# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/191c904a-307b-4e5b-a374-8533355a6824/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 LiLa4AuO8 / Cmmm (65) / materials id 560605](https://mdr.nims.go.jp/datasets/8c7789ed-6869-4449-8d9d-2efbb9487358) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 16:07:49]-------------------------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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmmm (65)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 2.852137005000000 -6.173234130000000 0.000000000000000 b 2.852137005000000 6.173234130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.704598720000001Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 *2 La 0.64941443777113 0.35058556222887 0.50000000000000 138.905 *3 La 0.14878550544140 0.85121449455860 0.00000000000000 138.905 4 La 0.85121449455860 0.14878550544140 0.00000000000000 138.905 5 La 0.35058556222887 0.64941443777113 0.50000000000000 138.905 *6 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 *7 O 0.00000000000000 0.50000000000000 0.24928860095332 15.999 8 O 0.50000000000000 0.00000000000000 0.75071139904668 15.999 9 O 0.00000000000000 0.50000000000000 0.75071139904668 15.999 *10 O 0.24848058038027 0.24848058038027 0.74834948598146 15.999 11 O 0.50000000000000 0.00000000000000 0.24928860095332 15.999 12 O 0.24848058038027 0.24848058038027 0.25165051401854 15.999 13 O 0.75151941961973 0.75151941961973 0.25165051401854 15.999 14 O 0.75151941961973 0.75151941961973 0.74834948598146 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.704274010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.346468260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.704598720000001Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 *3 La 0.50000000000000 0.85058556222887 0.50000000000000 138.905 > 2 *4 La 0.00000000000000 0.85121449455860 0.00000000000000 138.905 > 3 5 La 0.50000000000000 0.64878550544140 0.00000000000000 138.905 > 4 6 La 0.00000000000000 0.64941443777113 0.50000000000000 138.905 > 5 7 La 0.00000000000000 0.35058556222887 0.50000000000000 138.905 > 2 8 La 0.50000000000000 0.35121449455860 0.00000000000000 138.905 > 3 9 La 0.00000000000000 0.14878550544140 0.00000000000000 138.905 > 4 10 La 0.50000000000000 0.14941443777113 0.50000000000000 138.905 > 5 *11 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 6 12 Au 0.50000000000000 0.50000000000000 0.50000000000000 196.967 > 6 *13 O 0.75000000000000 0.75000000000000 0.24928860095332 15.999 > 7 14 O 0.25000000000000 0.75000000000000 0.75071139904668 15.999 > 8 15 O 0.75000000000000 0.75000000000000 0.75071139904668 15.999 > 9 *16 O 0.24848058038027 0.00000000000000 0.74834948598146 15.999 > 10 17 O 0.25000000000000 0.75000000000000 0.24928860095332 15.999 > 11 18 O 0.24848058038027 0.00000000000000 0.25165051401854 15.999 > 12 19 O 0.75151941961973 0.00000000000000 0.25165051401854 15.999 > 13 20 O 0.75151941961973 0.00000000000000 0.74834948598146 15.999 > 14 21 O 0.25000000000000 0.25000000000000 0.24928860095332 15.999 > 7 22 O 0.75000000000000 0.25000000000000 0.75071139904668 15.999 > 8 23 O 0.25000000000000 0.25000000000000 0.75071139904668 15.999 > 9 24 O 0.74848058038027 0.50000000000000 0.74834948598146 15.999 > 10 25 O 0.75000000000000 0.25000000000000 0.24928860095332 15.999 > 11 26 O 0.74848058038027 0.50000000000000 0.25165051401854 15.999 > 12 27 O 0.25151941961973 0.50000000000000 0.25165051401854 15.999 > 13 28 O 0.25151941961973 0.50000000000000 0.74834948598146 15.999 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 11.408548020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.346468260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.409197440000002Atomic positions (fractional): *1 Li 0.25000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.75000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.25000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.75000000000000 0.00000000000000 0.50000000000000 6.941 > 1 5 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 6 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 *9 La 0.25000000000000 0.85058556222887 0.25000000000000 138.905 > 2 10 La 0.75000000000000 0.85058556222887 0.25000000000000 138.905 > 2 11 La 0.25000000000000 0.85058556222887 0.75000000000000 138.905 > 2 12 La 0.75000000000000 0.85058556222887 0.75000000000000 138.905 > 2 *13 La 0.00000000000000 0.85121449455860 0.00000000000000 138.905 > 3 14 La 0.50000000000000 0.85121449455860 0.00000000000000 138.905 > 3 15 La 0.00000000000000 0.85121449455860 0.50000000000000 138.905 > 3 16 La 0.50000000000000 0.85121449455860 0.50000000000000 138.905 > 3 17 La 0.25000000000000 0.64878550544140 0.00000000000000 138.905 > 4 18 La 0.75000000000000 0.64878550544140 0.00000000000000 138.905 > 4 19 La 0.25000000000000 0.64878550544140 0.50000000000000 138.905 > 4 20 La 0.75000000000000 0.64878550544140 0.50000000000000 138.905 > 4 21 La 0.00000000000000 0.64941443777113 0.25000000000000 138.905 > 5 22 La 0.50000000000000 0.64941443777113 0.25000000000000 138.905 > 5 23 La 0.00000000000000 0.64941443777113 0.75000000000000 138.905 > 5 24 La 0.50000000000000 0.64941443777113 0.75000000000000 138.905 > 5 25 La 0.00000000000000 0.35058556222887 0.25000000000000 138.905 > 2 26 La 0.50000000000000 0.35058556222887 0.25000000000000 138.905 > 2 27 La 0.00000000000000 0.35058556222887 0.75000000000000 138.905 > 2 28 La 0.50000000000000 0.35058556222887 0.75000000000000 138.905 > 2 29 La 0.25000000000000 0.35121449455860 0.00000000000000 138.905 > 3 30 La 0.75000000000000 0.35121449455860 0.00000000000000 138.905 > 3 31 La 0.25000000000000 0.35121449455860 0.50000000000000 138.905 > 3 32 La 0.75000000000000 0.35121449455860 0.50000000000000 138.905 > 3 33 La 0.00000000000000 0.14878550544140 0.00000000000000 138.905 > 4 34 La 0.50000000000000 0.14878550544140 0.00000000000000 138.905 > 4 35 La 0.00000000000000 0.14878550544140 0.50000000000000 138.905 > 4 36 La 0.50000000000000 0.14878550544140 0.50000000000000 138.905 > 4 37 La 0.25000000000000 0.14941443777113 0.25000000000000 138.905 > 5 38 La 0.75000000000000 0.14941443777113 0.25000000000000 138.905 > 5 39 La 0.25000000000000 0.14941443777113 0.75000000000000 138.905 > 5 40 La 0.75000000000000 0.14941443777113 0.75000000000000 138.905 > 5 *41 Au 0.00000000000000 0.00000000000000 0.25000000000000 196.967 > 6 42 Au 0.50000000000000 0.00000000000000 0.25000000000000 196.967 > 6 43 Au 0.00000000000000 0.00000000000000 0.75000000000000 196.967 > 6 44 Au 0.50000000000000 0.00000000000000 0.75000000000000 196.967 > 6 45 Au 0.25000000000000 0.50000000000000 0.25000000000000 196.967 > 6 46 Au 0.75000000000000 0.50000000000000 0.25000000000000 196.967 > 6 47 Au 0.25000000000000 0.50000000000000 0.75000000000000 196.967 > 6 48 Au 0.75000000000000 0.50000000000000 0.75000000000000 196.967 > 6 *49 O 0.37500000000000 0.75000000000000 0.12464430047666 15.999 > 7 50 O 0.87500000000000 0.75000000000000 0.12464430047666 15.999 > 7 51 O 0.37500000000000 0.75000000000000 0.62464430047666 15.999 > 7 52 O 0.87500000000000 0.75000000000000 0.62464430047666 15.999 > 7 53 O 0.12500000000000 0.75000000000000 0.37535569952334 15.999 > 8 54 O 0.62500000000000 0.75000000000000 0.37535569952334 15.999 > 8 55 O 0.12500000000000 0.75000000000000 0.87535569952334 15.999 > 8 56 O 0.62500000000000 0.75000000000000 0.87535569952334 15.999 > 8 57 O 0.37500000000000 0.75000000000000 0.37535569952334 15.999 > 9 58 O 0.87500000000000 0.75000000000000 0.37535569952334 15.999 > 9 59 O 0.37500000000000 0.75000000000000 0.87535569952334 15.999 > 9 60 O 0.87500000000000 0.75000000000000 0.87535569952334 15.999 > 9 *61 O 0.12424029019014 0.00000000000000 0.37417474299073 15.999 > 10 62 O 0.62424029019014 0.00000000000000 0.37417474299073 15.999 > 10 63 O 0.12424029019014 0.00000000000000 0.87417474299073 15.999 > 10 64 O 0.62424029019014 0.00000000000000 0.87417474299073 15.999 > 10 65 O 0.12500000000000 0.75000000000000 0.12464430047666 15.999 > 11 66 O 0.62500000000000 0.75000000000000 0.12464430047666 15.999 > 11 67 O 0.12500000000000 0.75000000000000 0.62464430047666 15.999 > 11 68 O 0.62500000000000 0.75000000000000 0.62464430047666 15.999 > 11 69 O 0.12424029019014 0.00000000000000 0.12582525700927 15.999 > 12 70 O 0.62424029019014 0.00000000000000 0.12582525700927 15.999 > 12 71 O 0.12424029019014 0.00000000000000 0.62582525700927 15.999 > 12 72 O 0.62424029019014 0.00000000000000 0.62582525700927 15.999 > 12 73 O 0.37575970980986 0.00000000000000 0.12582525700927 15.999 > 13 74 O 0.87575970980986 0.00000000000000 0.12582525700927 15.999 > 13 75 O 0.37575970980986 0.00000000000000 0.62582525700927 15.999 > 13 76 O 0.87575970980986 0.00000000000000 0.62582525700927 15.999 > 13 77 O 0.37575970980986 0.00000000000000 0.37417474299073 15.999 > 14 78 O 0.87575970980986 0.00000000000000 0.37417474299073 15.999 > 14 79 O 0.37575970980986 0.00000000000000 0.87417474299073 15.999 > 14 80 O 0.87575970980986 0.00000000000000 0.87417474299073 15.999 > 14 81 O 0.12500000000000 0.25000000000000 0.12464430047666 15.999 > 7 82 O 0.62500000000000 0.25000000000000 0.12464430047666 15.999 > 7 83 O 0.12500000000000 0.25000000000000 0.62464430047666 15.999 > 7 84 O 0.62500000000000 0.25000000000000 0.62464430047666 15.999 > 7 85 O 0.37500000000000 0.25000000000000 0.37535569952334 15.999 > 8 86 O 0.87500000000000 0.25000000000000 0.37535569952334 15.999 > 8 87 O 0.37500000000000 0.25000000000000 0.87535569952334 15.999 > 8 88 O 0.87500000000000 0.25000000000000 0.87535569952334 15.999 > 8 89 O 0.12500000000000 0.25000000000000 0.37535569952334 15.999 > 9 90 O 0.62500000000000 0.25000000000000 0.37535569952334 15.999 > 9 91 O 0.12500000000000 0.25000000000000 0.87535569952334 15.999 > 9 92 O 0.62500000000000 0.25000000000000 0.87535569952334 15.999 > 9 93 O 0.37424029019014 0.50000000000000 0.37417474299073 15.999 > 10 94 O 0.87424029019014 0.50000000000000 0.37417474299073 15.999 > 10 95 O 0.37424029019014 0.50000000000000 0.87417474299073 15.999 > 10 96 O 0.87424029019014 0.50000000000000 0.87417474299073 15.999 > 10 97 O 0.37500000000000 0.25000000000000 0.12464430047666 15.999 > 11 98 O 0.87500000000000 0.25000000000000 0.12464430047666 15.999 > 11 99 O 0.37500000000000 0.25000000000000 0.62464430047666 15.999 > 11 100 O 0.87500000000000 0.25000000000000 0.62464430047666 15.999 > 11 101 O 0.37424029019014 0.50000000000000 0.12582525700927 15.999 > 12 102 O 0.87424029019014 0.50000000000000 0.12582525700927 15.999 > 12 103 O 0.37424029019014 0.50000000000000 0.62582525700927 15.999 > 12 104 O 0.87424029019014 0.50000000000000 0.62582525700927 15.999 > 12 105 O 0.12575970980986 0.50000000000000 0.12582525700927 15.999 > 13 106 O 0.62575970980986 0.50000000000000 0.12582525700927 15.999 > 13 107 O 0.12575970980986 0.50000000000000 0.62582525700927 15.999 > 13 108 O 0.62575970980986 0.50000000000000 0.62582525700927 15.999 > 13 109 O 0.12575970980986 0.50000000000000 0.37417474299073 15.999 > 14 110 O 0.62575970980986 0.50000000000000 0.37417474299073 15.999 > 14 111 O 0.12575970980986 0.50000000000000 0.87417474299073 15.999 > 14 112 O 0.62575970980986 0.50000000000000 0.87417474299073 15.999 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.0852103 0.0000000 0.0000000 0.0000000 4.5145673 0.0000000 0.0000000 0.0000000 5.0867970-------------------------- Born effective charges -------------------------- 1 Li 1.7647809 0.0000000 0.0000000 0.0000000 0.8535676 0.0000000 0.0000000 0.0000000 1.7663271 2 La 4.7748987 0.0000000 0.0000000 0.0000000 4.1494438 0.0000000 0.0000000 0.0000000 3.5161583 3 La 3.5987680 0.0000000 0.0000000 0.0000000 4.0795483 0.0000000 0.0000000 0.0000000 4.8708253 4 La 3.5987680 0.0000000 0.0000000 0.0000000 4.0795483 0.0000000 0.0000000 0.0000000 4.8708253 5 La 4.7748987 0.0000000 0.0000000 0.0000000 4.1494438 0.0000000 0.0000000 0.0000000 3.5161583 6 Au 1.8772316 0.0000000 0.0000000 0.0000000 -0.2576004 0.0000000 0.0000000 0.0000000 1.8723178 7 O -2.8947557 -0.1119198 0.0000000 -0.0726896 -2.3715166 0.0000000 0.0000000 0.0000000 -2.8973070 8 O -2.8947557 0.1119198 0.0000000 0.0726896 -2.3715166 0.0000000 0.0000000 0.0000000 -2.8973070 9 O -2.8947557 -0.1119198 0.0000000 -0.0726896 -2.3715166 0.0000000 0.0000000 0.0000000 -2.8973070 10 O -2.2025808 0.0000000 -0.2682024 0.0000000 -1.8919713 0.0000000 -0.2670900 0.0000000 -2.2058460 11 O -2.8947557 0.1119198 0.0000000 0.0726896 -2.3715166 0.0000000 0.0000000 0.0000000 -2.8973070 12 O -2.2025808 0.0000000 0.2682024 0.0000000 -1.8919713 0.0000000 0.2670900 0.0000000 -2.2058460 13 O -2.2025808 0.0000000 -0.2682024 0.0000000 -1.8919713 0.0000000 -0.2670900 0.0000000 -2.2058460 14 O -2.2025808 0.0000000 0.2682024 0.0000000 -1.8919713 0.0000000 0.2670900 0.0000000 -2.2058460----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 336/336Permutation basis: 8700/8700Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1059Number of blocks in projector: 1067Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 194Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 187Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 187Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 187Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 144Use standard eigh solver.Tree of FC basis block matrices:- (1059, 1037), data: False|-- (144, 144), data: True|-- (160, 158), data: True|-- (187, 181), data: True|-- (187, 181), data: True|-- (187, 181), data: True|-- (194, 192), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 240 - Time: 1.111Solver_block: 200 / 240 - Time: 1.130Solver_block: 240 / 240 - Time: 0.528Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.793--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336Permutation basis: 8700/8700Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1059Number of blocks in projector: 1067Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 194Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 187Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 187Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 187Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 144Use standard eigh solver.Tree of FC basis block matrices:- (1059, 1037), data: False|-- (144, 144), data: True|-- (160, 158), data: True|-- (187, 181), data: True|-- (187, 181), data: True|-- (187, 181), data: True|-- (194, 192), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 16:08:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 16:08:03]-------------------------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 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmmm (65)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.852137005000000 -6.173234130000000 0.000000000000000 b 2.852137005000000 6.173234130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.704598720000001Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 2 La 0.64941443777113 0.35058556222887 0.50000000000000 138.905 3 La 0.14878550544140 0.85121449455860 0.00000000000000 138.905 4 La 0.85121449455860 0.14878550544140 0.00000000000000 138.905 5 La 0.35058556222887 0.64941443777113 0.50000000000000 138.905 6 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 7 O 0.00000000000000 0.50000000000000 0.24928860095332 15.999 8 O 0.50000000000000 0.00000000000000 0.75071139904668 15.999 9 O 0.00000000000000 0.50000000000000 0.75071139904668 15.999 10 O 0.24848058038027 0.24848058038027 0.74834948598146 15.999 11 O 0.50000000000000 0.00000000000000 0.24928860095332 15.999 12 O 0.24848058038027 0.24848058038027 0.25165051401854 15.999 13 O 0.75151941961973 0.75151941961973 0.25165051401854 15.999 14 O 0.75151941961973 0.75151941961973 0.74834948598146 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.408548020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.346468260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.409197440000002Atomic positions (fractional): 1 Li 0.25000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.75000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.25000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.75000000000000 0.00000000000000 0.50000000000000 6.941 > 1 5 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 6 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 La 0.25000000000000 0.85058556222887 0.25000000000000 138.905 > 9 10 La 0.75000000000000 0.85058556222887 0.25000000000000 138.905 > 9 11 La 0.25000000000000 0.85058556222887 0.75000000000000 138.905 > 9 12 La 0.75000000000000 0.85058556222887 0.75000000000000 138.905 > 9 13 La 0.00000000000000 0.85121449455860 0.00000000000000 138.905 > 13 14 La 0.50000000000000 0.85121449455860 0.00000000000000 138.905 > 13 15 La 0.00000000000000 0.85121449455860 0.50000000000000 138.905 > 13 16 La 0.50000000000000 0.85121449455860 0.50000000000000 138.905 > 13 17 La 0.25000000000000 0.64878550544140 0.00000000000000 138.905 > 17 18 La 0.75000000000000 0.64878550544140 0.00000000000000 138.905 > 17 19 La 0.25000000000000 0.64878550544140 0.50000000000000 138.905 > 17 20 La 0.75000000000000 0.64878550544140 0.50000000000000 138.905 > 17 21 La 0.00000000000000 0.64941443777113 0.25000000000000 138.905 > 21 22 La 0.50000000000000 0.64941443777113 0.25000000000000 138.905 > 21 23 La 0.00000000000000 0.64941443777113 0.75000000000000 138.905 > 21 24 La 0.50000000000000 0.64941443777113 0.75000000000000 138.905 > 21 25 La 0.00000000000000 0.35058556222887 0.25000000000000 138.905 > 9 26 La 0.50000000000000 0.35058556222887 0.25000000000000 138.905 > 9 27 La 0.00000000000000 0.35058556222887 0.75000000000000 138.905 > 9 28 La 0.50000000000000 0.35058556222887 0.75000000000000 138.905 > 9 29 La 0.25000000000000 0.35121449455860 0.00000000000000 138.905 > 13 30 La 0.75000000000000 0.35121449455860 0.00000000000000 138.905 > 13 31 La 0.25000000000000 0.35121449455860 0.50000000000000 138.905 > 13 32 La 0.75000000000000 0.35121449455860 0.50000000000000 138.905 > 13 33 La 0.00000000000000 0.14878550544140 0.00000000000000 138.905 > 17 34 La 0.50000000000000 0.14878550544140 0.00000000000000 138.905 > 17 35 La 0.00000000000000 0.14878550544140 0.50000000000000 138.905 > 17 36 La 0.50000000000000 0.14878550544140 0.50000000000000 138.905 > 17 37 La 0.25000000000000 0.14941443777113 0.25000000000000 138.905 > 21 38 La 0.75000000000000 0.14941443777113 0.25000000000000 138.905 > 21 39 La 0.25000000000000 0.14941443777113 0.75000000000000 138.905 > 21 40 La 0.75000000000000 0.14941443777113 0.75000000000000 138.905 > 21 41 Au 0.00000000000000 0.00000000000000 0.25000000000000 196.967 > 41 42 Au 0.50000000000000 0.00000000000000 0.25000000000000 196.967 > 41 43 Au 0.00000000000000 0.00000000000000 0.75000000000000 196.967 > 41 44 Au 0.50000000000000 0.00000000000000 0.75000000000000 196.967 > 41 45 Au 0.25000000000000 0.50000000000000 0.25000000000000 196.967 > 41 46 Au 0.75000000000000 0.50000000000000 0.25000000000000 196.967 > 41 47 Au 0.25000000000000 0.50000000000000 0.75000000000000 196.967 > 41 48 Au 0.75000000000000 0.50000000000000 0.75000000000000 196.967 > 41 49 O 0.37500000000000 0.75000000000000 0.12464430047666 15.999 > 49 50 O 0.87500000000000 0.75000000000000 0.12464430047666 15.999 > 49 51 O 0.37500000000000 0.75000000000000 0.62464430047666 15.999 > 49 52 O 0.87500000000000 0.75000000000000 0.62464430047666 15.999 > 49 53 O 0.12500000000000 0.75000000000000 0.37535569952334 15.999 > 53 54 O 0.62500000000000 0.75000000000000 0.37535569952334 15.999 > 53 55 O 0.12500000000000 0.75000000000000 0.87535569952334 15.999 > 53 56 O 0.62500000000000 0.75000000000000 0.87535569952334 15.999 > 53 57 O 0.37500000000000 0.75000000000000 0.37535569952334 15.999 > 57 58 O 0.87500000000000 0.75000000000000 0.37535569952334 15.999 > 57 59 O 0.37500000000000 0.75000000000000 0.87535569952334 15.999 > 57 60 O 0.87500000000000 0.75000000000000 0.87535569952334 15.999 > 57 61 O 0.12424029019014 0.00000000000000 0.37417474299073 15.999 > 61 62 O 0.62424029019014 0.00000000000000 0.37417474299073 15.999 > 61 63 O 0.12424029019014 0.00000000000000 0.87417474299073 15.999 > 61 64 O 0.62424029019014 0.00000000000000 0.87417474299073 15.999 > 61 65 O 0.12500000000000 0.75000000000000 0.12464430047666 15.999 > 65 66 O 0.62500000000000 0.75000000000000 0.12464430047666 15.999 > 65 67 O 0.12500000000000 0.75000000000000 0.62464430047666 15.999 > 65 68 O 0.62500000000000 0.75000000000000 0.62464430047666 15.999 > 65 69 O 0.12424029019014 0.00000000000000 0.12582525700927 15.999 > 69 70 O 0.62424029019014 0.00000000000000 0.12582525700927 15.999 > 69 71 O 0.12424029019014 0.00000000000000 0.62582525700927 15.999 > 69 72 O 0.62424029019014 0.00000000000000 0.62582525700927 15.999 > 69 73 O 0.37575970980986 0.00000000000000 0.12582525700927 15.999 > 73 74 O 0.87575970980986 0.00000000000000 0.12582525700927 15.999 > 73 75 O 0.37575970980986 0.00000000000000 0.62582525700927 15.999 > 73 76 O 0.87575970980986 0.00000000000000 0.62582525700927 15.999 > 73 77 O 0.37575970980986 0.00000000000000 0.37417474299073 15.999 > 77 78 O 0.87575970980986 0.00000000000000 0.37417474299073 15.999 > 77 79 O 0.37575970980986 0.00000000000000 0.87417474299073 15.999 > 77 80 O 0.87575970980986 0.00000000000000 0.87417474299073 15.999 > 77 81 O 0.12500000000000 0.25000000000000 0.12464430047666 15.999 > 49 82 O 0.62500000000000 0.25000000000000 0.12464430047666 15.999 > 49 83 O 0.12500000000000 0.25000000000000 0.62464430047666 15.999 > 49 84 O 0.62500000000000 0.25000000000000 0.62464430047666 15.999 > 49 85 O 0.37500000000000 0.25000000000000 0.37535569952334 15.999 > 53 86 O 0.87500000000000 0.25000000000000 0.37535569952334 15.999 > 53 87 O 0.37500000000000 0.25000000000000 0.87535569952334 15.999 > 53 88 O 0.87500000000000 0.25000000000000 0.87535569952334 15.999 > 53 89 O 0.12500000000000 0.25000000000000 0.37535569952334 15.999 > 57 90 O 0.62500000000000 0.25000000000000 0.37535569952334 15.999 > 57 91 O 0.12500000000000 0.25000000000000 0.87535569952334 15.999 > 57 92 O 0.62500000000000 0.25000000000000 0.87535569952334 15.999 > 57 93 O 0.37424029019014 0.50000000000000 0.37417474299073 15.999 > 61 94 O 0.87424029019014 0.50000000000000 0.37417474299073 15.999 > 61 95 O 0.37424029019014 0.50000000000000 0.87417474299073 15.999 > 61 96 O 0.87424029019014 0.50000000000000 0.87417474299073 15.999 > 61 97 O 0.37500000000000 0.25000000000000 0.12464430047666 15.999 > 65 98 O 0.87500000000000 0.25000000000000 0.12464430047666 15.999 > 65 99 O 0.37500000000000 0.25000000000000 0.62464430047666 15.999 > 65 100 O 0.87500000000000 0.25000000000000 0.62464430047666 15.999 > 65 101 O 0.37424029019014 0.50000000000000 0.12582525700927 15.999 > 69 102 O 0.87424029019014 0.50000000000000 0.12582525700927 15.999 > 69 103 O 0.37424029019014 0.50000000000000 0.62582525700927 15.999 > 69 104 O 0.87424029019014 0.50000000000000 0.62582525700927 15.999 > 69 105 O 0.12575970980986 0.50000000000000 0.12582525700927 15.999 > 73 106 O 0.62575970980986 0.50000000000000 0.12582525700927 15.999 > 73 107 O 0.12575970980986 0.50000000000000 0.62582525700927 15.999 > 73 108 O 0.62575970980986 0.50000000000000 0.62582525700927 15.999 > 73 109 O 0.12575970980986 0.50000000000000 0.37417474299073 15.999 > 77 110 O 0.62575970980986 0.50000000000000 0.37417474299073 15.999 > 77 111 O 0.12575970980986 0.50000000000000 0.87417474299073 15.999 > 77 112 O 0.62575970980986 0.50000000000000 0.87417474299073 15.999 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.0852103 0.0000000 0.0000000 0.0000000 4.5145673 0.0000000 0.0000000 0.0000000 5.0867970-------------------------- Born effective charges -------------------------- 1 Li 1.7647809 0.0000000 0.0000000 0.0000000 0.8535676 0.0000000 0.0000000 0.0000000 1.7663271 2 La 4.7748987 0.0000000 0.0000000 0.0000000 4.1494438 0.0000000 0.0000000 0.0000000 3.5161583 3 La 3.5987680 0.0000000 0.0000000 0.0000000 4.0795483 0.0000000 0.0000000 0.0000000 4.8708253 4 La 3.5987680 0.0000000 0.0000000 0.0000000 4.0795483 0.0000000 0.0000000 0.0000000 4.8708253 5 La 4.7748987 0.0000000 0.0000000 0.0000000 4.1494438 0.0000000 0.0000000 0.0000000 3.5161583 6 Au 1.8772316 0.0000000 0.0000000 0.0000000 -0.2576004 0.0000000 0.0000000 0.0000000 1.8723178 7 O -2.8947557 -0.1119198 0.0000000 -0.0726896 -2.3715166 0.0000000 0.0000000 0.0000000 -2.8973070 8 O -2.8947557 0.1119198 0.0000000 0.0726896 -2.3715166 0.0000000 0.0000000 0.0000000 -2.8973070 9 O -2.8947557 -0.1119198 0.0000000 -0.0726896 -2.3715166 0.0000000 0.0000000 0.0000000 -2.8973070 10 O -2.2025808 0.0000000 -0.2682024 0.0000000 -1.8919713 0.0000000 -0.2670900 0.0000000 -2.2058460 11 O -2.8947557 0.1119198 0.0000000 0.0726896 -2.3715166 0.0000000 0.0000000 0.0000000 -2.8973070 12 O -2.2025808 0.0000000 0.2682024 0.0000000 -1.8919713 0.0000000 0.2670900 0.0000000 -2.2058460 13 O -2.2025808 0.0000000 -0.2682024 0.0000000 -1.8919713 0.0000000 -0.2670900 0.0000000 -2.2058460 14 O -2.2025808 0.0000000 0.2682024 0.0000000 -1.8919713 0.0000000 0.2670900 0.0000000 -2.2058460----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 9, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 13, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 41, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 61, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000005 (xxx) -0.00000005 (xxx) -0.00000005 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 16:08:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 16:08:18]-------------------------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 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmmm (65)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.852137005000000 -6.173234130000000 0.000000000000000 b 2.852137005000000 6.173234130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.704598720000001Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 2 La 0.64941443777113 0.35058556222887 0.50000000000000 138.905 3 La 0.14878550544140 0.85121449455860 0.00000000000000 138.905 4 La 0.85121449455860 0.14878550544140 0.00000000000000 138.905 5 La 0.35058556222887 0.64941443777113 0.50000000000000 138.905 6 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 7 O 0.00000000000000 0.50000000000000 0.24928860095332 15.999 8 O 0.50000000000000 0.00000000000000 0.75071139904668 15.999 9 O 0.00000000000000 0.50000000000000 0.75071139904668 15.999 10 O 0.24848058038027 0.24848058038027 0.74834948598146 15.999 11 O 0.50000000000000 0.00000000000000 0.24928860095332 15.999 12 O 0.24848058038027 0.24848058038027 0.25165051401854 15.999 13 O 0.75151941961973 0.75151941961973 0.25165051401854 15.999 14 O 0.75151941961973 0.75151941961973 0.74834948598146 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.408548020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.346468260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.409197440000002Atomic positions (fractional): 1 Li 0.25000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.75000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.25000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.75000000000000 0.00000000000000 0.50000000000000 6.941 > 1 5 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 6 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 La 0.25000000000000 0.85058556222887 0.25000000000000 138.905 > 9 10 La 0.75000000000000 0.85058556222887 0.25000000000000 138.905 > 9 11 La 0.25000000000000 0.85058556222887 0.75000000000000 138.905 > 9 12 La 0.75000000000000 0.85058556222887 0.75000000000000 138.905 > 9 13 La 0.00000000000000 0.85121449455860 0.00000000000000 138.905 > 13 14 La 0.50000000000000 0.85121449455860 0.00000000000000 138.905 > 13 15 La 0.00000000000000 0.85121449455860 0.50000000000000 138.905 > 13 16 La 0.50000000000000 0.85121449455860 0.50000000000000 138.905 > 13 17 La 0.25000000000000 0.64878550544140 0.00000000000000 138.905 > 17 18 La 0.75000000000000 0.64878550544140 0.00000000000000 138.905 > 17 19 La 0.25000000000000 0.64878550544140 0.50000000000000 138.905 > 17 20 La 0.75000000000000 0.64878550544140 0.50000000000000 138.905 > 17 21 La 0.00000000000000 0.64941443777113 0.25000000000000 138.905 > 21 22 La 0.50000000000000 0.64941443777113 0.25000000000000 138.905 > 21 23 La 0.00000000000000 0.64941443777113 0.75000000000000 138.905 > 21 24 La 0.50000000000000 0.64941443777113 0.75000000000000 138.905 > 21 25 La 0.00000000000000 0.35058556222887 0.25000000000000 138.905 > 9 26 La 0.50000000000000 0.35058556222887 0.25000000000000 138.905 > 9 27 La 0.00000000000000 0.35058556222887 0.75000000000000 138.905 > 9 28 La 0.50000000000000 0.35058556222887 0.75000000000000 138.905 > 9 29 La 0.25000000000000 0.35121449455860 0.00000000000000 138.905 > 13 30 La 0.75000000000000 0.35121449455860 0.00000000000000 138.905 > 13 31 La 0.25000000000000 0.35121449455860 0.50000000000000 138.905 > 13 32 La 0.75000000000000 0.35121449455860 0.50000000000000 138.905 > 13 33 La 0.00000000000000 0.14878550544140 0.00000000000000 138.905 > 17 34 La 0.50000000000000 0.14878550544140 0.00000000000000 138.905 > 17 35 La 0.00000000000000 0.14878550544140 0.50000000000000 138.905 > 17 36 La 0.50000000000000 0.14878550544140 0.50000000000000 138.905 > 17 37 La 0.25000000000000 0.14941443777113 0.25000000000000 138.905 > 21 38 La 0.75000000000000 0.14941443777113 0.25000000000000 138.905 > 21 39 La 0.25000000000000 0.14941443777113 0.75000000000000 138.905 > 21 40 La 0.75000000000000 0.14941443777113 0.75000000000000 138.905 > 21 41 Au 0.00000000000000 0.00000000000000 0.25000000000000 196.967 > 41 42 Au 0.50000000000000 0.00000000000000 0.25000000000000 196.967 > 41 43 Au 0.00000000000000 0.00000000000000 0.75000000000000 196.967 > 41 44 Au 0.50000000000000 0.00000000000000 0.75000000000000 196.967 > 41 45 Au 0.25000000000000 0.50000000000000 0.25000000000000 196.967 > 41 46 Au 0.75000000000000 0.50000000000000 0.25000000000000 196.967 > 41 47 Au 0.25000000000000 0.50000000000000 0.75000000000000 196.967 > 41 48 Au 0.75000000000000 0.50000000000000 0.75000000000000 196.967 > 41 49 O 0.37500000000000 0.75000000000000 0.12464430047666 15.999 > 49 50 O 0.87500000000000 0.75000000000000 0.12464430047666 15.999 > 49 51 O 0.37500000000000 0.75000000000000 0.62464430047666 15.999 > 49 52 O 0.87500000000000 0.75000000000000 0.62464430047666 15.999 > 49 53 O 0.12500000000000 0.75000000000000 0.37535569952334 15.999 > 53 54 O 0.62500000000000 0.75000000000000 0.37535569952334 15.999 > 53 55 O 0.12500000000000 0.75000000000000 0.87535569952334 15.999 > 53 56 O 0.62500000000000 0.75000000000000 0.87535569952334 15.999 > 53 57 O 0.37500000000000 0.75000000000000 0.37535569952334 15.999 > 57 58 O 0.87500000000000 0.75000000000000 0.37535569952334 15.999 > 57 59 O 0.37500000000000 0.75000000000000 0.87535569952334 15.999 > 57 60 O 0.87500000000000 0.75000000000000 0.87535569952334 15.999 > 57 61 O 0.12424029019014 0.00000000000000 0.37417474299073 15.999 > 61 62 O 0.62424029019014 0.00000000000000 0.37417474299073 15.999 > 61 63 O 0.12424029019014 0.00000000000000 0.87417474299073 15.999 > 61 64 O 0.62424029019014 0.00000000000000 0.87417474299073 15.999 > 61 65 O 0.12500000000000 0.75000000000000 0.12464430047666 15.999 > 65 66 O 0.62500000000000 0.75000000000000 0.12464430047666 15.999 > 65 67 O 0.12500000000000 0.75000000000000 0.62464430047666 15.999 > 65 68 O 0.62500000000000 0.75000000000000 0.62464430047666 15.999 > 65 69 O 0.12424029019014 0.00000000000000 0.12582525700927 15.999 > 69 70 O 0.62424029019014 0.00000000000000 0.12582525700927 15.999 > 69 71 O 0.12424029019014 0.00000000000000 0.62582525700927 15.999 > 69 72 O 0.62424029019014 0.00000000000000 0.62582525700927 15.999 > 69 73 O 0.37575970980986 0.00000000000000 0.12582525700927 15.999 > 73 74 O 0.87575970980986 0.00000000000000 0.12582525700927 15.999 > 73 75 O 0.37575970980986 0.00000000000000 0.62582525700927 15.999 > 73 76 O 0.87575970980986 0.00000000000000 0.62582525700927 15.999 > 73 77 O 0.37575970980986 0.00000000000000 0.37417474299073 15.999 > 77 78 O 0.87575970980986 0.00000000000000 0.37417474299073 15.999 > 77 79 O 0.37575970980986 0.00000000000000 0.87417474299073 15.999 > 77 80 O 0.87575970980986 0.00000000000000 0.87417474299073 15.999 > 77 81 O 0.12500000000000 0.25000000000000 0.12464430047666 15.999 > 49 82 O 0.62500000000000 0.25000000000000 0.12464430047666 15.999 > 49 83 O 0.12500000000000 0.25000000000000 0.62464430047666 15.999 > 49 84 O 0.62500000000000 0.25000000000000 0.62464430047666 15.999 > 49 85 O 0.37500000000000 0.25000000000000 0.37535569952334 15.999 > 53 86 O 0.87500000000000 0.25000000000000 0.37535569952334 15.999 > 53 87 O 0.37500000000000 0.25000000000000 0.87535569952334 15.999 > 53 88 O 0.87500000000000 0.25000000000000 0.87535569952334 15.999 > 53 89 O 0.12500000000000 0.25000000000000 0.37535569952334 15.999 > 57 90 O 0.62500000000000 0.25000000000000 0.37535569952334 15.999 > 57 91 O 0.12500000000000 0.25000000000000 0.87535569952334 15.999 > 57 92 O 0.62500000000000 0.25000000000000 0.87535569952334 15.999 > 57 93 O 0.37424029019014 0.50000000000000 0.37417474299073 15.999 > 61 94 O 0.87424029019014 0.50000000000000 0.37417474299073 15.999 > 61 95 O 0.37424029019014 0.50000000000000 0.87417474299073 15.999 > 61 96 O 0.87424029019014 0.50000000000000 0.87417474299073 15.999 > 61 97 O 0.37500000000000 0.25000000000000 0.12464430047666 15.999 > 65 98 O 0.87500000000000 0.25000000000000 0.12464430047666 15.999 > 65 99 O 0.37500000000000 0.25000000000000 0.62464430047666 15.999 > 65 100 O 0.87500000000000 0.25000000000000 0.62464430047666 15.999 > 65 101 O 0.37424029019014 0.50000000000000 0.12582525700927 15.999 > 69 102 O 0.87424029019014 0.50000000000000 0.12582525700927 15.999 > 69 103 O 0.37424029019014 0.50000000000000 0.62582525700927 15.999 > 69 104 O 0.87424029019014 0.50000000000000 0.62582525700927 15.999 > 69 105 O 0.12575970980986 0.50000000000000 0.12582525700927 15.999 > 73 106 O 0.62575970980986 0.50000000000000 0.12582525700927 15.999 > 73 107 O 0.12575970980986 0.50000000000000 0.62582525700927 15.999 > 73 108 O 0.62575970980986 0.50000000000000 0.62582525700927 15.999 > 73 109 O 0.12575970980986 0.50000000000000 0.37417474299073 15.999 > 77 110 O 0.62575970980986 0.50000000000000 0.37417474299073 15.999 > 77 111 O 0.12575970980986 0.50000000000000 0.87417474299073 15.999 > 77 112 O 0.62575970980986 0.50000000000000 0.87417474299073 15.999 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.0852103 0.0000000 0.0000000 0.0000000 4.5145673 0.0000000 0.0000000 0.0000000 5.0867970-------------------------- Born effective charges -------------------------- 1 Li 1.7647809 0.0000000 0.0000000 0.0000000 0.8535676 0.0000000 0.0000000 0.0000000 1.7663271 2 La 4.7748987 0.0000000 0.0000000 0.0000000 4.1494438 0.0000000 0.0000000 0.0000000 3.5161583 3 La 3.5987680 0.0000000 0.0000000 0.0000000 4.0795483 0.0000000 0.0000000 0.0000000 4.8708253 4 La 3.5987680 0.0000000 0.0000000 0.0000000 4.0795483 0.0000000 0.0000000 0.0000000 4.8708253 5 La 4.7748987 0.0000000 0.0000000 0.0000000 4.1494438 0.0000000 0.0000000 0.0000000 3.5161583 