 -2.929) 8.048 13.648 ( 1.477 -14.656 0.411) 14.736 15.486 ( 0.314 -1.402 -1.579) 2.135 17.446 ( 2.624 4.283 7.415) 8.956 18.039 ( -3.427 7.771 -10.396) 13.424======================= Grid point 653 (339/468) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( -2.221 0.000 0.054) 2.221 2.107 ( -8.864 0.000 -10.989) 14.119 2.474 ( -9.881 0.000 -7.223) 12.239 3.062 ( 2.140 -0.000 -3.247) 3.888 3.467 ( 3.907 -0.000 13.161) 13.729 5.201 ( 0.298 -0.000 -8.358) 8.363 5.760 ( 6.852 -0.000 4.475) 8.184 6.142 ( -21.809 0.000 -5.850) 22.580 6.262 ( -1.797 0.000 1.018) 2.065 7.216 ( 3.617 -0.000 22.254) 22.546 7.633 ( 4.912 -0.000 0.657) 4.956 8.030 ( -3.088 0.000 6.293) 7.010 8.228 ( 17.323 -0.000 7.280) 18.791 12.500 ( -0.225 0.000 1.225) 1.245 14.596 ( -5.706 0.000 -8.339) 10.104 15.487 ( 2.524 -0.000 4.850) 5.467 16.641 ( 1.891 -0.000 -0.804) 2.055 17.491 ( -1.305 0.000 -2.076) 2.452======================= Grid point 654 (340/468) =======================q-point: ( 0.45 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( -0.302 -16.000 -0.727) 16.020 2.003 ( -4.044 -0.357 -9.089) 9.954 2.378 ( -8.471 -7.444 -6.894) 13.217 3.107 ( 1.434 -3.454 -2.845) 4.699 3.534 ( 1.730 -0.287 13.062) 13.179 5.192 ( 0.796 -0.352 -9.707) 9.746 5.815 ( -15.301 0.755 5.252) 16.194 5.900 ( 3.268 -0.713 -6.664) 7.457 6.277 ( -0.749 -4.040 1.016) 4.233 7.239 ( 1.214 7.988 23.382) 24.739 7.673 ( 3.633 2.715 0.675) 4.585 7.982 ( -2.061 2.542 4.463) 5.535 8.483 ( 18.456 1.080 7.052) 19.786 12.456 ( -3.763 2.115 -0.529) 4.349 14.390 ( -5.449 14.157 -7.820) 17.067 15.498 ( 3.693 5.002 5.858) 8.543 16.806 ( 0.720 -17.444 -0.932) 17.484 17.501 ( 0.890 -2.870 -1.321) 3.283======================= Grid point 655 (341/468) =======================q-point: (-0.45 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( 3.790 -13.349 -1.727) 13.984 1.977 ( -3.301 -8.029 -5.893) 10.493 2.446 ( -4.389 -15.135 -4.402) 16.362 3.174 ( -1.566 -5.584 -1.435) 5.975 3.589 ( 1.538 -1.650 12.921) 13.117 5.191 ( 1.277 -0.290 -11.931) 12.003 5.567 ( -15.348 0.688 -2.173) 15.516 6.000 ( 6.168 -0.621 0.291) 6.206 6.365 ( 1.447 -7.322 0.701) 7.496 7.120 ( -0.184 15.222 21.877) 26.653 7.655 ( 2.175 5.459 0.179) 5.879 7.937 ( -0.647 2.036 3.231) 3.873 8.702 ( 15.395 2.996 5.991) 16.789 12.352 ( -4.369 3.556 -1.915) 5.950 14.064 ( -4.157 18.564 -6.013) 19.952 15.486 ( 3.761 4.989 5.359) 8.232 17.064 ( -0.494 -15.945 1.067) 15.988 17.610 ( 2.169 -10.317 -2.669) 10.875======================= Grid point 656 (342/468) =======================q-point: (-0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 1.405 -1.245 -4.866) 5.216 2.215 ( 2.863 -18.955 1.100) 19.202 2.634 ( -3.007 -17.355 -2.576) 17.801 3.183 ( -7.754 -3.404 4.036) 9.381 3.704 ( 4.092 -5.885 9.575) 11.961 5.172 ( 0.035 1.165 -13.676) 13.725 5.409 ( -6.246 -1.111 -3.895) 7.444 6.071 ( 3.476 -0.233 0.630) 3.540 6.522 ( 3.811 -8.875 0.092) 9.659 6.918 ( -0.129 16.901 17.959) 24.661 7.578 ( 0.494 7.676 -0.801) 7.734 7.913 ( -0.432 1.442 3.061) 3.411 8.820 ( 8.500 5.149 4.098) 10.750 12.249 ( -1.583 3.951 -2.816) 5.103 13.754 ( -2.727 15.743 -4.028) 16.477 15.480 ( 3.189 3.794 4.047) 6.398 17.238 ( 0.385 -8.140 4.633) 9.374 17.822 ( 0.773 -15.772 -5.690) 16.785======================= Grid point 657 (343/468) =======================q-point: (-0.27 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( 1.434 -3.477 -3.855) 5.386 2.513 ( 4.179 -14.360 4.280) 15.556 2.817 ( -3.209 -13.638 -1.862) 14.133 3.092 ( -11.349 -1.121 9.818) 15.048 3.868 ( 2.408 -6.600 6.204) 9.373 5.117 ( 0.348 1.343 -16.595) 16.652 5.416 ( 4.253 -2.183 -4.116) 6.308 6.113 ( 1.885 -0.719 0.433) 2.063 6.690 ( 4.432 -0.139 5.308) 6.917 6.751 ( 0.103 3.885 7.856) 8.765 7.444 ( -1.769 9.405 -1.908) 9.758 7.892 ( -0.868 1.116 2.987) 3.305 8.793 ( -0.316 7.110 1.903) 7.367 12.192 ( 2.595 4.122 -3.346) 5.909 13.538 ( -1.360 9.172 -2.366) 9.569 15.478 ( 2.057 2.301 2.196) 3.788 17.349 ( 1.534 -4.384 6.552) 8.031 18.018 ( -1.163 -12.802 -7.508) 14.887======================= Grid point 658 (344/468) =======================q-point: (-0.18 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 1.530 -5.909 -2.888) 6.753 2.743 ( 3.076 -8.537 6.631) 11.239 2.908 ( -3.272 -3.367 4.738) 6.670 2.982 ( -11.260 -4.811 6.680) 13.948 3.945 ( -2.106 -1.948 4.547) 5.376 5.085 ( 2.382 0.611 -21.578) 21.717 5.560 ( 12.069 -2.755 -1.282) 12.446 6.144 ( 0.851 -0.661 -0.479) 1.180 6.644 ( -0.211 2.219 12.955) 13.145 6.874 ( 3.626 -6.261 -2.721) 7.730 7.255 ( -4.326 10.055 -2.743) 11.285 7.874 ( -1.157 0.228 2.873) 3.105 8.622 ( -8.117 8.495 -0.051) 11.749 12.180 ( 5.629 4.642 -3.372) 8.038 13.451 ( -0.150 0.989 -1.185) 1.551 15.474 ( 0.228 0.837 -0.050) 0.869 17.438 ( 2.084 -2.738 6.840) 7.657 18.109 ( -2.502 -5.197 -8.242) 10.060======================= Grid point 659 (345/468) =======================q-point: (-0.09 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.144 ( 0.967 -8.075 -2.351) 8.465 2.819 ( 0.243 4.399 11.130) 11.970 2.863 ( -3.782 2.579 11.424) 12.307 2.988 ( -6.901 -10.664 -2.311) 12.911 3.892 ( -4.342 3.727 2.458) 6.228 5.074 ( 3.261 -0.124 -21.908) 22.150 5.782 ( 14.801 -1.187 -0.580) 14.859 6.144 ( -1.076 0.029 -0.780) 1.329 6.715 ( 0.006 -8.040 13.971) 16.119 6.961 ( -1.516 -0.472 -4.822) 5.076 7.064 ( -2.148 4.440 -1.831) 5.261 7.869 ( -1.402 -1.220 2.375) 3.016 8.348 ( -12.524 9.168 -1.302) 15.576 12.191 ( 6.919 4.948 -2.566) 8.884 13.500 ( 0.660 -7.588 -0.610) 7.641 15.458 ( -1.925 -0.357 -2.024) 2.816 17.510 ( 2.191 -1.339 6.075) 6.595 18.062 ( -3.394 3.945 -8.416) 9.895======================= Grid point 665 (346/468) =======================q-point: (-0.55 -0.55 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( 1.030 -0.000 0.412) 1.109 1.972 ( 0.711 -0.000 -8.878) 8.907 2.175 ( -8.872 0.000 -8.354) 12.186 3.090 ( 0.441 -0.000 -2.886) 2.920 3.571 ( 0.076 -0.000 13.753) 13.753 5.180 ( 0.697 -0.000 -8.951) 8.979 5.576 ( -17.269 0.000 -1.072) 17.302 5.999 ( 8.942 -0.000 -0.706) 8.970 6.248 ( 0.407 -0.000 1.020) 1.098 7.357 ( 0.239 -0.000 24.998) 24.999 7.733 ( 2.079 -0.000 0.813) 2.232 7.980 ( -1.907 0.000 4.025) 4.454 8.749 ( 16.600 -0.000 6.145) 17.701 12.407 ( -4.941 0.000 -1.685) 5.221 14.401 ( -5.773 0.000 -7.477) 9.446 15.610 ( 4.159 -0.000 5.902) 7.220 16.682 ( 1.267 -0.000 -0.926) 1.570 17.492 ( 1.202 -0.000 -0.828) 1.460======================= Grid point 666 (347/468) =======================q-point: (-0.45 -0.55 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( 2.525 -17.866 1.599) 18.114 1.931 ( -0.525 2.488 -8.588) 8.956 2.162 ( -4.804 -12.221 -7.726) 15.235 3.097 ( -1.390 -1.973 -1.930) 3.090 3.605 ( 0.117 -1.355 14.252) 14.317 5.175 ( 0.628 -0.347 -9.444) 9.471 5.373 ( -12.209 -0.870 -0.967) 12.278 6.103 ( 7.431 1.738 -0.596) 7.655 6.303 ( 2.414 -5.169 0.323) 5.714 7.341 ( -0.458 8.976 24.548) 26.142 7.733 ( 0.547 2.645 0.597) 2.766 7.957 ( -0.903 1.264 3.100) 3.467 8.933 ( 10.597 2.328 4.195) 11.633 12.334 ( -2.817 1.638 -2.387) 4.039 14.221 ( -4.491 12.212 -5.643) 14.183 15.626 ( 3.443 5.512 4.762) 8.057 16.823 ( 0.634 -15.749 -0.112) 15.762 17.531 ( 1.039 -3.694 -1.489) 4.116======================= Grid point 667 (348/468) =======================q-point: (-0.36 -0.55 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( -0.229 -1.625 -5.702) 5.934 1.959 ( 3.378 -22.611 1.041) 22.886 2.301 ( -5.090 -17.223 -6.592) 19.131 3.080 ( -4.422 -0.656 2.504) 5.124 3.687 ( 1.729 -4.717 11.477) 12.529 5.141 ( -2.682 0.691 -8.212) 8.667 5.312 ( -1.283 -4.379 -3.064) 5.496 6.149 ( 4.859 2.719 -0.101) 5.569 6.452 ( 4.538 -8.292 -0.962) 9.501 7.198 ( -0.516 15.731 21.237) 26.433 7.671 ( -0.988 5.613 -0.415) 5.715 7.934 ( -0.604 1.549 3.025) 3.452 8.973 ( 2.154 5.087 1.629) 5.760 12.290 ( 1.817 2.523 -2.630) 4.073 13.945 ( -2.961 16.605 -3.595) 17.246 15.589 ( 2.011 5.396 2.972) 6.480 17.082 ( 1.004 -16.370 3.188) 16.707 17.622 ( -0.569 -9.499 -4.569) 10.556======================= Grid point 668 (349/468) =======================q-point: (-0.27 -0.55 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( -1.309 -3.304 -6.061) 7.026 2.337 ( 4.301 -19.521 3.327) 20.264 2.477 ( -6.543 -19.781 -4.850) 21.392 3.014 ( -5.144 1.736 8.766) 10.311 3.809 ( 0.648 -6.145 6.971) 9.315 5.087 ( -1.299 -0.129 -10.857) 10.935 5.423 ( 6.593 -6.434 -2.085) 9.445 6.171 ( 4.206 2.514 0.031) 4.900 6.639 ( 4.382 -9.078 -1.927) 10.263 6.983 ( -0.751 17.574 16.421) 24.064 7.542 ( -2.842 8.526 -1.836) 9.172 7.905 ( -1.049 1.728 3.139) 3.734 8.856 ( -5.718 7.566 -0.690) 9.508 12.296 ( 5.722 3.350 -2.771) 7.186 13.681 ( -1.715 14.013 -1.974) 14.255 15.541 ( 0.195 3.889 1.069) 4.037 17.299 ( 2.326 -8.874 6.562) 11.279 17.767 ( -2.739 -15.050 -7.942) 17.236======================= Grid point 669 (350/468) =======================q-point: (-0.18 -0.55 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( -3.065 -6.723 -5.010) 8.927 2.610 ( 0.047 -13.401 0.078) 13.401 2.677 ( -2.393 -16.532 0.578) 16.714 2.943 ( -2.966 3.253 13.437) 14.140 3.883 ( -2.232 -3.673 4.613) 6.305 5.062 ( 0.539 -0.822 -17.326) 17.354 5.656 ( 12.105 -7.552 1.496) 14.346 6.194 ( 4.559 2.566 -0.633) 5.269 6.752 ( -3.104 9.595 9.851) 14.098 6.822 ( 3.725 -4.667 -0.658) 6.007 7.345 ( -4.723 10.744 -2.679) 12.039 7.872 ( -1.493 1.290 3.126) 3.697 8.615 ( -10.639 9.369 -2.160) 14.340 12.324 ( 6.721 4.233 -2.860) 8.442 13.505 ( -0.562 7.549 -0.914) 7.625 15.486 ( -1.818 2.427 -0.710) 3.115 17.431 ( 2.264 -3.932 6.004) 7.525 17.923 ( -3.013 -13.217 -7.734) 15.607======================= Grid point 670 (351/468) =======================q-point: (-0.09 -0.55 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( -4.104 -9.814 -3.787) 11.292 2.752 ( -4.197 -10.568 -2.827) 11.717 2.828 ( -1.554 -5.337 3.757) 6.709 2.916 ( 3.489 2.986 16.442) 17.071 3.871 ( -3.959 0.544 3.644) 5.408 5.055 ( 2.034 -1.479 -21.955) 22.099 5.937 ( 12.559 -6.004 3.989) 14.481 6.197 ( 4.374 6.355 -2.569) 8.131 6.627 ( -5.009 -0.670 9.333) 10.613 6.928 ( 0.347 -3.078 -3.655) 4.791 7.123 ( -3.691 8.710 -1.487) 9.576 7.841 ( -2.296 0.400 2.583) 3.479 8.316 ( -11.034 9.902 -2.192) 14.987 12.339 ( 5.518 4.314 -2.615) 7.476 13.450 ( 0.335 -0.183 -0.472) 0.607 15.421 ( -3.434 1.105 -1.773) 4.019 17.506 ( 0.621 -2.629 2.900) 3.964 18.012 ( -1.529 -4.742 -5.324) 7.292======================= Grid point 677 (352/468) =======================q-point: (-0.45 -0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 0.599 -0.000 4.148) 4.191 1.945 ( -2.165 0.000 -9.316) 9.565 1.980 ( -1.556 0.000 -8.694) 8.832 3.064 ( -1.280 0.000 -2.728) 3.013 3.621 ( -0.179 0.000 15.537) 15.538 5.169 ( 1.216 -0.000 -8.747) 8.831 5.220 ( -8.282 0.000 1.113) 8.356 6.233 ( 8.388 -0.000 -1.814) 8.582 6.287 ( 2.095 -0.000 0.374) 2.128 7.447 ( -1.281 0.000 24.883) 24.916 7.749 ( -1.099 0.000 0.597) 1.251 7.962 ( -0.575 0.000 2.651) 2.713 9.054 ( 3.520 -0.000 1.559) 3.850 12.328 ( 1.391 -0.000 -2.328) 2.712 14.248 ( -3.592 0.000 -3.981) 5.362 15.722 ( 2.217 -0.000 3.729) 4.338 16.699 ( 0.326 -0.000 -1.228) 1.271 17.511 ( -0.050 0.000 -1.130) 1.131======================= Grid point 678 (353/468) =======================q-point: (-0.36 -0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( -1.784 -20.547 5.338) 21.304 1.857 ( -4.055 0.610 -8.364) 9.315 2.057 ( 1.233 -9.253 -7.073) 11.711 3.039 ( -1.764 0.125 -1.212) 2.144 3.670 ( 0.163 -2.631 13.652) 13.904 5.111 ( -2.040 2.325 -2.899) 4.239 5.236 ( 1.769 -5.871 -3.122) 6.880 6.266 ( 4.949 3.880 -0.501) 6.309 6.409 ( 5.307 -6.330 -1.577) 8.409 7.402 ( -3.021 8.616 21.488) 23.347 7.706 ( -2.696 2.688 0.013) 3.807 7.953 ( -0.357 1.157 2.998) 3.233 9.031 ( -2.849 3.765 -0.952) 4.817 12.366 ( 5.985 1.309 -2.189) 6.505 14.112 ( -2.469 11.530 -2.176) 11.990 15.696 ( 0.468 5.949 1.993) 6.292 16.837 ( 0.416 -17.076 -0.119) 17.081 17.517 ( -1.637 -2.767 -2.325) 3.967======================= Grid point 679 (354/468) =======================q-point: (-0.27 -0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( -6.935 -2.951 -6.569) 9.998 1.983 ( -2.894 -28.429 4.277) 28.894 2.234 ( 3.838 -11.413 -2.596) 12.318 3.012 ( -0.640 1.202 2.824) 3.135 3.744 ( -0.922 -4.596 8.941) 10.095 5.060 ( -0.491 1.473 -6.017) 6.214 5.402 ( 7.348 -9.150 -0.366) 11.741 6.283 ( 5.431 3.351 -0.106) 6.382 6.573 ( 4.462 -7.392 -2.130) 8.893 7.217 ( -5.313 13.897 16.072) 21.901 7.594 ( -4.410 5.980 -1.468) 7.574 7.928 ( -0.770 2.187 3.543) 4.234 8.876 ( -6.247 8.156 -2.638) 10.606 12.428 ( 7.666 2.845 -2.473) 8.543 13.874 ( -1.695 15.814 -0.683) 15.919 15.602 ( -1.498 5.791 0.295) 5.989 17.141 ( 2.372 -20.072 3.007) 20.435 17.538 ( -3.851 -6.714 -5.269) 9.363======================= Grid point 680 (355/468) =======================q-point: (-0.18 -0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( -7.198 -6.672 -3.807) 10.527 2.335 ( -2.009 -22.621 1.729) 22.775 2.460 ( 2.292 -13.712 2.513) 14.127 3.010 ( 3.103 2.422 7.111) 8.128 3.802 ( -2.423 -4.432 5.337) 7.349 5.026 ( 0.041 0.357 -11.890) 11.896 5.678 ( 10.703 -10.868 1.776) 15.357 6.321 ( 7.263 3.143 0.226) 7.917 6.720 ( 1.859 -6.501 -1.759) 6.986 6.946 ( -7.145 14.183 9.968) 18.750 7.410 ( -5.992 8.957 -2.664) 11.101 7.887 ( -1.209 2.468 3.690) 4.601 8.631 ( -7.039 11.964 -3.536) 14.325 12.465 ( 5.609 4.242 -2.971) 7.634 13.645 ( -0.675 12.889 0.413) 12.914 15.497 ( -3.142 4.283 -0.802) 5.372 17.410 ( 3.635 -6.695 5.480) 9.385 17.626 ( -4.393 -17.915 -7.887) 20.061======================= Grid point 681 (356/468) =======================q-point: (-0.09 -0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.770 ( -5.031 -9.249 -0.944) 10.571 2.557 ( -1.406 -11.157 0.851) 11.278 2.673 ( -2.051 -13.569 4.064) 14.312 3.071 ( 8.657 2.366 10.754) 14.006 3.820 ( -3.227 -1.818 3.998) 5.450 5.009 ( 1.073 -1.442 -18.432) 18.519 5.963 ( 7.769 -8.922 1.200) 11.891 6.396 ( 10.822 3.979 0.389) 11.536 6.606 ( -10.944 9.754 6.687) 16.113 6.866 ( 0.209 -4.318 -2.447) 4.968 7.189 ( -5.182 8.833 -1.498) 10.350 7.840 ( -1.680 2.523 3.262) 4.453 8.352 ( -5.656 12.759 -3.325) 14.347 12.446 ( 1.889 4.194 -3.162) 5.582 13.502 ( 0.413 6.725 0.722) 6.776 15.396 ( -3.816 2.782 -0.931) 4.813 17.473 ( -0.992 -1.849 -0.307) 2.121 17.857 ( 1.046 -15.068 -2.518) 15.313======================= Grid point 689 (357/468) =======================q-point: (-0.36 -0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( -4.654 0.000 6.743) 8.194 1.751 ( -8.498 0.000 -6.587) 10.752 2.048 ( 6.780 -0.000 -3.556) 7.656 3.021 ( -0.293 0.000 -3.881) 3.892 3.675 ( -0.902 0.000 13.636) 13.665 5.163 ( 3.026 -0.000 5.454) 6.237 5.181 ( 2.283 -0.000 -7.926) 8.249 6.356 ( 2.851 -0.000 -0.489) 2.893 6.439 ( 7.625 -0.000 -1.766) 7.827 7.427 ( -8.368 0.000 17.318) 19.234 7.678 ( -4.163 0.000 0.072) 4.164 7.966 ( -0.375 0.000 3.661) 3.680 9.011 ( -3.290 0.000 -1.940) 3.820 12.472 ( 8.373 -0.000 -2.332) 8.692 14.169 ( -1.814 0.000 -0.548) 1.894 15.750 ( -0.771 0.000 1.204) 1.430 16.689 ( -0.622 0.000 -1.623) 1.738 17.470 ( -2.287 0.000 -1.577) 2.778======================= Grid point 690 (358/468) =======================q-point: (-0.27 -0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -6.846 -16.292 3.130) 17.947 1.665 ( -4.539 -7.325 1.435) 8.736 2.178 ( 5.574 -5.668 0.686) 7.979 3.027 ( 2.224 -0.698 -3.739) 4.406 3.695 ( -2.228 -2.043 10.995) 11.403 5.115 ( 2.403 5.962 -3.543) 7.339 5.364 ( 7.772 -10.240 1.499) 12.943 6.387 ( 4.207 1.048 -0.452) 4.359 6.562 ( 6.587 -2.959 -1.186) 7.318 7.261 ( -13.339 5.757 11.865) 18.757 7.589 ( -5.635 3.206 -0.811) 6.533 7.950 ( -1.616 1.324 3.604) 4.165 8.935 ( -0.193 6.936 -1.819) 7.174 12.561 ( 6.886 1.990 -3.269) 7.878 14.059 ( -1.410 11.479 1.077) 11.615 15.671 ( -2.305 6.989 -0.053) 7.359 16.842 ( -0.001 -20.596 -1.220) 20.632 17.443 ( -2.298 -1.028 -1.521) 2.941======================= Grid point 691 (359/468) =======================q-point: (-0.18 -0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( -5.123 -5.783 1.422) 7.856 1.962 ( -0.029 -26.862 7.554) 27.904 2.336 ( 1.493 -8.174 3.900) 9.180 3.097 ( 6.669 -1.313 -1.284) 6.917 3.718 ( -3.056 -3.693 7.698) 9.068 5.052 ( 1.665 4.985 -7.060) 8.802 5.651 ( 9.226 -11.857 0.846) 15.048 6.448 ( 6.202 0.161 0.248) 6.209 6.679 ( 3.306 -2.699 -0.134) 4.270 6.983 ( -13.451 8.207 7.401) 17.409 7.429 ( -6.918 6.616 -2.119) 9.804 7.907 ( -2.301 1.589 3.533) 4.506 8.786 ( 1.910 15.131 -2.754) 15.497 12.572 ( 2.015 3.992 -4.160) 6.107 13.847 ( -0.428 15.209 2.591) 15.434 15.527 ( -3.508 6.576 -0.634) 7.480 17.205 ( 0.451 -27.308 -2.283) 27.407 17.433 ( -0.488 -0.921 -0.323) 1.091======================= Grid point 692 (360/468) =======================q-point: (-0.09 -0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.623 ( 0.305 -6.365 5.551) 8.450 2.353 ( 1.829 -22.058 6.739) 23.137 2.455 ( -3.147 -8.930 4.761) 10.598 3.231 ( 9.961 -0.776 3.768) 10.679 3.748 ( -2.670 -3.898 4.701) 6.665 4.997 ( 1.719 2.644 -12.598) 12.987 5.909 ( 4.280 -9.720 -2.918) 11.014 6.514 ( -3.408 3.156 2.196) 5.138 6.615 ( -3.200 2.173 2.507) 4.609 6.860 ( 4.252 2.182 2.169) 5.248 7.229 ( -5.182 7.083 -0.986) 8.832 7.860 ( -2.179 1.777 3.775) 4.707 8.548 ( 1.675 19.477 -4.498) 20.060 12.493 ( -3.049 4.205 -4.166) 6.658 13.653 ( 0.768 12.385 2.872) 12.737 15.398 ( -3.339 4.518 -0.090) 5.619 17.405 ( -4.137 -5.145 -4.146) 7.795 17.629 ( 5.981 -19.441 1.188) 20.375======================= Grid point 701 (361/468) =======================q-point: (-0.27 -0.27 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( -3.778 0.000 9.312) 10.049 1.570 ( -1.655 0.000 5.146) 5.406 2.209 ( 3.671 -0.000 4.615) 5.897 3.050 ( 4.463 -0.000 -7.232) 8.498 3.667 ( -3.281 0.000 11.554) 12.011 5.232 ( 3.640 -0.000 -6.736) 7.657 5.373 ( 8.954 -0.000 5.231) 10.370 6.432 ( 2.982 -0.000 -1.244) 3.231 6.653 ( 7.969 -0.000 1.132) 8.048 7.101 ( -17.303 0.000 7.825) 18.990 7.529 ( -6.622 0.000 -0.589) 6.648 7.927 ( -3.682 0.000 2.099) 4.238 9.036 ( 6.214 -0.000 -0.681) 6.251 12.637 ( 2.585 -0.000 -4.814) 5.464 14.136 ( -0.852 0.000 3.275) 3.385 15.702 ( -2.650 0.000 -0.822) 2.774 16.655 ( -1.293 0.000 -2.003) 2.385 17.420 ( 0.020 -0.000 -0.070) 0.073======================= Grid point 702 (362/468) =======================q-point: (-0.18 -0.27 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( -1.284 -10.395 8.854) 13.714 1.694 ( 4.950 -12.660 12.516) 18.478 2.278 ( 0.555 -3.504 7.167) 7.997 3.141 ( 7.369 -3.853 -7.431) 11.152 3.651 ( -3.912 -1.609 10.986) 11.773 5.184 ( 3.874 8.785 -5.139) 10.890 5.597 ( 7.124 -10.657 -0.487) 12.828 6.486 ( 3.345 -2.060 -1.354) 4.156 6.680 ( -9.146 1.879 3.659) 10.028 6.941 ( 1.134 1.720 5.870) 6.221 7.404 ( -7.452 3.766 -1.295) 8.449 7.875 ( -4.181 -0.233 1.778) 4.549 9.053 ( 7.500 11.264 -2.690) 13.797 12.601 ( -3.662 2.432 -5.641) 7.151 14.054 ( 0.518 11.267 5.531) 12.562 15.587 ( -3.360 7.901 -1.218) 8.672 16.815 ( -1.482 -22.315 -2.911) 22.553 17.447 ( 3.468 -0.631 1.123) 3.699======================= Grid point 703 (363/468) =======================q-point: (-0.09 -0.27 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 5.546 -7.208 11.379) 14.566 2.057 ( 4.247 -22.224 11.657) 25.452 2.350 ( -0.917 -4.982 8.156) 9.601 3.314 ( 8.674 -5.331 -3.244) 10.686 3.659 ( -3.398 -4.148 8.078) 9.696 5.096 ( 3.827 8.396 -7.415) 11.837 5.792 ( -0.261 -8.621 -6.497) 10.798 6.444 ( -13.260 3.455 4.392) 14.390 6.582 ( 2.493 -4.464 -1.417) 5.306 7.028 ( 8.048 5.255 5.140) 10.899 7.254 ( -1.670 3.323 1.386) 3.969 7.834 ( -3.643 -0.644 2.692) 4.575 8.890 ( 4.550 21.056 -6.277) 22.438 12.462 ( -8.166 3.238 -5.036) 10.126 13.882 ( 1.794 15.447 5.961) 16.654 15.436 ( -2.540 6.332 -0.055) 6.823 17.123 ( -3.466 -22.281 -4.015) 22.904 17.562 ( 7.758 -5.686 1.361) 9.715======================= Grid point 713 (364/468) =======================q-point: (-0.18 -0.18 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( -0.536 0.000 12.377) 12.389 1.781 ( 12.810 -0.000 18.021) 22.110 2.271 ( -0.653 0.000 9.063) 9.086 3.189 ( 7.500 -0.000 -9.316) 11.960 3.608 ( -4.512 0.000 13.391) 14.130 5.316 ( 4.105 -0.000 -5.462) 6.833 5.579 ( 4.365 -0.000 -3.463) 5.572 6.494 ( -17.551 0.000 4.916) 18.226 6.511 ( 3.529 -0.000 -1.708) 3.921 7.092 ( 13.721 -0.000 7.791) 15.779 7.323 ( -8.114 0.000 -1.179) 8.199 7.814 ( -4.375 0.000 1.111) 4.514 9.233 ( 6.297 -0.000 -5.860) 8.602 12.517 ( -9.227 0.000 -5.966) 10.988 14.176 ( 2.456 -0.000 8.628) 8.971 15.609 ( -3.316 0.000 -2.338) 4.057 16.607 ( -1.498 0.000 -2.255) 2.707 17.512 ( 6.508 -0.000 1.165) 6.612======================= Grid point 714 (365/468) =======================q-point: (-0.09 -0.18 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.491 ( 1.996 -16.307 12.271) 20.506 2.035 ( 13.129 -2.843 18.494) 22.858 2.304 ( 0.095 -3.625 10.176) 10.803 3.319 ( 7.264 -6.111 -8.324) 12.625 3.584 ( -4.583 -1.648 14.011) 14.834 5.278 ( 4.421 9.018 -5.299) 11.356 5.647 ( -2.999 -5.404 -9.069) 10.974 6.300 ( -11.133 -0.794 5.638) 12.504 6.575 ( 4.049 -2.025 -1.838) 4.886 7.152 ( -5.842 6.529 -0.373) 8.769 7.334 ( 12.355 -2.461 9.188) 15.592 7.775 ( -2.807 -1.064 2.189) 3.715 9.171 ( 0.785 13.016 -9.637) 16.215 12.347 ( -11.790 1.329 -5.180) 12.946 14.147 ( 4.063 12.449 9.535) 16.199 15.504 ( -1.838 6.670 -1.150) 7.014 16.752 ( -1.905 -20.519 -2.688) 20.782 17.626 ( 8.436 -1.541 0.145) 8.577======================= Grid point 725 (366/468) =======================q-point: (-0.09 -0.09 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 2.009 -0.000 13.576) 13.724 2.274 ( 14.763 -0.000 20.920) 25.604 2.282 ( -0.676 0.000 9.215) 9.240 3.340 ( 5.925 -0.000 -9.583) 11.267 3.544 ( -4.438 0.000 17.775) 18.321 5.390 ( 2.429 -0.000 -4.398) 5.024 5.540 ( -4.199 0.000 -11.318) 12.072 6.182 ( -5.631 0.000 5.697) 8.010 6.623 ( 5.422 -0.000 -1.776) 5.705 7.090 ( -8.537 0.000 -1.553) 8.677 7.482 ( 6.774 -0.000 9.696) 11.828 7.777 ( 4.604 -0.000 4.856) 6.692 9.208 ( -6.309 0.000 -11.869) 13.441 12.176 ( -12.405 0.000 -5.011) 13.379 14.342 ( 6.382 -0.000 11.520) 13.170 15.538 ( -0.763 0.000 -1.865) 2.015 16.561 ( -1.175 0.000 -2.284) 2.568 17.731 ( 8.330 -0.000 -1.397) 8.447======================= Grid point 726 (367/468) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( 0.777 -0.000 7.774) 7.813 2.445 ( 0.808 -0.000 3.746) 3.832 2.950 ( 2.910 -0.000 12.008) 12.355 3.235 ( 1.685 -0.000 -7.051) 7.249 3.817 ( -3.148 0.000 9.368) 9.883 5.203 ( 0.599 -0.000 -7.861) 7.884 5.340 ( -0.285 0.000 -1.988) 2.009 6.194 ( 0.688 -0.000 0.627) 0.931 6.775 ( 6.211 -0.000 -0.603) 6.240 6.828 ( -6.354 0.000 -1.043) 6.439 7.693 ( 0.040 -0.000 7.238) 7.238 8.204 ( 5.513 -0.000 5.772) 7.982 8.666 ( -10.668 0.000 -7.212) 12.877 11.809 ( -4.038 0.000 -2.552) 4.777 14.723 ( 3.347 -0.000 5.268) 6.241 15.521 ( 0.941 -0.000 -1.136) 1.475 16.496 ( -0.228 0.000 -1.136) 1.158 17.814 ( 1.919 -0.000 -2.737) 3.343======================= Grid point 727 (368/468) =======================q-point: ( 0.09 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( -0.453 -16.520 5.828) 17.524 2.458 ( 2.191 2.242 2.729) 4.156 2.994 ( -1.466 -2.013 9.763) 10.076 3.283 ( -0.373 -7.194 -7.389) 10.320 3.743 ( -7.502 2.815 7.864) 11.228 5.185 ( 1.150 5.928 -3.817) 7.144 5.332 ( 3.790 -0.513 -4.765) 6.110 6.230 ( 2.727 -0.924 0.336) 2.899 6.716 ( -6.721 -0.570 -1.359) 6.881 6.889 ( 8.193 0.684 0.143) 8.223 7.730 ( 0.572 -1.970 7.987) 8.246 8.240 ( -3.186 -1.426 2.272) 4.165 8.429 ( -9.551 11.700 -1.812) 15.212 11.805 ( 2.332 -1.407 0.090) 2.725 14.599 ( 1.714 20.722 2.035) 20.892 15.516 ( 0.253 1.229 -1.536) 1.983 16.676 ( 0.389 -22.346 -0.168) 22.350 17.811 ( -0.570 0.794 -3.861) 3.983======================= Grid point 728 (369/468) =======================q-point: ( 0.18 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.167 ( -1.657 -23.132 3.176) 23.408 2.439 ( 2.543 5.619 0.955) 6.241 3.013 ( -4.184 -3.419 6.926) 8.785 3.384 ( -3.902 -11.115 -7.391) 13.907 3.585 ( -8.309 4.031 7.459) 11.871 5.055 ( -0.494 9.942 -3.671) 10.609 5.447 ( 9.589 -2.965 -5.424) 11.409 6.273 ( 3.138 1.449 1.051) 3.613 6.665 ( -4.694 -3.799 -1.062) 6.131 6.980 ( 7.486 1.555 -0.285) 7.652 7.768 ( -0.361 2.441 11.472) 11.734 8.082 ( -10.984 10.524 -4.595) 15.891 8.193 ( -6.076 2.254 3.144) 7.203 11.905 ( 7.446 -2.559 1.947) 8.111 14.267 ( 0.655 25.600 -0.433) 25.612 15.488 ( -1.054 1.426 -1.941) 2.629 17.062 ( 1.053 -27.721 1.195) 27.767 17.761 ( -2.895 1.528 -4.984) 5.962======================= Grid point 729 (370/468) =======================q-point: ( 0.27 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.334 ( -2.048 4.635 -3.079) 5.930 2.494 ( 0.454 -16.960 1.741) 17.055 2.993 ( -6.518 -2.080 1.337) 6.971 3.336 ( -8.680 2.132 7.863) 11.904 3.589 ( -2.318 -10.981 -1.746) 11.358 4.898 ( 0.593 9.818 -7.822) 12.567 5.636 ( 11.062 -4.770 -3.627) 12.581 6.272 ( 3.328 4.934 1.969) 6.268 6.689 ( -3.462 -6.775 -1.485) 7.752 7.041 ( 5.744 2.473 -1.415) 6.412 7.544 ( -7.967 20.692 11.804) 25.119 7.938 ( 0.342 1.678 -1.343) 2.176 8.082 ( -12.054 -4.614 0.251) 12.909 12.066 ( 9.254 -2.711 2.164) 9.883 13.923 ( 0.187 21.850 -1.498) 21.902 15.440 ( -2.204 1.367 -1.873) 3.199 17.463 ( 1.890 -23.746 2.522) 23.954 17.674 ( -4.654 1.648 -6.081) 7.833======================= Grid point 730 (371/468) =======================q-point: ( 0.36 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.177 ( -4.595 8.375 -5.455) 11.000 2.708 ( -0.154 -10.455 -1.006) 10.504 2.905 ( -7.536 -0.666 -1.479) 7.709 3.264 ( -1.445 0.838 15.191) 15.282 3.705 ( -3.659 -10.388 -2.773) 11.357 4.766 ( 1.748 7.806 -12.506) 14.846 5.864 ( 9.603 -7.864 -1.632) 12.519 6.244 ( 5.471 7.262 2.706) 9.487 6.731 ( -4.646 -6.038 -2.326) 7.966 7.032 ( -0.779 6.643 -3.175) 7.404 7.192 ( -3.593 14.054 10.372) 17.832 7.871 ( -5.309 2.147 -0.747) 5.775 8.055 ( -5.044 -6.658 1.039) 8.417 12.222 ( 7.525 -2.074 1.088) 7.881 13.656 ( 0.125 14.807 -1.367) 14.870 15.387 ( -2.588 0.878 -1.123) 2.954 17.569 ( -4.667 2.130 -4.835) 7.050 17.787 ( 2.005 -16.365 1.536) 16.559======================= Grid point 731 (372/468) =======================q-point: (-0.55 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.978 ( -5.021 7.405 -4.330) 9.940 2.743 ( -1.581 2.133 -1.492) 3.046 2.868 ( -3.121 -3.366 1.121) 4.725 3.319 ( 4.783 -0.443 13.599) 14.423 3.767 ( -4.247 -6.487 -2.606) 8.179 4.673 ( 1.915 4.651 -15.145) 15.959 6.068 ( 1.045 -6.777 -0.959) 6.923 6.272 ( 13.123 3.477 3.559) 14.034 6.651 ( -11.641 3.366 -1.058) 12.164 6.870 ( -4.422 1.262 0.391) 4.615 7.127 ( 3.528 3.223 2.786) 5.532 7.787 ( -4.568 -1.001 -0.807) 4.746 8.093 ( -1.716 -4.022 1.017) 4.489 12.323 ( 3.357 -1.400 -0.391) 3.659 13.502 ( 0.289 6.546 -0.473) 6.569 15.347 ( -2.121 -0.001 0.020) 2.121 17.474 ( -3.864 1.452 -4.078) 5.803 17.983 ( 2.356 -5.993 1.221) 6.555======================= Grid point 732 (373/468) =======================q-point: (-0.45 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( -0.076 3.546 1.116) 3.718 2.678 ( -2.047 2.934 2.156) 4.177 2.852 ( 0.806 4.346 1.682) 4.729 3.433 ( 9.126 2.117 8.793) 12.848 3.776 ( -3.530 -3.295 -2.734) 5.550 4.629 ( 1.347 -0.047 -14.051) 14.116 6.062 ( -3.231 3.733 -0.997) 5.036 6.410 ( -10.256 -2.214 -3.464) 11.050 6.521 ( 7.362 -5.805 6.084) 11.176 6.835 ( -2.287 -0.797 0.024) 2.422 7.168 ( 5.573 -0.133 2.254) 6.013 7.786 ( -1.145 -4.345 -0.436) 4.514 8.127 ( -0.283 -2.986 -0.751) 3.092 12.351 ( -1.627 -1.183 -1.685) 2.624 13.475 ( 0.496 -1.913 0.806) 2.134 15.332 ( -1.223 -0.992 1.013) 1.872 17.412 ( -1.809 0.900 -1.927) 2.792 18.024 ( 2.284 4.808 -0.196) 5.327======================= Grid point 733 (374/468) =======================q-point: (-0.36 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( 6.207 -0.848 7.417) 9.709 2.606 ( -2.533 4.661 3.953) 6.616 2.779 ( 4.690 10.673 4.804) 12.609 3.508 ( 10.147 8.072 2.410) 13.188 3.765 ( -1.856 -1.312 -2.373) 3.286 4.672 ( 1.762 -6.957 -9.633) 12.012 5.876 ( -11.398 6.046 -3.111) 13.272 6.340 ( -6.969 -5.814 -1.145) 9.148 6.673 ( 3.525 1.043 0.553) 3.718 6.857 ( -1.727 -6.900 3.618) 7.980 7.312 ( 11.589 -3.104 4.473) 12.805 7.850 ( -1.113 -4.793 1.042) 5.029 8.196 ( 1.737 -7.678 -5.563) 9.639 12.309 ( -6.140 -1.160 -2.867) 6.875 13.573 ( 0.859 -10.047 2.447) 10.376 15.345 ( -0.236 -1.835 1.552) 2.415 17.385 ( 0.182 2.009 0.932) 2.222 17.917 ( 2.456 13.299 -2.244) 13.708======================= Grid point 734 (375/468) =======================q-point: (-0.27 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.036 ( 8.561 -0.861 10.632) 13.678 2.456 ( -2.506 11.777 3.488) 12.536 2.740 ( 7.957 8.270 10.221) 15.368 3.477 ( 8.197 12.961 -3.799) 15.799 3.759 ( -0.643 -0.710 0.437) 1.053 4.838 ( 3.822 -12.332 -5.656) 14.096 5.621 ( -13.812 3.534 -4.339) 14.902 6.335 ( -4.104 -2.951 -0.380) 5.069 6.650 ( 2.354 4.857 -0.598) 5.430 6.938 ( -4.374 -7.631 2.874) 9.253 7.562 ( 15.076 -2.883 8.069) 17.341 7.863 ( -2.026 0.077 2.603) 3.299 8.388 ( 1.000 -17.428 -11.183) 20.731 12.209 ( -9.424 -0.712 -4.092) 10.299 13.796 ( 1.749 -17.440 4.395) 18.070 15.383 ( 0.726 -2.400 1.587) 2.967 17.312 ( 0.042 11.695 2.852) 12.037 17.756 ( 4.077 11.221 -3.770) 12.520======================= Grid point 735 (376/468) =======================q-point: (-0.18 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( 4.385 18.263 9.056) 20.852 2.348 ( -0.102 -2.245 5.319) 5.774 2.785 ( 9.665 6.000 13.258) 17.470 3.368 ( 5.679 12.700 -6.701) 15.441 3.774 ( -0.044 -1.277 4.629) 4.802 5.074 ( 4.955 -12.281 -4.450) 13.971 5.402 ( -11.608 1.104 -5.186) 12.762 6.294 ( -3.720 1.266 0.610) 3.977 6.636 ( 4.403 2.808 -0.599) 5.257 6.962 ( -6.296 -5.200 0.789) 8.204 7.739 ( 2.863 2.543 7.844) 8.729 7.890 ( 10.112 -0.393 5.406) 11.473 8.619 ( -3.706 -18.760 -13.298) 23.292 12.065 ( -10.648 0.147 -4.900) 11.722 14.130 ( 3.066 -22.261 6.042) 23.269 15.437 ( 1.346 -2.566 0.985) 3.061 17.037 ( -0.696 24.252 1.077) 24.286 17.726 ( 5.094 2.240 -2.398) 6.059======================= Grid point 736 (377/468) =======================q-point: (-0.09 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 1.875 16.451 8.326) 18.534 2.414 ( 0.008 -2.886 4.902) 5.689 2.870 ( 7.837 2.988 13.531) 15.920 3.268 ( 3.617 7.388 -6.954) 10.772 3.807 ( -0.371 -1.403 8.256) 8.383 5.241 ( -1.677 -1.508 -8.121) 8.428 5.289 ( -1.506 -5.948 -2.266) 6.540 6.221 ( -2.288 2.314 1.133) 3.446 6.685 ( 6.505 0.773 -0.399) 6.563 6.920 ( -7.760 -2.351 -0.946) 8.163 7.705 ( -0.750 2.837 6.704) 7.318 8.074 ( 11.434 -0.021 7.378) 13.608 8.734 ( -8.360 -11.374 -11.623) 18.285 11.913 ( -8.889 0.614 -4.483) 9.975 14.503 ( 3.942 -19.019 6.616) 20.519 15.491 ( 1.310 -2.048 -0.189) 2.439 16.679 ( -0.578 21.506 -0.554) 21.521 17.775 ( 4.023 -0.115 -2.005) 4.496======================= Grid point 738 (378/468) =======================q-point: ( 0.09 0.09 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( -1.909 0.000 4.889) 5.248 2.516 ( 3.397 -0.000 1.798) 3.843 2.958 ( -4.549 0.000 7.323) 8.621 3.198 ( -2.275 0.000 -7.574) 7.908 3.659 ( -9.715 0.000 6.029) 11.434 5.292 ( -2.524 0.000 -1.695) 3.040 5.314 ( 7.402 -0.000 -3.659) 8.258 6.293 ( 6.855 -0.000 -0.093) 6.855 6.616 ( -6.562 0.000 -1.315) 6.693 7.014 ( 8.942 -0.000 0.383) 8.950 7.742 ( 1.363 -0.000 6.621) 6.760 8.095 ( -14.747 0.000 -3.101) 15.069 8.435 ( -4.598 0.000 7.731) 8.995 11.867 ( 7.767 -0.000 3.010) 8.330 14.783 ( 0.305 -0.000 -0.244) 0.391 15.519 ( -0.698 0.000 -2.108) 2.221 16.500 ( 0.798 -0.000 -0.628) 1.015 17.787 ( -2.662 0.000 -4.190) 4.964======================= Grid point 739 (379/468) =======================q-point: ( 0.18 0.09 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( -3.010 -16.571 3.044) 17.115 2.543 ( 3.074 3.542 0.126) 4.692 2.902 ( -7.406 -2.614 2.052) 8.118 3.185 ( -4.528 -6.162 -7.701) 10.853 3.530 ( -7.785 1.752 7.790) 11.152 5.174 ( -1.312 8.294 -2.713) 8.825 5.468 ( 5.967 -6.332 -2.010) 8.930 6.390 ( 8.705 2.672 0.695) 9.133 6.551 ( -4.618 -2.687 -0.993) 5.434 7.119 ( 8.486 2.237 0.171) 8.778 7.793 ( 1.364 -1.164 7.249) 7.468 7.852 ( -19.479 -1.316 -5.026) 20.160 8.325 ( -3.073 10.416 10.895) 15.383 12.013 ( 10.857 -0.944 4.580) 11.821 14.610 ( -0.805 20.308 -2.686) 20.501 15.487 ( -1.480 1.630 -1.818) 2.855 16.697 ( 1.184 -22.729 -0.263) 22.762 17.723 ( -4.264 1.028 -4.457) 6.254======================= Grid point 740 (380/468) =======================q-point: ( 0.27 0.09 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.086 ( -4.921 -20.688 -0.322) 21.268 2.488 ( 0.013 4.994 -2.367) 5.526 2.841 ( -8.929 -3.975 -3.110) 10.256 3.199 ( -5.875 -6.943 -2.770) 9.508 3.481 ( -1.290 -2.027 8.656) 8.983 5.026 ( -0.256 9.163 -5.857) 10.878 5.641 ( 5.012 -7.645 -0.663) 9.165 6.426 ( 4.272 4.038 1.625) 6.099 6.581 ( 2.024 -2.981 -0.473) 3.634 7.172 ( 6.111 4.522 -1.056) 7.676 7.540 ( -19.673 4.073 0.539) 20.098 7.888 ( 1.861 -4.463 4.027) 6.293 8.119 ( -2.593 14.613 9.558) 17.653 12.184 ( 10.459 -0.682 4.150) 11.273 14.253 ( -1.056 24.512 -3.633) 24.803 15.433 ( -1.870 2.094 -0.959) 2.967 17.095 ( 1.008 -28.201 -0.789) 28.230 17.633 ( -4.531 1.545 -3.666) 6.029======================= Grid point 741 (381/468) =======================q-point: ( 0.36 0.09 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.134 ( -9.724 -0.321 -8.006) 12.599 2.541 ( 0.561 -12.989 1.151) 13.052 2.763 ( -7.617 -2.319 -3.961) 8.893 3.235 ( -2.174 -6.050 4.569) 7.887 3.558 ( 0.825 -5.535 4.624) 7.259 4.888 ( 1.329 8.815 -9.934) 13.347 5.817 ( 3.426 -8.812 0.513) 9.468 6.426 ( 2.407 2.760 1.883) 4.118 6.645 ( 3.281 -0.246 0.244) 3.299 7.074 ( -11.033 8.854 -0.897) 14.175 7.285 ( -2.242 5.610 2.475) 6.528 7.912 ( -1.528 11.217 6.573) 13.091 7.986 ( 2.610 -3.560 3.238) 5.475 12.313 ( 6.930 0.500 2.331) 7.329 13.903 ( -0.962 20.479 -3.309) 20.767 15.379 ( -1.431 2.038 0.373) 2.518 17.433 ( -4.102 -14.001 -6.346) 15.910 17.605 ( 1.245 -9.102 2.446) 9.507======================= Grid point 742 (382/468) =======================q-point: (-0.55 0.09 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( -7.456 3.046 -6.578) 10.399 2.682 ( -7.958 -5.189 -1.252) 9.582 2.759 ( 3.184 -8.019 0.731) 8.659 3.341 ( 2.051 -7.471 5.385) 9.435 3.649 ( 0.600 -4.111 2.966) 5.104 4.770 ( 2.539 7.922 -13.334) 15.716 5.978 ( 1.616 -7.978 1.074) 8.210 6.390 ( -6.803 0.881 -1.206) 6.965 6.655 ( 4.056 9.457 4.355) 11.174 6.779 ( -10.882 1.280 1.885) 11.118 7.247 ( 4.414 4.746 -0.167) 6.483 7.801 ( 1.709 5.634 3.409) 6.804 8.072 ( 3.402 -1.730 3.269) 5.025 12.360 ( 1.809 1.646 0.296) 2.463 13.641 ( -0.792 13.285 -2.317) 13.509 15.342 ( -0.437 1.557 1.672) 2.326 17.419 ( -3.812 -0.932 -3.698) 5.392 17.866 ( 2.622 -14.739 0.752) 14.989======================= Grid point 743 (383/468) =======================q-point: (-0.45 0.09 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( -1.010 -0.321 -0.804) 1.330 2.644 ( -4.285 -2.131 1.230) 4.941 2.891 ( 2.934 -3.208 1.696) 4.667 3.519 ( 5.285 -8.586 2.234) 10.327 3.700 ( 0.659 -1.011 3.797) 3.984 4.676 ( 2.853 6.123 -14.802) 16.270 6.037 ( -6.963 3.230 1.596) 7.840 6.191 ( -12.492 -3.872 -5.117) 14.044 6.612 ( 5.595 3.355 8.911) 11.044 6.764 ( -2.496 -4.381 0.337) 5.053 7.258 ( 4.871 1.738 -1.253) 5.321 7.799 ( 4.493 2.106 2.797) 5.696 8.143 ( 5.188 0.433 2.375) 5.722 12.322 ( -3.040 2.060 -1.247) 3.878 13.496 ( -0.593 4.936 -1.087) 5.089 15.330 ( 0.619 0.786 2.479) 2.673 17.393 ( -0.964 -0.682 -0.249) 1.207 18.044 ( 1.864 -5.533 -1.544) 6.040======================= Grid point 744 (384/468) =======================q-point: (-0.36 0.09 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 4.016 -4.178 4.332) 7.235 2.633 ( -0.441 0.341 4.349) 4.384 2.940 ( 3.581 2.762 3.108) 5.488 3.690 ( 0.073 -6.069 -4.124) 7.338 3.731 ( 7.730 3.233 7.292) 11.108 4.629 ( 2.709 0.536 -13.276) 13.560 5.739 ( -18.086 5.510 -2.554) 19.078 6.212 ( -0.847 -5.405 -1.969) 5.815 6.700 ( 2.326 -3.949 7.611) 8.885 6.783 ( -0.957 -1.035 0.746) 1.595 7.341 ( 3.483 -6.378 -2.172) 7.585 7.848 ( 3.958 0.739 3.132) 5.101 8.218 ( 8.005 1.747 0.710) 8.224 12.223 ( -6.427 1.921 -2.438) 7.137 13.481 ( -0.166 -3.726 0.346) 3.746 15.346 ( 1.553 -0.116 2.733) 3.146 17.409 ( 1.288 -0.472 3.021) 3.318 18.066 ( 1.283 4.493 -3.950) 6.118======================= Grid point 745 (385/468) =======================q-point: (-0.27 0.09 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.082 ( 4.421 -6.237 6.007) 9.723 2.608 ( 1.949 7.857 5.751) 9.930 2.945 ( 5.057 4.668 6.306) 9.334 3.705 ( -1.085 0.295 4.216) 4.363 3.776 ( 6.701 8.001 -4.111) 11.217 4.715 ( 4.055 -9.586 -8.875) 13.678 5.444 ( -15.104 2.555 -4.445) 15.950 6.268 ( -0.359 -3.354 -1.326) 3.624 6.749 ( 2.650 3.899 1.616) 4.984 6.812 ( -1.643 -5.230 5.183) 7.545 7.525 ( -0.223 -15.590 -0.985) 15.623 7.888 ( 2.866 0.540 2.950) 4.149 8.312 ( 8.184 0.771 -1.861) 8.429 12.091 ( -7.836 1.895 -3.444) 8.767 13.602 ( 0.676 -12.344 1.908) 12.509 15.385 ( 2.204 -0.945 2.406) 3.397 17.432 ( 1.925 2.828 5.823) 6.754 17.952 ( 1.321 11.012 -6.578) 12.895======================= Grid point 746 (386/468) =======================q-point: (-0.18 0.09 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.234 ( 3.250 -5.270 5.811) 8.491 2.453 ( 0.987 17.326 4.907) 18.035 2.982 ( 5.645 3.389 9.679) 11.706 3.624 ( 3.591 14.304 -4.295) 15.360 3.742 ( -2.526 -1.986 4.533) 5.556 4.942 ( 4.281 -13.967 -5.497) 15.608 5.252 ( -7.766 0.521 -6.560) 10.179 6.281 ( -1.119 0.114 -0.304) 1.165 6.738 ( 4.262 3.300 0.629) 5.426 6.845 ( -2.999 -2.231 2.655) 4.584 7.709 ( -3.462 -9.500 6.100) 11.808 7.971 ( 4.210 -7.171 0.374) 8.324 8.393 ( 2.580 -2.306 -5.044) 6.116 11.952 ( -6.842 2.186 -3.748) 8.102 13.859 ( 1.680 -20.192 3.034) 20.487 15.437 ( 2.209 -1.446 1.382) 2.980 17.342 ( 0.755 15.884 5.627) 16.869 17.823 ( 2.100 5.992 -6.975) 9.433======================= Grid point 747 (387/468) =======================q-point: (-0.09 0.09 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.153 ( 1.276 22.598 6.235) 23.477 2.376 ( 1.175 -4.919 3.480) 6.139 3.011 ( 2.443 3.557 10.388) 11.248 3.439 ( 1.552 13.109 -7.229) 15.050 3.756 ( -4.701 -3.987 8.760) 10.711 5.120 ( -4.175 -8.918 -2.841) 10.249 5.235 ( 6.742 -2.825 -8.512) 11.220 6.244 ( -0.636 2.338 0.606) 2.497 6.784 ( 5.536 0.219 0.586) 5.571 6.807 ( -4.343 0.256 -0.612) 4.393 7.740 ( -1.190 0.589 8.702) 8.803 8.167 ( 3.595 -8.563 4.139) 10.167 8.419 ( -7.111 -7.758 -7.999) 13.219 11.842 ( -3.208 2.226 -2.574) 4.677 14.222 ( 2.182 -24.877 3.100) 25.164 15.486 ( 1.437 -1.516 -0.131) 2.093 17.037 ( 0.233 26.109 1.902) 26.180 17.804 ( 1.359 -0.038 -4.468) 4.671======================= Grid point 750 (388/468) =======================q-point: ( 0.18 0.18 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( -3.951 0.000 2.591) 4.725 2.620 ( 3.261 -0.000 -0.718) 3.339 2.735 ( -13.100 0.000 -6.126) 14.462 3.060 ( -5.102 0.000 -7.559) 9.120 3.479 ( -3.448 0.000 10.998) 11.526 5.205 ( -2.983 0.000 -2.395) 3.825 5.485 ( 5.397 -0.000 -0.734) 5.447 6.457 ( -4.884 0.000 -0.305) 4.894 6.567 ( 12.106 -0.000 1.281) 12.174 7.258 ( 8.675 -0.000 0.637) 8.698 7.554 ( -21.036 0.000 -4.228) 21.456 7.823 ( 2.882 -0.000 4.962) 5.738 8.384 ( -3.550 0.000 14.584) 15.010 12.176 ( 11.795 -0.000 5.736) 13.116 14.737 ( -2.794 0.000 -5.504) 6.172 15.486 ( -0.758 0.000 -0.359) 0.838 16.532 ( 1.615 -0.000 -0.196) 1.627 17.657 ( -5.101 0.000 -4.485) 6.792======================= Grid point 751 (389/468) =======================q-point: ( 0.27 0.18 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -4.671 -15.727 1.164) 16.448 2.481 ( -12.115 3.429 -9.193) 15.589 2.672 ( -3.684 -3.324 -4.127) 6.454 3.023 ( -3.812 -5.595 -5.916) 8.990 3.494 ( 1.672 -0.292 12.552) 12.666 5.115 ( -1.620 5.782 -4.159) 7.304 5.596 ( 4.043 -5.596 0.011) 6.904 6.407 ( -3.850 -1.401 0.403) 4.117 6.698 ( 6.613 1.746 1.179) 6.941 7.262 ( -10.412 3.892 -1.166) 11.177 7.368 ( 2.885 0.789 0.419) 3.021 7.897 ( 4.491 -2.070 3.914) 6.306 8.291 ( -3.637 9.693 14.830) 18.086 12.333 ( 9.640 0.551 4.903) 10.829 14.535 ( -3.208 17.964 -6.542) 19.385 15.455 ( -0.168 3.048 1.268) 3.306 16.732 ( 1.445 -21.949 -0.513) 22.003 17.576 ( -4.639 0.397 -3.857) 6.046======================= Grid point 752 (390/468) =======================q-point: ( 0.36 0.18 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( -7.745 -12.149 -4.380) 15.059 2.322 ( -9.656 -8.297 -5.535) 13.882 2.646 ( -4.131 -3.066 -4.425) 6.785 3.086 ( -1.204 -8.616 -3.507) 9.380 3.571 ( 3.923 -1.280 10.991) 11.740 5.000 ( 0.390 7.161 -7.250) 10.198 5.740 ( 3.085 -7.427 0.455) 8.055 6.382 ( -4.827 -1.635 0.680) 5.141 6.657 ( -10.321 -0.863 -1.516) 10.468 7.112 ( 2.858 10.110 5.912) 12.055 7.394 ( 5.829 4.896 -0.015) 7.612 8.004 ( 4.672 -1.313 1.448) 5.064 8.108 ( -0.516 12.206 13.699) 18.355 12.423 ( 5.016 2.232 2.747) 6.139 14.182 ( -2.721 21.965 -5.848) 22.892 15.414 ( 0.581 3.386 2.618) 4.319 17.098 ( -0.298 -24.622 -1.830) 24.692 17.529 ( -1.777 -2.418 -1.867) 3.534======================= Grid point 753 (391/468) =======================q-point: (-0.55 0.18 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( -6.361 -1.792 -6.862) 9.527 2.409 ( -7.961 -15.352 -1.243) 17.338 2.682 ( 0.043 -8.025 -1.781) 8.220 3.215 ( 0.910 -10.413 -2.774) 10.815 3.665 ( 3.726 -1.344 9.276) 10.087 4.894 ( 2.190 7.569 -10.306) 12.973 5.889 ( 2.056 -8.099 -0.171) 8.358 6.238 ( -16.075 2.991 -1.202) 16.395 6.577 ( -6.728 -6.975 0.600) 9.709 6.999 ( 6.439 18.142 10.445) 21.902 7.389 ( 5.441 6.098 -0.980) 8.231 7.935 ( 0.589 7.007 3.756) 7.971 8.161 ( 9.909 0.889 6.762) 12.029 12.414 ( -0.258 3.840 0.500) 3.881 13.843 ( -2.221 18.248 -4.479) 18.921 15.387 ( 1.459 3.073 3.436) 4.835 17.313 ( -2.478 -8.231 -1.382) 8.706 17.665 ( 2.196 -15.827 -1.086) 16.015======================= Grid point 754 (392/468) =======================q-point: (-0.45 0.18 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( -0.112 -2.878 -2.271) 3.668 2.496 ( -4.794 -10.340 0.187) 11.399 2.837 ( 1.800 -9.519 0.444) 9.698 3.394 ( 2.081 -12.053 -3.555) 12.737 3.746 ( 3.411 -0.862 9.154) 9.807 4.797 ( 3.268 7.942 -12.544) 15.203 5.909 ( -20.320 3.075 -4.829) 21.111 6.032 ( 1.881 -4.904 2.226) 5.705 6.632 ( -2.460 -7.151 2.248) 7.889 6.837 ( 3.600 14.428 9.551) 17.673 7.364 ( 3.889 5.701 -2.039) 7.196 7.900 ( 2.556 2.719 2.683) 4.596 8.301 ( 12.786 3.014 5.615) 14.286 12.319 ( -4.224 4.487 -1.139) 6.267 13.594 ( -1.702 11.332 -2.923) 11.826 15.379 ( 2.139 2.421 3.630) 4.859 17.363 ( -0.053 -2.925 1.985) 3.535 17.918 ( 1.434 -13.955 -3.180) 14.385======================= Grid point 755 (393/468) =======================q-point: (-0.36 0.18 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 2.510 -5.254 1.025) 5.912 2.603 ( 1.310 -7.176 4.084) 8.360 2.967 ( 1.676 -4.712 0.995) 5.099 3.562 ( -1.105 -9.315 -2.343) 9.669 3.845 ( 6.127 -2.488 8.040) 10.410 4.704 ( 3.288 7.187 -13.684) 15.802 5.570 ( -17.067 5.480 -3.635) 18.290 6.133 ( 0.866 -5.309 -0.295) 5.388 6.691 ( -0.264 -2.428 5.632) 6.139 6.779 ( 1.981 0.785 4.978) 5.415 7.327 ( 0.854 2.925 -3.707) 4.799 7.910 ( 1.684 1.082 2.317) 3.062 8.432 ( 13.187 5.192 4.618) 14.905 12.181 ( -5.797 4.311 -2.229) 7.560 13.467 ( -0.987 3.082 -1.350) 3.507 15.390 ( 2.546 1.429 3.312) 4.415 17.419 ( 1.795 -2.152 4.739) 5.506 18.062 ( 0.405 -5.232 -5.211) 7.395======================= Grid point 756 (394/468) =======================q-point: (-0.27 0.18 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( 2.028 -6.960 1.870) 7.486 2.725 ( 4.703 -0.560 6.809) 8.294 3.027 ( 1.551 -0.896 1.930) 2.633 3.615 ( -5.387 -5.176 3.718) 8.345 3.965 ( 5.815 2.748 2.559) 6.922 4.661 ( 3.341 -0.896 -12.826) 13.284 5.310 ( -9.040 3.757 -5.260) 11.113 6.206 ( -0.215 -4.353 -0.562) 4.395 6.756 ( 1.066 -4.041 5.359) 6.796 6.826 ( 2.687 -0.113 5.135) 5.796 7.307 ( -3.660 -5.342 -5.522) 8.511 7.919 ( 0.595 0.339 1.713) 1.845 8.512 ( 9.350 6.602 3.022) 11.838 12.041 ( -4.799 4.036 -2.825) 6.878 13.477 ( -0.064 -5.691 0.069) 5.692 15.418 ( 2.447 0.327 2.394) 3.439 17.485 ( 2.372 -1.021 6.765) 7.241 18.057 ( -0.334 4.069 -7.278) 8.345======================= Grid point 757 (395/468) =======================q-point: (-0.18 0.18 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.169 ( 1.768 -7.810 1.923) 8.236 2.710 ( 2.499 11.793 5.037) 13.065 3.069 ( 1.729 -0.591 5.142) 5.457 3.609 ( -7.842 -5.469 8.121) 12.544 3.878 ( 0.712 13.882 -3.155) 14.254 4.780 ( 1.983 -10.932 -8.726) 14.127 5.219 ( 3.190 1.102 -7.353) 8.091 6.246 ( -1.280 -2.587 0.045) 2.887 6.818 ( 1.529 -0.849 0.480) 1.813 6.854 ( 3.064 4.052 6.118) 7.952 7.404 ( -6.199 -18.981 -0.559) 19.975 7.928 ( 0.026 -1.085 -0.126) 1.092 8.497 ( 2.142 7.050 1.010) 7.437 11.933 ( -1.645 3.990 -2.508) 4.992 13.628 ( 0.791 -14.365 0.928) 14.417 15.452 ( 1.610 -0.580 0.856) 1.914 17.518 ( 2.089 4.108 8.417) 9.596 17.926 ( -0.960 9.050 -9.639) 13.257======================= Grid point 758 (396/468) =======================q-point: (-0.09 0.18 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.310 ( 2.072 -7.410 1.618) 7.862 2.495 ( 0.045 20.609 3.572) 20.917 3.079 ( -1.137 2.092 7.228) 7.610 3.593 ( -10.103 -4.688 6.882) 13.092 3.645 ( -0.451 13.765 -4.083) 14.365 4.928 ( -1.205 -10.821 -5.368) 12.139 5.319 ( 11.730 -0.786 -8.018) 14.231 6.250 ( -1.019 -0.617 0.990) 1.549 6.779 ( -2.753 4.341 0.747) 5.194 6.882 ( 5.833 0.615 -0.114) 5.867 7.633 ( -4.069 -17.762 10.583) 21.073 7.967 ( -1.376 -7.392 -3.966) 8.501 8.373 ( -5.947 6.454 -0.753) 8.808 11.880 ( 2.826 3.688 -0.818) 4.718 13.906 ( 1.134 -21.802 0.791) 21.846 15.478 ( 0.239 -1.152 -0.834) 1.442 17.395 ( 1.474 19.596 5.781) 20.484 17.799 ( -1.739 2.004 -8.197) 8.616======================= Grid point 762 (397/468) =======================q-point: ( 0.27 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( -4.335 0.000 1.958) 4.757 2.261 ( -16.225 0.000 -12.891) 20.722 2.591 ( -6.135 0.000 -5.979) 8.566 2.947 ( 0.453 -0.000 -4.659) 4.681 3.557 ( 3.873 -0.000 12.465) 13.053 5.122 ( -2.107 0.000 -3.685) 4.245 5.614 ( 4.731 -0.000 -0.968) 4.829 6.348 ( -3.258 0.000 0.798) 3.354 6.650 ( -14.720 0.000 -1.479) 14.794 7.248 ( 6.819 -0.000 4.927) 8.413 7.479 ( 7.293 -0.000 0.882) 7.346 7.968 ( 7.272 -0.000 2.700) 7.757 8.336 ( -4.591 0.000 16.066) 16.709 12.460 ( 6.357 -0.000 3.923) 7.470 14.599 ( -4.936 0.000 -8.571) 9.891 15.503 ( 1.760 -0.000 3.625) 4.029 16.582 ( 1.952 -0.000 0.014) 1.952 17.512 ( -3.704 0.000 -3.515) 5.107======================= Grid point 763 (398/468) =======================q-point: ( 0.36 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( -4.111 -12.697 0.624) 13.360 2.062 ( -11.655 -3.881 -10.240) 15.992 2.496 ( -8.529 -4.190 -7.271) 11.965 2.993 ( 2.213 -4.138 -3.601) 5.915 3.640 ( 4.235 -0.367 11.073) 11.861 5.063 ( -0.774 3.525 -5.198) 6.328 5.704 ( 4.023 -3.909 -2.581) 6.175 6.300 ( -7.240 1.364 0.830) 7.414 6.420 ( -15.501 -3.314 0.041) 15.851 7.362 ( 10.724 5.736 9.032) 15.149 7.547 ( 6.380 3.604 0.624) 7.354 8.082 ( 6.388 1.082 0.897) 6.540 8.267 ( 0.522 5.817 15.232) 16.313 12.506 ( 1.426 1.972 1.789) 3.020 14.395 ( -4.668 14.985 -8.060) 17.644 15.504 ( 2.699 4.590 4.811) 7.176 16.768 ( 1.295 -19.812 -0.235) 19.855 17.475 ( -1.480 -1.192 -2.419) 3.076======================= Grid point 764 (399/468) =======================q-point: ( 0.45 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( -1.398 -6.707 -3.564) 7.723 2.062 ( -7.708 -15.590 -3.085) 17.662 2.496 ( -5.202 -11.621 -5.607) 13.912 3.101 ( 2.353 -7.391 -3.286) 8.424 3.721 ( 3.324 -0.603 9.921) 10.481 4.990 ( 1.042 4.922 -7.414) 8.960 5.793 ( -1.691 -5.139 -7.307) 9.092 6.078 ( -13.206 3.194 4.588) 14.340 6.407 ( -3.243 -7.045 1.644) 7.928 7.354 ( 5.854 14.927 12.098) 20.086 7.557 ( 5.500 6.364 0.090) 8.412 8.022 ( -1.822 6.165 2.998) 7.093 8.370 ( 14.482 1.762 8.418) 16.844 12.451 ( -3.128 3.986 -0.336) 5.078 14.068 ( -3.590 19.096 -6.184) 20.391 15.482 ( 2.957 4.779 4.746) 7.356 17.087 ( 0.051 -20.117 0.800) 20.133 17.518 ( 1.143 -6.836 -2.326) 7.310======================= Grid point 765 (400/468) =======================q-point: (-0.45 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( 1.903 -3.174 -2.889) 4.695 2.229 ( -3.622 -18.029 0.054) 18.389 2.653 ( -1.672 -16.002 -2.832) 16.336 3.251 ( 1.576 -10.150 -2.911) 10.676 3.790 ( 2.642 -1.093 9.423) 9.847 4.919 ( 2.480 6.103 -9.398) 11.477 5.668 ( -16.141 0.711 -7.025) 17.617 6.019 ( 1.679 -1.831 4.186) 4.868 6.496 ( -0.959 -8.455 1.589) 8.657 7.158 ( 1.787 20.742 12.040) 24.049 7.513 ( 3.448 7.861 -0.954) 8.637 7.957 ( 0.209 2.445 1.990) 3.160 8.558 ( 15.213 3.278 6.320) 16.796 12.322 ( -5.315 4.990 -1.713) 7.489 13.758 ( -2.491 16.060 -4.105) 16.762 15.468 ( 2.875 3.957 4.104) 6.385 17.300 ( 0.702 -8.649 4.324) 9.695 17.701 ( 1.214 -15.654 -4.866) 16.438======================= Grid point 766 (401/468) =======================q-point: (-0.36 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 1.436 -4.544 -1.741) 5.074 2.473 ( 2.784 -15.516 3.606) 16.171 2.845 ( -1.279 -12.884 -2.087) 13.115 3.395 ( -2.410 -9.766 -0.166) 10.061 3.881 ( 3.867 -3.566 7.718) 9.340 4.836 ( 2.712 7.861 -11.024) 13.809 5.427 ( -11.466 3.103 -4.627) 12.747 6.087 ( 1.381 -3.120 1.180) 3.610 6.619 ( 0.919 -7.806 0.972) 7.919 6.929 ( 0.900 14.504 9.807) 17.532 7.423 ( 1.034 8.407 -2.117) 8.731 7.942 ( 0.259 1.201 1.800) 2.180 8.691 ( 11.071 5.321 4.526) 13.091 12.176 ( -4.336 5.045 -2.290) 7.036 13.538 ( -1.435 9.567 -2.261) 9.935 15.463 ( 2.485 2.831 3.152) 4.911 17.413 ( 1.906 -3.996 6.244) 7.654 17.915 ( -0.184 -13.200 -6.424) 14.681======================= Grid point 767 (402/468) =======================q-point: (-0.27 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( 1.109 -6.512 -1.062) 6.690 2.731 ( 5.086 -10.021 6.289) 12.877 2.963 ( -2.190 -7.515 -2.789) 8.310 3.445 ( -7.828 -6.360 6.230) 11.855 4.011 ( 2.743 -4.220 4.125) 6.507 4.727 ( 2.035 7.144 -12.975) 14.951 5.290 ( 0.050 2.991 -4.767) 5.628 6.145 ( -0.097 -3.420 0.347) 3.439 6.732 ( 2.374 -4.287 1.236) 5.054 6.847 ( 0.828 0.700 7.760) 7.835 7.292 ( -2.023 8.023 -3.743) 9.081 7.931 ( -0.249 0.720 1.647) 1.815 8.710 ( 3.557 7.044 2.265) 8.210 12.063 ( -0.927 4.872 -2.229) 5.437 13.442 ( -0.438 1.495 -0.868) 1.783 15.464 ( 1.565 1.579 1.755) 2.833 17.500 ( 1.995 -2.724 6.702) 7.505 18.026 ( -1.116 -4.943 -7.158) 8.771======================= Grid point 768 (403/468) =======================q-point: (-0.18 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( 1.434 -8.056 -0.658) 8.209 2.860 ( 2.226 3.001 4.300) 5.697 3.022 ( -2.000 -6.898 -1.249) 7.290 3.414 ( -10.665 -5.175 11.663) 16.630 4.012 ( -2.434 6.027 0.492) 6.518 4.689 ( 2.401 -2.165 -13.355) 13.741 5.328 ( 11.448 1.636 -5.338) 12.737 6.184 ( -1.316 -3.189 0.494) 3.485 6.825 ( 2.912 -2.846 -0.026) 4.072 6.931 ( 2.253 -4.862 10.283) 11.595 7.145 ( -5.967 0.853 -5.819) 8.378 7.923 ( -0.437 0.142 1.248) 1.330 8.593 ( -4.849 8.081 -0.062) 9.425 12.005 ( 3.199 4.776 -1.515) 5.944 13.480 ( 0.330 -7.082 -0.144) 7.091 15.464 ( 0.121 0.415 0.030) 0.434 17.570 ( 1.461 -1.635 6.508) 6.867 17.994 ( -1.729 4.542 -7.722) 9.124======================= Grid point 769 (404/468) =======================q-point: (-0.09 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.218 ( 1.359 -8.703 -0.976) 8.862 2.744 ( -0.952 13.420 0.942) 13.487 3.062 ( -3.387 -1.971 1.802) 4.314 3.374 ( -10.458 -6.072 12.779) 17.593 3.818 ( -3.233 13.015 -3.297) 13.810 4.772 ( 1.197 -8.233 -10.445) 13.353 5.494 ( 15.630 1.172 -5.527) 16.620 6.207 ( -1.351 -2.944 1.382) 3.522 6.833 ( -1.367 5.816 -1.202) 6.094 6.963 ( 3.733 1.713 0.410) 4.127 7.261 ( -4.510 -23.080 7.514) 24.688 7.922 ( -0.315 -0.562 0.210) 0.677 8.359 ( -11.336 8.219 -1.658) 14.100 12.006 ( 6.729 4.228 0.008) 7.947 13.649 ( 0.606 -15.261 -0.319) 15.277 15.455 ( -1.363 -0.573 -1.414) 2.046 17.604 ( 1.419 2.403 7.129) 7.655 17.827 ( -2.959 10.924 -9.449) 14.743======================= Grid point 774 (405/468) =======================q-point: ( 0.36 0.36 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( -2.475 0.000 2.915) 3.824 1.887 ( -6.445 0.000 -9.772) 11.706 2.305 ( -10.843 0.000 -8.925) 14.044 2.994 ( 2.651 -0.000 -3.139) 4.109 3.713 ( 3.499 -0.000 10.246) 10.827 5.064 ( -0.929 0.000 -4.727) 4.818 5.713 ( 1.740 -0.000 -8.254) 8.436 6.140 ( -16.430 0.000 4.957) 17.162 6.286 ( -1.674 0.000 1.253) 2.091 7.559 ( 8.555 -0.000 10.799) 13.777 7.652 ( 4.983 -0.000 0.982) 5.079 8.153 ( -0.953 0.000 3.840) 3.956 8.402 ( 11.827 -0.000 11.035) 16.175 12.513 ( -2.860 0.000 -0.081) 2.861 14.420 ( -5.280 0.000 -8.246) 9.791 15.603 ( 3.742 -0.000 5.850) 6.944 16.632 ( 1.698 -0.000 -0.051) 1.699 17.451 ( 0.022 -0.000 -1.605) 1.605======================= Grid point 775 (406/468) =======================q-point: ( 0.45 0.36 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 0.780 -13.681 2.965) 14.021 1.833 ( -3.058 -2.608 -6.922) 8.004 2.219 ( -8.496 -10.298 -8.358) 15.751 3.046 ( 1.895 -3.716 -2.789) 5.017 3.774 ( 2.426 -0.177 9.812) 10.109 5.032 ( 0.054 1.838 -5.584) 5.879 5.655 ( -9.640 -0.650 -10.948) 14.601 6.012 ( -2.442 0.478 7.681) 8.074 6.301 ( -1.034 -4.064 1.264) 4.380 7.615 ( 4.693 8.140 11.531) 14.874 7.697 ( 3.996 3.067 2.314) 5.544 8.076 ( -3.766 4.986 4.157) 7.505 8.618 ( 16.353 0.931 6.634) 17.672 12.434 ( -5.659 2.261 -1.706) 6.328 14.239 ( -4.196 12.779 -6.410) 14.899 15.616 ( 3.520 5.649 5.190) 8.441 16.801 ( 1.105 -18.295 0.405) 18.333 17.472 ( 1.318 -2.081 -1.251) 2.763======================= Grid point 776 (407/468) =======================q-point: (-0.45 0.36 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( 2.626 -2.071 -3.050) 4.527 1.913 ( -0.583 -20.686 1.085) 20.723 2.336 ( -5.028 -19.164 -6.248) 20.775 3.136 ( 0.430 -6.983 -1.907) 7.251 3.827 ( 1.815 -0.670 9.482) 9.677 4.993 ( 1.188 3.040 -6.818) 7.559 5.474 ( -11.924 0.696 -5.925) 13.333 6.041 ( 2.996 -0.396 3.015) 4.269 6.380 ( 0.367 -7.247 0.773) 7.297 7.493 ( 1.299 18.159 13.388) 22.598 7.661 ( 1.901 7.237 0.476) 7.497 7.991 ( -1.002 2.477 1.826) 3.237 8.806 ( 12.633 2.681 4.348) 13.627 12.308 ( -5.158 3.685 -2.277) 6.736 13.958 ( -2.696 17.088 -4.090) 17.776 15.583 ( 2.665 5.588 3.792) 7.260 17.110 ( 0.882 -19.998 3.079) 20.253 17.544 ( 1.122 -6.502 -3.411) 7.428======================= Grid point 777 (408/468) =======================q-point: (-0.36 0.36 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( 0.306 -3.248 -3.621) 4.874 2.265 ( 4.422 -20.461 3.526) 21.228 2.555 ( -4.609 -20.321 -4.716) 21.364 3.231 ( -2.806 -7.823 1.003) 8.371 3.891 ( 1.936 -2.496 7.505) 8.143 4.936 ( 0.714 5.261 -8.159) 9.734 5.337 ( -4.354 0.333 -3.080) 5.344 6.087 ( 2.175 -0.421 0.778) 2.348 6.517 ( 2.121 -8.980 -0.398) 9.236 7.226 ( 0.123 21.508 11.205) 24.252 7.558 ( 0.108 8.917 -1.075) 8.982 7.964 ( -0.260 1.411 1.717) 2.238 8.881 ( 4.933 4.726 1.905) 7.092 12.198 ( -1.484 4.267 -1.909) 4.904 13.690 ( -1.460 14.614 -2.148) 14.843 15.547 ( 1.522 4.234 2.345) 5.073 17.361 ( 1.729 -10.098 7.130) 12.482 17.684 ( -0.787 -13.990 -7.500) 15.893======================= Grid point 778 (409/468) =======================q-point: (-0.27 0.36 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( 0.431 -5.601 -2.763) 6.260 2.596 ( 2.709 -17.174 2.755) 17.603 2.747 ( -3.814 -14.936 -2.954) 15.696 3.274 ( -6.279 -5.560 6.734) 10.756 3.973 ( 0.395 -4.256 3.495) 5.521 4.824 ( -0.448 7.291 -10.359) 12.676 5.358 ( 7.551 -0.751 -1.708) 7.778 6.117 ( 0.935 -0.828 -0.068) 1.251 6.676 ( 3.004 -8.120 -1.748) 8.833 6.975 ( -0.381 14.506 8.566) 16.851 7.402 ( -2.016 10.482 -1.845) 10.832 7.942 ( -0.636 1.204 1.742) 2.211 8.807 ( -3.864 6.566 -0.583) 7.641 12.143 ( 3.067 4.606 -1.286) 5.681 13.505 ( -0.483 8.421 -0.795) 8.473 15.510 ( 0.044 2.886 0.788) 2.992 17.489 ( 1.391 -3.881 6.317) 7.543 17.860 ( -1.606 -13.260 -7.131) 15.141======================= Grid point 779 (410/468) =======================q-point: (-0.18 0.36 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 0.190 -7.832 -2.400) 8.194 2.813 ( -4.908 -13.143 -4.695) 14.795 2.872 ( 1.471 -6.001 3.800) 7.253 3.260 ( -7.071 -3.006 12.624) 14.778 4.003 ( -3.087 -0.810 0.812) 3.293 4.708 ( 0.732 4.394 -13.634) 14.343 5.530 ( 16.138 0.010 -1.344) 16.194 6.136 ( -0.400 -1.233 -0.294) 1.329 6.811 ( 3.077 -5.163 -2.736) 6.604 6.867 ( -1.900 -0.068 7.133) 7.382 7.203 ( -3.329 11.030 -1.522) 11.622 7.921 ( -0.981 0.575 1.643) 1.998 8.597 ( -10.691 7.898 -2.398) 13.507 12.138 ( 6.125 4.756 -0.782) 7.794 13.437 ( 0.242 0.640 -0.129) 0.696 15.468 ( -1.529 1.613 -0.673) 2.322 17.553 ( -0.147 -2.816 3.188) 4.256 17.963 ( -1.047 -4.734 -4.698) 6.751======================= Grid point 780 (411/468) =======================q-point: (-0.09 0.36 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( -1.019 -9.290 -3.026) 9.823 2.823 ( -3.861 0.218 -4.443) 5.890 2.957 ( -2.458 -3.661 1.663) 4.713 3.243 ( -4.583 -2.235 16.596) 17.361 3.903 ( -4.695 6.922 -1.460) 8.491 4.686 ( 1.690 -3.032 -14.434) 14.846 5.749 ( 18.160 3.060 -2.097) 18.535 6.148 ( -1.255 -2.803 0.899) 3.200 6.868 ( -1.973 1.099 -3.986) 4.581 6.941 ( -3.495 -11.361 2.586) 12.164 7.049 ( 1.190 2.876 5.284) 6.133 7.904 ( -1.875 -0.261 0.873) 2.085 8.306 ( -12.838 8.433 -2.589) 15.577 12.165 ( 7.345 4.040 -0.087) 8.383 13.491 ( 0.512 -7.396 -0.288) 7.419 15.423 ( -2.585 0.355 -1.466) 2.993 17.581 ( -2.132 -2.781 -0.414) 3.528 17.940 ( 0.122 6.157 -1.970) 6.465======================= Grid point 786 (412/468) =======================q-point: (-0.55 -0.55 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( 1.982 -0.000 4.648) 5.053 1.813 ( 1.241 -0.000 -6.071) 6.197 1.991 ( -8.856 0.000 -9.277) 12.825 3.032 ( 0.775 -0.000 -2.481) 2.599 3.820 ( 1.537 -0.000 9.847) 9.966 5.032 ( 0.051 -0.000 -5.083) 5.083 5.484 ( -11.518 0.000 -6.754) 13.353 6.040 ( 3.609 -0.000 3.687) 5.159 6.267 ( -0.022 0.000 0.811) 0.811 7.751 ( 1.947 -0.000 0.819) 2.113 7.771 ( 4.037 -0.000 14.042) 14.611 8.064 ( -4.546 0.000 4.028) 6.074 8.845 ( 13.647 -0.000 3.706) 14.141 12.365 ( -5.719 0.000 -2.375) 6.192 14.270 ( -3.532 0.000 -4.964) 6.092 15.722 ( 2.972 -0.000 4.616) 5.490 16.668 ( 0.943 -0.000 -0.355) 1.008 17.476 ( 1.401 -0.000 -0.554) 1.507======================= Grid point 787 (413/468) =======================q-point: (-0.45 -0.55 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 4.132 -16.467 4.930) 17.679 1.784 ( -0.161 1.053 -4.924) 5.038 1.994 ( -5.576 -14.120 -8.432) 17.366 3.055 ( -0.550 -3.534 -1.789) 3.999 3.857 ( 0.861 -0.324 9.407) 9.452 5.019 ( 0.520 1.034 -5.371) 5.494 5.336 ( -7.995 -0.083 -2.097) 8.265 6.101 ( 4.858 0.798 0.207) 4.928 6.307 ( 1.244 -4.467 0.085) 4.638 7.726 ( 0.729 6.793 4.983) 8.456 7.780 ( 0.213 7.742 10.781) 13.274 8.004 ( -1.734 1.316 1.315) 2.544 8.977 ( 6.543 1.856 0.555) 6.824 12.289 ( -2.321 1.740 -1.749) 3.388 14.132 ( -2.199 11.737 -2.907) 12.291 15.708 ( 1.684 6.175 2.959) 7.051 16.827 ( 0.551 -18.498 0.338) 18.509 17.501 ( 0.527 -1.629 -1.266) 2.129======================= Grid point 788 (414/468) =======================q-point: (-0.36 -0.55 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( -0.294 -1.879 -4.246) 4.653 2.043 ( 5.757 -21.145 5.405) 22.572 2.155 ( -5.957 -21.050 -6.860) 22.927 3.101 ( -2.425 -5.485 0.171) 5.999 3.893 ( 0.140 -1.292 7.238) 7.354 4.979 ( -0.670 3.332 -5.947) 6.850 5.297 ( 0.649 -2.602 1.047) 2.878 6.139 ( 3.822 1.888 -1.046) 4.389 6.427 ( 2.995 -7.888 -1.415) 8.555 7.548 ( -1.344 19.041 11.896) 22.492 7.664 ( -1.718 7.335 -0.373) 7.543 7.983 ( -0.117 1.336 1.752) 2.206 8.962 ( -2.091 4.131 -2.364) 5.199 12.255 ( 2.702 2.952 -0.589) 4.045 13.896 ( -1.083 16.244 -1.116) 16.318 15.634 ( 0.120 5.860 1.263) 5.996 17.148 ( 0.910 -22.458 2.707) 22.639 17.530 ( -1.275 -3.993 -3.837) 5.683======================= Grid point 789 (415/468) =======================q-point: (-0.27 -0.55 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( -1.558 -4.399 -3.376) 5.760 2.348 ( -0.957 -17.492 -4.401) 18.062 2.454 ( 1.236 -22.316 4.802) 22.861 3.140 ( -3.797 -5.189 3.775) 7.456 3.925 ( -1.241 -2.515 3.498) 4.483 4.882 ( -1.499 5.752 -7.402) 9.493 5.436 ( 9.752 -5.695 2.669) 11.604 6.154 ( 3.410 2.192 -1.663) 4.382 6.590 ( 3.355 -8.812 -2.649) 9.794 7.246 ( -2.367 20.949 8.648) 22.787 7.507 ( -3.438 9.369 -1.469) 10.088 7.958 ( -0.598 1.901 1.870) 2.733 8.802 ( -9.018 6.286 -4.355) 11.824 12.267 ( 6.068 4.012 -0.074) 7.275 13.663 ( -0.252 13.971 0.200) 13.975 15.553 ( -1.473 4.374 -0.113) 4.617 17.440 ( 1.881 -9.899 6.944) 12.237 17.595 ( -3.155 -14.364 -8.482) 16.977======================= Grid point 790 (416/468) =======================q-point: (-0.18 -0.55 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( -2.578 -7.336 -2.798) 8.264 2.556 ( -1.179 -14.140 -3.043) 14.512 2.748 ( 1.048 -14.225 4.249) 14.883 3.169 ( -2.819 -3.766 8.315) 9.554 3.938 ( -2.873 -2.259 0.447) 3.682 4.758 ( -0.982 6.067 -10.715) 12.353 5.707 ( 14.907 -6.774 3.374) 16.718 6.161 ( 3.537 3.066 -2.426) 5.272 6.744 ( 2.281 -7.348 -3.189) 8.329 6.955 ( -4.022 14.013 5.648) 15.635 7.305 ( -4.454 10.335 -0.969) 11.296 7.923 ( -1.314 1.662 1.662) 2.693 8.540 ( -12.282 7.853 -4.921) 15.386 12.292 ( 6.428 4.591 -0.390) 7.908 13.505 ( 0.457 7.982 0.879) 8.043 15.470 ( -2.691 2.999 -0.974) 4.146 17.506 ( -1.640 -2.312 -0.029) 2.835 17.808 ( 0.058 -14.868 -1.972) 14.998======================= Grid point 791 (417/468) =======================q-point: (-0.09 -0.55 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( -3.144 -8.859 -2.781) 9.803 2.696 ( -1.126 -7.840 -2.148) 8.207 2.890 ( -1.902 -5.201 2.124) 5.931 3.224 ( 1.606 -2.525 12.801) 13.146 3.896 ( -4.332 1.753 -1.311) 4.853 4.665 ( 0.432 1.849 -14.237) 14.363 6.011 ( 14.525 -5.604 3.479) 15.952 6.140 ( 3.870 6.458 -2.869) 8.057 6.753 ( -7.793 0.081 2.028) 8.053 6.868 ( 0.657 -3.107 -2.178) 3.851 7.123 ( -2.021 6.557 1.967) 7.138 7.874 ( -3.330 1.615 0.401) 3.723 8.258 ( -9.870 7.536 -3.157) 12.813 12.307 ( 5.000 3.785 -0.711) 6.311 13.452 ( 0.745 0.759 0.666) 1.254 15.395 ( -2.980 1.562 -0.966) 3.500 17.502 ( -3.176 -2.269 -2.984) 4.914 17.963 ( 1.589 -4.774 0.517) 5.058======================= Grid point 798 (418/468) =======================q-point: (-0.45 -0.45 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( 2.025 -0.000 6.804) 7.099 1.790 ( -2.349 0.000 -5.306) 5.803 1.804 ( 0.491 -0.000 -7.887) 7.902 3.014 ( -1.340 0.000 -1.813) 2.255 3.878 ( -0.178 0.000 8.505) 8.507 5.026 ( 1.043 -0.000 -4.802) 4.914 5.252 ( -3.750 0.000 2.563) 4.542 6.188 ( 6.583 -0.000 -2.672) 7.105 6.289 ( 1.447 -0.000 -0.165) 1.457 7.760 ( -1.425 0.000 0.395) 1.479 7.861 ( -4.098 0.000 13.552) 14.158 8.005 ( 1.249 -0.000 2.469) 2.767 9.028 ( -0.671 0.000 -3.692) 3.752 12.300 ( 2.531 -0.000 -0.243) 2.542 14.194 ( -1.220 0.000 -1.174) 1.693 15.782 ( 0.345 -0.000 1.809) 1.842 16.678 ( -0.062 0.000 -0.799) 0.801 17.488 ( -0.636 0.000 -1.038) 1.217======================= Grid point 799 (419/468) =======================q-point: (-0.36 -0.45 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( -4.774 -5.915 -2.460) 7.990 1.755 ( -1.387 -13.300 1.390) 13.445 1.945 ( 7.626 -9.772 -1.563) 12.494 3.009 ( -2.126 -2.915 -1.197) 3.801 3.886 ( -1.304 -0.438 6.334) 6.481 5.011 ( 0.557 3.039 -4.324) 5.314 5.277 ( 2.861 -4.133 5.410) 7.385 6.237 ( 5.442 3.256 -2.634) 6.867 6.369 ( 3.728 -5.844 -2.103) 7.244 7.699 ( -3.311 4.623 1.011) 5.776 7.735 ( -7.223 8.083 8.063) 13.510 8.023 ( 1.482 2.210 4.339) 5.090 8.949 ( -5.585 3.328 -6.691) 9.329 12.352 ( 6.352 1.628 0.839) 6.611 14.094 ( -0.363 11.601 0.509) 11.618 15.721 ( -1.187 6.561 0.248) 6.672 16.832 ( -0.187 -19.777 -0.477) 19.784 17.475 ( -1.805 -0.866 -1.595) 2.560======================= Grid point 800 (420/468) =======================q-point: (-0.27 -0.45 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( -4.744 -3.585 -2.569) 6.478 2.046 ( 0.004 -22.783 0.533) 22.789 2.238 ( 7.216 -14.934 4.018) 17.066 3.034 ( -1.939 -4.711 0.140) 5.096 3.882 ( -2.285 -1.078 3.533) 4.344 4.937 ( -0.332 5.871 -4.534) 7.425 5.463 ( 8.503 -8.580 5.610) 13.319 6.259 ( 6.026 3.351 -2.333) 7.279 6.516 ( 4.233 -7.233 -3.129) 8.945 7.460 ( -9.318 14.789 7.288) 18.939 7.567 ( -5.006 7.181 -1.224) 8.838 7.998 ( 0.056 3.275 3.158) 4.550 8.765 ( -7.317 7.618 -7.890) 13.185 12.411 ( 6.758 3.323 0.527) 7.549 13.887 ( 0.278 16.180 1.937) 16.298 15.599 ( -2.551 6.149 -0.797) 6.705 17.173 ( 0.213 -25.889 -0.408) 25.893 17.459 ( -2.247 -1.305 -1.750) 3.132======================= Grid point 801 (421/468) =======================q-point: (-0.18 -0.45 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( -2.503 -5.867 -0.035) 6.379 2.362 ( 3.254 -16.702 1.046) 17.049 2.541 ( 1.791 -16.027 4.717) 16.803 3.101 ( 1.043 -5.623 2.395) 6.200 3.871 ( -2.842 -1.618 0.873) 3.385 4.821 ( -0.753 7.359 -6.848) 10.080 5.743 ( 8.958 -10.860 4.124) 14.670 6.302 ( 8.865 3.791 -1.910) 9.829 6.666 ( 3.209 -6.930 -3.004) 8.206 7.104 ( -10.898 16.180 4.872) 20.107 7.372 ( -5.745 8.840 -1.039) 10.594 7.952 ( -0.622 3.367 2.353) 4.154 8.513 ( -7.416 10.748 -7.698) 15.158 12.430 ( 4.115 4.415 -0.719) 6.078 13.678 ( 0.935 13.932 2.708) 14.223 15.481 ( -3.185 4.482 -0.984) 5.586 17.435 ( -3.807 -4.356 -5.136) 7.736 17.550 ( 2.615 -20.303 2.902) 20.676======================= Grid point 802 (422/468) =======================q-point: (-0.09 -0.45 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( -0.112 -6.131 1.676) 6.357 2.591 ( 2.727 -8.363 2.254) 9.080 2.743 ( -2.279 -11.844 2.481) 12.313 3.244 ( 6.503 -5.655 6.128) 10.574 3.847 ( -3.314 -0.445 -1.433) 3.638 4.695 ( -0.245 5.951 -10.531) 12.098 5.981 ( 2.610 -9.043 0.662) 9.435 6.388 ( 12.490 4.379 -0.818) 13.260 6.697 ( -9.585 6.619 1.748) 11.779 6.836 ( -0.324 0.510 -0.343) 0.695 7.188 ( -2.860 6.618 1.180) 7.305 7.886 ( -1.605 4.676 0.936) 5.031 8.258 ( -5.375 9.046 -5.390) 11.822 12.399 ( 0.743 3.735 -1.653) 4.152 13.535 ( 1.130 8.445 2.271) 8.818 15.386 ( -2.697 2.782 -0.296) 3.886 17.425 ( -2.615 -2.082 -3.157) 4.598 17.849 ( 2.417 -14.644 0.919) 14.871======================= Grid point 810 (423/468) =======================q-point: (-0.36 -0.36 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( -3.350 0.000 3.244) 4.663 1.673 ( -3.304 0.000 -0.679) 3.373 2.017 ( 11.694 -0.000 1.491) 11.789 2.956 ( -1.966 0.000 -2.022) 2.820 3.870 ( -2.274 0.000 4.748) 5.264 5.054 ( 2.393 -0.000 -4.216) 4.848 5.302 ( 4.648 -0.000 8.379) 9.582 6.339 ( 2.316 -0.000 -1.110) 2.568 6.377 ( 8.819 -0.000 -4.278) 9.802 7.664 ( -12.832 0.000 5.636) 14.015 7.678 ( -4.598 0.000 -0.167) 4.601 8.060 ( -1.240 0.000 5.425) 5.565 8.900 ( -2.638 0.000 -8.629) 9.023 12.462 ( 7.147 -0.000 1.050) 7.224 14.187 ( 0.448 -0.000 2.436) 2.476 15.757 ( -2.224 0.000 -0.866) 2.386 16.659 ( -0.997 0.000 -1.256) 1.604 17.441 ( -1.888 0.000 -1.082) 2.176======================= Grid point 811 (424/468) =======================q-point: (-0.27 -0.36 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( -2.744 -4.286 2.162) 5.529 1.763 ( 1.781 -15.889 5.749) 16.990 2.222 ( 9.898 -5.873 3.863) 12.140 2.955 ( -0.654 -3.347 -2.555) 4.261 3.845 ( -2.668 -0.280 3.061) 4.070 5.031 ( 2.104 6.205 -3.290) 7.332 5.455 ( 6.473 -7.777 6.301) 11.920 6.366 ( 4.229 0.597 -1.462) 4.514 6.518 ( 9.007 -2.411 -2.919) 9.770 7.431 ( -16.754 5.350 4.753) 18.219 7.573 ( -6.045 4.338 -0.751) 7.479 8.021 ( -3.520 1.000 3.175) 4.845 8.825 ( 1.471 7.909 -8.822) 11.940 12.531 ( 4.425 2.061 -0.233) 4.887 14.114 ( 1.193 11.921 4.325) 12.737 15.655 ( -3.202 6.898 -1.673) 7.787 16.810 ( -1.099 -21.017 -1.713) 21.116 17.424 ( -0.750 -0.590 -0.263) 0.990======================= Grid point 812 (425/468) =======================q-point: (-0.18 -0.36 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( 2.596 -3.998 5.771) 7.485 2.113 ( 3.433 -23.089 6.620) 24.263 2.430 ( 4.290 -7.203 5.115) 9.821 3.041 ( 3.657 -7.109 -2.811) 8.474 3.821 ( -2.555 -0.628 1.427) 2.993 4.932 ( 1.254 9.248 -3.853) 10.097 5.683 ( 4.693 -10.634 1.982) 11.791 6.435 ( 5.777 -0.963 -1.281) 5.995 6.662 ( 7.326 -1.541 -1.093) 7.565 7.108 ( -14.853 8.752 4.567) 17.835 7.399 ( -6.608 6.900 -0.803) 9.588 7.969 ( -3.093 0.606 2.398) 3.960 8.658 ( 2.033 16.113 -9.471) 18.800 12.514 ( -0.261 3.679 -1.976) 4.184 13.929 ( 1.793 16.724 5.237) 17.616 15.510 ( -3.315 5.963 -1.251) 6.936 17.136 ( -2.114 -24.378 -3.464) 24.713 17.454 ( 2.328 -3.407 1.710) 4.467======================= Grid point 813 (426/468) =======================q-point: (-0.09 -0.36 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 6.380 -2.751 8.243) 10.781 2.489 ( 3.238 -19.731 5.444) 20.723 2.553 ( -0.301 -5.387 4.960) 7.329 3.245 ( 8.505 -9.527 -1.073) 12.816 3.799 ( -2.234 -0.544 -0.494) 2.352 4.796 ( 1.066 9.904 -6.121) 11.692 5.856 ( -1.415 -9.200 -2.023) 9.525 6.510 ( 0.433 1.262 -1.768) 2.215 6.648 ( -6.916 1.350 0.560) 7.069 6.935 ( 5.155 7.155 4.510) 9.905 7.245 ( -0.482 4.433 2.049) 4.907 7.924 ( -2.265 1.776 2.325) 3.700 8.399 ( 0.568 17.989 -9.578) 20.388 12.423 ( -4.229 3.442 -2.913) 6.182 13.731 ( 1.703 14.971 4.409) 15.699 15.400 ( -2.151 3.772 0.052) 4.343 17.333 ( -2.004 -8.217 -2.074) 8.708 17.651 ( 3.921 -15.984 0.506) 16.465======================= Grid point 822 (427/468) =======================q-point: (-0.27 -0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.511 ( -0.859 0.000 6.320) 6.378 1.735 ( 7.835 -0.000 10.496) 13.098 2.318 ( 7.865 -0.000 5.871) 9.815 2.923 ( 1.360 -0.000 -4.361) 4.568 3.814 ( -2.458 0.000 2.363) 3.409 5.123 ( 3.882 -0.000 -3.647) 5.327 5.471 ( 4.012 -0.000 4.555) 6.070 6.402 ( 2.730 -0.000 -1.581) 3.154 6.655 ( 11.542 -0.000 -0.586) 11.557 7.229 ( -17.929 0.000 4.549) 18.497 7.516 ( -7.053 0.000 -0.710) 7.089 7.962 ( -5.372 0.000 1.414) 5.555 8.932 ( 6.132 -0.000 -9.143) 11.009 12.573 ( -0.344 0.000 -2.045) 2.074 14.243 ( 2.422 -0.000 6.993) 7.401 15.665 ( -3.707 0.000 -2.808) 4.651 16.617 ( -1.578 0.000 -1.597) 2.245 17.424 ( 1.472 -0.000 0.616) 1.596======================= Grid point 823 (428/468) =======================q-point: (-0.18 -0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 2.457 -9.515 8.220) 12.812 1.965 ( 11.043 -8.880 13.473) 19.553 2.428 ( 2.998 -2.656 7.119) 8.168 2.996 ( 5.253 -5.689 -5.591) 9.551 3.789 ( -1.833 -0.072 1.771) 2.550 5.095 ( 3.511 9.044 -3.026) 10.163 5.584 ( 1.125 -8.380 -0.466) 8.468 6.453 ( 3.069 -2.142 -1.645) 4.088 6.720 ( -5.744 1.969 0.526) 6.095 7.078 ( 2.487 2.210 6.778) 7.551 7.383 ( -7.239 3.832 -0.707) 8.221 7.907 ( -4.524 -1.443 1.270) 4.915 8.909 ( 5.202 11.794 -10.868) 16.860 12.511 ( -5.535 1.984 -3.720) 6.958 14.200 ( 3.259 12.975 8.271) 15.728 15.552 ( -3.377 6.198 -2.209) 7.396 16.762 ( -1.728 -20.859 -2.081) 21.034 17.470 ( 4.094 -1.039 1.358) 4.437======================= Grid point 824 (429/468) =======================q-point: (-0.09 -0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( 7.578 -8.219 10.865) 15.589 2.274 ( 4.722 -12.831 8.799) 16.259 2.526 ( 3.412 -5.094 8.865) 10.779 3.199 ( 7.964 -10.886 -5.491) 14.564 3.773 ( -1.086 0.047 1.212) 1.628 4.977 ( 3.241 12.020 -3.709) 12.990 5.680 ( -5.149 -7.696 -3.908) 10.051 6.486 ( -7.578 3.003 -0.361) 8.160 6.564 ( -2.104 -3.145 0.052) 3.784 7.104 ( -0.655 8.110 2.494) 8.510 7.341 ( 10.993 -0.630 6.266) 12.669 7.882 ( -3.441 -1.833 1.973) 4.370 8.694 ( 1.998 20.608 -12.315) 24.090 12.369 ( -8.835 2.363 -4.361) 10.132 14.020 ( 2.875 18.820 6.979) 20.277 15.435 ( -1.535 4.481 -0.167) 4.739 17.069 ( -1.697 -22.820 -1.193) 22.914 17.576 ( 5.659 -4.501 0.307) 7.237======================= Grid point 834 (430/468) =======================q-point: (-0.18 -0.18 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.554 ( 1.521 -0.000 9.051) 9.178 2.154 ( 16.835 -0.000 17.813) 24.510 2.444 ( -0.067 0.000 7.457) 7.458 3.019 ( 6.597 -0.000 -6.326) 9.140 3.775 ( -0.825 0.000 2.324) 2.466 5.226 ( 4.404 -0.000 -3.198) 5.442 5.500 ( -2.296 0.000 -3.112) 3.868 6.479 ( 3.585 -0.000 -1.359) 3.834 6.567 ( -15.403 0.000 1.980) 15.529 7.264 ( 16.503 -0.000 8.627) 18.622 7.300 ( -8.461 0.000 -1.146) 8.538 7.839 ( -3.568 0.000 1.310) 3.801 9.033 ( 2.879 -0.000 -12.914) 13.231 12.409 ( -9.954 0.000 -5.081) 11.176 14.378 ( 4.804 -0.000 10.478) 11.527 15.556 ( -2.956 0.000 -2.711) 4.011 16.566 ( -1.629 0.000 -1.710) 2.361 17.535 ( 5.935 -0.000 1.411) 6.101======================= Grid point 835 (431/468) =======================q-point: (-0.09 -0.18 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( 2.774 -15.249 9.309) 18.080 2.356 ( 6.913 4.338 11.331) 13.964 2.528 ( 7.391 -6.775 12.335) 15.896 3.151 ( 6.729 -7.161 -6.536) 11.802 3.775 ( 0.089 0.341 3.363) 3.382 5.186 ( 3.861 10.069 -3.376) 11.300 5.494 ( -6.596 -5.355 -5.160) 9.940 6.379 ( -10.657 0.424 2.104) 10.871 6.544 ( 4.086 -1.933 -1.026) 4.635 7.139 ( -7.750 5.232 -0.619) 9.371 7.533 ( 15.649 -2.589 9.489) 18.483 7.822 ( -0.778 -1.312 2.305) 2.764 8.924 ( -1.210 12.618 -13.970) 18.864 12.239 ( -11.857 0.834 -5.467) 13.084 14.348 ( 4.655 15.687 9.377) 18.859 15.482 ( -0.967 4.160 -0.914) 4.367 16.711 ( -1.393 -20.811 -1.330) 20.900 17.628 ( 6.413 -0.738 0.403) 6.468======================= Grid point 846 (432/468) =======================q-point: (-0.09 -0.09 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( 2.259 -0.000 9.538) 9.802 2.438 ( -1.392 0.000 5.712) 5.879 2.665 ( 13.600 -0.000 16.616) 21.472 3.166 ( 5.323 -0.000 -6.498) 8.400 3.795 ( 0.821 -0.000 6.025) 6.081 5.316 ( 2.745 -0.000 -2.684) 3.839 5.342 ( -6.565 0.000 -7.118) 9.683 6.260 ( -6.719 0.000 2.229) 7.079 6.597 ( 5.596 -0.000 -0.676) 5.637 7.059 ( -8.736 0.000 -1.454) 8.856 7.659 ( 3.219 -0.000 7.311) 7.988 7.893 ( 11.137 -0.000 6.030) 12.665 8.943 ( -5.473 0.000 -13.657) 14.713 12.066 ( -12.045 0.000 -5.586) 13.278 14.567 ( 5.506 -0.000 9.766) 11.211 15.506 ( -0.127 0.000 -1.160) 1.167 16.521 ( -1.131 0.000 -1.542) 1.912 17.710 ( 5.858 -0.000 -0.354) 5.868======================= Grid point 847 (433/468) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( -0.000 0.000 0.000) 0.000 2.483 ( -0.000 0.000 0.000) 0.000 3.078 ( -0.000 0.000 -0.000) 0.000 3.157 ( -0.000 0.000 0.000) 0.000 3.917 ( -0.000 0.000 0.000) 0.000 5.113 ( -0.000 0.000 0.000) 0.000 5.320 ( -0.000 0.000 0.000) 0.000 6.200 ( -0.000 0.000 0.000) 0.000 6.769 ( -0.000 0.000 0.000) 0.000 6.817 ( -0.000 0.000 0.000) 0.000 7.775 ( 0.000 -0.000 0.000) 0.000 8.272 ( -0.000 0.000 0.000) 0.000 8.578 ( -0.000 0.000 0.000) 0.000 11.782 ( -0.000 0.000 0.000) 0.000 14.778 ( -0.000 0.000 0.000) 0.000 15.509 ( -0.000 0.000 0.000) 0.000 16.484 ( -0.000 0.000 0.000) 0.000 17.785 ( -0.000 0.000 0.000) 0.000======================= Grid point 849 (434/468) =======================q-point: ( 0.09 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( -1.371 -15.797 -1.211) 15.903 2.475 ( 1.102 2.563 -1.043) 2.979 3.054 ( -4.310 -1.831 -3.627) 5.924 3.196 ( -2.073 -6.974 -0.534) 7.296 3.862 ( -5.547 2.134 2.600) 6.487 5.145 ( 3.637 2.604 0.852) 4.554 5.274 ( 1.812 4.380 -0.860) 4.817 6.233 ( 2.586 -1.616 -0.131) 3.053 6.691 ( -6.618 -0.839 -0.898) 6.732 6.901 ( 7.970 1.171 0.879) 8.104 7.799 ( 0.279 -3.117 -1.404) 3.430 8.200 ( -10.373 -0.625 -4.802) 11.447 8.514 ( 2.741 12.477 8.816) 15.521 11.836 ( 6.079 -0.977 2.799) 6.764 14.596 ( -1.212 20.859 -2.333) 21.024 15.494 ( -0.744 1.165 -0.573) 1.496 16.675 ( 0.396 -23.051 0.038) 23.055 17.762 ( -2.093 1.021 -0.841) 2.476======================= Grid point 850 (435/468) =======================q-point: ( 0.18 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.175 ( -3.094 -20.759 -2.909) 21.189 2.425 ( 1.105 5.305 -2.216) 5.855 2.999 ( -7.900 -3.285 -6.801) 10.929 3.296 ( -4.233 -12.758 -0.434) 13.449 3.750 ( -5.774 2.760 6.333) 9.003 5.021 ( -2.756 11.936 0.487) 12.260 5.368 ( 12.025 -1.579 -1.647) 12.240 6.291 ( 3.538 0.273 0.660) 3.609 6.641 ( -4.708 -3.468 -0.957) 5.925 6.975 ( 6.795 2.754 -0.394) 7.343 7.857 ( 0.950 -3.793 -2.659) 4.729 7.992 ( -14.676 4.464 -4.247) 15.917 8.348 ( 0.569 15.596 11.839) 19.588 11.970 ( 9.624 -1.235 4.104) 10.535 14.228 ( -1.417 24.779 -3.357) 25.045 15.457 ( -1.424 1.560 -1.114) 2.388 17.064 ( 0.351 -27.997 -0.991) 28.017 17.703 ( -3.461 1.239 -0.593) 3.723======================= Grid point 851 (436/468) =======================q-point: ( 0.27 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.226 ( -6.073 3.520 -7.404) 10.202 2.502 ( 1.262 -13.458 -0.951) 13.550 2.915 ( -8.754 -3.354 -6.673) 11.507 3.422 ( -6.825 -13.926 1.161) 15.552 3.678 ( -2.135 1.135 7.576) 7.952 4.799 ( -2.071 13.148 -1.675) 13.415 5.586 ( 13.795 -4.182 -0.757) 14.435 6.310 ( 3.864 4.233 1.714) 5.982 6.657 ( -3.023 -5.789 -1.181) 6.637 6.999 ( 4.641 4.552 -2.658) 7.023 7.667 ( -13.417 11.859 -0.759) 17.923 7.908 ( 1.301 -0.061 -1.733) 2.168 8.167 ( -4.309 7.309 8.734) 12.176 12.128 ( 9.719 -0.790 3.632) 10.406 13.875 ( -0.993 20.262 -3.132) 20.526 15.411 ( -1.584 1.557 -1.211) 2.530 17.407 ( -1.613 -17.206 -5.723) 18.204 17.672 ( -1.998 -5.565 3.850) 7.055======================= Grid point 852 (437/468) =======================q-point: ( 0.36 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.043 ( -6.796 5.568 -7.315) 11.432 2.671 ( 1.491 -6.151 -2.444) 6.785 2.859 ( -6.814 -5.737 -2.915) 9.373 3.494 ( -6.316 -7.872 5.097) 11.307 3.688 ( -0.521 -2.555 2.822) 3.842 4.605 ( -0.433 10.214 -2.752) 10.587 5.845 ( 11.606 -7.248 0.053) 13.683 6.297 ( 6.326 6.910 2.517) 9.701 6.692 ( -3.534 -4.204 -1.366) 5.660 6.948 ( 0.630 6.893 -4.619) 8.321 7.337 ( -9.458 9.991 2.838) 14.047 7.858 ( -2.245 4.639 -0.234) 5.159 8.100 ( -2.377 -1.696 3.414) 4.492 12.257 ( 6.945 -0.233 2.187) 7.285 13.621 ( -0.453 12.771 -2.043) 12.941 15.370 ( -1.143 1.136 -0.831) 1.813 17.448 ( -3.565 -1.058 -5.130) 6.336 17.855 ( 0.650 -13.852 3.603) 14.328======================= Grid point 853 (438/468) =======================q-point: ( 0.45 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( -3.189 2.381 -3.182) 5.096 2.715 ( 0.570 -0.232 -1.455) 1.580 2.873 ( -2.335 -3.697 -0.428) 4.393 3.517 ( -2.172 -2.384 3.186) 4.533 3.717 ( -0.579 -1.575 0.080) 1.680 4.496 ( 0.190 3.855 -1.383) 4.100 6.056 ( 2.870 -5.453 -0.220) 6.166 6.339 ( 11.418 3.469 3.233) 12.364 6.612 ( -8.708 3.198 -2.851) 9.704 6.854 ( -1.148 1.584 -1.429) 2.423 7.180 ( -2.204 2.495 1.340) 3.589 7.776 ( -1.690 1.784 0.077) 2.459 8.112 ( -0.419 -1.064 0.802) 1.397 12.326 ( 2.488 -0.007 0.681) 2.580 13.491 ( -0.109 4.330 -0.680) 4.385 15.347 ( -0.396 0.411 -0.274) 0.634 17.408 ( -1.442 0.122 -1.711) 2.241 18.011 ( 0.315 -5.287 1.116) 5.413======================= Grid point 860 (439/468) =======================q-point: ( 0.09 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( -2.523 0.000 -2.184) 3.337 2.515 ( 2.399 -0.000 -1.842) 3.025 2.934 ( -9.758 0.000 -8.447) 12.906 3.104 ( -3.759 0.000 -0.901) 3.865 3.793 ( -6.931 0.000 5.181) 8.653 5.268 ( 8.738 -0.000 0.078) 8.739 5.281 ( -2.810 0.000 0.644) 2.883 6.287 ( 7.000 -0.000 -0.626) 7.028 6.596 ( -6.038 0.000 -0.544) 6.063 7.031 ( 8.887 -0.000 1.173) 8.964 7.771 ( -0.342 0.000 -2.953) 2.972 8.010 ( -14.895 0.000 -5.008) 15.715 8.660 ( 1.803 -0.000 13.173) 13.296 11.954 ( 10.570 -0.000 5.079) 11.727 14.726 ( -3.011 0.000 -5.347) 6.137 15.495 ( -0.564 0.000 -0.253) 0.618 16.499 ( 0.994 -0.000 0.511) 1.118 17.725 ( -3.969 0.000 -1.873) 4.388======================= Grid point 861 (440/468) =======================q-point: ( 0.18 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( -3.391 -15.488 -2.890) 16.116 2.504 ( 0.532 4.929 -4.066) 6.412 2.786 ( -12.176 -4.624 -10.972) 17.030 3.089 ( -5.317 -6.724 -0.998) 8.631 3.719 ( -4.250 0.954 7.841) 8.970 5.148 ( -2.594 9.869 0.255) 10.207 5.442 ( 7.543 -5.811 0.117) 9.522 6.398 ( 9.806 1.672 -0.031) 9.948 6.536 ( -4.238 -2.244 -0.248) 4.802 7.127 ( 8.223 3.494 0.520) 8.949 7.712 ( -15.783 -2.778 -7.725) 17.790 7.857 ( -1.571 -0.900 -0.451) 1.866 8.613 ( 0.159 12.129 15.587) 19.750 12.122 ( 11.901 0.074 5.694) 13.194 14.515 ( -3.325 18.682 -6.524) 20.065 15.470 ( -0.341 2.351 0.048) 2.376 16.696 ( 1.090 -22.180 0.218) 22.208 17.654 ( -4.963 0.435 -2.241) 5.463======================= Grid point 862 (441/468) =======================q-point: ( 0.27 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( -6.947 -13.606 -6.201) 16.487 2.412 ( -2.669 -1.611 -4.928) 5.831 2.706 ( -8.376 -5.327 -8.272) 12.921 3.146 ( -6.018 -11.678 -0.731) 13.158 3.691 ( -0.549 0.764 8.657) 8.708 4.952 ( -2.062 12.069 -1.259) 12.309 5.636 ( 6.491 -7.517 0.592) 9.949 6.459 ( 3.958 2.687 1.656) 5.062 6.572 ( 4.127 -1.942 -0.451) 4.584 7.145 ( 4.709 6.623 -1.598) 8.282 7.472 ( -17.562 -0.392 -5.661) 18.456 7.912 ( 2.894 -2.664 -0.730) 4.001 8.402 ( -1.331 18.955 15.365) 24.437 12.276 ( 9.945 1.139 4.591) 11.013 14.155 ( -2.497 22.142 -5.828) 23.032 15.429 ( -0.004 2.871 0.288) 2.886 17.071 ( 0.468 -25.647 -1.073) 25.674 17.587 ( -4.279 -1.395 -1.077) 4.628======================= Grid point 863 (442/468) =======================q-point: ( 0.36 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( -9.713 0.006 -9.303) 13.450 2.550 ( -0.299 -15.925 -0.745) 15.945 2.663 ( -5.538 -3.971 -5.353) 8.666 3.241 ( -5.886 -12.617 -1.095) 13.966 3.713 ( 2.190 0.246 7.456) 7.775 4.758 ( -0.211 11.758 -2.397) 12.001 5.828 ( 3.942 -8.863 0.734) 9.728 6.466 ( 0.418 1.576 2.158) 2.704 6.649 ( 5.385 0.749 0.170) 5.440 7.023 ( -5.944 8.513 -3.688) 11.018 7.289 ( -3.847 3.519 -1.609) 5.456 7.954 ( 1.720 3.595 -0.534) 4.021 8.172 ( 0.634 11.956 11.784) 16.800 12.366 ( 5.702 2.372 2.676) 6.731 13.823 ( -1.717 17.894 -4.344) 18.494 15.393 ( 0.654 2.728 0.715) 2.895 17.337 ( -1.556 -9.867 -2.585) 10.318 17.645 ( -0.921 -13.860 1.162) 13.940======================= Grid point 864 (443/468) =======================q-point: ( 0.45 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( -4.392 -1.598 -4.560) 6.530 2.641 ( -5.890 -6.103 -2.378) 8.809 2.769 ( 2.880 -9.996 -0.121) 10.403 3.340 ( -4.024 -11.136 -3.363) 12.309 3.764 ( 3.760 0.421 6.188) 7.252 4.607 ( 1.354 9.562 -2.093) 9.881 5.990 ( 1.219 -8.291 -0.013) 8.380 6.376 ( -11.776 3.059 0.047) 12.167 6.698 ( 5.887 3.229 0.916) 6.777 6.827 ( -2.435 5.961 1.435) 6.597 7.223 ( 2.299 4.894 -1.832) 5.709 7.870 ( 2.026 7.267 2.535) 7.959 8.150 ( 4.666 2.387 4.600) 6.974 12.373 ( 0.623 3.040 0.925) 3.238 13.588 ( -1.257 10.805 -2.698) 11.207 15.373 ( 1.336 2.207 1.120) 2.812 17.383 ( -0.142 -1.998 0.348) 2.033 17.868 ( -0.212 -14.298 -0.563) 14.311======================= Grid point 865 (444/468) =======================q-point: (-0.45 0.09 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( 1.628 -5.553 1.294) 5.930 2.665 ( -2.157 -5.075 1.022) 5.609 2.911 ( 2.959 -4.084 0.114) 5.044 3.438 ( -0.497 -8.283 -7.879) 11.442 3.821 ( 4.977 1.978 5.691) 7.815 4.516 ( 1.458 5.180 -0.300) 5.390 6.074 ( -17.303 7.854 0.462) 19.008 6.099 ( -1.886 -7.254 -2.209) 7.814 6.737 ( 7.214 2.770 2.831) 8.230 6.808 ( -1.641 -3.290 3.786) 5.277 7.197 ( 2.722 2.460 -4.169) 5.553 7.855 ( 4.829 2.713 2.174) 5.951 8.196 ( 7.342 3.880 2.788) 8.760 12.305 ( -3.994 3.106 -0.413) 5.076 13.472 ( -0.888 2.614 -1.151) 2.991 15.372 ( 1.919 1.365 1.479) 2.780 17.426 ( 2.350 -1.607 3.275) 4.339 18.001 ( -0.746 -5.056 -2.428) 5.659======================= Grid point 866 (445/468) =======================q-point: (-0.36 0.09 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( 3.026 -8.000 3.860) 9.384 2.724 ( 2.189 -1.115 4.636) 5.247 2.976 ( 3.307 0.167 0.290) 3.324 3.531 ( 3.219 -4.927 -11.065) 12.533 3.844 ( 5.714 7.355 3.934) 10.111 4.513 ( 0.785 -3.251 1.878) 3.836 5.718 ( -19.319 5.450 0.496) 20.079 6.174 ( 0.402 -4.745 -1.624) 5.031 6.799 ( 2.823 1.591 2.707) 4.222 6.863 ( 0.513 -4.770 6.088) 7.751 7.230 ( 0.773 -7.038 -8.148) 10.794 7.899 ( 3.370 0.486 1.478) 3.712 8.252 ( 10.984 6.257 2.400) 12.867 12.181 ( -7.080 3.015 -1.526) 7.845 13.487 ( -0.407 -5.995 0.226) 6.013 15.391 ( 2.253 0.388 1.736) 2.871 17.503 ( 3.792 -1.681 5.460) 6.857 17.978 ( -1.148 5.501 -4.113) 6.964======================= Grid point 867 (446/468) =======================q-point: (-0.27 0.09 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( 1.221 -8.663 3.189) 9.312 2.711 ( 2.696 10.371 3.807) 11.372 3.037 ( 4.890 -1.046 2.847) 5.754 3.627 ( 6.129 -2.455 -9.663) 11.703 3.761 ( 3.678 13.358 1.660) 13.954 4.647 ( 1.880 -11.802 1.703) 12.072 5.414 ( -16.870 2.506 1.611) 17.131 6.238 ( 0.490 -3.404 -1.512) 3.756 6.786 ( 2.238 4.694 2.278) 5.677 6.920 ( -0.955 -0.626 4.342) 4.490 7.432 ( -0.232 -22.792 -7.467) 23.985 7.920 ( 0.627 0.719 0.494) 1.074 8.318 ( 11.567 6.885 1.862) 13.589 12.031 ( -7.685 3.035 -2.235) 8.559 13.634 ( 0.106 -14.445 1.149) 14.491 15.425 ( 2.014 -0.440 1.594) 2.606 17.584 ( 3.807 0.739 8.152) 9.027 17.808 ( -1.215 13.149 -6.871) 14.885======================= Grid point 868 (447/468) =======================q-point: (-0.18 0.09 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.309 ( 0.115 -7.852 1.706) 8.036 2.521 ( 1.141 19.300 1.237) 19.374 3.115 ( 3.576 0.379 2.898) 4.618 3.563 ( 2.772 17.093 0.141) 17.316 3.755 ( 4.107 -4.756 -4.202) 7.559 4.880 ( 3.681 -14.148 -0.536) 14.629 5.204 ( -11.757 0.039 2.192) 11.960 6.269 ( -0.048 -0.502 -0.791) 0.938 6.761 ( 3.882 4.146 1.438) 5.858 6.883 ( -4.218 0.900 0.717) 4.372 7.802 ( 0.429 -27.336 -0.756) 27.350 7.901 ( -0.130 1.485 -2.265) 2.712 8.357 ( 6.712 5.755 0.513) 8.856 11.892 ( -5.202 2.918 -1.875) 6.253 13.902 ( 0.352 -21.763 1.158) 21.797 15.460 ( 1.135 -0.949 0.920) 1.742 17.449 ( 0.266 24.029 2.599) 24.171 17.712 ( 1.344 -1.831 -1.809) 2.903======================= Grid point 869 (448/468) =======================q-point: (-0.09 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.222 ( -0.000 22.157 0.000) 22.157 2.411 ( -0.000 -5.667 -0.000) 5.667 3.121 ( -0.000 2.466 -0.000) 2.466 3.356 ( -0.000 13.220 0.000) 13.220 3.852 ( -0.000 -4.233 0.000) 4.233 5.110 ( -0.000 -0.023 0.000) 0.023 5.121 ( 0.000 -12.716 -0.000) 12.716 6.250 ( -0.000 2.240 0.000) 2.240 6.788 ( -0.000 1.161 0.000) 1.161 6.804 ( -0.000 0.621 0.000) 0.621 7.850 ( 0.000 3.740 0.000) 3.740 8.199 ( -0.000 -24.441 0.000) 24.441 8.328 ( -0.000 4.222 0.000) 4.222 11.815 ( -0.000 2.214 0.000) 2.214 14.255 ( -0.000 -25.748 0.000) 25.748 15.484 ( -0.000 -1.145 0.000) 1.145 17.061 ( -0.000 28.693 0.000) 28.693 17.754 ( -0.000 -2.037 0.000) 2.037======================= Grid point 873 (449/468) =======================q-point: ( 0.18 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( -3.457 0.000 -2.688) 4.379 2.498 ( -17.365 0.000 -15.061) 22.987 2.568 ( 1.252 -0.000 -4.357) 4.533 2.962 ( -5.528 0.000 -1.176) 5.652 3.704 ( -1.302 0.000 8.574) 8.672 5.186 ( -4.020 0.000 0.564) 4.059 5.471 ( 5.462 -0.000 -0.119) 5.463 6.459 ( -4.108 0.000 0.522) 4.141 6.583 ( 13.542 -0.000 0.172) 13.543 7.276 ( 8.663 -0.000 1.084) 8.731 7.432 ( -18.523 0.000 -7.273) 19.900 7.860 ( 2.700 -0.000 -0.311) 2.717 8.722 ( -2.226 0.000 16.708) 16.856 12.297 ( 11.258 -0.000 5.793) 12.661 14.585 ( -4.849 0.000 -9.055) 10.271 15.505 ( 1.412 -0.000 1.986) 2.436 16.539 ( 1.669 -0.000 0.845) 1.871 17.579 ( -5.345 0.000 -2.953) 6.106======================= Grid point 874 (450/468) =======================q-point: ( 0.27 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( -4.281 -12.602 -3.064) 13.657 2.241 ( -14.687 -2.323 -13.086) 19.808 2.565 ( -3.628 -2.324 -6.043) 7.422 2.945 ( -3.374 -6.167 -0.955) 7.094 3.720 ( 1.333 0.180 8.065) 8.176 5.068 ( -2.842 8.129 -0.446) 8.623 5.586 ( 3.068 -6.808 -0.612) 7.492 6.423 ( -3.303 -1.783 1.164) 3.930 6.716 ( 5.053 1.897 0.662) 5.438 7.200 ( -6.356 2.984 -4.735) 8.469 7.373 ( 6.000 2.355 0.286) 6.451 7.925 ( 4.413 -1.932 -0.268) 4.825 8.626 ( -3.888 11.325 16.004) 19.987 12.430 ( 7.821 1.484 4.330) 9.062 14.378 ( -4.231 15.477 -8.504) 18.159 15.500 ( 2.198 4.283 2.673) 5.507 16.733 ( 1.485 -20.842 0.663) 20.905 17.510 ( -4.234 -0.602 -2.548) 4.978======================= Grid point 875 (451/468) =======================q-point: ( 0.36 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.775 ( -7.454 -4.692 -7.027) 11.267 2.224 ( -7.270 -18.087 -4.387) 19.981 2.541 ( -4.613 -5.470 -5.510) 9.031 3.023 ( -1.493 -9.037 -1.504) 9.282 3.764 ( 2.935 -0.072 6.695) 7.310 4.908 ( -0.669 9.889 -1.634) 10.045 5.724 ( 0.478 -8.956 -1.739) 9.136 6.405 ( -5.346 -1.279 1.455) 5.686 6.645 ( -10.194 -1.042 0.329) 10.252 7.163 ( 11.130 9.121 -0.481) 14.397 7.392 ( 5.866 5.965 -0.031) 8.366 8.004 ( 3.660 0.085 -0.971) 3.788 8.410 ( -1.230 14.816 14.130) 20.511 12.474 ( 2.782 3.351 2.151) 4.858 14.053 ( -3.012 19.153 -6.435) 20.428 15.471 ( 2.478 4.598 2.531) 5.805 17.087 ( 0.946 -22.859 0.942) 22.898 17.492 ( -1.971 -4.465 -1.825) 5.211======================= Grid point 876 (452/468) =======================q-point: ( 0.45 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( -2.394 -3.750 -3.843) 5.879 2.384 ( -7.160 -15.466 -1.157) 17.082 2.629 ( -0.383 -13.063 -3.479) 13.524 3.148 ( 0.188 -9.987 -2.832) 10.383 3.825 ( 3.506 -0.460 5.405) 6.459 4.768 ( 1.431 9.807 -1.820) 10.077 5.835 ( -4.088 -9.713 -4.320) 11.389 6.255 ( -12.143 4.173 2.234) 13.033 6.609 ( -4.479 -7.022 2.337) 8.651 7.132 ( 10.192 17.368 2.396) 20.280 7.368 ( 5.241 7.542 -0.690) 9.210 7.976 ( 0.075 5.185 0.212) 5.190 8.331 ( 8.883 6.572 9.265) 14.420 12.422 ( -2.154 4.552 0.289) 5.045 13.751 ( -2.097 15.773 -4.239) 16.466 15.448 ( 2.628 3.935 2.300) 5.261 17.335 ( 1.465 -8.014 3.369) 8.816 17.622 ( -0.624 -16.429 -3.038) 16.719======================= Grid point 877 (453/468) =======================q-point: (-0.45 0.18 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( 1.710 -6.089 0.318) 6.332 2.509 ( -2.264 -12.619 1.398) 12.897 2.820 ( 0.411 -11.969 -2.270) 12.189 3.301 ( 2.316 -9.900 -5.189) 11.415 3.894 ( 3.655 -0.994 4.819) 6.130 4.655 ( 2.455 9.302 -1.034) 9.676 5.796 ( -17.344 -3.340 -5.152) 18.399 6.099 ( -1.527 1.316 3.415) 3.966 6.680 ( -2.289 -7.532 2.752) 8.340 6.979 ( 4.528 15.545 3.392) 16.543 7.317 ( 3.901 7.980 -2.018) 9.109 7.935 ( 1.610 2.190 0.572) 2.777 8.423 ( 13.203 5.442 6.061) 15.514 12.298 ( -5.501 4.862 -0.815) 7.386 13.539 ( -1.377 9.272 -2.294) 9.651 15.439 ( 2.657 2.957 2.134) 4.512 17.439 ( 2.901 -2.863 4.735) 6.248 17.842 ( -0.943 -14.238 -3.708) 14.743======================= Grid point 878 (454/468) =======================q-point: (-0.36 0.18 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 1.109 -7.658 1.425) 7.868 2.698 ( 4.017 -10.038 5.295) 12.039 2.949 ( -0.237 -6.500 -2.639) 7.019 3.463 ( 3.767 -8.247 -7.191) 11.572 3.972 ( 4.405 -0.636 3.918) 5.930 4.562 ( 1.707 7.049 0.129) 7.254 5.522 ( -18.034 3.591 -0.851) 18.408 6.132 ( 1.151 -3.107 0.117) 3.315 6.755 ( -1.684 -5.326 2.496) 6.118 6.900 ( 3.080 2.247 3.916) 5.466 7.235 ( 1.143 7.247 -4.305) 8.507 7.937 ( 1.093 0.791 0.234) 1.369 8.527 ( 12.658 6.807 4.248) 14.987 12.144 ( -6.308 4.718 -1.227) 7.972 13.444 ( -0.717 1.371 -0.775) 1.730 15.443 ( 2.307 1.803 1.816) 3.445 17.529 ( 3.145 -2.602 4.829) 6.323 17.960 ( -1.107 -4.790 -3.781) 6.202======================= Grid point 879 (455/468) =======================q-point: (-0.27 0.18 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.061 ( 0.037 -8.613 0.962) 8.666 2.853 ( 3.843 1.529 4.903) 6.414 3.020 ( 0.244 -6.479 -1.637) 6.687 3.602 ( 3.071 -6.193 -5.281) 8.699 4.000 ( 4.163 8.140 1.148) 9.214 4.541 ( 0.621 -3.968 0.915) 4.119 5.259 ( -11.490 3.715 0.681) 12.095 6.195 ( 0.719 -3.700 -0.544) 3.808 6.797 ( -0.872 -2.548 1.409) 3.039 6.996 ( 4.799 -1.335 8.379) 9.748 7.150 ( -3.427 -4.489 -9.477) 11.032 7.936 ( 0.247 0.678 0.018) 0.722 8.569 ( 7.667 7.820 2.174) 11.166 12.000 ( -4.294 4.502 -1.011) 6.303 13.478 ( -0.191 -7.020 0.081) 7.023 15.454 ( 1.346 0.704 1.069) 1.858 17.614 ( 2.157 -2.829 3.777) 5.189 17.930 ( -0.860 6.058 -3.140) 6.878======================= Grid point 880 (456/468) =======================q-point: (-0.18 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.188 ( -0.000 -8.868 0.000) 8.868 2.767 ( -0.000 12.643 0.000) 12.643 3.115 ( -0.000 -4.145 -0.000) 4.145 3.703 ( -0.000 -5.607 0.000) 5.607 3.837 ( -0.000 16.986 0.000) 16.986 4.695 ( -0.000 -14.199 0.000) 14.199 5.134 ( -0.000 2.195 0.000) 2.195 6.247 ( -0.000 -2.659 0.000) 2.659 6.812 ( -0.000 -0.205 0.000) 0.205 6.936 ( 0.000 8.595 0.000) 8.595 7.391 ( -0.000 -26.586 0.000) 26.586 7.924 ( -0.000 1.286 -0.000) 1.286 8.511 ( -0.000 7.838 0.000) 7.838 11.906 ( -0.000 4.045 0.000) 4.045 13.638 ( -0.000 -15.095 0.000) 15.095 15.461 ( -0.000 -0.217 0.000) 0.217 17.678 ( -0.000 -3.077 -0.000) 3.077 17.754 ( -0.000 16.626 0.000) 16.626======================= Grid point 886 (457/468) =======================q-point: ( 0.27 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( -2.592 0.000 -0.796) 2.711 1.985 ( -13.965 0.000 -13.306) 19.289 2.451 ( -8.649 0.000 -6.982) 11.116 2.887 ( 0.992 -0.000 -0.844) 1.303 3.764 ( 2.639 -0.000 6.856) 7.347 5.085 ( -3.358 0.000 0.070) 3.359 5.561 ( 1.643 -0.000 -3.865) 4.200 6.371 ( -2.817 0.000 1.351) 3.124 6.641 ( -14.368 0.000 0.413) 14.374 7.285 ( 13.922 -0.000 -0.772) 13.943 7.499 ( 7.285 -0.000 0.945) 7.346 7.984 ( 6.472 -0.000 -0.481) 6.490 8.674 ( -5.336 0.000 15.353) 16.254 12.528 ( 3.514 -0.000 2.652) 4.403 14.413 ( -4.735 0.000 -9.090) 10.249 15.590 ( 3.562 -0.000 4.316) 5.596 16.591 ( 1.812 -0.000 0.899) 2.023 17.452 ( -2.630 0.000 -2.175) 3.413======================= Grid point 887 (458/468) =======================q-point: ( 0.36 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( -2.196 -6.248 -1.332) 6.755 1.883 ( -7.523 -11.325 -6.745) 15.178 2.340 ( -9.987 -5.737 -7.273) 13.621 2.940 ( 2.298 -3.854 -1.161) 4.635 3.817 ( 3.193 -0.083 5.493) 6.354 5.002 ( -1.744 5.407 -0.714) 5.726 5.598 ( -1.655 -5.562 -6.866) 8.990 6.331 ( -5.535 1.158 1.841) 5.947 6.454 ( -11.807 -2.883 2.853) 12.484 7.464 ( 15.150 4.947 1.457) 16.004 7.559 ( 6.331 4.444 0.615) 7.760 8.073 ( 5.800 1.060 -1.648) 6.122 8.582 ( -1.551 7.632 14.274) 16.260 12.529 ( -1.531 2.230 0.387) 2.732 14.234 ( -3.660 13.096 -7.131) 15.354 15.597 ( 3.551 5.805 3.903) 7.845 16.778 ( 1.500 -20.002 1.177) 20.092 17.435 ( -0.463 -1.170 -1.328) 1.830======================= Grid point 888 (459/468) =======================q-point: ( 0.45 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( 1.710 -3.640 -1.344) 4.240 2.035 ( -5.764 -19.297 0.299) 20.142 2.365 ( -5.679 -15.543 -6.914) 17.934 3.047 ( 2.663 -6.724 -1.561) 7.399 3.873 ( 3.065 -0.328 4.323) 5.310 4.901 ( 0.497 6.903 -1.224) 7.028 5.615 ( -7.522 -6.581 -8.671) 13.232 6.185 ( -7.569 3.355 4.753) 9.547 6.453 ( -3.582 -7.213 2.767) 8.515 7.507 ( 8.726 13.620 3.044) 16.459 7.555 ( 5.958 8.046 -0.381) 10.018 8.045 ( -0.818 5.625 -0.895) 5.754 8.570 ( 10.102 4.997 10.379) 15.321 12.433 ( -5.262 3.942 -1.233) 6.690 13.955 ( -2.309 17.189 -4.553) 17.931 15.563 ( 3.043 5.723 2.865) 7.087 17.130 ( 1.351 -23.291 2.892) 23.509 17.469 ( 0.726 -3.868 -2.067) 4.445======================= Grid point 889 (460/468) =======================q-point: ( 0.55 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 1.843 -4.260 -0.073) 4.642 2.262 ( -0.651 -18.827 3.185) 19.105 2.568 ( -2.615 -19.443 -5.302) 20.322 3.196 ( 2.968 -8.983 -2.318) 9.740 3.927 ( 2.558 -0.988 3.454) 4.410 4.812 ( 2.099 7.800 -0.861) 8.123 5.527 ( -13.016 -2.854 -6.012) 14.619 6.101 ( -1.494 0.942 3.451) 3.877 6.537 ( -2.089 -8.612 2.359) 9.170 7.315 ( 2.768 22.165 2.516) 22.479 7.494 ( 3.539 9.068 -0.497) 9.747 7.978 ( 0.168 2.333 0.005) 2.339 8.689 ( 12.561 4.377 6.202) 14.676 12.286 ( -6.188 4.738 -1.593) 7.955 13.690 ( -1.274 14.589 -2.379) 14.837 15.532 ( 2.397 4.405 2.029) 5.410 17.424 ( 2.853 -9.218 7.385) 12.151 17.583 ( -0.827 -15.165 -6.365) 16.468======================= Grid point 890 (461/468) =======================q-point: (-0.36 0.27 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 0.257 -5.978 0.182) 5.986 2.562 ( 3.860 -17.563 4.556) 18.550 2.773 ( -2.393 -14.181 -4.099) 14.954 3.366 ( 2.372 -9.791 -2.611) 10.407 3.989 ( 1.961 -2.674 2.303) 4.037 4.718 ( 1.957 9.492 -0.286) 9.696 5.357 ( -10.421 1.669 -1.789) 10.704 6.109 ( 0.354 -1.692 0.779) 1.896 6.643 ( -1.018 -8.050 1.409) 8.235 7.055 ( 0.904 15.314 1.439) 15.408 7.387 ( 1.497 10.373 -0.791) 10.510 7.961 ( 0.379 1.207 0.007) 1.265 8.770 ( 7.848 5.769 2.984) 10.187 12.140 ( -4.064 4.977 -0.966) 6.498 13.506 ( -0.521 8.534 -0.818) 8.589 15.507 ( 1.394 3.086 1.128) 3.569 17.534 ( 1.960 -2.632 3.631) 4.894 17.800 ( -0.775 -14.525 -3.014) 14.855======================= Grid point 891 (462/468) =======================q-point: (-0.27 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( -0.000 -7.563 0.000) 7.563 2.844 ( 0.000 -14.635 0.000) 14.635 2.882 ( -0.000 -4.918 0.000) 4.918 3.513 ( -0.000 -8.346 0.000) 8.346 4.056 ( -0.000 -3.019 0.000) 3.019 4.591 ( -0.000 8.740 0.000) 8.740 5.235 ( -0.000 3.894 0.000) 3.894 6.149 ( -0.000 -3.189 0.000) 3.189 6.735 ( -0.000 -5.356 0.000) 5.356 6.953 ( -0.000 -0.621 0.000) 0.621 7.237 ( -0.000 11.278 -0.000) 11.278 7.948 ( -0.000 0.854 0.000) 0.854 8.734 ( -0.000 7.123 0.000) 7.123 12.039 ( -0.000 4.990 0.000) 4.990 13.433 ( -0.000 0.938 0.000) 0.938 15.483 ( -0.000 1.865 0.000) 1.865 17.590 ( -0.000 -2.853 0.000) 2.853 17.932 ( -0.000 -4.670 0.000) 4.670======================= Grid point 899 (463/468) =======================q-point: ( 0.36 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( -0.308 0.000 2.969) 2.985 1.725 ( -2.170 0.000 -5.538) 5.948 2.123 ( -11.827 0.000 -8.000) 14.279 2.947 ( 2.710 -0.000 -1.101) 2.925 3.869 ( 3.064 -0.000 4.382) 5.348 5.012 ( -1.930 0.000 -0.236) 1.945 5.504 ( -3.749 0.000 -10.767) 11.401 6.266 ( -10.740 0.000 6.235) 12.419 6.313 ( -1.871 0.000 1.337) 2.299 7.670 ( 4.883 -0.000 0.679) 4.930 7.688 ( 11.702 -0.000 2.524) 11.971 8.157 ( 3.588 -0.000 -3.007) 4.681 8.669 ( 3.958 -0.000 13.246) 13.825 12.495 ( -5.416 0.000 -1.595) 5.646 14.272 ( -3.146 0.000 -5.811) 6.608 15.707 ( 3.423 -0.000 3.919) 5.204 16.639 ( 1.381 -0.000 0.672) 1.536 17.431 ( 1.133 -0.000 -0.244) 1.160======================= Grid point 900 (464/468) =======================q-point: ( 0.45 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( 4.350 -8.388 3.914) 10.227 1.743 ( -2.682 -7.754 -0.922) 8.257 2.043 ( -8.594 -12.052 -8.270) 16.956 3.005 ( 2.232 -3.681 -0.943) 4.407 3.916 ( 2.476 -0.074 3.256) 4.091 4.969 ( -0.563 2.912 -0.462) 3.002 5.437 ( -6.195 -2.253 -9.673) 11.706 6.151 ( -4.973 1.850 5.627) 7.734 6.330 ( -1.954 -4.736 1.630) 5.376 7.693 ( 3.568 4.475 0.791) 5.778 7.789 ( 7.882 6.220 2.450) 10.335 8.107 ( -2.775 5.947 -2.017) 6.866 8.779 ( 10.430 1.838 8.870) 13.814 12.389 ( -6.670 2.038 -2.367) 7.365 14.136 ( -1.926 11.935 -3.540) 12.597 15.698 ( 2.524 6.439 2.586) 7.384 16.817 ( 0.900 -19.910 0.887) 19.950 17.458 ( 1.644 -0.843 0.016) 1.848======================= Grid point 901 (465/468) =======================q-point: ( 0.55 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( 0.170 -1.913 -0.672) 2.034 1.998 ( 3.140 -20.036 6.119) 21.184 2.195 ( -4.809 -22.306 -7.092) 23.896 3.107 ( 1.530 -7.126 -0.750) 7.327 3.951 ( 1.442 -0.385 1.882) 2.402 4.919 ( 0.827 4.277 -0.306) 4.367 5.357 ( -6.209 -0.806 -4.741) 7.853 6.102 ( -1.120 0.776 2.526) 2.870 6.399 ( -1.213 -7.431 1.165) 7.619 7.644 ( 2.194 9.282 1.922) 9.730 7.673 ( 1.869 18.454 -0.364) 18.552 8.006 ( -0.936 2.162 -0.364) 2.384 8.892 ( 7.653 2.725 4.049) 9.077 12.266 ( -4.436 3.405 -1.524) 5.797 13.900 ( -0.794 16.361 -1.493) 16.448 15.636 ( 1.368 5.967 1.235) 6.245 17.166 ( 0.473 -25.114 1.393) 25.157 17.493 ( 0.948 -1.565 -0.735) 1.972======================= Grid point 902 (466/468) =======================q-point: (-0.36 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( -0.000 -4.104 0.000) 4.104 2.322 ( -0.000 -19.982 -0.000) 19.982 2.484 ( -0.000 -21.877 0.000) 21.877 3.239 ( -0.000 -9.425 0.000) 9.425 3.975 ( -0.000 -1.357 0.000) 1.357 4.851 ( -0.000 6.700 0.000) 6.700 5.301 ( -0.000 0.785 0.000) 0.785 6.096 ( -0.000 -0.408 0.000) 0.408 6.512 ( -0.000 -8.910 0.000) 8.910 7.350 ( -0.000 23.298 0.000) 23.298 7.542 ( -0.000 9.370 -0.000) 9.370 7.982 ( 0.000 1.343 0.000) 1.343 8.900 ( -0.000 4.257 0.000) 4.257 12.178 ( -0.000 4.348 0.000) 4.348 13.667 ( -0.000 14.242 0.000) 14.242 15.572 ( -0.000 4.413 0.000) 4.413 17.520 ( -0.000 -22.340 -0.000) 22.340 17.522 ( 0.000 -1.835 0.000) 1.835======================= Grid point 912 (467/468) =======================q-point: ( 0.45 0.45 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 3.435 -0.000 6.677) 7.509 1.740 ( 1.878 -0.000 -0.644) 1.985 1.803 ( -8.580 0.000 -8.328) 11.957 2.999 ( 1.140 -0.000 -0.481) 1.237 3.948 ( 1.434 -0.000 1.835) 2.329 4.977 ( -0.594 0.000 -0.143) 0.611 5.342 ( -3.462 0.000 -6.145) 7.053 6.121 ( -2.587 0.000 3.790) 4.588 6.281 ( -0.696 0.000 0.545) 0.884 7.762 ( 1.722 -0.000 0.251) 1.741 7.934 ( 6.556 -0.000 2.950) 7.189 8.100 ( -4.736 0.000 -2.430) 5.323 8.930 ( 7.231 -0.000 4.910) 8.740 12.318 ( -4.693 0.000 -1.854) 5.046 14.200 ( -1.049 0.000 -1.803) 2.086 15.787 ( 1.379 -0.000 1.485) 2.027 16.667 ( 0.514 -0.000 0.248) 0.571 17.473 ( 1.176 -0.000 0.308) 1.216======================= Grid point 913 (468/468) =======================q-point: (-0.45 -0.55 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( 0.000 -0.886 -0.000) 0.886 1.813 ( 0.000 -18.321 0.000) 18.321 1.836 ( -0.000 -10.850 -0.001) 10.850 3.035 ( 0.000 -3.981 -0.000) 3.981 3.960 ( 0.000 -0.067 -0.000) 0.067 4.962 ( 0.000 1.564 -0.000) 1.564 5.310 ( 0.002 0.118 -0.001) 0.118 6.104 ( -0.000 0.441 -0.000) 0.441 6.307 ( -0.000 -4.154 0.000) 4.154 7.744 ( 0.000 4.071 -0.000) 4.071 7.938 ( 0.000 12.725 -0.000) 12.725 8.011 ( 0.000 0.480 0.000) 0.480 8.978 ( -0.000 1.257 -0.000) 1.257 12.270 ( 0.001 1.764 -0.000) 1.764 14.102 ( 0.000 11.597 -0.000) 11.597 15.740 ( 0.000 6.523 -0.000) 6.523 16.831 ( 0.000 -19.885 -0.000) 19.885 17.486 ( 0.000 -0.609 -0.000) 0.609=================== 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 3/30492 10.0 220.205 265.136 204.484 -0.000 8.289 -0.000 3/30492 20.0 59.556 98.188 59.762 -0.000 6.396 -0.000 3/30492 30.0 30.203 49.411 31.734 -0.000 5.391 -0.000 3/30492 40.0 18.283 28.387 19.569 -0.000 3.777 -0.000 3/30492 50.0 12.211 18.193 13.192 -0.000 2.679 -0.000 3/30492 60.0 8.822 12.785 9.587 -0.000 1.996 -0.000 3/30492 70.0 6.783 9.647 7.396 -0.000 1.561 -0.000 3/30492 80.0 5.469 7.679 5.973 -0.000 1.270 -0.000 3/30492 90.0 4.572 6.366 4.994 -0.000 1.067 -0.000 3/30492 100.0 3.929 5.444 4.289 -0.000 0.919 -0.000 3/30492 110.0 3.448 4.770 3.760 -0.000 0.808 -0.000 3/30492 120.0 3.078 4.263 3.350 -0.000 0.722 -0.000 3/30492 130.0 2.783 3.870 3.024 -0.000 0.654 -0.000 3/30492 140.0 2.544 3.558 2.760 -0.000 0.598 -0.000 3/30492 150.0 2.347 3.307 2.541 -0.000 0.553 -0.000 3/30492 160.0 2.180 3.099 2.357 -0.000 0.514 -0.000 3/30492 170.0 2.038 2.924 2.199 -0.000 0.482 -0.000 3/30492 180.0 1.915 2.776 2.063 -0.000 0.454 -0.000 3/30492 190.0 1.807 2.647 1.945 -0.000 0.429 -0.000 3/30492 200.0 1.712 2.534 1.840 -0.000 0.408 -0.000 3/30492 210.0 1.628 2.434 1.747 -0.000 0.388 -0.000 3/30492 220.0 1.552 2.343 1.664 -0.000 0.371 -0.000 3/30492 230.0 1.484 2.262 1.588 -0.000 0.356 -0.000 3/30492 240.0 1.421 2.187 1.520 -0.000 0.341 -0.000 3/30492 250.0 1.365 2.118 1.458 -0.000 0.329 -0.000 3/30492 260.0 1.313 2.054 1.401 -0.000 0.317 -0.000 3/30492 270.0 1.264 1.994 1.349 -0.000 0.306 -0.000 3/30492 280.0 1.220 1.938 1.300 -0.000 0.296 -0.000 3/30492 290.0 1.179 1.886 1.256 -0.000 0.286 -0.000 3/30492 300.0 1.140 1.837 1.214 -0.000 0.277 -0.000 3/30492 310.0 1.104 1.790 1.175 -0.000 0.269 -0.000 3/30492 320.0 1.071 1.745 1.138 -0.000 0.261 -0.000 3/30492 330.0 1.039 1.703 1.104 -0.000 0.254 -0.000 3/30492 340.0 1.010 1.663 1.072 -0.000 0.247 -0.000 3/30492 350.0 0.982 1.625 1.042 -0.000 0.240 -0.000 3/30492 360.0 0.955 1.588 1.013 -0.000 0.234 -0.000 3/30492 370.0 0.930 1.553 0.986 -0.000 0.228 -0.000 3/30492 380.0 0.906 1.519 0.961 -0.000 0.223 -0.000 3/30492 390.0 0.884 1.487 0.937 -0.000 0.218 -0.000 3/30492 400.0 0.862 1.456 0.914 -0.000 0.212 -0.000 3/30492 410.0 0.842 1.427 0.892 -0.000 0.208 -0.000 3/30492 420.0 0.822 1.398 0.871 -0.000 0.203 -0.000 3/30492 430.0 0.804 1.370 0.851 -0.000 0.199 -0.000 3/30492 440.0 0.786 1.344 0.832 -0.000 0.194 -0.000 3/30492 450.0 0.769 1.318 0.814 -0.000 0.190 -0.000 3/30492 460.0 0.753 1.294 0.796 -0.000 0.187 -0.000 3/30492 470.0 0.737 1.270 0.780 -0.000 0.183 -0.000 3/30492 480.0 0.722 1.247 0.764 -0.000 0.179 -0.000 3/30492 490.0 0.708 1.225 0.749 -0.000 0.176 -0.000 3/30492 500.0 0.694 1.204 0.734 -0.000 0.172 -0.000 3/30492 510.0 0.681 1.183 0.720 -0.000 0.169 -0.000 3/30492 520.0 0.668 1.163 0.706 -0.000 0.166 -0.000 3/30492 530.0 0.656 1.143 0.693 -0.000 0.163 -0.000 3/30492 540.0 0.644 1.125 0.680 -0.000 0.160 -0.000 3/30492 550.0 0.633 1.106 0.668 -0.000 0.158 -0.000 3/30492 560.0 0.622 1.089 0.656 -0.000 0.155 -0.000 3/30492 570.0 0.611 1.072 0.645 -0.000 0.152 -0.000 3/30492 580.0 0.601 1.055 0.634 -0.000 0.150 -0.000 3/30492 590.0 0.591 1.039 0.624 -0.000 0.147 -0.000 3/30492 600.0 0.581 1.023 0.613 -0.000 0.145 -0.000 3/30492 610.0 0.572 1.008 0.603 -0.000 0.143 -0.000 3/30492 620.0 0.563 0.993 0.594 -0.000 0.141 -0.000 3/30492 630.0 0.554 0.979 0.585 -0.000 0.138 -0.000 3/30492 640.0 0.546 0.965 0.576 -0.000 0.136 -0.000 3/30492 650.0 0.537 0.951 0.567 -0.000 0.134 -0.000 3/30492 660.0 0.529 0.938 0.558 -0.000 0.132 -0.000 3/30492 670.0 0.522 0.925 0.550 -0.000 0.130 -0.000 3/30492 680.0 0.514 0.912 0.542 -0.000 0.129 -0.000 3/30492 690.0 0.507 0.900 0.534 -0.000 0.127 -0.000 3/30492 700.0 0.500 0.888 0.527 -0.000 0.125 -0.000 3/30492 710.0 0.493 0.877 0.520 -0.000 0.123 -0.000 3/30492 720.0 0.486 0.865 0.512 -0.000 0.122 -0.000 3/30492 730.0 0.480 0.854 0.505 -0.000 0.120 -0.000 3/30492 740.0 0.473 0.844 0.499 -0.000 0.119 -0.000 3/30492 750.0 0.467 0.833 0.492 -0.000 0.117 -0.000 3/30492 760.0 0.461 0.823 0.486 -0.000 0.115 -0.000 3/30492 770.0 0.455 0.813 0.480 -0.000 0.114 -0.000 3/30492 780.0 0.449 0.803 0.473 -0.000 0.113 -0.000 3/30492 790.0 0.444 0.793 0.468 -0.000 0.111 -0.000 3/30492 800.0 0.438 0.784 0.462 -0.000 0.110 -0.000 3/30492 810.0 0.433 0.775 0.456 -0.000 0.109 -0.000 3/30492 820.0 0.428 0.766 0.451 -0.000 0.107 -0.000 3/30492 830.0 0.423 0.757 0.445 -0.000 0.106 -0.000 3/30492 840.0 0.418 0.749 0.440 -0.000 0.105 -0.000 3/30492 850.0 0.413 0.740 0.435 -0.000 0.104 -0.000 3/30492 860.0 0.408 0.732 0.430 -0.000 0.102 -0.000 3/30492 870.0 0.403 0.724 0.425 -0.000 0.101 -0.000 3/30492 880.0 0.399 0.716 0.420 -0.000 0.100 -0.000 3/30492 890.0 0.395 0.709 0.415 -0.000 0.099 -0.000 3/30492 900.0 0.390 0.701 0.411 -0.000 0.098 -0.000 3/30492 910.0 0.386 0.694 0.406 -0.000 0.097 -0.000 3/30492 920.0 0.382 0.687 0.402 -0.000 0.096 -0.000 3/30492 930.0 0.378 0.680 0.398 -0.000 0.095 -0.000 3/30492 940.0 0.374 0.673 0.394 -0.000 0.094 -0.000 3/30492 950.0 0.370 0.666 0.389 -0.000 0.093 -0.000 3/30492 960.0 0.366 0.659 0.385 -0.000 0.092 -0.000 3/30492 970.0 0.362 0.653 0.382 -0.000 0.091 -0.000 3/30492 980.0 0.359 0.646 0.378 -0.000 0.090 -0.000 3/30492 990.0 0.355 0.640 0.374 -0.000 0.089 -0.000 3/30492 1000.0 0.352 0.634 0.370 -0.000 0.088 -0.000 3/30492Thermal conductivity related properties were written into "kappa-m111114.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 04:29:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|