6 Au 1.8772316 0.0000000 0.0000000 0.0000000 -0.2576004 0.0000000 0.0000000 0.0000000 1.8723178 7 O -2.8947557 -0.1119198 0.0000000 -0.0726896 -2.3715166 0.0000000 0.0000000 0.0000000 -2.8973070 8 O -2.8947557 0.1119198 0.0000000 0.0726896 -2.3715166 0.0000000 0.0000000 0.0000000 -2.8973070 9 O -2.8947557 -0.1119198 0.0000000 -0.0726896 -2.3715166 0.0000000 0.0000000 0.0000000 -2.8973070 10 O -2.2025808 0.0000000 -0.2682024 0.0000000 -1.8919713 0.0000000 -0.2670900 0.0000000 -2.2058460 11 O -2.8947557 0.1119198 0.0000000 0.0726896 -2.3715166 0.0000000 0.0000000 0.0000000 -2.8973070 12 O -2.2025808 0.0000000 0.2682024 0.0000000 -1.8919713 0.0000000 0.2670900 0.0000000 -2.2058460 13 O -2.2025808 0.0000000 -0.2682024 0.0000000 -1.8919713 0.0000000 -0.2670900 0.0000000 -2.2058460 14 O -2.2025808 0.0000000 0.2682024 0.0000000 -1.8919713 0.0000000 0.2670900 0.0000000 -2.2058460----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000005 (xxx) -0.00000005 (xxx) -0.00000005 (xxx)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 10 10 9 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.71, Number of G-points: 293, Lambda: 0.16Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/155) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating 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 2.610 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 4.446 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.997 ( 0.000 0.000 0.000) 0.000 6.523 ( 0.000 0.000 0.000) 0.000 6.771 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.332 ( 0.000 0.000 0.000) 0.000 8.601 ( 0.000 0.000 0.000) 0.000 8.841 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 9.135 ( 0.000 0.000 0.000) 0.000 9.491 ( 0.000 0.000 0.000) 0.000 9.550 ( 0.000 0.000 0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 9.791 ( 0.000 0.000 0.000) 0.000 9.809 ( 0.000 0.000 0.000) 0.000 9.844 ( 0.000 0.000 0.000) 0.000 13.026 ( 0.000 0.000 0.000) 0.000 13.028 ( 0.000 0.000 0.000) 0.000 14.451 ( 0.000 0.000 0.000) 0.000 15.803 ( 0.000 0.000 0.000) 0.000 16.150 ( 0.000 0.000 0.000) 0.000 16.437 ( 0.000 0.000 0.000) 0.000 16.953 ( 0.000 0.000 0.000) 0.000 16.963 ( 0.000 0.000 0.000) 0.000 18.517 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/155) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.470 ( 22.264 -9.229 0.000) 24.101 0.546 ( 17.472 -29.182 0.000) 34.013 1.107 ( 57.534 -8.603 0.000) 58.174 2.832 ( 18.239 0.950 0.000) 18.263 3.050 ( -1.563 -4.454 0.000) 4.720 3.055 ( 8.179 4.840 0.000) 9.503 3.144 ( -1.086 -4.727 0.000) 4.850 3.301 ( 4.929 8.846 0.000) 10.127 3.678 ( -3.790 2.563 0.000) 4.576 3.735 ( -0.094 1.882 0.000) 1.884 3.802 ( 6.180 -2.024 0.000) 6.503 3.895 ( 1.094 -7.941 0.000) 8.016 4.434 ( -0.836 0.274 0.000) 0.880 5.502 ( 1.506 -2.991 0.000) 3.349 5.925 ( -5.438 5.830 0.000) 7.972 6.490 ( -7.202 -7.976 0.000) 10.746 6.669 ( -9.295 3.724 0.000) 10.013 7.360 ( -14.239 2.271 0.000) 14.419 8.151 ( 4.746 -9.923 0.000) 11.000 8.206 ( 1.921 -0.176 0.000) 1.929 8.259 ( -4.868 5.743 0.000) 7.529 8.400 ( 8.092 12.696 0.000) 15.055 8.490 ( 8.221 10.468 0.000) 13.311 8.848 ( 4.036 5.622 0.000) 6.921 8.995 ( 5.564 -6.530 0.000) 8.579 9.218 ( -6.626 -7.185 0.000) 9.774 9.271 ( -0.131 -23.658 0.000) 23.658 9.482 ( -6.247 1.862 0.000) 6.519 9.540 ( 5.657 0.780 0.000) 5.711 9.813 ( 2.551 -0.196 0.000) 2.559 9.845 ( 4.600 0.500 0.000) 4.627 9.926 ( 9.858 -1.726 0.000) 10.008 12.950 ( -9.017 -0.152 0.000) 9.018 12.959 ( -3.684 5.860 0.000) 6.922 13.642 ( 29.427 38.721 0.000) 48.634 14.716 ( -21.471 -42.571 0.000) 47.679 15.753 ( -4.843 1.284 0.000) 5.010 16.147 ( -1.334 -1.203 0.000) 1.797 16.325 ( -11.527 0.017 0.000) 11.527 17.011 ( 4.435 0.040 0.000) 4.435 18.446 ( 1.334 15.121 0.000) 15.179 18.752 ( 23.432 35.949 0.000) 42.911======================= Grid point 2 (3/155) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.925 ( 21.159 -8.645 0.000) 22.857 1.081 ( 16.805 -28.268 0.000) 32.886 2.125 ( 51.083 -5.253 0.000) 51.352 2.889 ( -0.989 7.053 0.000) 7.122 3.001 ( -7.186 -4.248 0.000) 8.348 3.101 ( -4.680 -5.670 0.000) 7.352 3.379 ( 12.491 12.252 0.000) 17.497 3.543 ( -5.972 8.976 0.000) 10.781 3.564 ( 38.471 0.921 0.000) 38.482 3.696 ( -2.899 0.473 0.000) 2.937 3.976 ( 11.052 -2.954 0.000) 11.440 4.009 ( 2.609 -10.564 0.000) 10.882 4.431 ( 1.092 0.227 0.000) 1.115 5.565 ( 1.338 -5.727 0.000) 5.881 5.725 ( -9.927 8.949 0.000) 13.365 6.413 ( -10.712 -12.590 0.000) 16.531 6.418 ( -13.531 6.567 0.000) 15.041 7.065 ( -15.760 2.994 0.000) 16.042 8.029 ( -4.851 23.504 0.000) 23.999 8.253 ( 2.649 -0.514 0.000) 2.698 8.287 ( -3.359 7.261 0.000) 8.000 8.311 ( 5.928 -5.518 0.000) 8.098 8.862 ( 3.128 6.857 0.000) 7.536 8.887 ( 30.702 -1.043 0.000) 30.720 9.133 ( -6.696 -1.824 0.000) 6.939 9.197 ( 7.963 -10.831 0.000) 13.443 9.296 ( -12.280 2.401 0.000) 12.512 9.418 ( -0.207 -12.645 0.000) 12.646 9.691 ( 9.109 -4.208 0.000) 10.034 9.885 ( 4.309 -2.549 0.000) 5.006 9.922 ( 4.702 1.103 0.000) 4.829 10.218 ( 21.346 -1.478 0.000) 21.397 12.714 ( -18.001 -0.164 0.000) 18.001 12.827 ( -8.287 1.221 0.000) 8.377 13.893 ( 22.655 13.479 0.000) 26.362 14.697 ( -6.247 -14.505 0.000) 15.793 15.623 ( -8.904 0.496 0.000) 8.918 16.077 ( -15.664 0.025 0.000) 15.664 16.103 ( -4.676 0.036 0.000) 4.676 17.088 ( 3.962 0.058 0.000) 3.962 18.354 ( 0.637 11.222 0.000) 11.240 18.871 ( 13.092 14.741 0.000) 19.715======================= Grid point 3 (4/155) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( 18.813 -7.603 0.000) 20.291 1.587 ( 15.502 -26.520 0.000) 30.719 2.786 ( -3.216 8.217 0.000) 8.824 2.901 ( -0.574 -0.443 0.000) 0.725 2.930 ( 31.536 2.900 0.000) 31.669 3.048 ( -6.621 -6.267 0.000) 9.117 3.292 ( -9.028 13.245 0.000) 16.029 3.556 ( 11.332 1.528 0.000) 11.435 3.642 ( -1.539 0.099 0.000) 1.543 4.137 ( 3.220 -7.754 0.000) 8.396 4.202 ( 22.318 -0.597 0.000) 22.326 4.248 ( 27.354 -0.902 0.000) 27.369 4.466 ( 2.473 -0.061 0.000) 2.473 5.455 ( -12.025 8.812 0.000) 14.908 5.630 ( -0.380 -7.824 0.000) 7.833 6.124 ( -12.191 8.402 0.000) 14.806 6.328 ( -10.335 -12.433 0.000) 16.168 6.787 ( -12.712 2.601 0.000) 12.975 7.773 ( -2.416 22.139 0.000) 22.271 8.164 ( -6.502 1.538 0.000) 6.682 8.310 ( 3.661 0.098 0.000) 3.662 8.443 ( 4.470 -4.224 0.000) 6.150 8.833 ( -1.000 5.685 0.000) 5.772 9.028 ( -4.261 1.706 0.000) 4.590 9.030 ( -14.792 3.070 0.000) 15.107 9.417 ( 9.387 -9.346 0.000) 13.247 9.423 ( 6.408 -12.206 0.000) 13.785 9.575 ( 27.553 4.599 0.000) 27.935 9.902 ( 12.181 -3.733 0.000) 12.740 9.982 ( 3.624 2.749 0.000) 4.549 9.990 ( 3.021 -6.167 0.000) 6.867 10.676 ( 28.839 -1.251 0.000) 28.866 12.322 ( -26.721 0.039 0.000) 26.721 12.628 ( -16.111 -3.740 0.000) 16.539 14.201 ( 21.993 8.167 0.000) 23.460 14.757 ( 4.205 -5.299 0.000) 6.765 15.442 ( -12.155 -2.030 0.000) 12.323 15.805 ( -14.510 0.013 0.000) 14.510 15.973 ( -8.918 2.479 0.000) 9.256 17.144 ( 2.482 0.057 0.000) 2.483 18.292 ( 0.943 7.422 0.000) 7.482 18.963 ( 7.985 8.563 0.000) 11.708======================= Grid point 4 (5/155) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( 13.347 -5.482 0.000) 14.429 2.048 ( 13.681 -23.542 0.000) 27.228 2.656 ( -4.366 6.342 0.000) 7.699 2.790 ( -6.837 7.405 0.000) 10.079 2.984 ( -4.995 -3.956 0.000) 6.372 3.035 ( -6.147 10.156 0.000) 11.871 3.282 ( 11.349 8.179 0.000) 13.990 3.583 ( -3.145 -3.997 0.000) 5.086 3.883 ( 18.635 -2.094 0.000) 18.752 4.237 ( 2.274 -4.655 0.000) 5.181 4.479 ( 12.787 -3.037 0.000) 13.143 4.493 ( 0.056 0.256 0.000) 0.262 4.743 ( 21.948 1.406 0.000) 21.993 5.182 ( -11.354 6.383 0.000) 13.025 5.678 ( -1.712 -8.937 0.000) 9.099 5.882 ( -6.748 9.225 0.000) 11.430 6.262 ( -6.265 -7.727 0.000) 9.947 6.594 ( -7.027 1.522 0.000) 7.190 7.602 ( -0.934 12.479 0.000) 12.513 8.046 ( -5.537 0.173 0.000) 5.539 8.388 ( 5.602 0.080 0.000) 5.602 8.533 ( 2.400 -2.740 0.000) 3.642 8.745 ( -3.959 2.586 0.000) 4.729 8.755 ( -13.239 2.404 0.000) 13.455 8.972 ( -0.369 2.744 0.000) 2.768 9.489 ( -0.063 -3.253 0.000) 3.253 9.603 ( 3.817 -9.041 0.000) 9.814 9.944 ( 10.519 2.291 0.000) 10.766 10.001 ( 1.598 3.544 0.000) 3.887 10.063 ( 0.374 -4.927 0.000) 4.941 10.389 ( 39.234 -2.079 0.000) 39.289 11.211 ( 30.252 0.005 0.000) 30.252 11.781 ( -34.551 0.434 0.000) 34.554 12.315 ( -23.055 -4.713 0.000) 23.531 14.511 ( 19.172 6.219 0.000) 20.155 14.907 ( 7.920 -1.141 0.000) 8.002 15.250 ( -12.072 -5.902 0.000) 13.437 15.595 ( -8.778 -0.001 0.000) 8.778 15.767 ( -10.532 4.035 0.000) 11.279 17.175 ( 1.155 0.035 0.000) 1.155 18.265 ( 0.923 3.647 0.000) 3.762 19.011 ( 3.669 4.409 0.000) 5.736======================= Grid point 5 (6/155) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( 0.000 -0.000 0.000) 0.000 2.378 ( 0.000 -0.000 0.000) 0.000 2.570 ( 0.000 -0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.953 ( -0.000 -0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 -0.000 0.000) 0.000 3.574 ( 0.000 -0.000 0.000) 0.000 4.084 ( 0.000 -0.000 0.000) 0.000 4.283 ( 0.000 -0.000 0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 -0.000 0.000) 0.000 4.938 ( 0.000 -0.000 0.000) 0.000 5.020 ( -0.000 0.000 0.000) 0.000 5.720 ( 0.000 -0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 6.238 ( 0.000 -0.000 0.000) 0.000 6.525 ( 0.000 -0.000 0.000) 0.000 7.542 ( 0.000 -0.000 0.000) 0.000 7.992 ( 0.000 -0.000 0.000) 0.000 8.486 ( -0.000 -0.000 0.000) 0.000 8.566 ( 0.000 -0.000 0.000) 0.000 8.575 ( 0.000 -0.000 0.000) 0.000 8.694 ( 0.000 -0.000 0.000) 0.000 8.959 ( 0.000 -0.000 0.000) 0.000 9.501 ( 0.000 -0.000 0.000) 0.000 9.679 ( 0.000 -0.000 0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 10.026 ( -0.000 -0.000 0.000) 0.000 10.080 ( 0.000 0.000 0.000) 0.000 11.096 ( -0.000 0.000 0.000) 0.000 11.135 ( 0.000 -0.000 0.000) 0.000 11.591 ( 0.000 -0.000 0.000) 0.000 12.020 ( 0.000 -0.000 0.000) 0.000 14.696 ( -0.000 -0.000 0.000) 0.000 14.956 ( 0.000 0.000 0.000) 0.000 15.187 ( 0.000 -0.000 0.000) 0.000 15.516 ( 0.000 -0.000 0.000) 0.000 15.625 ( 0.000 0.000 0.000) 0.000 17.185 ( 0.000 -0.000 0.000) 0.000 18.259 ( 0.000 -0.000 0.000) 0.000 19.025 ( 0.000 -0.000 0.000) 0.000======================= Grid point 12 (7/155) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.801 ( 22.217 0.000 0.000) 22.217 0.852 ( 23.452 0.000 0.000) 23.452 2.087 ( 54.766 0.000 0.000) 54.766 2.954 ( -0.102 -0.000 0.000) 0.102 2.959 ( -4.304 -0.000 0.000) 4.304 3.046 ( -5.844 -0.000 0.000) 5.844 3.506 ( 6.837 0.000 0.000) 6.837 3.573 ( 38.842 0.000 0.000) 38.842 3.606 ( -5.487 -0.000 0.000) 5.487 3.766 ( 1.278 0.000 0.000) 1.278 3.843 ( 1.024 0.000 0.000) 1.024 3.951 ( 11.412 0.000 0.000) 11.412 4.434 ( 1.026 0.000 0.000) 1.026 5.516 ( 1.251 0.000 0.000) 1.251 5.815 ( -9.908 -0.000 0.000) 9.908 6.290 ( -10.850 -0.000 0.000) 10.850 6.472 ( -13.901 -0.000 0.000) 13.901 7.080 ( -16.801 -0.000 0.000) 16.801 8.144 ( -8.664 -0.000 0.000) 8.664 8.248 ( 2.921 0.000 0.000) 2.921 8.266 ( 8.282 0.000 0.000) 8.282 8.521 ( -4.522 -0.000 0.000) 4.522 8.851 ( 27.350 0.000 0.000) 27.350 8.969 ( 6.035 0.000 0.000) 6.035 9.031 ( 0.477 0.000 0.000) 0.477 9.143 ( -0.198 -0.000 0.000) 0.198 9.211 ( 6.033 0.000 0.000) 6.033 9.321 ( -11.820 -0.000 0.000) 11.820 9.686 ( 9.908 0.000 0.000) 9.908 9.869 ( 3.886 0.000 0.000) 3.886 9.928 ( 4.895 0.000 0.000) 4.895 10.205 ( 21.676 0.000 0.000) 21.676 12.713 ( -17.928 -0.000 0.000) 17.928 12.840 ( -11.291 -0.000 0.000) 11.291 14.041 ( 12.897 0.000 0.000) 12.897 14.538 ( 5.579 0.000 0.000) 5.579 15.628 ( -9.819 -0.000 0.000) 9.819 16.077 ( -15.670 -0.000 0.000) 15.670 16.103 ( -3.597 -0.000 0.000) 3.597 17.089 ( 3.953 0.000 0.000) 3.953 18.435 ( -3.182 -0.000 0.000) 3.182 19.036 ( 5.017 0.000 0.000) 5.017======================= Grid point 13 (8/155) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( 19.856 -13.419 0.000) 23.965 1.259 ( 21.208 -2.716 0.000) 21.381 2.889 ( -5.662 4.586 0.000) 7.287 2.890 ( -3.122 -0.516 0.000) 3.164 2.962 ( -4.492 -4.223 0.000) 6.165 2.964 ( 43.264 1.172 0.000) 43.280 3.460 ( -7.297 6.858 0.000) 10.014 3.531 ( -4.391 -2.821 0.000) 5.219 3.743 ( 4.155 8.987 0.000) 9.901 3.984 ( 5.607 -9.788 0.000) 11.280 4.184 ( 14.535 -0.828 0.000) 14.558 4.251 ( 35.901 0.439 0.000) 35.903 4.470 ( 2.794 0.240 0.000) 2.804 5.537 ( -0.561 -3.223 0.000) 3.271 5.583 ( -13.219 5.704 0.000) 14.397 6.137 ( -10.115 -8.277 0.000) 13.070 6.218 ( -12.794 2.988 0.000) 13.138 6.803 ( -14.253 -0.030 0.000) 14.253 7.977 ( -8.636 2.819 0.000) 9.085 8.305 ( 3.185 1.662 0.000) 3.593 8.352 ( -4.494 14.198 0.000) 14.893 8.395 ( 5.651 -1.440 0.000) 5.831 8.924 ( -5.799 4.135 0.000) 7.122 9.062 ( 2.451 2.419 0.000) 3.444 9.063 ( -15.307 1.035 0.000) 15.342 9.197 ( 3.889 -13.610 0.000) 14.155 9.249 ( 6.551 -8.009 0.000) 10.346 9.607 ( 36.084 0.232 0.000) 36.085 9.873 ( 11.415 0.595 0.000) 11.430 9.945 ( 4.257 -1.346 0.000) 4.464 10.008 ( 4.119 0.638 0.000) 4.168 10.661 ( 29.433 -0.498 0.000) 29.437 12.323 ( -26.548 0.000 0.000) 26.548 12.588 ( -17.716 -1.230 0.000) 17.759 14.303 ( 18.762 3.761 0.000) 19.135 14.681 ( 8.362 -3.150 0.000) 8.935 15.419 ( -14.096 -0.739 0.000) 14.115 15.806 ( -14.523 0.005 0.000) 14.523 16.005 ( -7.275 1.132 0.000) 7.363 17.145 ( 2.465 0.022 0.000) 2.466 18.372 ( -2.563 2.412 0.000) 3.520 19.087 ( 3.672 5.029 0.000) 6.227======================= Grid point 14 (9/155) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 16.712 -2.810 0.000) 16.947 1.691 ( 17.090 -18.204 0.000) 24.969 2.721 ( -9.763 1.812 0.000) 9.929 2.838 ( -2.719 0.595 0.000) 2.783 2.938 ( -0.823 -1.384 0.000) 1.610 3.233 ( -9.119 11.249 0.000) 14.481 3.376 ( -1.086 1.894 0.000) 2.183 3.585 ( 12.887 4.914 0.000) 13.792 3.851 ( 14.755 -2.017 0.000) 14.892 4.131 ( 2.809 -7.204 0.000) 7.733 4.446 ( 13.949 -1.254 0.000) 14.005 4.508 ( 1.771 1.115 0.000) 2.092 4.764 ( 21.435 1.057 0.000) 21.461 5.288 ( -14.132 6.257 0.000) 15.456 5.550 ( -1.979 -6.193 0.000) 6.502 6.002 ( -7.402 5.327 0.000) 9.120 6.075 ( -6.309 -12.148 0.000) 13.689 6.598 ( -9.016 -0.621 0.000) 9.038 7.815 ( -4.247 8.260 0.000) 9.288 8.132 ( -5.360 12.036 0.000) 13.176 8.390 ( 5.450 0.142 0.000) 5.452 8.487 ( 3.038 -2.260 0.000) 3.786 8.784 ( -6.458 1.711 0.000) 6.681 8.785 ( -14.512 1.317 0.000) 14.572 9.062 ( 2.395 7.632 0.000) 7.999 9.320 ( -1.798 -14.547 0.000) 14.658 9.437 ( 5.577 -10.534 0.000) 11.920 9.991 ( 3.684 0.598 0.000) 3.733 10.037 ( 10.008 2.802 0.000) 10.393 10.053 ( 2.146 2.316 0.000) 3.158 10.355 ( 41.294 -1.962 0.000) 41.341 11.217 ( 32.784 0.527 0.000) 32.788 11.786 ( -34.321 0.192 0.000) 34.322 12.245 ( -23.234 -3.529 0.000) 23.500 14.601 ( 17.520 4.517 0.000) 18.093 14.877 ( 10.842 -2.296 0.000) 11.083 15.161 ( -16.666 -4.274 0.000) 17.205 15.595 ( -8.783 -0.000 0.000) 8.783 15.836 ( -9.183 3.622 0.000) 9.872 17.176 ( 1.129 0.022 0.000) 1.129 18.312 ( -2.256 2.014 0.000) 3.025 19.085 ( 0.335 4.062 0.000) 4.076======================= Grid point 15 (10/155) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( 6.762 0.744 0.000) 6.803 2.122 ( 14.520 -18.877 0.000) 23.815 2.552 ( -8.329 -2.660 0.000) 8.743 2.738 ( -6.677 8.193 0.000) 10.570 2.965 ( 3.880 1.142 0.000) 4.044 3.017 ( -4.337 7.775 0.000) 8.903 3.280 ( -8.355 -4.303 0.000) 9.398 3.663 ( 5.598 9.029 0.000) 10.624 4.087 ( 2.377 0.311 0.000) 2.398 4.212 ( 1.694 -7.399 0.000) 7.590 4.514 ( 1.463 3.221 0.000) 3.538 4.653 ( 6.740 1.276 0.000) 6.859 4.934 ( -2.722 -0.354 0.000) 2.745 5.037 ( -7.260 1.992 0.000) 7.528 5.586 ( -0.123 -8.709 0.000) 8.710 5.880 ( -1.043 7.142 0.000) 7.218 6.113 ( -0.758 -12.476 0.000) 12.499 6.506 ( -2.569 -2.089 0.000) 3.312 7.689 ( -0.453 14.408 0.000) 14.415 8.008 ( -0.665 2.486 0.000) 2.573 8.492 ( 2.828 0.646 0.000) 2.901 8.538 ( 0.628 -2.498 0.000) 2.576 8.571 ( -5.247 -0.500 0.000) 5.271 8.699 ( -1.821 0.220 0.000) 1.834 9.029 ( 1.189 7.834 0.000) 7.923 9.383 ( -3.351 -12.532 0.000) 12.973 9.598 ( 3.531 -8.545 0.000) 9.245 10.008 ( -1.597 -0.799 0.000) 1.786 10.041 ( -0.426 4.168 0.000) 4.190 10.155 ( 7.329 6.276 0.000) 9.649 11.091 ( 27.567 -0.513 0.000) 27.572 11.135 ( -26.818 -0.026 0.000) 26.818 11.626 ( -2.601 4.242 0.000) 4.976 11.978 ( 6.929 -4.951 0.000) 8.516 14.711 ( -8.922 1.780 0.000) 9.098 14.936 ( -1.153 -2.435 0.000) 2.695 15.136 ( 8.991 -4.675 0.000) 10.134 15.516 ( 0.005 0.000 0.000) 0.005 15.677 ( -2.337 5.013 0.000) 5.531 17.185 ( -0.033 0.000 0.000) 0.033 18.258 ( -3.170 -0.162 0.000) 3.174 19.036 ( -3.269 1.252 0.000) 3.500======================= Grid point 16 (11/155) =======================q-point: (-0.50 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( -8.427 7.683 0.000) 11.404 2.361 ( -6.422 9.097 0.000) 11.135 2.525 ( -0.765 -9.468 0.000) 9.498 2.607 ( 7.753 -7.951 0.000) 11.106 2.960 ( 0.094 -0.477 0.000) 0.486 3.051 ( 7.869 3.943 0.000) 8.801 3.160 ( -11.169 -6.222 0.000) 12.785 3.680 ( 4.302 7.367 0.000) 8.531 3.921 ( -17.197 2.549 0.000) 17.384 4.260 ( -1.282 -1.703 0.000) 2.132 4.517 ( 1.043 3.204 0.000) 3.369 4.546 ( -12.096 5.184 0.000) 13.160 4.724 ( -21.950 -0.740 0.000) 21.962 5.082 ( 8.126 -6.196 0.000) 10.219 5.709 ( 5.465 -10.741 0.000) 12.052 5.828 ( 1.558 8.293 0.000) 8.438 6.244 ( 5.177 -9.620 0.000) 10.924 6.545 ( 3.979 -4.357 0.000) 5.901 7.563 ( -2.684 8.323 0.000) 8.745 8.067 ( 7.900 1.832 0.000) 8.110 8.389 ( -6.057 0.227 0.000) 6.061 8.548 ( -1.210 -1.035 0.000) 1.593 8.711 ( 11.459 -2.873 0.000) 11.813 8.716 ( 2.662 -1.134 0.000) 2.894 8.990 ( 1.070 5.163 0.000) 5.273 9.411 ( -4.062 -10.777 0.000) 11.517 9.680 ( 0.555 -1.221 0.000) 1.341 9.941 ( -6.990 0.949 0.000) 7.054 9.980 ( -2.832 2.480 0.000) 3.764 10.167 ( -3.278 6.538 0.000) 7.314 10.427 ( -33.325 2.910 0.000) 33.452 11.216 ( -29.353 0.428 0.000) 29.356 11.773 ( 34.933 -0.614 0.000) 34.938 12.385 ( 25.627 3.663 0.000) 25.887 14.410 ( -22.831 -5.955 0.000) 23.595 14.914 ( -5.140 -0.195 0.000) 5.144 15.317 ( 10.255 1.545 0.000) 10.370 15.595 ( 8.771 0.001 0.000) 8.771 15.735 ( 10.254 0.674 0.000) 10.276 17.175 ( -1.187 -0.035 0.000) 1.187 18.202 ( -5.007 -3.825 0.000) 6.301 18.956 ( -6.339 -2.304 0.000) 6.745======================= Grid point 17 (12/155) =======================q-point: (-0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( -15.127 11.235 0.000) 18.843 2.003 ( -14.093 22.499 0.000) 26.548 2.624 ( 1.262 -11.649 0.000) 11.717 2.864 ( 6.365 -6.076 0.000) 8.799 2.892 ( -21.525 -2.091 0.000) 21.626 3.080 ( 7.018 -10.114 0.000) 12.310 3.154 ( 7.991 6.358 0.000) 10.212 3.537 ( -20.919 1.390 0.000) 20.965 3.702 ( 3.753 5.361 0.000) 6.544 4.191 ( -33.415 -1.324 0.000) 33.441 4.220 ( -2.408 2.543 0.000) 3.502 4.297 ( -15.425 4.654 0.000) 16.112 4.481 ( -2.342 1.981 0.000) 3.067 5.315 ( 10.656 -8.412 0.000) 13.576 5.772 ( 0.299 9.110 0.000) 9.115 5.953 ( 10.718 -12.317 0.000) 16.328 6.434 ( 10.169 -2.623 0.000) 10.502 6.708 ( 9.100 -6.953 0.000) 11.452 7.489 ( -4.418 -7.198 0.000) 8.446 8.203 ( 9.557 4.502 0.000) 10.564 8.309 ( -3.289 -0.041 0.000) 3.289 8.510 ( -2.192 3.016 0.000) 3.728 8.767 ( 0.552 -2.098 0.000) 2.169 8.966 ( 13.602 -4.592 0.000) 14.356 9.015 ( 5.155 0.748 0.000) 5.209 9.419 ( -4.557 -9.736 0.000) 10.750 9.532 ( -36.857 1.931 0.000) 36.908 9.614 ( -3.832 10.141 0.000) 10.841 9.923 ( -8.684 -0.455 0.000) 8.696 9.925 ( -3.856 -3.376 0.000) 5.125 10.179 ( -0.054 14.188 0.000) 14.188 10.693 ( -28.536 0.655 0.000) 28.544 12.321 ( 27.040 -0.130 0.000) 27.040 12.708 ( 14.846 5.901 0.000) 15.976 14.051 ( -25.243 -10.009 0.000) 27.155 14.834 ( 0.370 3.917 0.000) 3.934 15.478 ( 9.699 2.054 0.000) 9.914 15.805 ( 14.488 -0.016 0.000) 14.488 15.937 ( 10.580 -1.611 0.000) 10.702 17.143 ( -2.509 -0.070 0.000) 2.509 18.147 ( -7.419 -9.584 0.000) 12.120 18.849 ( -9.381 -5.053 0.000) 10.655======================= Grid point 18 (13/155) =======================q-point: (-0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( -16.556 14.076 0.000) 21.730 1.538 ( -17.138 24.534 0.000) 29.927 2.284 ( -36.978 15.139 0.000) 39.957 2.738 ( 0.706 -11.422 0.000) 11.444 3.028 ( 7.135 -4.683 0.000) 8.535 3.207 ( 2.913 6.685 0.000) 7.292 3.231 ( -14.159 -1.901 0.000) 14.286 3.346 ( 8.419 -14.098 0.000) 16.421 3.552 ( -36.047 -0.330 0.000) 36.048 3.722 ( 2.104 2.750 0.000) 3.462 4.040 ( -10.378 4.794 0.000) 11.432 4.136 ( -3.789 5.324 0.000) 6.535 4.431 ( -1.452 0.407 0.000) 1.508 5.571 ( 9.660 -9.578 0.000) 13.604 5.686 ( -1.674 8.634 0.000) 8.795 6.264 ( 12.364 -12.304 0.000) 17.443 6.611 ( 11.680 8.355 0.000) 14.361 6.960 ( 11.271 -9.766 0.000) 14.913 7.548 ( -4.213 -26.859 0.000) 27.188 8.258 ( -2.089 0.562 0.000) 2.163 8.315 ( 7.043 5.402 0.000) 8.876 8.427 ( -1.978 7.772 0.000) 8.020 8.772 ( -2.147 -3.989 0.000) 4.530 8.891 ( -32.422 -0.196 0.000) 32.423 9.139 ( 8.260 -0.169 0.000) 8.261 9.234 ( 11.723 -4.946 0.000) 12.723 9.407 ( -7.809 13.728 0.000) 15.793 9.420 ( -3.637 -7.871 0.000) 8.671 9.809 ( -3.729 3.258 0.000) 4.952 9.884 ( -4.377 -3.565 0.000) 5.645 10.034 ( -2.297 16.898 0.000) 17.054 10.244 ( -20.847 1.288 0.000) 20.887 12.718 ( 18.203 0.235 0.000) 18.204 12.820 ( 2.272 0.960 0.000) 2.467 13.680 ( -27.918 -12.406 0.000) 30.551 14.917 ( 16.834 11.687 0.000) 20.493 15.619 ( 7.217 0.126 0.000) 7.219 16.077 ( 15.648 -0.040 0.000) 15.648 16.099 ( 6.594 -0.476 0.000) 6.611 17.087 ( -3.983 -0.095 0.000) 3.984 18.082 ( -14.507 -19.237 0.000) 24.094 18.707 ( -11.438 -5.370 0.000) 12.636======================= Grid point 19 (14/155) =======================q-point: (-0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.707 ( -14.270 18.105 0.000) 23.053 0.987 ( -26.827 19.427 0.000) 33.122 1.466 ( -28.790 35.580 0.000) 45.769 2.789 ( -9.414 -5.319 0.000) 10.813 2.957 ( -16.895 -6.120 0.000) 17.969 3.000 ( -15.034 -11.635 0.000) 19.010 3.253 ( 1.239 8.377 0.000) 8.468 3.263 ( 17.433 5.374 0.000) 18.243 3.566 ( 4.925 -10.316 0.000) 11.431 3.730 ( 0.460 0.800 0.000) 0.923 3.859 ( -5.653 4.745 0.000) 7.381 3.999 ( -7.460 4.285 0.000) 8.603 4.429 ( 0.804 -0.261 0.000) 0.846 5.586 ( -2.123 6.951 0.000) 7.268 5.788 ( 5.747 -9.634 0.000) 11.218 6.551 ( 8.702 -10.749 0.000) 13.830 6.688 ( 7.569 14.534 0.000) 16.387 7.234 ( 8.606 -12.578 0.000) 15.241 7.771 ( -1.789 -39.402 0.000) 39.443 8.213 ( -2.309 0.662 0.000) 2.402 8.339 ( 1.843 10.975 0.000) 11.128 8.367 ( 3.116 4.566 0.000) 5.528 8.454 ( -16.549 -0.494 0.000) 16.557 8.765 ( -2.534 -4.034 0.000) 4.764 9.141 ( -7.645 10.419 0.000) 12.923 9.324 ( 13.630 4.216 0.000) 14.267 9.407 ( -0.415 -6.485 0.000) 6.498 9.453 ( 4.804 -3.986 0.000) 6.242 9.721 ( 0.718 15.871 0.000) 15.887 9.825 ( -4.588 -1.922 0.000) 4.975 9.847 ( -4.622 9.683 0.000) 10.730 9.964 ( -9.405 2.199 0.000) 9.659 12.795 ( -11.644 -10.827 0.000) 15.900 12.954 ( 9.095 0.388 0.000) 9.103 13.260 ( -29.550 -10.223 0.000) 31.269 15.258 ( 40.197 22.639 0.000) 46.134 15.724 ( 3.995 -1.744 0.000) 4.359 16.174 ( 2.593 1.619 0.000) 3.057 16.324 ( 11.527 -0.043 0.000) 11.527 17.010 ( -4.451 -0.105 0.000) 4.452 17.838 ( -44.716 -34.852 0.000) 56.694 18.564 ( -6.675 -1.477 0.000) 6.837======================= Grid point 20 (15/155) =======================q-point: (-0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.379 ( 0.000 23.297 0.000) 23.297 0.380 ( 0.000 23.337 0.000) 23.337 0.845 ( 0.000 51.203 0.000) 51.203 2.610 ( 0.000 0.046 0.000) 0.046 2.908 ( -0.000 -6.703 0.000) 6.703 2.961 ( -0.000 -8.637 0.000) 8.637 3.207 ( 0.000 6.724 0.000) 6.724 3.536 ( 0.000 1.055 0.000) 1.055 3.674 ( -0.000 -6.862 0.000) 6.862 3.728 ( 0.000 0.427 0.000) 0.427 3.773 ( 0.000 3.972 0.000) 3.972 3.827 ( 0.000 1.839 0.000) 1.839 4.443 ( -0.000 -0.338 0.000) 0.338 5.515 ( 0.000 4.760 0.000) 4.760 5.914 ( -0.000 -8.542 0.000) 8.542 6.642 ( 0.000 12.899 0.000) 12.899 6.708 ( -0.000 -7.693 0.000) 7.693 7.417 ( -0.000 -11.982 0.000) 11.982 8.073 ( -0.000 -34.860 0.000) 34.860 8.190 ( -0.000 -1.989 0.000) 1.989 8.321 ( -0.000 -4.374 0.000) 4.374 8.346 ( 0.000 4.496 0.000) 4.496 8.364 ( 0.000 3.922 0.000) 3.922 8.742 ( -0.000 -0.757 0.000) 0.757 8.991 ( 0.000 7.717 0.000) 7.717 9.443 ( -0.000 -5.583 0.000) 5.583 9.517 ( 0.000 30.420 0.000) 30.420 9.533 ( -0.000 -2.370 0.000) 2.370 9.578 ( -0.000 -2.541 0.000) 2.541 9.786 ( -0.000 -0.573 0.000) 0.573 9.805 ( -0.000 -0.386 0.000) 0.386 9.849 ( 0.000 0.505 0.000) 0.505 12.456 ( -0.000 -0.165 0.000) 0.165 13.029 ( 0.000 0.341 0.000) 0.341 13.031 ( 0.000 0.329 0.000) 0.329 15.771 ( -0.000 -2.203 0.000) 2.203 16.036 ( -0.000 -1.497 0.000) 1.497 16.177 ( 0.000 2.592 0.000) 2.592 16.437 ( -0.000 -0.029 0.000) 0.029 16.954 ( 0.000 0.102 0.000) 0.102 16.963 ( -0.000 -0.088 0.000) 0.088 18.517 ( -0.000 -0.023 0.000) 0.023======================= Grid point 23 (16/155) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.531 ( 19.136 0.000 0.000) 19.136 1.597 ( 17.942 0.000 0.000) 17.942 2.731 ( -11.845 -0.000 0.000) 11.845 2.840 ( -2.001 -0.000 0.000) 2.001 2.930 ( 0.841 0.000 0.000) 0.841 3.349 ( -8.710 -0.000 0.000) 8.710 3.363 ( -8.480 -0.000 0.000) 8.480 3.660 ( 29.993 0.000 0.000) 29.993 3.823 ( 1.876 0.000 0.000) 1.876 4.059 ( 5.382 0.000 0.000) 5.382 4.436 ( 14.465 0.000 0.000) 14.465 4.518 ( 2.391 0.000 0.000) 2.391 4.773 ( 21.165 0.000 0.000) 21.165 5.350 ( -15.701 -0.000 0.000) 15.701 5.497 ( -2.176 -0.000 0.000) 2.176 5.959 ( -5.814 -0.000 0.000) 5.814 6.047 ( -7.530 -0.000 0.000) 7.530 6.590 ( -9.595 -0.000 0.000) 9.595 7.865 ( -4.081 -0.000 0.000) 4.081 8.288 ( -8.463 -0.000 0.000) 8.463 8.392 ( 5.517 0.000 0.000) 5.517 8.468 ( 3.159 0.000 0.000) 3.159 8.796 ( -14.980 -0.000 0.000) 14.980 8.797 ( -7.599 -0.000 0.000) 7.599 9.161 ( 0.002 0.000 0.000) 0.002 9.163 ( 4.051 0.000 0.000) 4.051 9.314 ( 5.666 0.000 0.000) 5.666 9.989 ( 2.172 0.000 0.000) 2.172 10.071 ( 2.678 0.000 0.000) 2.678 10.075 ( 10.847 0.000 0.000) 10.847 10.336 ( 42.999 0.000 0.000) 42.999 11.222 ( 34.261 0.000 0.000) 34.261 11.788 ( -34.248 -0.000 0.000) 34.248 12.214 ( -23.954 -0.000 0.000) 23.954 14.642 ( 17.487 0.000 0.000) 17.487 14.853 ( 11.720 0.000 0.000) 11.720 15.125 ( -18.807 -0.000 0.000) 18.807 15.595 ( -8.785 -0.000 0.000) 8.785 15.867 ( -8.550 -0.000 0.000) 8.550 17.176 ( 1.119 0.000 0.000) 1.119 18.328 ( -3.366 -0.000 0.000) 3.366 19.122 ( -1.364 -0.000 0.000) 1.364======================= Grid point 24 (17/155) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( 11.487 0.506 0.000) 11.498 1.887 ( 17.237 -8.305 0.000) 19.133 2.512 ( -13.080 -1.599 0.000) 13.177 2.800 ( -3.216 1.127 0.000) 3.408 2.981 ( 5.335 0.612 0.000) 5.370 3.151 ( -8.475 6.287 0.000) 10.553 3.222 ( -9.608 -2.827 0.000) 10.015 3.815 ( 3.299 8.062 0.000) 8.711 4.070 ( 11.527 -5.823 0.000) 12.914 4.102 ( -2.411 -1.356 0.000) 2.766 4.555 ( 2.673 1.485 0.000) 3.058 4.672 ( 11.836 0.772 0.000) 11.861 4.929 ( -4.958 -0.219 0.000) 4.963 5.072 ( -13.022 1.693 0.000) 13.132 5.478 ( -1.089 -3.814 0.000) 3.966 5.936 ( -0.303 -6.956 0.000) 6.962 5.963 ( -0.909 2.789 0.000) 2.933 6.473 ( -4.207 -1.357 0.000) 4.420 7.860 ( 5.015 4.468 0.000) 6.716 8.096 ( -8.200 6.667 0.000) 10.569 8.503 ( 6.570 0.566 0.000) 6.595 8.507 ( 0.866 -1.075 0.000) 1.380 8.562 ( -10.437 -0.405 0.000) 10.444 8.699 ( -3.005 -0.054 0.000) 3.005 9.174 ( 1.843 8.237 0.000) 8.441 9.183 ( -2.311 -8.939 0.000) 9.233 9.448 ( 4.672 -8.287 0.000) 9.513 10.001 ( -0.906 -0.144 0.000) 0.917 10.095 ( 0.645 1.891 0.000) 1.998 10.235 ( 8.189 2.772 0.000) 8.646 11.083 ( 39.872 -0.329 0.000) 39.873 11.134 ( -38.487 -0.021 0.000) 38.487 11.718 ( -13.786 6.214 0.000) 15.122 11.876 ( 20.579 -6.649 0.000) 21.626 14.746 ( -19.891 1.914 0.000) 19.983 14.888 ( 4.470 -2.648 0.000) 5.196 15.078 ( 12.605 -1.889 0.000) 12.746 15.516 ( 0.008 0.000 0.000) 0.008 15.744 ( -2.622 2.430 0.000) 3.575 17.185 ( -0.053 0.000 0.000) 0.053 18.255 ( -5.049 -0.094 0.000) 5.050 19.055 ( -5.430 0.769 0.000) 5.485======================= Grid point 25 (18/155) =======================q-point: (-0.60 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( -1.778 8.446 0.000) 8.631 2.250 ( 13.565 -11.302 0.000) 17.656 2.363 ( -6.656 -9.791 0.000) 11.839 2.666 ( -8.557 5.184 0.000) 10.005 2.991 ( -5.082 3.608 0.000) 6.233 3.089 ( -7.568 -2.624 0.000) 8.011 3.102 ( 9.263 2.203 0.000) 9.521 3.802 ( 2.270 6.968 0.000) 7.328 3.959 ( -14.062 1.772 0.000) 14.173 4.208 ( 1.526 -3.796 0.000) 4.091 4.578 ( 1.462 3.641 0.000) 3.924 4.633 ( -16.076 4.280 0.000) 16.636 4.733 ( -17.846 2.864 0.000) 18.074 4.975 ( 5.153 -7.096 0.000) 8.770 5.543 ( 3.325 -8.598 0.000) 9.218 5.946 ( 2.009 5.690 0.000) 6.034 6.047 ( 4.198 -11.326 0.000) 12.079 6.469 ( 1.120 -4.327 0.000) 4.470 7.785 ( -5.178 15.525 0.000) 16.365 8.086 ( 10.198 0.043 0.000) 10.198 8.395 ( -6.671 0.376 0.000) 6.681 8.520 ( -0.403 -1.653 0.000) 1.701 8.669 ( 9.749 -2.058 0.000) 9.964 8.699 ( 2.154 -0.933 0.000) 2.348 9.118 ( 0.495 9.325 0.000) 9.338 9.212 ( -4.041 -11.759 0.000) 12.434 9.586 ( 3.056 -8.269 0.000) 8.816 9.956 ( -4.377 0.690 0.000) 4.431 10.056 ( -2.160 4.860 0.000) 5.319 10.242 ( -16.204 2.580 0.000) 16.408 10.481 ( -20.722 3.238 0.000) 20.974 11.222 ( -30.456 0.242 0.000) 30.457 11.763 ( 35.349 -0.489 0.000) 35.352 12.429 ( 29.810 1.739 0.000) 29.860 14.330 ( -26.777 -3.646 0.000) 27.024 14.906 ( -3.225 -0.524 0.000) 3.267 15.309 ( 11.712 -1.461 0.000) 11.803 15.595 ( 8.766 0.001 0.000) 8.766 15.773 ( 7.910 2.921 0.000) 8.432 17.174 ( -1.213 -0.022 0.000) 1.213 18.150 ( -8.080 -2.307 0.000) 8.403 18.934 ( -7.984 -0.628 0.000) 8.009======================= Grid point 26 (19/155) =======================q-point: (-0.50 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( -11.385 13.517 0.000) 17.673 2.263 ( -14.757 8.872 0.000) 17.219 2.416 ( -0.647 -13.904 0.000) 13.919 2.702 ( 11.141 -10.946 0.000) 15.618 2.872 ( -8.904 0.135 0.000) 8.905 3.008 ( -2.453 -0.916 0.000) 2.619 3.242 ( 8.897 4.308 0.000) 9.885 3.607 ( -19.371 6.449 0.000) 20.416 3.791 ( 1.417 5.133 0.000) 5.325 4.171 ( -34.490 -1.022 0.000) 34.505 4.232 ( -0.356 -0.655 0.000) 0.745 4.386 ( -14.261 6.020 0.000) 15.480 4.531 ( -2.907 4.069 0.000) 5.001 5.182 ( 9.700 -7.839 0.000) 12.472 5.738 ( 8.381 -13.179 0.000) 15.618 5.916 ( 0.550 7.957 0.000) 7.976 6.255 ( 7.097 -15.165 0.000) 16.744 6.579 ( 5.261 -8.312 0.000) 9.837 7.560 ( -6.763 11.963 0.000) 13.743 8.283 ( 12.583 4.742 0.000) 13.447 8.309 ( -3.162 0.151 0.000) 3.166 8.525 ( -0.061 -0.666 0.000) 0.668 8.755 ( 2.147 -0.213 0.000) 2.157 8.887 ( 11.747 -4.879 0.000) 12.720 9.070 ( 2.403 5.972 0.000) 6.437 9.230 ( -5.160 -12.146 0.000) 13.197 9.561 ( -39.201 1.453 0.000) 39.228 9.676 ( 1.204 -3.428 0.000) 3.633 9.907 ( -6.517 -1.190 0.000) 6.625 9.941 ( -5.578 6.078 0.000) 8.249 10.384 ( 2.234 10.285 0.000) 10.525 10.691 ( -29.551 -1.022 0.000) 29.568 12.318 ( 27.416 -0.179 0.000) 27.416 12.811 ( 15.815 6.357 0.000) 17.045 13.890 ( -28.646 -9.261 0.000) 30.106 14.881 ( 3.892 2.018 0.000) 4.384 15.499 ( 9.370 0.526 0.000) 9.385 15.805 ( 14.466 -0.013 0.000) 14.466 15.928 ( 10.017 0.393 0.000) 10.025 17.142 ( -2.535 -0.057 0.000) 2.536 18.009 ( -12.395 -6.904 0.000) 14.188 18.795 ( -8.978 -2.004 0.000) 9.198======================= Grid point 27 (20/155) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.364 ( -12.379 16.470 0.000) 20.603 1.833 ( -23.226 12.739 0.000) 26.491 2.527 ( -0.070 -14.358 0.000) 14.358 2.582 ( -15.843 18.370 0.000) 24.258 2.877 ( -6.158 -10.598 0.000) 12.258 3.110 ( 8.276 -13.154 0.000) 15.541 3.295 ( -3.982 3.761 0.000) 5.477 3.312 ( -2.700 8.470 0.000) 8.890 3.562 ( -27.898 1.711 0.000) 27.950 3.771 ( -0.021 2.958 0.000) 2.958 4.127 ( -9.969 5.693 0.000) 11.480 4.198 ( -3.375 2.843 0.000) 4.413 4.446 ( -2.813 1.500 0.000) 3.188 5.422 ( 9.441 -8.722 0.000) 12.853 5.831 ( -1.791 8.926 0.000) 9.104 6.032 ( 10.480 -15.717 0.000) 18.890 6.535 ( 9.432 -17.595 0.000) 19.964 6.772 ( 6.618 -12.530 0.000) 14.170 7.366 ( -7.299 5.140 0.000) 8.927 8.268 ( -1.487 0.700 0.000) 1.643 8.424 ( 8.879 7.540 0.000) 11.648 8.528 ( 1.521 3.747 0.000) 4.044 8.745 ( -2.108 0.981 0.000) 2.325 8.885 ( -33.224 -0.445 0.000) 33.227 9.136 ( 7.305 -0.031 0.000) 7.305 9.140 ( 10.570 -6.460 0.000) 12.388 9.254 ( -4.483 -11.620 0.000) 12.455 9.618 ( -6.373 11.132 0.000) 12.827 9.821 ( -4.465 -3.076 0.000) 5.422 9.823 ( -3.923 -0.227 0.000) 3.929 10.244 ( -21.295 -1.522 0.000) 21.350 10.307 ( 0.442 14.832 0.000) 14.839 12.721 ( 18.479 0.196 0.000) 18.480 12.867 ( -2.998 4.852 0.000) 5.704 13.489 ( -26.595 -11.396 0.000) 28.933 15.066 ( 21.398 6.828 0.000) 22.460 15.630 ( 6.485 1.246 0.000) 6.603 16.076 ( 15.628 -0.040 0.000) 15.628 16.087 ( 7.299 -0.976 0.000) 7.364 17.085 ( -4.010 -0.095 0.000) 4.011 17.812 ( -20.322 -13.179 0.000) 24.221 18.657 ( -8.101 -1.643 0.000) 8.266======================= Grid point 28 (21/155) =======================q-point: (-0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( -9.233 20.056 0.000) 22.080 1.254 ( -28.535 15.533 0.000) 32.488 2.090 ( -11.418 37.537 0.000) 39.235 2.638 ( -0.431 -12.808 0.000) 12.815 2.780 ( -12.820 -14.541 0.000) 19.385 2.890 ( -25.808 -2.331 0.000) 25.913 3.363 ( 13.434 -1.143 0.000) 13.482 3.382 ( 8.349 -4.095 0.000) 9.299 3.398 ( 1.740 8.906 0.000) 9.075 3.746 ( -0.769 0.965 0.000) 1.234 3.947 ( -5.077 5.943 0.000) 7.816 4.051 ( -10.316 2.762 0.000) 10.679 4.427 ( 0.619 0.039 0.000) 0.620 5.634 ( 5.975 -9.107 0.000) 10.892 5.717 ( -2.491 8.930 0.000) 9.271 6.330 ( 7.695 -16.160 0.000) 17.898 6.843 ( 12.072 -6.423 0.000) 13.675 6.993 ( 4.602 -16.189 0.000) 16.831 7.238 ( -9.610 -14.400 0.000) 17.312 8.229 ( -2.748 1.308 0.000) 3.043 8.423 ( -13.631 -0.148 0.000) 13.632 8.488 ( 1.048 6.941 0.000) 7.020 8.501 ( 1.376 9.246 0.000) 9.348 8.717 ( -0.732 -1.814 0.000) 1.956 9.264 ( 0.445 1.625 0.000) 1.685 9.267 ( -2.594 -10.273 0.000) 10.595 9.360 ( 6.128 -7.001 0.000) 9.304 9.397 ( 0.678 7.814 0.000) 7.843 9.778 ( -1.424 -0.279 0.000) 1.451 9.789 ( -2.459 -2.290 0.000) 3.360 9.981 ( -10.360 -0.247 0.000) 10.363 10.162 ( -0.838 19.738 0.000) 19.756 12.678 ( -17.295 -3.846 0.000) 17.717 12.962 ( 9.230 0.463 0.000) 9.242 13.163 ( -15.946 -3.794 0.000) 16.391 15.504 ( 35.494 9.443 0.000) 36.728 15.711 ( 3.651 0.319 0.000) 3.665 16.187 ( 3.453 -0.135 0.000) 3.456 16.323 ( 11.528 -0.053 0.000) 11.528 17.008 ( -4.476 -0.129 0.000) 4.478 17.453 ( -35.617 -15.171 0.000) 38.713 18.552 ( -4.327 -0.331 0.000) 4.340======================= Grid point 29 (22/155) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( 0.000 22.782 0.000) 22.782 0.754 ( 0.000 22.767 0.000) 22.767 1.640 ( 0.000 46.202 0.000) 46.202 2.611 ( 0.000 0.019 0.000) 0.019 2.756 ( -0.000 -11.822 0.000) 11.822 2.780 ( -0.000 -13.325 0.000) 13.325 3.341 ( 0.000 9.272 0.000) 9.272 3.527 ( -0.000 -10.738 0.000) 10.738 3.566 ( 0.000 2.870 0.000) 2.870 3.734 ( 0.000 0.304 0.000) 0.304 3.854 ( 0.000 5.829 0.000) 5.829 3.863 ( 0.000 2.354 0.000) 2.354 4.438 ( -0.000 -0.213 0.000) 0.213 5.621 ( 0.000 8.033 0.000) 8.033 5.763 ( -0.000 -9.420 0.000) 9.420 6.528 ( -0.000 -14.341 0.000) 14.341 6.893 ( 0.000 17.171 0.000) 17.171 7.173 ( -0.000 -17.129 0.000) 17.129 7.404 ( -0.000 -42.513 0.000) 42.513 8.178 ( -0.000 -0.376 0.000) 0.376 8.307 ( -0.000 -0.015 0.000) 0.015 8.446 ( 0.000 7.674 0.000) 7.674 8.456 ( 0.000 7.247 0.000) 7.247 8.727 ( -0.000 -0.929 0.000) 0.929 9.137 ( 0.000 9.177 0.000) 9.177 9.321 ( -0.000 -9.209 0.000) 9.209 9.468 ( -0.000 -5.622 0.000) 5.622 9.519 ( -0.000 -4.535 0.000) 4.535 9.774 ( -0.000 -0.889 0.000) 0.889 9.798 ( -0.000 -0.405 0.000) 0.405 9.857 ( 0.000 0.297 0.000) 0.297 9.970 ( 0.000 24.665 0.000) 24.665 12.452 ( -0.000 -0.387 0.000) 0.387 13.036 ( 0.000 0.542 0.000) 0.542 13.038 ( 0.000 0.524 0.000) 0.524 15.740 ( -0.000 -1.124 0.000) 1.124 16.010 ( -0.000 -1.662 0.000) 1.662 16.212 ( 0.000 1.277 0.000) 1.277 16.436 ( -0.000 -0.046 0.000) 0.046 16.956 ( 0.000 0.166 0.000) 0.166 16.961 ( -0.000 -0.142 0.000) 0.142 18.517 ( -0.000 -0.005 0.000) 0.005======================= Grid point 34 (23/155) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 6.178 0.000 0.000) 6.178 2.149 ( 15.850 0.000 0.000) 15.850 2.258 ( -14.202 -0.000 0.000) 14.202 2.701 ( -9.455 -0.000 0.000) 9.455 3.030 ( -7.948 -0.000 0.000) 7.948 3.069 ( -5.571 -0.000 0.000) 5.571 3.120 ( 9.674 0.000 0.000) 9.674 3.871 ( 0.395 0.000 0.000) 0.395 3.970 ( -11.758 -0.000 0.000) 11.758 4.170 ( 3.035 0.000 0.000) 3.035 4.612 ( 2.091 0.000 0.000) 2.091 4.662 ( -21.808 -0.000 0.000) 21.808 4.804 ( -19.165 -0.000 0.000) 19.165 4.878 ( 10.692 0.000 0.000) 10.692 5.467 ( 1.993 0.000 0.000) 1.993 5.947 ( 4.229 0.000 0.000) 4.229 5.996 ( 2.463 0.000 0.000) 2.463 6.429 ( -0.210 -0.000 0.000) 0.210 7.950 ( -10.162 -0.000 0.000) 10.162 8.068 ( 14.673 0.000 0.000) 14.673 8.398 ( -6.968 -0.000 0.000) 6.968 8.506 ( -0.182 -0.000 0.000) 0.182 8.651 ( 8.977 0.000 0.000) 8.977 8.690 ( 1.928 0.000 0.000) 1.928 9.101 ( -3.013 -0.000 0.000) 3.013 9.222 ( -0.606 -0.000 0.000) 0.606 9.490 ( 4.440 0.000 0.000) 4.440 9.962 ( -3.437 -0.000 0.000) 3.437 10.099 ( -1.301 -0.000 0.000) 1.301 10.260 ( -22.334 -0.000 0.000) 22.334 10.511 ( -15.105 -0.000 0.000) 15.105 11.223 ( -31.386 -0.000 0.000) 31.386 11.759 ( 35.542 0.000 0.000) 35.542 12.443 ( 31.925 0.000 0.000) 31.925 14.299 ( -28.496 -0.000 0.000) 28.496 14.901 ( -2.480 -0.000 0.000) 2.480 15.294 ( 12.455 0.000 0.000) 12.455 15.595 ( 8.764 0.000 0.000) 8.764 15.801 ( 6.887 0.000 0.000) 6.887 17.174 ( -1.223 -0.000 0.000) 1.223 18.131 ( -9.157 -0.000 0.000) 9.157 18.930 ( -8.579 -0.000 0.000) 8.579======================= Grid point 35 (24/155) =======================q-point: (-0.60 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( -9.186 14.136 0.000) 16.858 2.183 ( -1.717 -14.314 0.000) 14.417 2.316 ( -7.496 -0.133 0.000) 7.497 2.583 ( 5.281 -3.343 0.000) 6.250 2.884 ( -8.688 0.756 0.000) 8.721 3.005 ( -2.613 0.085 0.000) 2.615 3.289 ( 9.255 1.458 0.000) 9.369 3.702 ( -15.366 3.773 0.000) 15.822 3.855 ( -0.849 2.299 0.000) 2.451 4.159 ( -34.458 -0.352 0.000) 34.460 4.216 ( 2.006 -0.827 0.000) 2.170 4.472 ( -15.412 3.528 0.000) 15.811 4.597 ( -2.825 3.009 0.000) 4.127 5.077 ( 9.965 -4.222 0.000) 10.822 5.562 ( 6.034 -6.741 0.000) 9.047 6.018 ( 1.231 3.851 0.000) 4.043 6.061 ( 5.167 -6.818 0.000) 8.555 6.468 ( 2.618 -4.311 0.000) 5.044 7.746 ( -8.691 7.754 0.000) 11.647 8.307 ( -1.310 0.025 0.000) 1.311 8.346 ( 13.947 2.076 0.000) 14.101 8.511 ( 0.802 -0.594 0.000) 0.997 8.749 ( 3.767 -0.332 0.000) 3.781 8.824 ( 9.680 -2.380 0.000) 9.968 9.069 ( -3.786 -6.162 0.000) 7.232 9.175 ( -1.299 5.057 0.000) 5.221 9.578 ( -41.701 0.544 0.000) 41.704 9.588 ( 3.814 -4.707 0.000) 6.058 9.891 ( -4.831 -0.581 0.000) 4.866 10.040 ( -3.920 4.031 0.000) 5.622 10.499 ( 3.047 3.614 0.000) 4.727 10.669 ( -31.453 -1.065 0.000) 31.471 12.316 ( 27.682 -0.087 0.000) 27.682 12.893 ( 18.606 3.085 0.000) 18.860 13.775 ( -32.259 -4.137 0.000) 32.524 14.902 ( 5.759 0.601 0.000) 5.790 15.500 ( 10.516 -0.150 0.000) 10.517 15.805 ( 14.452 -0.005 0.000) 14.452 15.939 ( 8.352 0.582 0.000) 8.372 17.141 ( -2.552 -0.022 0.000) 2.552 17.933 ( -14.523 -2.368 0.000) 14.715 18.776 ( -8.760 -0.495 0.000) 8.774======================= Grid point 36 (25/155) =======================q-point: (-0.50 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( -9.754 16.033 0.000) 18.767 1.987 ( -21.584 6.789 0.000) 22.627 2.284 ( -0.642 -14.957 0.000) 14.971 2.707 ( -13.612 -5.941 0.000) 14.852 2.780 ( 2.939 0.046 0.000) 2.940 2.976 ( 3.955 -1.249 0.000) 4.147 3.329 ( -13.029 0.873 0.000) 13.058 3.470 ( -1.920 9.425 0.000) 9.619 3.597 ( -17.928 2.020 0.000) 18.042 3.811 ( -2.205 1.740 0.000) 2.809 4.214 ( -10.082 4.610 0.000) 11.086 4.236 ( -0.748 1.821 0.000) 1.969 4.484 ( -5.356 3.102 0.000) 6.189 5.295 ( 9.744 -6.408 0.000) 11.662 5.778 ( 8.479 -13.399 0.000) 15.856 5.971 ( -1.195 7.177 0.000) 7.275 6.232 ( 4.158 -15.338 0.000) 15.892 6.582 ( 3.464 -9.948 0.000) 10.533 7.535 ( -6.337 11.125 0.000) 12.803 8.278 ( -0.759 0.463 0.000) 0.889 8.545 ( 10.921 6.863 0.000) 12.899 8.551 ( 3.575 0.062 0.000) 3.576 8.785 ( 0.320 2.779 0.000) 2.797 8.878 ( -32.754 -0.426 0.000) 32.757 9.036 ( 8.206 -5.872 0.000) 10.090 9.072 ( -4.627 -9.632 0.000) 10.686 9.144 ( 1.827 0.938 0.000) 2.054 9.679 ( 2.407 -2.441 0.000) 3.429 9.816 ( -3.912 -0.426 0.000) 3.935 9.877 ( -9.487 8.943 0.000) 13.037 10.192 ( -23.107 -4.705 0.000) 23.581 10.492 ( 1.351 7.751 0.000) 7.867 12.724 ( 18.726 0.101 0.000) 18.727 12.973 ( -6.332 8.016 0.000) 10.215 13.308 ( -24.026 -10.886 0.000) 26.377 15.144 ( 23.011 2.988 0.000) 23.204 15.653 ( 7.203 1.281 0.000) 7.316 16.071 ( 6.396 -0.875 0.000) 6.455 16.075 ( 15.612 -0.025 0.000) 15.612 17.084 ( -4.031 -0.058 0.000) 4.032 17.659 ( -20.849 -5.988 0.000) 21.692 18.641 ( -6.905 -0.540 0.000) 6.926======================= Grid point 37 (26/155) =======================q-point: (-0.40 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( -6.513 19.282 0.000) 20.352 1.503 ( -21.817 14.944 0.000) 26.444 2.402 ( 0.098 -15.522 0.000) 15.522 2.540 ( -12.735 -13.512 0.000) 18.567 2.604 ( -5.385 22.979 0.000) 23.601 2.865 ( -26.071 -0.993 0.000) 26.090 3.187 ( 8.445 -9.679 0.000) 12.845 3.503 ( 12.581 8.916 0.000) 15.420 3.523 ( 1.861 6.016 0.000) 6.298 3.758 ( -2.330 0.463 0.000) 2.375 4.045 ( -4.559 5.773 0.000) 7.356 4.100 ( -11.416 3.494 0.000) 11.938 4.431 ( 0.367 0.450 0.000) 0.581 5.500 ( 6.556 -7.203 0.000) 9.740 5.865 ( -2.034 9.037 0.000) 9.263 6.050 ( 6.579 -17.135 0.000) 18.355 6.464 ( 3.369 -25.987 0.000) 26.204 6.736 ( 2.345 -14.712 0.000) 14.898 7.345 ( -4.048 13.657 0.000) 14.244 8.254 ( -2.404 1.775 0.000) 2.988 8.405 ( -17.329 -1.538 0.000) 17.397 8.621 ( 4.887 4.046 0.000) 6.345 8.625 ( 4.949 9.109 0.000) 10.366 8.724 ( -2.166 4.040 0.000) 4.584 9.092 ( -2.655 -10.602 0.000) 10.930 9.221 ( 3.118 -5.110 0.000) 5.986 9.234 ( 5.940 -8.292 0.000) 10.200 9.552 ( -9.989 9.526 0.000) 13.803 9.756 ( 0.544 -1.723 0.000) 1.807 9.769 ( -1.914 -0.622 0.000) 2.013 9.957 ( -9.571 -2.610 0.000) 9.921 10.423 ( 0.111 12.198 0.000) 12.199 12.648 ( -19.967 -0.445 0.000) 19.972 12.969 ( 9.376 0.361 0.000) 9.383 13.114 ( -7.978 -2.467 0.000) 8.350 15.604 ( 30.108 3.720 0.000) 30.337 15.733 ( 4.055 2.135 0.000) 4.583 16.170 ( 3.406 -1.789 0.000) 3.848 16.322 ( 11.528 -0.043 0.000) 11.528 17.006 ( -4.502 -0.104 0.000) 4.503 17.288 ( -27.000 -6.286 0.000) 27.722 18.549 ( -3.695 -0.114 0.000) 3.697======================= Grid point 38 (27/155) =======================q-point: (-0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( 0.000 21.589 0.000) 21.589 1.114 ( 0.000 21.483 0.000) 21.483 2.310 ( 0.000 35.204 0.000) 35.204 2.536 ( -0.000 -14.968 0.000) 14.968 2.541 ( -0.000 -15.839 0.000) 15.839 2.611 ( -0.000 -0.049 0.000) 0.049 3.348 ( -0.000 -10.672 0.000) 10.672 3.484 ( 0.000 7.703 0.000) 7.703 3.640 ( 0.000 6.493 0.000) 6.493 3.736 ( -0.000 -0.053 0.000) 0.053 3.899 ( 0.000 1.974 0.000) 1.974 3.955 ( 0.000 6.484 0.000) 6.484 4.438 ( 0.000 0.225 0.000) 0.225 5.621 ( -0.000 -7.931 0.000) 7.931 5.766 ( 0.000 9.626 0.000) 9.626 6.259 ( -0.000 -18.104 0.000) 18.104 6.758 ( -0.000 -35.844 0.000) 35.844 6.890 ( -0.000 -17.154 0.000) 17.154 7.176 ( 0.000 17.078 0.000) 17.078 8.177 ( 0.000 0.258 0.000) 0.258 8.305 ( -0.000 -0.383 0.000) 0.383 8.588 ( 0.000 9.679 0.000) 9.679 8.592 ( 0.000 9.388 0.000) 9.388 8.715 ( -0.000 -0.593 0.000) 0.593 9.155 ( -0.000 -10.861 0.000) 10.861 9.241 ( 0.000 1.684 0.000) 1.684 9.355 ( -0.000 -8.080 0.000) 8.080 9.459 ( -0.000 -1.068 0.000) 1.068 9.759 ( -0.000 -0.884 0.000) 0.884 9.792 ( -0.000 -0.419 0.000) 0.419 9.857 ( -0.000 -0.305 0.000) 0.305 10.305 ( 0.000 16.633 0.000) 16.633 12.444 ( -0.000 -0.547 0.000) 0.547 13.045 ( 0.000 0.531 0.000) 0.531 13.047 ( 0.000 0.513 0.000) 0.513 15.743 ( 0.000 1.517 0.000) 1.517 15.983 ( -0.000 -1.516 0.000) 1.516 16.213 ( -0.000 -1.156 0.000) 1.156 16.435 ( -0.000 -0.046 0.000) 0.046 16.958 ( -0.000 -0.142 0.000) 0.142 16.959 ( 0.000 0.166 0.000) 0.166 18.517 ( 0.000 0.034 0.000) 0.034======================= Grid point 45 (28/155) =======================q-point: (-0.60 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -10.127 -0.000 0.000) 10.127 2.046 ( -18.710 -0.000 0.000) 18.710 2.114 ( 0.417 0.000 0.000) 0.417 2.647 ( -18.448 -0.000 0.000) 18.448 2.756 ( 10.999 0.000 0.000) 10.999 2.990 ( 1.124 0.000 0.000) 1.124 3.335 ( -16.167 -0.000 0.000) 16.167 3.556 ( -1.719 -0.000 0.000) 1.719 3.615 ( -14.495 -0.000 0.000) 14.495 3.825 ( -3.192 -0.000 0.000) 3.192 4.251 ( 1.072 0.000 0.000) 1.072 4.256 ( -10.360 -0.000 0.000) 10.360 4.519 ( -6.861 -0.000 0.000) 6.861 5.238 ( 10.130 0.000 0.000) 10.130 5.655 ( 7.737 0.000 0.000) 7.737 6.040 ( -0.702 -0.000 0.000) 0.702 6.103 ( 2.599 0.000 0.000) 2.599 6.491 ( 2.093 0.000 0.000) 2.093 7.638 ( -6.669 -0.000 0.000) 6.669 8.282 ( -0.433 -0.000 0.000) 0.433 8.550 ( 3.990 0.000 0.000) 3.990 8.612 ( 12.741 0.000 0.000) 12.741 8.810 ( 2.764 0.000 0.000) 2.764 8.873 ( -30.600 -0.000 0.000) 30.600 8.983 ( -3.231 -0.000 0.000) 3.231 8.983 ( 3.094 0.000 0.000) 3.094 9.155 ( -2.459 -0.000 0.000) 2.459 9.649 ( 4.833 0.000 0.000) 4.833 9.812 ( -3.877 -0.000 0.000) 3.877 9.981 ( -4.874 -0.000 0.000) 4.874 10.128 ( -28.547 -0.000 0.000) 28.547 10.555 ( 1.572 0.000 0.000) 1.572 12.725 ( 18.827 0.000 0.000) 18.827 13.092 ( 3.016 0.000 0.000) 3.016 13.166 ( -33.413 -0.000 0.000) 33.413 15.168 ( 23.396 0.000 0.000) 23.396 15.664 ( 7.888 0.000 0.000) 7.888 16.063 ( 5.611 0.000 0.000) 5.611 16.075 ( 15.605 0.000 0.000) 15.605 17.083 ( -4.039 -0.000 0.000) 4.039 17.611 ( -20.690 -0.000 0.000) 20.690 18.637 ( -6.613 -0.000 0.000) 6.613======================= Grid point 47 (29/155) =======================q-point: (-0.50 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( -5.525 12.317 0.000) 13.500 1.709 ( -15.283 8.576 0.000) 17.525 2.168 ( 0.077 -11.124 0.000) 11.125 2.341 ( -16.477 -8.403 0.000) 18.496 2.840 ( 0.543 6.062 0.000) 6.086 2.855 ( -25.597 -0.318 0.000) 25.599 3.084 ( 7.588 -2.798 0.000) 8.087 3.588 ( 1.720 1.988 0.000) 2.629 3.631 ( 11.441 5.121 0.000) 12.535 3.761 ( -3.406 -0.051 0.000) 3.406 4.118 ( -4.290 2.614 0.000) 5.024 4.159 ( -11.675 2.807 0.000) 12.007 4.440 ( -0.377 0.494 0.000) 0.621 5.413 ( 7.492 -3.069 0.000) 8.096 5.820 ( 6.284 -8.542 0.000) 10.604 5.996 ( -1.488 5.229 0.000) 5.437 6.162 ( 0.186 -9.882 0.000) 9.884 6.546 ( 0.916 -7.355 0.000) 7.412 7.523 ( -3.290 6.524 0.000) 7.307 8.280 ( -0.285 1.122 0.000) 1.157 8.382 ( -19.981 -0.986 0.000) 20.006 8.642 ( 5.833 0.100 0.000) 5.834 8.758 ( 6.311 5.889 0.000) 8.632 8.820 ( 0.070 4.992 0.000) 4.992 8.956 ( -2.164 -5.063 0.000) 5.506 9.111 ( 4.971 -5.556 0.000) 7.455 9.135 ( -0.786 -4.198 0.000) 4.271 9.678 ( -15.815 5.235 0.000) 16.659 9.735 ( 2.636 -0.875 0.000) 2.777 9.761 ( -2.022 -0.266 0.000) 2.039 9.908 ( -5.849 -2.594 0.000) 6.399 10.555 ( 0.388 4.082 0.000) 4.100 12.648 ( -22.741 0.176 0.000) 22.741 12.973 ( 9.472 0.134 0.000) 9.473 13.085 ( -3.069 -0.969 0.000) 3.218 15.641 ( 27.933 1.053 0.000) 27.952 15.765 ( 4.165 1.340 0.000) 4.376 16.142 ( 2.846 -1.237 0.000) 3.103 16.322 ( 11.528 -0.016 0.000) 11.528 17.005 ( -4.518 -0.040 0.000) 4.518 17.226 ( -23.021 -1.730 0.000) 23.086 18.548 ( -3.460 -0.026 0.000) 3.460======================= Grid point 48 (30/155) =======================q-point: (-0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 0.000 17.714 0.000) 17.714 1.441 ( 0.000 17.992 0.000) 17.992 2.282 ( -0.000 -15.251 0.000) 15.251 2.288 ( -0.000 -14.722 0.000) 14.722 2.609 ( -0.000 -0.063 0.000) 0.063 2.740 ( 0.000 17.163 0.000) 17.163 3.203 ( -0.000 -6.650 0.000) 6.650 3.579 ( 0.000 3.848 0.000) 3.848 3.724 ( 0.000 0.217 0.000) 0.217 3.787 ( 0.000 9.103 0.000) 9.103 3.924 ( 0.000 1.097 0.000) 1.097 4.052 ( 0.000 4.844 0.000) 4.844 4.443 ( 0.000 0.387 0.000) 0.387 5.515 ( -0.000 -4.803 0.000) 4.803 5.920 ( 0.000 8.735 0.000) 8.735 5.978 ( -0.000 -14.851 0.000) 14.851 6.288 ( -0.000 -20.868 0.000) 20.868 6.639 ( -0.000 -12.918 0.000) 12.918 7.419 ( 0.000 11.820 0.000) 11.820 8.184 ( 0.000 0.528 0.000) 0.528 8.296 ( -0.000 -0.567 0.000) 0.567 8.708 ( -0.000 -0.206 0.000) 0.206 8.748 ( 0.000 9.160 0.000) 9.160 8.749 ( 0.000 9.545 0.000) 9.545 8.991 ( -0.000 -8.432 0.000) 8.432 9.180 ( -0.000 -7.035 0.000) 7.035 9.217 ( -0.000 -8.424 0.000) 8.424 9.494 ( 0.000 3.392 0.000) 3.392 9.747 ( -0.000 -0.552 0.000) 0.552 9.785 ( -0.000 -0.446 0.000) 0.446 9.849 ( -0.000 -0.478 0.000) 0.478 10.507 ( 0.000 8.304 0.000) 8.304 12.436 ( -0.000 -0.422 0.000) 0.422 13.052 ( 0.000 0.322 0.000) 0.322 13.054 ( 0.000 0.312 0.000) 0.312 15.781 ( 0.000 2.694 0.000) 2.694 15.962 ( -0.000 -1.016 0.000) 1.016 16.182 ( -0.000 -2.215 0.000) 2.215 16.435 ( -0.000 -0.029 0.000) 0.029 16.956 ( -0.000 -0.087 0.000) 0.087 16.961 ( 0.000 0.103 0.000) 0.103 18.517 ( 0.000 0.040 0.000) 0.040======================= Grid point 58 (31/155) =======================q-point: ( 0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( -0.000 -0.000 0.000) 0.000 1.622 ( -0.000 -0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.844 ( 0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.115 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.291 ( -0.000 -0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 8.842 ( -0.000 -0.000 0.000) 0.000 8.849 ( -0.000 -0.000 0.000) 0.000 8.916 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.129 ( 0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 9.780 ( 0.000 0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 10.574 ( 0.000 0.000 0.000) 0.000 12.432 ( 0.000 0.000 0.000) 0.000 13.055 ( 0.000 0.000 0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 15.808 ( 0.000 0.000 0.000) 0.000 15.953 ( 0.000 0.000 0.000) 0.000 16.160 ( 0.000 0.000 0.000) 0.000 16.434 ( 0.000 0.000 0.000) 0.000 16.956 ( 0.000 0.000 0.000) 0.000 16.962 ( 0.000 0.000 0.000) 0.000 18.518 ( 0.000 0.000 0.000) 0.000======================= Grid point 105 (32/155) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( 0.000 0.000 22.703) 22.703 0.481 ( 0.000 0.000 24.415) 24.415 1.184 ( 0.000 0.000 59.416) 59.416 2.836 ( 0.000 0.000 13.964) 13.964 2.973 ( 0.000 0.000 -9.533) 9.533 2.998 ( 0.000 0.000 10.001) 10.001 3.070 ( 0.000 0.000 -5.068) 5.068 3.504 ( 0.000 0.000 10.956) 10.956 3.735 ( 0.000 0.000 0.532) 0.532 3.774 ( 0.000 0.000 -3.092) 3.092 3.777 ( 0.000 0.000 3.795) 3.795 3.803 ( 0.000 0.000 7.059) 7.059 4.406 ( 0.000 0.000 -3.681) 3.681 5.418 ( 0.000 0.000 -5.531) 5.531 6.017 ( 0.000 0.000 1.662) 1.662 6.476 ( 0.000 0.000 -4.717) 4.717 6.667 ( 0.000 0.000 -10.023) 10.023 7.466 ( 0.000 0.000 -5.236) 5.236 7.987 ( 0.000 0.000 -0.736) 0.736 8.229 ( 0.000 0.000 -4.907) 4.907 8.282 ( 0.000 0.000 -1.210) 1.210 8.420 ( 0.000 0.000 21.857) 21.857 8.623 ( 0.000 0.000 2.938) 2.938 8.800 ( 0.000 0.000 -2.568) 2.568 8.919 ( 0.000 0.000 -0.115) 0.115 9.151 ( 0.000 0.000 -2.232) 2.232 9.172 ( 0.000 0.000 3.259) 3.259 9.529 ( 0.000 0.000 -6.958) 6.958 9.725 ( 0.000 0.000 21.342) 21.342 9.830 ( 0.000 0.000 -0.704) 0.704 9.843 ( 0.000 0.000 3.340) 3.340 9.873 ( 0.000 0.000 7.955) 7.955 12.929 ( 0.000 0.000 -9.980) 9.980 12.972 ( 0.000 0.000 -5.898) 5.898 13.906 ( 0.000 0.000 6.882) 6.882 14.478 ( 0.000 0.000 2.870) 2.870 15.756 ( 0.000 0.000 -4.721) 4.721 16.124 ( 0.000 0.000 -2.715) 2.715 16.301 ( 0.000 0.000 -12.316) 12.316 17.012 ( 0.000 0.000 4.673) 4.673 18.486 ( 0.000 0.000 -2.685) 2.685 18.958 ( 0.000 0.000 4.243) 4.243======================= Grid point 106 (33/155) =======================q-point: ( 0.10 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 13.560 -20.542 14.712) 28.676 0.994 ( 27.912 -3.915 22.405) 36.005 1.429 ( 30.585 -7.093 39.438) 50.410 2.973 ( -1.615 -3.467 -8.817) 9.611 2.975 ( 10.390 2.452 6.314) 12.403 3.069 ( -2.617 -4.918 -4.205) 6.980 3.195 ( 21.310 0.919 14.109) 25.574 3.380 ( 0.945 11.656 10.961) 16.028 3.687 ( -4.143 2.047 1.004) 4.729 3.748 ( -2.056 0.622 0.886) 2.324 3.756 ( 0.451 4.082 -0.900) 4.204 3.966 ( 7.174 -12.597 6.163) 15.752 4.389 ( -1.507 -0.106 -3.980) 4.257 5.443 ( 1.567 -2.755 -5.647) 6.476 5.949 ( -4.778 5.802 2.147) 7.817 6.459 ( -6.081 -8.631 -3.489) 11.120 6.574 ( -8.579 3.361 -9.254) 13.059 7.294 ( -13.870 4.027 -5.777) 15.555 8.121 ( 8.577 -4.213 -0.601) 9.575 8.351 ( 9.407 16.941 -0.977) 19.402 8.374 ( 2.823 -1.315 0.912) 3.245 8.447 ( 2.203 -0.542 21.887) 22.004 8.483 ( 5.436 13.254 -0.071) 14.326 8.828 ( 4.114 4.791 -0.983) 6.391 8.992 ( 1.655 -11.067 -1.384) 11.276 9.090 ( -0.861 -10.090 -1.395) 10.223 9.329 ( 0.457 -14.263 0.480) 14.278 9.461 ( -3.568 0.893 -2.737) 4.585 9.742 ( 4.191 4.077 18.639) 19.535 9.822 ( 1.318 0.643 1.856) 2.365 9.920 ( 4.818 -0.474 6.513) 8.116 10.015 ( 10.278 -1.364 3.179) 10.844 12.839 ( -7.939 3.149 -8.567) 12.097 12.939 ( -4.133 -0.277 -5.294) 6.722 13.751 ( 5.209 17.579 9.546) 20.670 14.585 ( -5.472 -20.573 -5.402) 21.963 15.706 ( -5.028 1.019 -4.734) 6.981 16.046 ( -5.344 -0.841 -6.571) 8.511 16.365 ( -1.497 0.179 -4.532) 4.776 16.982 ( 0.514 -0.128 1.657) 1.739 18.441 ( -1.632 6.519 -1.659) 6.922 18.885 ( 6.740 20.553 7.691) 22.957======================= Grid point 107 (34/155) =======================q-point: ( 0.20 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( 15.650 -21.244 10.269) 28.314 1.373 ( 15.846 -8.001 30.413) 35.214 2.222 ( 44.653 -5.359 11.589) 46.442 2.947 ( -4.140 -3.298 -4.394) 6.879 3.010 ( -4.109 1.072 3.676) 5.617 3.058 ( -0.833 -1.735 0.866) 2.111 3.376 ( 9.609 10.942 0.158) 14.563 3.560 ( -3.961 9.708 1.899) 10.656 3.706 ( -2.424 0.341 0.793) 2.573 3.735 ( 26.009 0.628 8.769) 27.455 3.778 ( 12.207 -0.247 -0.973) 12.248 4.205 ( 8.420 -12.467 9.960) 18.042 4.372 ( 0.170 0.004 -4.724) 4.727 5.509 ( 1.679 -5.839 -5.398) 8.127 5.770 ( -8.269 8.913 4.053) 12.816 6.337 ( -12.519 6.045 -7.683) 15.883 6.412 ( -9.385 -12.559 -0.835) 15.701 6.996 ( -15.093 4.207 -6.114) 16.819 8.104 ( -3.001 28.117 5.348) 28.778 8.289 ( 6.624 1.086 0.791) 6.759 8.375 ( -3.863 -2.224 3.562) 5.706 8.485 ( 2.690 0.658 22.455) 22.625 8.782 ( 16.949 -1.895 -5.265) 17.849 8.861 ( 6.729 5.828 -1.210) 8.984 9.064 ( 1.554 -2.896 -7.606) 8.286 9.263 ( 9.053 -11.343 6.508) 15.905 9.385 ( -4.955 -1.120 7.927) 9.415 9.449 ( -0.134 -13.482 0.914) 13.513 9.815 ( 7.800 3.139 12.674) 15.209 9.866 ( 3.900 -0.640 -0.144) 3.955 9.999 ( 3.476 0.152 5.837) 6.795 10.254 ( 17.363 -1.697 2.715) 17.656 12.632 ( -14.743 0.214 -7.494) 16.540 12.812 ( -10.367 -0.509 -2.922) 10.783 13.854 ( 16.180 8.560 -1.854) 18.398 14.621 ( -2.419 -9.196 -5.243) 10.859 15.573 ( -9.309 0.292 -5.042) 10.591 15.921 ( -10.467 -0.039 -8.676) 13.595 16.259 ( -7.537 0.117 5.625) 9.405 17.035 ( 3.801 -0.185 -2.962) 4.822 18.347 ( -1.746 8.169 -1.472) 8.482 18.885 ( 7.726 12.979 0.957) 15.135======================= Grid point 108 (35/155) =======================q-point: ( 0.30 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( 15.428 -13.774 12.679) 24.260 1.741 ( 15.078 -15.766 19.762) 29.435 2.795 ( 4.441 3.694 2.336) 6.231 2.895 ( -4.550 -1.567 -1.192) 4.958 2.994 ( 7.249 -3.860 0.238) 8.217 3.088 ( 12.736 4.108 8.770) 16.000 3.306 ( -7.479 13.346 1.312) 15.355 3.533 ( 9.022 1.878 -2.018) 9.434 3.635 ( -3.142 0.477 -0.641) 3.242 3.892 ( 7.985 -0.500 -13.194) 15.430 4.265 ( 13.705 0.542 -4.176) 14.337 4.464 ( 13.311 -8.877 13.759) 21.102 4.472 ( 16.914 -1.430 9.288) 19.350 5.535 ( -9.325 9.200 6.642) 14.687 5.587 ( 0.114 -8.068 -3.834) 8.934 6.063 ( -11.326 8.016 -5.896) 15.077 6.349 ( -9.075 -12.218 1.542) 15.297 6.724 ( -11.883 3.400 -5.592) 13.566 7.855 ( -1.819 21.805 7.174) 23.027 8.213 ( -8.549 1.697 2.662) 9.113 8.443 ( 4.752 -2.524 0.290) 5.389 8.520 ( 2.798 2.552 19.467) 19.832 8.826 ( -1.256 3.175 0.323) 3.429 8.932 ( -1.055 1.613 -5.295) 5.635 9.141 ( -4.784 -1.478 5.821) 7.678 9.408 ( 6.610 -8.370 2.961) 11.069 9.496 ( 0.775 -7.181 5.858) 9.300 9.662 ( 26.309 -1.945 6.393) 27.144 9.931 ( 6.386 2.403 3.869) 7.844 9.983 ( 5.969 -7.083 1.434) 9.373 10.058 ( 6.082 2.607 6.127) 9.018 10.658 ( 26.736 -1.354 -1.814) 26.832 12.292 ( -24.605 -0.896 -3.635) 24.889 12.591 ( -16.779 -2.904 -3.683) 17.422 14.122 ( 20.250 6.440 -6.723) 22.288 14.691 ( 4.949 -3.543 -5.671) 8.319 15.383 ( -12.878 -1.944 -5.876) 14.289 15.688 ( -14.511 1.090 -8.743) 16.977 16.131 ( -6.847 0.947 10.813) 12.834 17.092 ( 2.389 -0.164 -3.988) 4.652 18.260 ( -1.317 6.236 -3.498) 7.270 18.920 ( 5.546 8.087 -4.370) 10.736======================= Grid point 109 (36/155) =======================q-point: ( 0.40 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 12.902 -6.624 16.228) 21.765 2.132 ( 12.317 -19.507 10.241) 25.241 2.686 ( -5.959 4.785 2.628) 8.082 2.818 ( -4.992 3.162 2.335) 6.354 3.016 ( -2.769 -3.456 3.013) 5.356 3.049 ( -6.575 12.326 2.042) 14.118 3.297 ( 8.257 9.036 1.574) 12.341 3.556 ( -3.434 -2.747 -2.623) 5.121 3.835 ( 17.598 -2.700 -5.554) 18.650 4.014 ( 5.279 0.273 -13.437) 14.440 4.321 ( -0.822 0.406 -13.824) 13.855 4.716 ( 9.171 -9.443 15.314) 20.194 4.896 ( 20.320 1.075 14.529) 25.003 5.303 ( -8.355 8.310 9.828) 15.344 5.648 ( -1.380 -9.267 -2.652) 9.737 5.839 ( -5.738 8.795 -3.897) 11.201 6.299 ( -5.540 -7.539 3.084) 9.851 6.539 ( -6.414 1.977 -4.770) 8.234 7.695 ( -1.017 11.246 8.542) 14.159 8.051 ( -7.312 1.335 -0.690) 7.465 8.521 ( 2.271 -0.893 2.213) 3.295 8.548 ( 2.839 2.552 7.947) 8.816 8.749 ( -5.082 -0.313 6.901) 8.576 8.889 ( -0.847 3.994 2.401) 4.736 9.039 ( -4.726 -0.913 14.928) 15.685 9.518 ( -0.778 -3.110 2.097) 3.831 9.584 ( 3.781 -7.688 -0.098) 8.568 9.956 ( 2.799 0.977 -3.017) 4.230 10.043 ( 8.616 4.049 8.880) 13.019 10.083 ( 0.166 -6.012 1.966) 6.328 10.440 ( 37.620 -0.538 4.841) 37.934 11.172 ( 29.415 -0.155 -3.833) 29.664 11.790 ( -32.456 -0.084 0.344) 32.458 12.262 ( -23.470 -3.805 -5.053) 24.307 14.431 ( 19.710 5.548 -7.439) 21.786 14.840 ( 8.463 -0.861 -6.480) 10.694 15.170 ( -13.485 -5.434 -7.716) 16.460 15.426 ( -13.278 2.270 -10.907) 17.332 16.008 ( -5.471 1.370 16.765) 17.689 17.123 ( 1.085 -0.095 -4.600) 4.727 18.205 ( -0.536 3.187 -5.910) 6.737 18.943 ( 2.728 4.212 -7.033) 8.640======================= Grid point 110 (37/155) =======================q-point: (-0.50 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 0.000 -0.000 18.897) 18.897 2.391 ( 0.000 -0.000 1.779) 1.779 2.624 ( 0.000 -0.000 5.657) 5.657 2.648 ( 0.000 -0.000 6.464) 6.464 2.946 ( 0.000 -0.000 -0.925) 0.925 3.009 ( -0.000 -0.000 5.503) 5.503 3.317 ( 0.000 -0.000 -1.287) 1.287 3.538 ( 0.000 -0.000 -3.546) 3.546 4.027 ( 0.000 -0.000 -13.587) 13.587 4.071 ( 0.000 -0.000 -6.201) 6.201 4.288 ( 0.000 -0.000 -15.572) 15.572 4.874 ( 0.000 -0.000 16.453) 16.453 5.078 ( 0.000 -0.000 13.731) 13.731 5.160 ( 0.000 0.000 10.672) 10.672 5.682 ( 0.000 -0.000 -3.315) 3.315 5.742 ( 0.000 0.000 -1.423) 1.423 6.281 ( -0.000 -0.000 3.624) 3.624 6.474 ( 0.000 -0.000 -4.390) 4.390 7.640 ( 0.000 -0.000 8.910) 8.910 7.974 ( 0.000 -0.000 -2.204) 2.204 8.548 ( 0.000 -0.000 1.174) 1.174 8.561 ( -0.000 -0.000 -1.497) 1.497 8.698 ( 0.000 -0.000 16.775) 16.775 8.859 ( 0.000 -0.000 8.119) 8.119 9.005 ( 0.000 -0.000 13.206) 13.206 9.522 ( 0.000 -0.000 1.461) 1.461 9.654 ( 0.000 -0.000 -1.020) 1.020 9.966 ( 0.000 0.000 -2.530) 2.530 10.101 ( 0.000 -0.000 2.534) 2.534 10.108 ( 0.000 0.000 7.644) 7.644 11.099 ( -0.000 0.000 0.145) 0.145 11.171 ( 0.000 -0.000 3.466) 3.466 11.582 ( 0.000 -0.000 -0.840) 0.840 11.947 ( 0.000 -0.000 -7.190) 7.190 14.639 ( -0.000 -0.000 -5.673) 5.673 14.882 ( 0.000 0.000 -7.459) 7.459 15.119 ( 0.000 -0.000 -6.826) 6.826 15.240 ( 0.000 0.000 -15.586) 15.586 15.948 ( 0.000 0.000 20.018) 20.018 17.133 ( 0.000 -0.000 -4.842) 4.842 18.188 ( 0.000 -0.000 -6.944) 6.944 18.949 ( 0.000 -0.000 -7.780) 7.780======================= Grid point 117 (38/155) =======================q-point: ( 0.10 0.10 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.920 ( 19.439 0.000 11.272) 22.471 1.314 ( 15.924 0.000 34.780) 38.252 2.182 ( 48.382 0.000 11.635) 49.762 2.912 ( -3.409 -0.000 -6.993) 7.780 2.982 ( -4.808 -0.000 -3.704) 6.070 3.081 ( 1.118 0.000 10.179) 10.240 3.484 ( 6.730 0.000 -1.544) 6.905 3.624 ( -5.065 -0.000 0.298) 5.073 3.709 ( -0.945 -0.000 -2.507) 2.679 3.751 ( 34.650 0.000 16.007) 38.168 3.819 ( 2.630 0.000 0.192) 2.637 4.052 ( 10.438 0.000 8.021) 13.164 4.373 ( 0.253 0.000 -4.888) 4.895 5.459 ( 1.386 0.000 -5.497) 5.669 5.862 ( -8.021 -0.000 4.121) 9.018 6.283 ( -9.141 -0.000 -0.944) 9.189 6.390 ( -13.014 -0.000 -7.996) 15.274 7.024 ( -16.675 -0.000 -5.171) 17.458 8.281 ( 8.927 0.000 1.808) 9.108 8.293 ( -9.842 -0.000 9.878) 13.944 8.487 ( 2.074 0.000 22.089) 22.186 8.522 ( -2.679 -0.000 0.612) 2.748 8.725 ( 15.519 0.000 -7.878) 17.404 8.969 ( 6.979 0.000 1.558) 7.151 8.979 ( 7.388 0.000 -9.266) 11.850 9.139 ( 8.028 0.000 4.105) 9.017 9.267 ( 1.597 0.000 2.719) 3.154 9.407 ( -3.349 -0.000 6.779) 7.561 9.858 ( 7.151 0.000 16.253) 17.756 9.860 ( 2.738 0.000 0.743) 2.837 9.997 ( 3.767 0.000 4.451) 5.831 10.238 ( 17.733 0.000 2.525) 17.912 12.635 ( -16.308 -0.000 -7.837) 18.093 12.808 ( -10.761 -0.000 -3.621) 11.354 13.936 ( 11.621 0.000 -6.200) 13.171 14.532 ( 4.044 0.000 -0.393) 4.063 15.576 ( -10.124 -0.000 -5.238) 11.398 15.920 ( -9.818 -0.000 -8.610) 13.058 16.260 ( -7.418 -0.000 5.611) 9.301 17.034 ( 3.844 0.000 -3.115) 4.948 18.408 ( -3.862 -0.000 -2.945) 4.857 19.019 ( 2.357 0.000 -1.776) 2.951======================= Grid point 118 (39/155) =======================q-point: ( 0.20 0.10 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( 18.636 -10.815 7.813) 22.919 1.610 ( 16.384 -2.907 29.586) 33.944 2.836 ( -0.884 1.020 -4.023) 4.244 2.872 ( 3.734 0.454 -0.593) 3.808 2.917 ( 6.392 -4.154 -0.348) 7.631 3.159 ( 19.299 2.616 12.424) 23.101 3.472 ( -5.840 6.522 0.944) 8.805 3.529 ( -4.430 -1.683 -0.478) 4.763 3.698 ( 1.327 4.016 -4.167) 5.937 3.903 ( 8.298 1.801 -4.168) 9.459 4.269 ( 13.036 -0.487 -2.936) 13.372 4.297 ( 11.709 -7.154 4.691) 14.501 4.483 ( 21.553 0.417 11.096) 24.245 5.486 ( -0.094 -3.464 -4.867) 5.975 5.674 ( -9.897 6.289 7.818) 14.094 6.152 ( -11.718 2.616 -6.081) 13.459 6.159 ( -8.995 -8.296 1.440) 12.321 6.749 ( -13.823 0.338 -4.847) 14.652 8.079 ( -11.163 3.884 7.857) 14.193 8.327 ( -4.987 7.075 -0.965) 8.710 8.454 ( 6.042 6.514 4.083) 9.778 8.555 ( 4.273 1.395 23.633) 24.057 8.825 ( -4.378 -3.270 -6.991) 8.873 9.016 ( 5.393 8.534 -1.590) 10.220 9.109 ( -3.959 -1.971 0.496) 4.450 9.219 ( 2.238 -13.808 2.182) 14.157 9.378 ( -0.669 -4.353 11.023) 11.870 9.625 ( 30.924 -1.578 2.874) 31.098 9.922 ( 3.893 -1.241 -0.052) 4.086 9.988 ( 8.756 2.989 10.843) 14.253 10.076 ( 6.638 -0.144 5.129) 8.390 10.641 ( 27.363 -0.576 -1.972) 27.440 12.281 ( -24.330 -0.356 -4.562) 24.757 12.560 ( -17.891 -0.963 -2.870) 18.145 14.197 ( 18.686 2.577 -8.664) 20.758 14.643 ( 7.412 -1.822 -3.509) 8.401 15.361 ( -14.540 -0.742 -5.854) 15.692 15.701 ( -14.046 0.403 -8.377) 16.359 16.144 ( -5.961 0.506 9.935) 11.597 17.090 ( 2.445 -0.058 -4.186) 4.848 18.327 ( -4.006 2.024 -4.607) 6.432 19.033 ( 1.777 4.453 -5.445) 7.254======================= Grid point 119 (40/155) =======================q-point: ( 0.30 0.10 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( 16.500 -13.494 6.133) 22.180 1.918 ( 14.197 -5.445 24.042) 28.447 2.714 ( -9.062 -0.627 -0.906) 9.129 2.830 ( -2.339 -0.095 -0.953) 2.527 2.983 ( 0.463 -0.652 4.338) 4.411 3.259 ( -8.671 10.805 2.676) 14.110 3.377 ( -5.254 0.551 -0.235) 5.288 3.603 ( 10.256 8.004 1.659) 13.115 3.796 ( 16.210 -2.478 -5.035) 17.154 4.022 ( 5.380 0.589 -7.876) 9.556 4.325 ( -1.094 0.122 -15.064) 15.104 4.565 ( 11.564 -8.342 9.380) 17.068 4.914 ( 19.900 0.966 14.364) 24.562 5.439 ( -9.629 7.988 12.147) 17.438 5.513 ( -1.391 -6.685 -3.456) 7.653 5.955 ( -6.295 5.158 -4.284) 9.197 6.114 ( -5.835 -12.260 3.258) 13.963 6.552 ( -8.403 -0.290 -4.137) 9.371 7.877 ( -6.346 6.548 5.020) 10.409 8.137 ( -6.566 9.929 0.056) 11.904 8.513 ( 3.215 1.309 3.996) 5.293 8.603 ( 2.327 3.767 12.615) 13.369 8.735 ( -5.575 -1.796 5.362) 7.941 8.961 ( -6.245 1.583 10.161) 12.031 9.055 ( 2.237 5.355 2.598) 6.359 9.377 ( -0.031 -12.200 3.321) 12.644 9.444 ( 3.040 -8.819 3.463) 9.950 9.946 ( 3.130 -1.618 -4.167) 5.457 10.036 ( 4.042 -0.371 -0.335) 4.073 10.121 ( 9.451 4.391 8.768) 13.619 10.433 ( 36.550 -0.401 6.336) 37.097 11.175 ( 31.948 0.362 -4.103) 32.212 11.786 ( -32.247 -0.337 -0.412) 32.251 12.206 ( -23.693 -2.787 -3.728) 24.146 14.511 ( 18.748 3.920 -8.296) 20.872 14.818 ( 10.385 -1.641 -5.787) 12.001 15.091 ( -17.350 -3.701 -6.821) 19.006 15.455 ( -12.561 1.199 -10.370) 16.333 16.036 ( -5.011 1.704 15.193) 16.088 17.122 ( 1.161 -0.055 -4.737) 4.877 18.246 ( -3.279 1.746 -6.466) 7.457 19.012 ( -0.448 3.737 -7.514) 8.404======================= Grid point 120 (41/155) =======================q-point: ( 0.40 0.10 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.048 ( 8.836 -2.223 15.043) 17.587 2.189 ( 9.437 -13.907 9.457) 19.285 2.586 ( -5.122 -4.053 3.746) 7.530 2.759 ( -5.629 5.215 1.710) 7.862 2.998 ( 0.174 3.329 1.729) 3.755 3.048 ( -2.050 6.963 4.682) 8.637 3.258 ( -8.812 -4.720 -2.249) 10.246 3.635 ( 4.420 8.948 -2.957) 10.410 4.038 ( 4.586 0.891 -11.517) 12.428 4.069 ( -0.953 -0.205 -4.429) 4.535 4.287 ( -0.819 -0.045 -16.270) 16.290 4.812 ( 8.731 -6.042 11.180) 15.419 5.078 ( -1.200 0.199 13.806) 13.860 5.225 ( -7.430 6.307 14.364) 17.358 5.556 ( -0.253 -8.724 -2.618) 9.112 5.853 ( -0.165 7.032 -2.156) 7.357 6.153 ( -1.259 -12.630 3.171) 13.083 6.466 ( -2.008 -1.435 -3.347) 4.159 7.754 ( -0.730 10.784 5.759) 12.247 7.990 ( -2.333 2.555 -1.810) 3.904 8.536 ( -1.160 -0.439 0.659) 1.405 8.564 ( -2.173 0.163 0.636) 2.270 8.711 ( 1.838 1.708 17.316) 17.497 8.876 ( -2.151 0.170 14.248) 14.411 9.051 ( 2.870 6.457 6.503) 9.603 9.430 ( -2.800 -10.228 3.780) 11.258 9.585 ( 3.662 -7.490 -0.092) 8.337 9.967 ( -1.319 -1.192 -2.858) 3.365 10.061 ( -0.053 1.262 1.676) 2.099 10.214 ( 5.898 6.422 5.883) 10.519 11.104 ( 14.949 0.523 0.812) 14.980 11.166 ( -14.835 -0.534 3.156) 15.176 11.610 ( -1.989 3.395 -1.532) 4.222 11.909 ( 5.935 -4.502 -6.792) 10.081 14.652 ( -9.389 1.568 -5.855) 11.176 14.864 ( 0.561 -2.089 -7.167) 7.486 15.068 ( 9.960 -4.303 -6.889) 12.852 15.275 ( -3.696 2.717 -14.693) 15.393 15.966 ( -0.469 1.913 19.180) 19.280 17.133 ( 0.081 -0.001 -4.841) 4.841 18.187 ( -2.803 -0.164 -6.946) 7.492 18.959 ( -3.173 1.093 -7.918) 8.600======================= Grid point 121 (42/155) =======================q-point: (-0.50 0.10 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( -9.033 6.936 17.498) 20.878 2.391 ( -3.531 5.042 3.459) 7.061 2.583 ( -0.695 -3.776 4.268) 5.741 2.681 ( 6.633 -10.385 8.833) 15.161 2.956 ( 0.714 0.237 -0.451) 0.877 3.083 ( 5.263 3.947 2.786) 7.144 3.152 ( -9.436 -7.470 -0.511) 12.046 3.643 ( 4.274 6.958 -3.720) 8.973 3.887 ( -16.540 3.472 -3.949) 17.355 4.018 ( -3.854 0.974 -16.248) 16.728 4.311 ( 0.436 -0.804 -12.319) 12.353 4.850 ( -6.944 6.120 16.912) 19.279 4.883 ( -19.407 -0.032 15.365) 24.754 5.183 ( 5.193 -5.919 8.503) 11.588 5.670 ( 4.963 -10.232 -3.482) 11.893 5.806 ( 1.167 8.416 -1.881) 8.703 6.271 ( 4.046 -10.316 1.804) 11.227 6.503 ( 4.086 -2.727 -3.333) 5.936 7.644 ( -3.544 5.621 7.514) 10.031 8.047 ( 8.719 0.259 -2.471) 9.066 8.498 ( -2.692 -2.151 6.774) 7.600 8.543 ( -1.636 0.432 0.868) 1.901 8.753 ( 3.356 0.163 7.963) 8.643 8.870 ( 1.568 0.929 6.468) 6.720 9.071 ( 4.909 3.878 14.717) 15.991 9.460 ( -2.470 -9.080 4.075) 10.255 9.659 ( 0.418 0.263 -0.703) 0.859 9.932 ( -3.701 -1.680 -1.525) 4.341 10.014 ( -4.515 1.570 4.540) 6.592 10.206 ( -2.360 7.367 3.857) 8.644 10.457 ( -35.080 1.679 3.097) 35.256 11.180 ( -28.439 0.676 -3.528) 28.665 11.787 ( 33.198 -0.454 0.767) 33.210 12.319 ( 25.445 2.926 -6.315) 26.380 14.342 ( -22.381 -5.122 -6.360) 23.825 14.844 ( -6.397 -0.254 -6.713) 9.276 15.241 ( 10.807 2.444 -7.612) 13.443 15.393 ( 14.159 -1.025 -11.888) 18.516 16.001 ( 5.294 0.570 17.461) 18.255 17.125 ( -0.976 0.102 -4.412) 4.520 18.150 ( -3.059 -3.413 -5.229) 6.953 18.888 ( -5.416 -2.359 -6.896) 9.080======================= Grid point 122 (43/155) =======================q-point: (-0.40 0.10 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( -12.920 9.446 19.186) 24.985 2.064 ( -14.627 19.494 6.629) 25.257 2.704 ( 1.706 -8.081 7.233) 10.979 2.881 ( 5.548 -4.572 2.026) 7.469 2.954 ( -18.224 -5.087 5.997) 19.848 3.072 ( 6.961 -9.936 -0.543) 12.143 3.151 ( 5.661 5.376 -0.628) 7.832 3.521 ( -19.160 2.047 -1.430) 19.322 3.678 ( 4.514 4.291 -2.545) 6.728 3.912 ( -6.420 1.835 -15.957) 17.298 4.255 ( -14.091 -0.676 -2.175) 14.274 4.452 ( -19.930 -1.204 10.623) 22.617 4.639 ( -9.189 10.029 15.675) 20.754 5.385 ( 8.993 -9.030 6.072) 14.117 5.735 ( -0.485 9.467 -3.430) 10.081 5.899 ( 9.904 -11.770 -5.074) 16.198 6.449 ( 8.974 -3.771 0.513) 9.747 6.645 ( 8.282 -4.961 -5.242) 10.986 7.573 ( -5.190 -8.699 7.490) 12.598 8.223 ( 10.695 2.015 0.550) 10.897 8.481 ( -1.544 -2.202 15.292) 15.527 8.491 ( -2.440 2.800 -1.050) 3.860 8.782 ( -1.038 -1.355 2.140) 2.737 8.928 ( 5.321 0.567 -3.075) 6.172 9.157 ( 5.178 0.989 12.712) 13.761 9.488 ( -4.826 -5.494 5.034) 8.877 9.518 ( -16.803 2.236 1.974) 17.066 9.705 ( -16.642 4.432 8.028) 19.001 9.910 ( -4.040 -1.675 -0.665) 4.424 9.995 ( -7.834 -2.889 7.166) 11.004 10.168 ( -2.072 13.202 -1.037) 13.404 10.678 ( -26.473 0.800 -1.625) 26.535 12.307 ( 25.590 0.971 -2.115) 25.696 12.652 ( 15.661 4.547 -5.402) 17.180 13.999 ( -22.491 -8.326 -4.359) 24.376 14.745 ( -1.541 2.918 -7.664) 8.345 15.417 ( 10.594 1.920 -6.055) 12.352 15.669 ( 15.332 -1.101 -9.150) 17.888 16.119 ( 7.559 -0.364 11.759) 13.983 17.095 ( -2.296 0.226 -3.628) 4.300 18.136 ( -3.981 -8.407 -1.637) 9.445 18.808 ( -7.305 -5.237 -4.103) 9.881======================= Grid point 123 (44/155) =======================q-point: (-0.30 0.10 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( -12.048 12.320 22.861) 28.627 1.616 ( -18.480 19.223 9.059) 28.162 2.376 ( -31.534 14.039 10.474) 36.072 2.870 ( -0.164 -10.548 11.309) 15.465 3.014 ( 6.747 -2.245 -1.716) 7.315 3.128 ( -1.775 3.292 -6.116) 7.169 3.257 ( -7.146 1.865 0.510) 7.403 3.347 ( 5.283 -15.015 0.577) 15.928 3.722 ( 0.990 1.788 -0.491) 2.102 3.727 ( -28.719 -0.572 14.480) 32.168 3.806 ( -7.326 2.597 -7.966) 11.130 4.360 ( -1.241 2.084 3.214) 4.026 4.399 ( -7.764 7.634 5.734) 12.306 5.617 ( 8.351 -8.944 3.783) 12.808 5.633 ( -2.205 8.282 -4.711) 9.780 6.191 ( 11.507 -11.763 -7.019) 17.890 6.610 ( 10.586 8.448 -0.829) 13.570 6.870 ( 9.926 -10.771 -7.674) 16.535 7.624 ( -4.538 -25.686 6.432) 26.865 8.320 ( 0.819 4.133 0.346) 4.228 8.444 ( 2.078 4.770 3.445) 6.240 8.473 ( -0.816 -0.598 17.309) 17.339 8.759 ( -3.973 -2.826 -0.197) 4.880 8.838 ( -23.381 1.671 -3.144) 23.651 9.084 ( 2.514 -0.112 -5.489) 6.039 9.353 ( 3.365 -2.186 9.878) 10.661 9.460 ( -8.243 9.542 5.284) 13.672 9.537 ( -0.062 -3.791 8.638) 9.434 9.826 ( -4.576 1.686 2.825) 5.636 9.897 ( -6.796 1.163 0.555) 6.917 10.035 ( -1.330 9.067 2.756) 9.570 10.283 ( -16.903 1.680 2.649) 17.192 12.639 ( 12.443 1.432 -6.209) 13.980 12.827 ( 9.121 1.428 -2.105) 9.469 13.696 ( -20.587 -10.454 2.690) 23.246 14.778 ( 10.808 9.169 -10.841) 17.844 15.571 ( 7.778 0.147 -4.810) 9.147 15.919 ( 11.619 -0.296 -8.734) 14.538 16.257 ( 7.693 -0.199 5.679) 9.564 17.039 ( -3.715 0.294 -2.550) 4.515 18.140 ( -7.181 -15.873 3.703) 17.811 18.717 ( -8.432 -6.618 1.119) 10.777======================= Grid point 124 (45/155) =======================q-point: (-0.20 0.10 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( -20.486 19.390 9.878) 29.887 1.118 ( -14.980 12.364 25.066) 31.711 1.695 ( -21.995 26.369 26.473) 43.359 2.891 ( -8.410 -7.875 3.847) 12.147 3.053 ( -1.308 0.316 0.293) 1.377 3.114 ( -6.547 -5.250 5.522) 10.046 3.178 ( -4.265 -1.363 5.184) 6.850 3.230 ( -6.750 6.305 3.558) 9.898 3.557 ( 3.356 -11.029 -0.222) 11.530 3.752 ( 1.541 0.422 1.603) 2.264 3.768 ( 3.749 2.634 -1.605) 4.854 4.146 ( -9.799 8.753 8.339) 15.562 4.393 ( 1.765 0.436 -2.997) 3.505 5.524 ( -2.375 6.770 -5.980) 9.340 5.819 ( 5.334 -9.089 2.650) 10.866 6.459 ( 7.988 -10.108 -8.810) 15.607 6.669 ( 6.869 14.674 -2.845) 16.450 7.143 ( 8.339 -14.640 -7.947) 18.629 7.823 ( -2.362 -36.470 4.177) 36.784 8.239 ( -1.312 9.103 -3.776) 9.942 8.407 ( -10.416 -0.519 7.209) 12.678 8.430 ( -5.264 3.707 0.536) 6.460 8.468 ( -5.028 0.971 12.647) 13.645 8.755 ( -1.468 -3.451 0.292) 3.762 9.135 ( -0.094 6.707 -2.775) 7.258 9.245 ( -1.367 8.677 -1.945) 8.997 9.431 ( 2.863 -2.732 -2.533) 4.699 9.568 ( 0.412 -1.568 8.613) 8.764 9.723 ( -2.244 11.707 4.888) 12.884 9.803 ( -1.542 -1.615 1.467) 2.672 9.941 ( -4.351 4.351 6.536) 8.977 10.044 ( -9.685 1.775 5.288) 11.176 12.768 ( 4.099 -4.253 -3.069) 6.657 12.948 ( 3.495 0.779 -5.512) 6.573 13.471 ( -14.894 -14.119 19.963) 28.631 14.943 ( 19.312 19.450 -20.570) 34.269 15.683 ( 4.259 -1.473 -4.199) 6.159 16.065 ( 6.020 1.162 -7.208) 9.463 16.359 ( 1.289 -0.474 -4.544) 4.747 16.985 ( -0.590 0.305 1.819) 1.937 18.129 ( -13.914 -27.974 15.463) 34.861 18.631 ( -6.567 -5.941 7.770) 11.781======================= Grid point 125 (46/155) =======================q-point: (-0.10 0.10 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.609 ( 0.000 14.148 18.918) 23.623 0.824 ( 0.000 29.856 16.666) 34.192 1.315 ( 0.000 18.658 48.737) 52.186 2.815 ( -0.000 -3.085 9.249) 9.750 2.972 ( -0.000 -2.560 15.493) 15.703 3.032 ( 0.000 5.593 -8.112) 9.853 3.160 ( 0.000 5.860 -0.974) 5.941 3.278 ( -0.000 -12.656 -0.174) 12.657 3.667 ( -0.000 -8.973 -1.284) 9.064 3.766 ( -0.000 -0.148 3.058) 3.061 3.868 ( 0.000 3.886 5.220) 6.508 3.912 ( 0.000 9.363 4.447) 10.366 4.408 ( 0.000 0.357 -3.064) 3.084 5.455 ( 0.000 4.435 -5.814) 7.312 5.937 ( -0.000 -7.973 1.920) 8.201 6.593 ( 0.000 1.185 -7.919) 8.007 6.626 ( 0.000 5.267 -6.068) 8.035 7.348 ( -0.000 -13.732 -6.426) 15.161 8.083 ( -0.000 -29.883 0.494) 29.887 8.153 ( 0.000 14.699 -8.238) 16.850 8.302 ( 0.000 2.049 -2.380) 3.141 8.317 ( -0.000 -7.773 -0.041) 7.773 8.436 ( 0.000 1.054 22.075) 22.100 8.766 ( -0.000 -2.614 0.361) 2.639 9.020 ( 0.000 8.340 2.790) 8.794 9.231 ( 0.000 6.556 -9.949) 11.914 9.484 ( 0.000 12.677 -4.994) 13.625 9.533 ( 0.000 12.604 -2.572) 12.864 9.635 ( -0.000 -8.792 14.567) 17.014 9.831 ( -0.000 -1.502 3.266) 3.595 9.848 ( 0.000 1.116 3.994) 4.147 9.908 ( 0.000 3.646 9.553) 10.225 12.895 ( -0.000 -8.627 0.674) 8.653 12.931 ( 0.000 0.284 -10.027) 10.031 13.477 ( -0.000 -23.263 36.651) 43.411 14.969 ( 0.000 31.708 -32.128) 45.140 15.737 ( -0.000 -1.958 -4.321) 4.744 16.136 ( 0.000 1.243 -3.300) 3.526 16.301 ( 0.000 0.008 -12.298) 12.298 17.012 ( 0.000 0.057 4.647) 4.647 18.232 ( -0.000 -38.784 25.861) 46.615 18.617 ( -0.000 -9.525 15.226) 17.960======================= Grid point 128 (47/155) =======================q-point: ( 0.20 0.20 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 18.000 0.000 6.031) 18.984 1.883 ( 15.305 0.000 25.745) 29.951 2.703 ( -9.673 -0.000 -2.880) 10.093 2.829 ( -1.978 -0.000 -1.188) 2.307 2.981 ( 1.163 0.000 4.737) 4.878 3.356 ( -9.708 -0.000 -0.772) 9.738 3.369 ( -7.911 -0.000 2.175) 8.205 3.716 ( 27.202 0.000 5.129) 27.682 3.747 ( 2.134 0.000 -7.085) 7.400 4.028 ( 4.580 0.000 -2.516) 5.226 4.326 ( -1.044 -0.000 -15.637) 15.672 4.487 ( 13.306 0.000 4.740) 14.125 4.923 ( 19.803 0.000 14.469) 24.526 5.454 ( -1.631 -0.000 -3.971) 4.293 5.520 ( -10.472 -0.000 13.584) 17.151 5.993 ( -5.504 -0.000 2.758) 6.156 5.998 ( -6.310 -0.000 -4.310) 7.641 6.546 ( -9.092 -0.000 -4.002) 9.934 7.916 ( -7.226 -0.000 3.697) 8.117 8.244 ( -7.975 -0.000 -2.460) 8.346 8.550 ( 2.428 0.000 9.272) 9.585 8.665 ( 6.606 0.000 23.279) 24.198 8.687 ( -8.471 -0.000 -5.851) 10.295 8.950 ( -8.931 -0.000 9.433) 12.990 9.187 ( 4.734 0.000 3.173) 5.698 9.199 ( 3.459 0.000 0.351) 3.477 9.352 ( 0.566 0.000 7.184) 7.207 9.931 ( 2.943 0.000 -5.030) 5.828 10.035 ( 6.389 0.000 -1.144) 6.491 10.161 ( 8.885 0.000 8.431) 12.248 10.429 ( 36.238 0.000 7.031) 36.914 11.179 ( 33.383 0.000 -4.258) 33.653 11.783 ( -32.288 -0.000 -0.811) 32.299 12.182 ( -24.270 -0.000 -3.110) 24.468 14.545 ( 18.913 0.000 -8.773) 20.849 14.801 ( 10.861 0.000 -5.184) 12.035 15.061 ( -19.065 -0.000 -6.469) 20.133 15.464 ( -12.363 -0.000 -10.143) 15.991 16.051 ( -4.718 -0.000 14.426) 15.178 17.121 ( 1.187 0.000 -4.785) 4.930 18.260 ( -4.235 -0.000 -6.664) 7.896 19.045 ( -2.000 -0.000 -7.815) 8.067======================= Grid point 129 (48/155) =======================q-point: ( 0.30 0.20 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( 16.287 -7.049 4.192) 18.235 2.115 ( 9.978 0.223 22.938) 25.015 2.524 ( -10.758 -2.579 1.223) 11.130 2.796 ( -2.542 0.651 -0.468) 2.665 3.024 ( 4.393 0.665 3.717) 5.793 3.166 ( -8.943 3.522 0.211) 9.614 3.209 ( -9.776 -0.250 0.418) 9.788 3.762 ( 2.512 5.218 -5.579) 8.041 4.037 ( 3.603 -0.779 -3.799) 5.293 4.072 ( 3.342 0.454 -2.058) 3.951 4.290 ( -1.432 0.274 -18.191) 18.249 4.726 ( 11.782 -3.363 4.641) 13.102 5.083 ( -1.964 0.236 14.289) 14.426 5.321 ( -9.819 4.309 17.869) 20.840 5.444 ( -0.967 -4.227 -2.754) 5.137 5.935 ( 0.083 2.696 -2.021) 3.370 5.971 ( -0.811 -7.265 2.578) 7.752 6.439 ( -3.645 -1.311 -3.129) 4.980 7.869 ( 3.182 2.608 0.181) 4.118 8.066 ( -8.838 4.697 -1.741) 10.159 8.544 ( -5.545 0.676 -1.191) 5.712 8.575 ( 0.340 1.376 7.503) 7.635 8.755 ( 3.543 3.704 19.053) 19.731 8.844 ( -3.252 -3.685 15.061) 15.843 9.190 ( 3.433 7.948 3.206) 9.232 9.264 ( -2.439 -6.573 6.751) 9.733 9.442 ( 4.543 -8.717 0.682) 9.854 9.948 ( -0.831 -0.700 -3.906) 4.054 10.093 ( 1.721 1.426 -0.192) 2.243 10.290 ( 6.588 2.593 5.510) 8.971 11.113 ( 34.252 0.416 2.251) 34.328 11.157 ( -33.814 -0.438 2.309) 33.896 11.686 ( -12.243 5.390 -3.098) 13.731 11.816 ( 18.277 -6.071 -5.723) 20.092 14.682 ( -20.109 1.551 -6.384) 21.155 14.825 ( 6.797 -2.075 -6.264) 9.474 15.016 ( 12.333 -1.669 -6.288) 13.943 15.305 ( -3.154 0.951 -14.263) 14.639 15.994 ( -0.690 1.124 17.936) 17.985 17.133 ( 0.130 -0.001 -4.839) 4.841 18.184 ( -4.474 -0.096 -6.949) 8.265 18.976 ( -5.241 0.671 -8.140) 9.705======================= Grid point 130 (49/155) =======================q-point: (-0.60 0.20 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.121 ( -4.797 8.813 16.252) 19.100 2.267 ( 11.803 -10.607 1.973) 15.991 2.465 ( -1.168 -11.253 11.030) 15.801 2.679 ( -8.537 3.552 1.338) 9.343 3.005 ( -3.990 4.537 1.370) 6.195 3.060 ( -7.628 -3.169 -2.552) 8.645 3.140 ( 7.836 2.228 3.334) 8.802 3.755 ( 2.070 6.042 -4.743) 7.955 3.930 ( -13.179 1.406 -2.958) 13.580 4.051 ( -3.348 2.748 -14.338) 14.978 4.298 ( 0.081 -0.676 -11.542) 11.562 4.870 ( -21.124 -0.221 15.211) 26.031 4.918 ( 5.110 0.559 9.416) 10.728 5.137 ( -5.116 0.631 15.724) 16.547 5.509 ( 2.870 -8.691 -2.805) 9.573 5.926 ( 1.839 5.819 -1.567) 6.301 6.070 ( 3.140 -11.493 1.310) 11.986 6.442 ( 1.627 -4.025 -2.247) 4.889 7.804 ( -6.810 10.849 2.053) 12.973 8.047 ( 10.330 -0.448 -3.717) 10.987 8.471 ( -2.734 -1.036 4.949) 5.748 8.562 ( -0.336 2.281 4.999) 5.505 8.756 ( 0.794 0.202 8.423) 8.463 8.880 ( 3.212 0.010 14.739) 15.085 9.180 ( 3.637 8.866 9.315) 13.364 9.279 ( -3.709 -11.400 5.766) 13.303 9.588 ( 3.706 -7.719 1.293) 8.659 9.914 ( -3.441 -0.434 -2.985) 4.576 10.074 ( -1.999 4.231 1.890) 5.047 10.287 ( -14.461 2.530 4.445) 15.339 10.496 ( -23.699 2.690 1.557) 23.902 11.191 ( -29.587 0.577 -3.070) 29.751 11.778 ( 34.367 -0.618 0.649) 34.378 12.353 ( 28.722 1.339 -7.124) 29.623 14.275 ( -25.401 -2.988 -5.259) 26.112 14.837 ( -4.914 -0.526 -6.721) 8.342 15.244 ( 11.717 -1.216 -6.717) 13.560 15.400 ( 13.066 1.150 -12.490) 18.112 16.019 ( 4.540 1.313 16.840) 17.491 17.126 ( -0.876 0.067 -4.246) 4.335 18.103 ( -5.853 -2.103 -4.752) 7.827 18.865 ( -7.085 -0.733 -7.017) 9.999======================= Grid point 131 (50/155) =======================q-point: (-0.50 0.20 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( -10.682 10.627 16.301) 22.198 2.291 ( -14.934 7.665 2.911) 17.037 2.539 ( 1.929 -11.355 11.239) 16.092 2.723 ( 8.951 -12.253 3.097) 15.487 2.896 ( -7.765 -0.621 2.447) 8.165 2.999 ( -1.484 -1.091 -0.996) 2.094 3.250 ( 6.879 5.425 0.256) 8.765 3.600 ( -17.376 6.773 -0.453) 18.655 3.751 ( 1.725 4.342 -4.013) 6.159 3.950 ( -5.456 2.754 -16.709) 17.791 4.244 ( -13.598 -0.596 -0.422) 13.618 4.434 ( -19.623 -0.908 10.536) 22.291 4.796 ( -8.977 9.480 17.669) 21.969 5.244 ( 8.242 -8.229 5.513) 12.885 5.691 ( 7.543 -12.973 -4.062) 15.547 5.884 ( -0.349 8.213 -2.956) 8.735 6.258 ( 5.732 -15.128 -0.974) 16.207 6.555 ( 5.799 -6.838 -1.764) 9.137 7.591 ( -8.096 7.734 2.976) 11.585 8.261 ( 12.887 2.275 -2.593) 13.341 8.454 ( -0.527 -0.931 12.855) 12.899 8.533 ( -0.409 2.674 1.216) 2.966 8.774 ( -0.143 -0.268 2.659) 2.676 8.942 ( 4.814 0.748 2.221) 5.354 9.194 ( 3.500 4.008 13.659) 14.659 9.316 ( -3.209 -12.225 8.236) 15.086 9.561 ( -28.430 1.794 1.526) 28.527 9.742 ( -8.398 -2.782 5.981) 10.679 9.852 ( -4.969 -2.374 -2.968) 6.256 10.013 ( -5.100 4.120 5.857) 8.792 10.363 ( -0.416 9.965 -1.974) 10.167 10.679 ( -27.302 -0.611 -1.152) 27.333 12.321 ( 26.969 0.630 -0.656) 26.985 12.731 ( 16.069 4.779 -7.763) 18.475 13.866 ( -25.437 -7.614 -1.916) 26.621 14.782 ( 1.556 1.645 -8.744) 9.033 15.437 ( 9.886 0.496 -6.263) 11.713 15.658 ( 15.436 -0.202 -9.303) 18.024 16.120 ( 7.276 0.384 12.035) 14.069 17.099 ( -2.199 0.202 -3.222) 3.906 18.012 ( -8.571 -6.366 -0.288) 10.681 18.750 ( -7.217 -2.219 -4.411) 8.745======================= Grid point 132 (51/155) =======================q-point: (-0.40 0.20 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( -10.052 12.290 21.116) 26.419 1.872 ( -22.489 11.920 3.975) 25.761 2.626 ( -7.508 7.492 8.538) 13.616 2.687 ( -6.320 -5.105 10.918) 13.609 2.876 ( -6.145 -10.496 -0.105) 12.163 3.105 ( 7.302 -13.527 -0.585) 15.383 3.234 ( -0.360 8.805 -4.502) 9.895 3.372 ( 0.502 8.655 2.232) 8.953 3.720 ( -30.623 -0.176 15.990) 34.547 3.752 ( 0.626 1.730 -2.135) 2.818 3.855 ( -5.285 3.422 -10.811) 12.510 4.365 ( 1.595 0.024 -1.462) 2.163 4.538 ( -11.526 8.570 14.101) 20.127 5.469 ( 8.676 -8.898 4.094) 13.085 5.780 ( -2.795 8.961 -4.894) 10.586 5.967 ( 9.648 -15.266 -6.012) 19.034 6.508 ( 6.911 -18.718 -4.038) 20.357 6.740 ( 8.110 -7.447 -2.054) 11.201 7.409 ( -8.534 0.342 3.688) 9.303 8.404 ( 5.472 5.518 -0.230) 7.775 8.457 ( 0.111 -0.201 17.464) 17.466 8.526 ( 3.583 4.426 -1.876) 5.996 8.741 ( -2.870 0.675 0.756) 3.044 8.872 ( -29.026 2.246 -0.400) 29.116 9.064 ( 4.251 -2.287 -3.377) 5.891 9.302 ( 1.047 -4.877 9.614) 10.831 9.367 ( -1.837 -9.841 10.882) 14.786 9.652 ( -5.360 8.832 3.188) 10.812 9.818 ( -3.617 -3.092 -0.171) 4.762 9.883 ( -6.064 0.751 6.226) 8.724 10.209 ( -9.287 5.295 -1.218) 10.760 10.331 ( -8.366 6.998 1.032) 10.956 12.679 ( 13.309 3.170 -3.814) 14.203 12.861 ( 5.964 2.884 -2.977) 7.263 13.522 ( -22.116 -10.848 4.680) 25.074 14.903 ( 15.729 6.214 -13.430) 21.596 15.580 ( 7.039 0.912 -5.060) 8.717 15.910 ( 12.047 -0.761 -8.596) 14.819 16.253 ( 7.573 -0.201 5.775) 9.526 17.044 ( -3.663 0.290 -2.024) 4.195 17.900 ( -13.234 -12.492 6.848) 19.444 18.652 ( -5.839 -2.231 -0.277) 6.257======================= Grid point 133 (52/155) =======================q-point: (-0.30 0.20 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( -21.293 13.982 12.278) 28.277 1.372 ( -10.771 14.831 21.518) 28.266 2.204 ( -10.857 32.633 12.410) 36.562 2.727 ( -7.640 -11.996 3.163) 14.570 2.837 ( -4.458 -15.912 9.953) 19.291 3.148 ( -19.382 -0.131 21.279) 28.783 3.231 ( 2.671 8.312 -8.285) 12.036 3.344 ( 6.456 -7.021 -2.153) 9.778 3.405 ( 1.910 5.268 -1.462) 5.791 3.754 ( 0.051 -0.161 0.339) 0.379 3.817 ( 4.114 3.267 -3.034) 6.067 4.261 ( -13.016 6.145 11.082) 18.166 4.404 ( 2.377 0.856 -1.298) 2.841 5.651 ( -2.901 8.343 -6.098) 10.733 5.672 ( 5.472 -8.578 2.914) 10.583 6.249 ( 7.164 -15.479 -7.758) 18.738 6.787 ( 7.061 -18.076 -7.049) 20.646 6.916 ( 6.580 0.749 -4.589) 8.057 7.321 ( -8.137 -19.711 6.026) 22.160 8.387 ( -6.290 4.775 2.498) 8.283 8.403 ( -6.430 4.482 0.322) 7.845 8.476 ( -3.440 0.416 13.778) 14.207 8.522 ( -1.143 6.393 -2.062) 6.814 8.724 ( 0.501 -0.371 1.878) 1.979 9.182 ( 5.506 -0.666 -6.130) 8.267 9.354 ( -3.828 -2.639 -1.738) 4.964 9.372 ( -3.090 -3.927 6.621) 8.295 9.471 ( -3.275 0.752 7.521) 8.237 9.774 ( -1.794 -1.833 0.922) 2.725 9.820 ( -1.975 -0.159 2.777) 3.411 10.051 ( -7.047 0.220 7.343) 10.180 10.164 ( -1.003 17.241 0.370) 17.274 12.731 ( -0.273 -0.001 2.215) 2.232 12.963 ( 2.951 0.947 -5.442) 6.263 13.285 ( -12.765 -9.686 17.112) 23.444 15.188 ( 22.506 11.171 -23.807) 34.613 15.670 ( 3.691 0.057 -4.080) 5.502 16.075 ( 6.512 -0.110 -7.464) 9.906 16.350 ( 1.056 -0.586 -4.539) 4.697 16.991 ( -0.707 0.317 2.079) 2.219 17.744 ( -18.061 -18.117 20.466) 32.761 18.587 ( -3.077 -1.212 3.813) 5.048======================= Grid point 134 (53/155) =======================q-point: (-0.20 0.20 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.886 ( 0.000 18.893 12.363) 22.578 1.178 ( 0.000 16.181 28.992) 33.202 1.811 ( 0.000 37.592 19.959) 42.562 2.715 ( -0.000 -9.442 1.354) 9.539 2.941 ( -0.000 -0.897 25.258) 25.274 2.947 ( -0.000 -15.244 14.352) 20.937 3.193 ( 0.000 8.480 -12.725) 15.292 3.358 ( 0.000 10.289 -11.132) 15.159 3.500 ( -0.000 -11.333 -2.278) 11.559 3.759 ( -0.000 -0.731 1.559) 1.722 3.923 ( 0.000 2.982 6.252) 6.926 4.018 ( 0.000 4.863 7.955) 9.324 4.419 ( 0.000 1.006 -1.281) 1.629 5.554 ( 0.000 7.563 -6.487) 9.964 5.796 ( -0.000 -9.020 2.668) 9.406 6.435 ( -0.000 -13.539 -8.873) 16.187 6.866 ( 0.000 16.723 -3.626) 17.112 7.048 ( -0.000 -22.907 -9.808) 24.918 7.493 ( -0.000 -36.117 6.310) 36.664 8.253 ( -0.000 -2.067 2.113) 2.956 8.367 ( 0.000 11.513 -6.624) 13.282 8.397 ( 0.000 7.097 -4.197) 8.245 8.459 ( 0.000 1.615 19.576) 19.642 8.739 ( -0.000 -0.556 1.986) 2.062 9.164 ( 0.000 8.201 2.208) 8.493 9.297 ( 0.000 1.181 -11.006) 11.069 9.460 ( -0.000 -2.888 -5.361) 6.090 9.468 ( -0.000 -11.590 11.013) 15.988 9.791 ( 0.000 3.274 -0.493) 3.311 9.792 ( -0.000 -2.989 2.403) 3.835 9.958 ( 0.000 2.265 11.156) 11.384 9.998 ( 0.000 20.320 2.558) 20.480 12.763 ( -0.000 -6.030 13.148) 14.464 12.937 ( 0.000 0.445 -10.155) 10.164 13.255 ( -0.000 -7.636 25.657) 26.769 15.342 ( 0.000 15.577 -36.845) 40.003 15.708 ( -0.000 -1.203 -3.929) 4.109 16.153 ( 0.000 0.471 -4.152) 4.179 16.301 ( 0.000 0.013 -12.249) 12.249 17.013 ( 0.000 0.092 4.579) 4.580 17.691 ( -0.000 -23.884 38.068) 44.940 18.567 ( -0.000 -0.910 5.894) 5.964======================= Grid point 139 (54/155) =======================q-point: ( 0.30 0.30 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.172 ( 14.323 0.000 2.302) 14.507 2.259 ( 5.420 0.000 22.035) 22.691 2.305 ( -11.432 -0.000 4.524) 12.294 2.703 ( -9.515 -0.000 0.202) 9.517 3.033 ( -4.966 -0.000 -3.494) 6.072 3.053 ( -7.467 -0.000 2.438) 7.855 3.158 ( 8.307 0.000 3.319) 8.945 3.811 ( 0.891 0.000 -6.005) 6.071 3.938 ( -10.714 -0.000 -3.347) 11.225 4.079 ( -3.638 -0.000 -10.592) 11.200 4.292 ( -0.156 -0.000 -11.942) 11.943 4.868 ( -21.580 -0.000 15.348) 26.481 4.911 ( 10.625 0.000 3.139) 11.079 5.159 ( -10.042 -0.000 22.347) 24.500 5.427 ( 1.495 0.000 -3.243) 3.571 5.964 ( 3.234 0.000 0.722) 3.313 5.980 ( 2.493 0.000 -1.097) 2.724 6.404 ( 0.358 0.000 -2.293) 2.321 7.909 ( -10.314 -0.000 -2.297) 10.567 8.037 ( 13.208 0.000 -3.391) 13.637 8.463 ( -2.671 -0.000 4.300) 5.062 8.593 ( 0.204 0.000 9.198) 9.201 8.758 ( -1.591 -0.000 7.517) 7.684 8.879 ( 5.136 0.000 18.105) 18.820 9.165 ( -3.429 -0.000 5.948) 6.866 9.292 ( 1.509 0.000 8.772) 8.901 9.487 ( 5.474 0.000 0.423) 5.491 9.912 ( -2.907 -0.000 -3.524) 4.568 10.113 ( -0.258 -0.000 1.335) 1.360 10.304 ( -21.782 -0.000 4.343) 22.211 10.521 ( -17.499 -0.000 1.132) 17.536 11.196 ( -30.617 -0.000 -2.785) 30.743 11.772 ( 35.048 0.000 0.462) 35.051 12.364 ( 30.364 0.000 -7.385) 31.249 14.250 ( -26.738 -0.000 -4.771) 27.160 14.832 ( -4.328 -0.000 -6.700) 7.976 15.230 ( 12.444 0.000 -6.545) 14.060 15.411 ( 12.455 0.000 -12.330) 17.526 16.032 ( 4.133 0.000 16.341) 16.856 17.127 ( -0.835 -0.000 -4.179) 4.261 18.086 ( -6.853 -0.000 -4.596) 8.252 18.859 ( -7.677 -0.000 -7.099) 10.456======================= Grid point 140 (55/155) =======================q-point: (-0.60 0.30 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( -10.137 8.738 10.398) 16.947 2.332 ( -6.057 -0.725 3.177) 6.878 2.365 ( -0.877 -8.679 16.780) 18.912 2.583 ( 5.064 -4.052 0.134) 6.487 2.904 ( -9.063 0.670 1.998) 9.305 2.990 ( -1.487 -0.223 -1.543) 2.154 3.312 ( 8.527 1.978 1.630) 8.904 3.695 ( -13.456 3.640 -0.554) 13.951 3.804 ( -0.523 1.837 -5.030) 5.380 3.991 ( -5.315 1.825 -15.896) 16.860 4.237 ( -12.728 -0.247 0.649) 12.747 4.424 ( -19.720 -0.282 10.272) 22.237 4.944 ( -8.778 7.900 19.637) 22.914 5.123 ( 8.037 -6.368 5.049) 11.429 5.513 ( 5.173 -7.129 -4.010) 9.678 5.990 ( 0.471 4.335 -2.435) 4.994 6.064 ( 3.929 -7.159 -1.025) 8.231 6.455 ( 3.514 -4.116 -1.060) 5.515 7.713 ( -9.261 4.945 -2.024) 10.692 8.287 ( 13.884 0.806 -4.734) 14.691 8.450 ( 1.230 0.216 11.700) 11.766 8.583 ( 0.373 2.910 6.889) 7.487 8.762 ( 1.126 -1.035 1.764) 2.335 8.950 ( 3.357 0.514 8.764) 9.399 9.134 ( -3.717 -7.387 5.995) 10.214 9.286 ( 1.005 4.703 13.144) 13.996 9.580 ( -16.523 0.841 2.052) 16.671 9.643 ( -20.758 -5.928 4.253) 22.003 9.848 ( -4.144 0.265 -3.059) 5.157 10.079 ( -2.631 2.757 3.960) 5.496 10.474 ( -0.229 3.531 -2.239) 4.188 10.665 ( -28.439 -0.705 -0.435) 28.451 12.327 ( 27.931 0.199 0.182) 27.933 12.792 ( 17.757 2.215 -9.780) 20.393 13.773 ( -28.352 -3.266 0.021) 28.540 14.799 ( 3.375 0.517 -9.149) 9.765 15.438 ( 10.726 -0.153 -6.365) 12.474 15.659 ( 14.731 0.147 -9.231) 17.385 16.127 ( 6.595 0.307 11.850) 13.565 17.101 ( -2.135 0.082 -2.948) 3.641 17.941 ( -10.723 -2.241 0.236) 10.958 18.728 ( -7.073 -0.571 -4.634) 8.475======================= Grid point 141 (56/155) =======================q-point: (-0.50 0.30 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( -8.573 11.532 15.488) 21.127 2.019 ( -20.323 6.511 3.224) 21.583 2.454 ( -0.277 -12.140 15.983) 20.073 2.719 ( -14.092 -6.904 0.952) 15.721 2.788 ( 4.455 -1.434 0.812) 4.750 2.972 ( 2.692 -0.810 -0.360) 2.834 3.374 ( 1.769 6.623 -0.729) 6.894 3.507 ( -1.668 7.782 4.775) 9.282 3.721 ( -28.388 0.276 14.732) 31.985 3.773 ( -1.621 0.803 -3.701) 4.120 3.912 ( -4.592 3.218 -11.991) 13.238 4.366 ( 2.640 0.086 -1.097) 2.860 4.678 ( -13.270 8.418 17.000) 23.151 5.335 ( 9.080 -7.265 3.510) 12.147 5.714 ( 7.543 -13.449 -5.480) 16.365 5.923 ( -2.242 7.399 -4.609) 9.000 6.210 ( 2.363 -14.984 -3.429) 15.552 6.587 ( 5.144 -9.199 0.783) 10.569 7.513 ( -7.513 8.009 -1.925) 11.149 8.434 ( 2.897 -0.381 11.660) 12.021 8.518 ( 7.181 5.885 2.924) 9.734 8.588 ( 4.531 3.204 0.168) 5.552 8.769 ( -1.259 2.123 0.225) 2.479 8.901 ( -33.798 1.099 1.877) 33.868 9.018 ( 3.957 -2.931 -0.745) 4.980 9.145 ( -3.479 -10.750 6.975) 13.279 9.299 ( -0.233 -0.956 12.671) 12.709 9.712 ( 1.409 -2.055 3.119) 3.992 9.775 ( -3.076 -0.015 -2.473) 3.947 9.954 ( -8.901 6.980 6.757) 13.176 10.197 ( -19.090 -3.892 1.052) 19.511 10.470 ( 0.258 7.049 -1.881) 7.300 12.727 ( 17.447 2.285 -0.423) 17.601 12.925 ( 2.126 4.836 -6.837) 8.640 13.354 ( -23.696 -9.388 6.484) 26.300 14.978 ( 18.054 3.025 -14.168) 23.149 15.597 ( 7.551 0.971 -5.672) 9.494 15.897 ( 11.477 -0.755 -8.291) 14.178 16.251 ( 7.224 -0.119 5.869) 9.309 17.048 ( -3.666 0.178 -1.585) 3.998 17.750 ( -14.728 -6.025 7.487) 17.586 18.630 ( -4.722 -0.750 -0.911) 4.867======================= Grid point 142 (57/155) =======================q-point: (-0.40 0.30 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( -15.493 14.592 9.610) 23.352 1.601 ( -9.689 13.455 17.279) 23.948 2.516 ( -8.731 -13.434 3.844) 16.477 2.585 ( -4.598 -14.382 10.729) 18.523 2.656 ( -4.322 20.628 5.659) 21.823 3.127 ( -8.273 -3.693 10.762) 14.068 3.187 ( -6.042 -5.994 13.378) 15.856 3.381 ( 3.332 9.473 -6.913) 12.191 3.555 ( 4.498 8.933 -1.267) 10.081 3.747 ( -1.118 -0.717 -1.139) 1.750 3.871 ( 3.392 3.208 -4.876) 6.751 4.361 ( -15.455 6.311 11.905) 20.504 4.420 ( 3.082 1.078 1.248) 3.496 5.535 ( 6.157 -7.625 2.987) 10.246 5.795 ( -2.851 8.549 -6.815) 11.299 5.980 ( 6.337 -16.441 -6.594) 18.814 6.392 ( 0.718 -23.742 -6.937) 24.745 6.777 ( 5.339 -14.762 3.432) 16.069 7.319 ( -5.991 10.645 -2.696) 12.509 8.392 ( -17.895 0.122 4.874) 18.547 8.475 ( -0.957 -0.168 15.297) 15.328 8.548 ( 4.252 8.705 -2.083) 9.909 8.632 ( 1.231 6.655 -4.541) 8.150 8.744 ( 1.333 2.937 3.356) 4.655 9.132 ( 4.716 -5.022 -4.769) 8.379 9.186 ( -2.408 -12.279 6.930) 14.304 9.297 ( -3.312 -4.959 2.603) 6.507 9.591 ( -9.208 8.428 3.596) 12.990 9.748 ( -2.938 -1.303 0.092) 3.215 9.800 ( -1.046 -1.589 2.591) 3.215 10.035 ( -5.798 -1.859 8.452) 10.416 10.408 ( 1.117 11.828 -1.124) 11.934 12.764 ( -4.955 3.734 6.984) 9.342 12.977 ( 2.251 0.711 -5.469) 5.956 13.140 ( -7.269 -8.399 11.147) 15.737 15.320 ( 22.248 5.510 -23.189) 32.604 15.685 ( 3.773 1.619 -4.670) 6.218 16.061 ( 6.449 -1.376 -6.972) 9.596 16.342 ( 0.960 -0.468 -4.487) 4.612 16.995 ( -0.822 0.207 2.337) 2.486 17.533 ( -15.983 -8.633 18.487) 25.918 18.574 ( -2.186 -0.435 2.731) 3.525======================= Grid point 143 (58/155) =======================q-point: (-0.30 0.30 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.200 ( 0.000 19.539 8.462) 21.293 1.424 ( 0.000 14.761 25.880) 29.793 2.391 ( 0.000 31.469 8.666) 32.640 2.522 ( -0.000 -13.848 0.090) 13.848 2.694 ( -0.000 -15.462 13.750) 20.691 2.938 ( 0.000 0.252 28.688) 28.689 3.316 ( -0.000 -10.830 -2.610) 11.140 3.340 ( 0.000 9.069 -10.219) 13.663 3.526 ( 0.000 10.108 -7.950) 12.860 3.744 ( -0.000 -0.935 -0.184) 0.953 3.965 ( 0.000 2.223 6.755) 7.111 4.095 ( 0.000 5.106 8.317) 9.760 4.439 ( 0.000 1.395 0.848) 1.632 5.655 ( -0.000 -8.122 2.855) 8.609 5.692 ( 0.000 9.138 -7.280) 11.684 6.180 ( -0.000 -17.184 -7.521) 18.758 6.617 ( -0.000 -28.674 -10.090) 30.398 7.002 ( -0.000 -23.973 7.255) 25.046 7.137 ( 0.000 16.098 -4.321) 16.668 8.227 ( -0.000 -1.204 2.276) 2.575 8.472 ( 0.000 1.216 18.043) 18.084 8.536 ( 0.000 9.494 -4.077) 10.332 8.539 ( 0.000 8.952 -3.750) 9.705 8.750 ( 0.000 1.929 3.570) 4.058 9.223 ( -0.000 -2.287 -3.212) 3.943 9.263 ( -0.000 -10.601 1.618) 10.724 9.280 ( -0.000 -5.700 0.770) 5.752 9.457 ( 0.000 3.645 1.170) 3.828 9.743 ( -0.000 -2.810 0.005) 2.810 9.803 ( -0.000 -0.209 1.218) 1.236 9.981 ( 0.000 0.610 11.884) 11.899 10.307 ( 0.000 16.020 0.081) 16.020 12.706 ( -0.000 -1.561 18.679) 18.744 12.944 ( 0.000 0.427 -10.325) 10.334 13.164 ( -0.000 -4.333 14.099) 14.750 15.517 ( 0.000 6.985 -32.704) 33.441 15.706 ( 0.000 1.002 -4.105) 4.226 16.147 ( -0.000 -1.150 -4.258) 4.411 16.301 ( 0.000 0.013 -12.188) 12.188 17.015 ( 0.000 0.093 4.494) 4.495 17.424 ( -0.000 -10.648 30.474) 32.281 18.558 ( -0.000 -0.310 4.412) 4.422======================= Grid point 150 (59/155) =======================q-point: (-0.60 0.40 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( -8.460 -0.000 10.684) 13.628 2.075 ( -17.432 -0.000 2.963) 17.682 2.331 ( -0.126 -0.000 19.821) 19.821 2.656 ( -18.765 -0.000 0.937) 18.789 2.750 ( 11.186 0.000 -0.601) 11.202 2.986 ( 0.977 0.000 -0.480) 1.088 3.425 ( 1.746 0.000 2.705) 3.220 3.582 ( -2.482 -0.000 4.421) 5.070 3.724 ( -26.569 -0.000 13.661) 29.875 3.779 ( -2.810 -0.000 -4.485) 5.293 3.942 ( -4.426 -0.000 -12.303) 13.075 4.367 ( 3.062 0.000 -0.907) 3.194 4.764 ( -14.593 -0.000 19.128) 24.059 5.264 ( 9.757 0.000 2.265) 10.017 5.590 ( 7.143 0.000 -5.382) 8.944 6.003 ( -1.594 -0.000 -3.454) 3.804 6.072 ( 0.596 0.000 -4.306) 4.347 6.502 ( 3.794 0.000 1.301) 4.011 7.586 ( -7.165 -0.000 -4.199) 8.305 8.430 ( 2.990 0.000 11.598) 11.977 8.576 ( 10.771 0.000 -1.235) 10.842 8.622 ( 2.714 0.000 7.133) 7.632 8.787 ( 1.878 0.000 -2.304) 2.972 8.906 ( -34.996 -0.000 2.991) 35.124 8.995 ( 0.799 0.000 1.682) 1.862 9.040 ( -3.363 -0.000 5.553) 6.492 9.295 ( -2.646 -0.000 12.116) 12.401 9.681 ( 4.884 0.000 3.203) 5.841 9.780 ( -3.502 -0.000 -2.715) 4.431 10.042 ( -3.033 -0.000 6.611) 7.274 10.137 ( -26.532 -0.000 0.959) 26.550 10.529 ( 1.025 0.000 -2.254) 2.476 12.746 ( 19.339 0.000 1.170) 19.375 12.981 ( 3.263 0.000 -11.143) 11.611 13.261 ( -26.991 -0.000 9.497) 28.613 15.002 ( 18.727 0.000 -14.272) 23.545 15.605 ( 8.104 0.000 -6.000) 10.083 15.890 ( 10.961 0.000 -8.114) 13.638 16.250 ( 7.032 0.000 5.907) 9.184 17.050 ( -3.678 -0.000 -1.414) 3.941 17.702 ( -14.908 -0.000 7.517) 16.696 18.624 ( -4.442 -0.000 -1.084) 4.573======================= Grid point 152 (60/155) =======================q-point: (-0.50 0.40 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( -11.128 8.799 7.333) 15.970 1.786 ( -7.449 7.738 12.434) 16.431 2.324 ( -11.206 -8.428 4.795) 14.819 2.386 ( -5.470 -8.198 13.807) 16.963 2.858 ( 1.412 4.767 1.713) 5.258 3.056 ( 6.038 -2.233 -2.451) 6.888 3.157 ( -21.395 -0.325 28.027) 35.261 3.504 ( 1.812 4.374 -4.949) 6.849 3.674 ( 5.824 5.227 0.649) 7.853 3.731 ( -1.491 -1.334 -2.314) 3.059 3.913 ( 2.297 1.610 -6.383) 6.972 4.427 ( 0.499 0.731 -0.942) 1.293 4.462 ( -14.223 3.976 16.358) 22.038 5.437 ( 7.187 -3.824 1.996) 8.382 5.751 ( 6.625 -8.040 -6.173) 12.109 5.935 ( -2.472 6.383 -6.067) 9.147 6.101 ( -2.030 -11.179 -6.248) 12.966 6.586 ( 2.461 -7.064 3.727) 8.358 7.466 ( -4.051 5.411 -5.508) 8.719 8.396 ( -20.371 0.163 2.395) 20.512 8.471 ( 1.369 -0.208 17.690) 17.744 8.670 ( 4.859 5.650 2.919) 8.003 8.717 ( 4.945 3.053 -6.127) 8.445 8.804 ( 1.438 3.147 0.518) 3.498 9.016 ( -2.034 -6.716 4.867) 8.540 9.044 ( 2.246 -4.830 -2.196) 5.762 9.230 ( -5.179 -2.623 4.926) 7.614 9.697 ( -6.731 3.747 0.156) 7.705 9.736 ( -9.525 0.211 1.672) 9.672 9.775 ( 0.065 -1.339 1.802) 2.245 10.003 ( -2.631 -1.458 9.932) 10.377 10.537 ( 1.473 4.016 -1.476) 4.525 12.837 ( -13.115 4.395 15.356) 20.667 12.982 ( -0.967 -0.452 -7.648) 7.722 13.021 ( 4.356 -5.110 3.825) 7.728 15.377 ( 21.636 1.652 -22.344) 31.147 15.711 ( 4.227 1.123 -5.502) 7.028 16.039 ( 6.068 -0.961 -6.168) 8.706 16.336 ( 0.968 -0.176 -4.428) 4.536 16.997 ( -0.892 0.068 2.496) 2.651 17.445 ( -14.462 -2.511 16.930) 22.407 18.570 ( -1.897 -0.117 2.352) 3.024======================= Grid point 153 (61/155) =======================q-point: (-0.40 0.40 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 0.000 16.943 6.422) 18.119 1.651 ( 0.000 12.477 18.869) 22.621 2.286 ( -0.000 -14.356 0.390) 14.361 2.457 ( -0.000 -12.757 15.997) 20.461 2.776 ( 0.000 15.095 3.810) 15.568 2.944 ( 0.000 0.456 30.365) 30.368 3.168 ( -0.000 -6.835 -3.019) 7.472 3.476 ( 0.000 6.956 -7.130) 9.961 3.662 ( 0.000 5.113 -5.608) 7.589 3.743 ( 0.000 1.940 -2.637) 3.274 3.994 ( 0.000 1.250 7.064) 7.174 4.186 ( 0.000 5.749 8.162) 9.983 4.460 ( 0.000 1.087 2.554) 2.776 5.542 ( -0.000 -5.488 2.212) 5.917 5.840 ( 0.000 8.741 -7.861) 11.756 5.914 ( -0.000 -14.017 -6.084) 15.281 6.205 ( -0.000 -19.962 -7.514) 21.330 6.696 ( -0.000 -13.940 5.000) 14.810 7.362 ( 0.000 10.671 -5.755) 12.124 8.213 ( -0.000 -0.533 1.990) 2.061 8.484 ( 0.000 0.434 19.376) 19.381 8.672 ( 0.000 7.247 -1.287) 7.361 8.689 ( 0.000 8.860 -5.870) 10.628 8.801 ( 0.000 3.857 3.569) 5.255 9.068 ( -0.000 -10.804 6.016) 12.366 9.132 ( -0.000 -7.118 -4.997) 8.697 9.200 ( -0.000 -5.237 -0.706) 5.284 9.535 ( 0.000 4.415 4.345) 6.195 9.707 ( -0.000 -1.584 -2.256) 2.757 9.796 ( -0.000 -0.560 1.256) 1.375 9.983 ( -0.000 -0.117 12.210) 12.211 10.503 ( 0.000 8.127 -0.494) 8.142 12.696 ( 0.000 0.047 22.997) 22.997 12.950 ( 0.000 0.254 -10.473) 10.476 13.108 ( -0.000 -2.483 5.817) 6.325 15.590 ( 0.000 2.602 -29.288) 29.403 15.734 ( 0.000 1.997 -4.880) 5.273 16.121 ( -0.000 -1.751 -3.451) 3.870 16.301 ( 0.000 0.008 -12.139) 12.139 17.016 ( 0.000 0.058 4.426) 4.426 17.310 ( -0.000 -4.129 25.361) 25.695 18.555 ( -0.000 -0.114 3.866) 3.868======================= Grid point 163 (62/155) =======================q-point: ( 0.50 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( 0.000 0.000 6.121) 6.121 1.772 ( 0.000 0.000 14.182) 14.182 2.133 ( 0.000 0.000 0.201) 0.201 2.334 ( -0.000 -0.000 19.114) 19.114 2.893 ( 0.000 0.000 1.991) 1.991 2.949 ( 0.000 0.000 31.515) 31.515 3.110 ( 0.000 0.000 -3.734) 3.734 3.536 ( 0.000 0.000 -5.259) 5.259 3.687 ( 0.000 0.000 -3.420) 3.420 3.782 ( 0.000 0.000 -5.873) 5.873 4.004 ( 0.000 0.000 7.200) 7.200 4.244 ( 0.000 0.000 8.313) 8.313 4.470 ( 0.000 0.000 3.413) 3.413 5.493 ( 0.000 0.000 1.466) 1.466 5.789 ( 0.000 0.000 -5.220) 5.220 5.948 ( 0.000 0.000 -5.749) 5.749 6.010 ( 0.000 0.000 -9.581) 9.581 6.575 ( 0.000 0.000 4.841) 4.841 7.453 ( 0.000 0.000 -6.648) 6.648 8.209 ( 0.000 0.000 1.820) 1.820 8.488 ( -0.000 -0.000 19.582) 19.582 8.751 ( 0.000 0.000 4.418) 4.418 8.780 ( 0.000 0.000 -6.938) 6.938 8.833 ( -0.000 -0.000 -1.434) 1.434 8.967 ( -0.000 -0.000 5.057) 5.057 9.054 ( 0.000 0.000 -4.325) 4.325 9.145 ( 0.000 0.000 1.914) 1.914 9.574 ( 0.000 0.000 4.941) 4.941 9.694 ( -0.000 -0.000 -3.121) 3.121 9.790 ( 0.000 0.000 1.096) 1.096 9.982 ( -0.000 -0.000 12.306) 12.306 10.569 ( 0.000 0.000 -0.627) 0.627 12.698 ( 0.000 0.000 25.153) 25.153 12.952 ( 0.000 0.000 -10.532) 10.532 13.087 ( -0.000 -0.000 2.349) 2.349 15.610 ( 0.000 0.000 -28.065) 28.065 15.754 ( 0.000 0.000 -5.526) 5.526 16.104 ( 0.000 0.000 -2.772) 2.772 16.301 ( 0.000 0.000 -12.120) 12.120 17.017 ( 0.000 0.000 4.399) 4.399 17.278 ( 0.000 0.000 23.745) 23.745 18.554 ( 0.000 0.000 3.707) 3.707======================= Grid point 210 (63/155) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( 0.000 0.000 21.885) 21.885 0.945 ( 0.000 0.000 23.044) 23.044 2.287 ( 0.000 0.000 52.998) 52.998 2.710 ( 0.000 0.000 -16.078) 16.078 2.863 ( 0.000 0.000 -3.484) 3.484 2.978 ( 0.000 0.000 -4.562) 4.562 3.408 ( 0.000 0.000 11.830) 11.830 3.739 ( 0.000 0.000 -0.297) 0.297 3.753 ( 0.000 0.000 12.873) 12.873 3.816 ( 0.000 0.000 17.225) 17.225 3.856 ( 0.000 0.000 3.854) 3.854 3.996 ( 0.000 0.000 12.328) 12.328 4.329 ( 0.000 0.000 -3.454) 3.454 5.275 ( 0.000 0.000 -8.784) 8.784 6.043 ( 0.000 0.000 0.582) 0.582 6.351 ( 0.000 0.000 -7.582) 7.582 6.421 ( 0.000 0.000 -14.109) 14.109 7.339 ( 0.000 0.000 -7.277) 7.277 7.988 ( 0.000 0.000 0.968) 0.968 8.085 ( 0.000 0.000 -9.143) 9.143 8.278 ( 0.000 0.000 0.865) 0.865 8.635 ( 0.000 0.000 2.396) 2.396 8.774 ( 0.000 0.000 -0.134) 0.134 8.920 ( 0.000 0.000 0.087) 0.087 9.054 ( 0.000 0.000 37.412) 37.412 9.074 ( 0.000 0.000 -5.650) 5.650 9.217 ( 0.000 0.000 -1.777) 1.777 9.366 ( 0.000 0.000 -6.510) 6.510 9.815 ( 0.000 0.000 -0.459) 0.459 9.928 ( 0.000 0.000 5.057) 5.057 10.064 ( 0.000 0.000 10.279) 10.279 10.236 ( 0.000 0.000 29.653) 29.653 12.638 ( 0.000 0.000 -19.829) 19.829 12.792 ( 0.000 0.000 -12.737) 12.737 14.106 ( 0.000 0.000 13.490) 13.490 14.568 ( 0.000 0.000 6.522) 6.522 15.624 ( 0.000 0.000 -8.688) 8.688 16.016 ( 0.000 0.000 -15.718) 15.718 16.042 ( 0.000 0.000 -5.747) 5.747 17.097 ( 0.000 0.000 3.726) 3.726 18.432 ( 0.000 0.000 -2.603) 2.603 19.052 ( 0.000 0.000 4.906) 4.906======================= Grid point 211 (64/155) =======================q-point: ( 0.10 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( 9.206 -13.897 18.681) 25.037 1.332 ( 32.919 -3.690 16.527) 37.019 2.344 ( 7.481 -1.675 46.543) 47.170 2.726 ( -0.371 -4.595 -15.117) 15.804 2.976 ( -0.542 -2.290 -4.360) 4.955 2.988 ( 11.923 2.126 -1.720) 12.232 3.460 ( 2.314 4.822 3.220) 6.243 3.632 ( 3.335 9.389 4.968) 11.134 3.758 ( -6.634 -3.114 8.145) 10.957 3.807 ( -4.286 1.115 2.886) 5.286 3.880 ( 9.865 2.944 24.493) 26.569 4.125 ( 8.659 -9.663 10.099) 16.442 4.318 ( -1.098 -1.210 -1.882) 2.492 5.298 ( 1.618 -2.438 -8.897) 9.366 5.988 ( -3.405 5.431 1.313) 6.544 6.336 ( -6.242 1.919 -12.173) 13.814 6.367 ( -4.120 -7.517 -7.450) 11.357 7.163 ( -13.517 5.906 -7.150) 16.392 8.127 ( 10.932 -2.028 1.034) 11.167 8.207 ( 10.237 2.110 -10.335) 14.699 8.402 ( 11.387 4.478 0.924) 12.270 8.468 ( -1.255 14.723 -0.586) 14.788 8.824 ( 3.998 4.956 0.760) 6.413 8.968 ( -3.985 -7.979 -0.807) 8.955 9.049 ( 3.093 1.434 28.840) 29.040 9.114 ( 5.036 -7.388 9.038) 12.713 9.290 ( 1.499 -9.037 -5.857) 10.873 9.424 ( 4.334 -4.849 1.179) 6.610 9.855 ( 3.085 0.618 0.589) 3.201 10.010 ( 9.246 2.874 2.448) 9.987 10.047 ( 1.217 2.906 7.738) 8.355 10.255 ( 0.734 -2.922 26.714) 26.883 12.582 ( -6.371 -0.014 -18.055) 19.146 12.769 ( -2.804 -0.379 -12.291) 12.612 13.992 ( -7.167 3.903 15.096) 17.161 14.575 ( -2.213 -4.418 3.581) 6.103 15.574 ( -5.465 0.337 -8.694) 10.274 15.869 ( -8.049 -0.109 -12.068) 14.507 16.210 ( 8.311 0.262 -8.612) 11.971 17.049 ( -3.648 -0.118 3.686) 5.187 18.391 ( -2.861 3.469 -3.093) 5.457 18.998 ( -1.671 7.886 4.513) 9.239======================= Grid point 212 (65/155) =======================q-point: ( 0.20 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.372 ( 13.047 -19.177 13.977) 27.080 1.883 ( 23.399 -2.410 19.284) 30.417 2.635 ( 22.981 -2.656 28.252) 36.516 2.768 ( -0.709 -8.205 -11.896) 14.468 2.959 ( -3.423 -3.981 -3.482) 6.300 3.173 ( 9.434 5.478 3.756) 11.538 3.390 ( 0.200 9.605 0.465) 9.619 3.616 ( -6.488 -2.138 -0.414) 6.844 3.670 ( 5.467 15.212 4.709) 16.836 3.713 ( -5.088 0.736 -0.491) 5.165 4.078 ( 5.954 -0.482 7.124) 9.298 4.393 ( 14.015 -9.134 13.459) 21.471 4.414 ( 13.622 -5.348 13.640) 20.005 5.372 ( 2.610 -6.260 -8.319) 10.734 5.852 ( -5.230 8.525 3.670) 10.654 6.144 ( -10.282 5.474 -11.200) 16.159 6.371 ( -5.588 -12.207 -3.242) 13.811 6.863 ( -13.946 5.879 -6.944) 16.651 8.179 ( 1.071 25.841 1.717) 25.921 8.306 ( 1.868 0.423 -2.082) 2.829 8.344 ( 3.800 -0.778 -3.650) 5.326 8.719 ( 14.104 -2.797 -0.080) 14.379 8.846 ( 1.693 1.124 -2.028) 2.871 8.920 ( -0.626 3.427 -3.418) 4.880 9.107 ( 5.916 2.006 36.363) 36.896 9.362 ( 11.806 -11.972 2.641) 17.020 9.435 ( 4.175 -13.605 -0.652) 14.246 9.571 ( 8.350 -3.777 10.033) 13.588 9.890 ( 2.650 1.307 2.755) 4.040 10.028 ( 2.688 4.664 5.314) 7.564 10.198 ( 9.630 2.872 8.927) 13.441 10.325 ( 6.660 -3.348 12.065) 14.182 12.421 ( -12.495 -1.188 -14.665) 19.302 12.685 ( -7.982 -1.010 -10.347) 13.107 13.908 ( 2.420 3.458 8.406) 9.406 14.561 ( -1.900 -2.605 -0.281) 3.237 15.433 ( -10.332 -0.192 -9.134) 13.791 15.710 ( -10.953 0.307 -13.506) 17.391 16.291 ( 1.828 0.074 -0.928) 2.051 17.024 ( 0.563 -0.387 1.113) 1.306 18.285 ( -4.977 4.791 -4.627) 8.314 18.894 ( -2.038 8.662 -0.039) 8.899======================= Grid point 213 (66/155) =======================q-point: ( 0.30 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( 13.380 -19.385 11.134) 26.053 2.219 ( 14.862 -2.795 23.192) 27.687 2.812 ( -2.534 -9.931 -5.533) 11.647 2.861 ( -3.457 0.290 -0.071) 3.470 3.068 ( 7.984 -0.937 11.776) 14.258 3.266 ( 8.069 10.521 6.407) 14.726 3.326 ( 7.245 9.508 -0.297) 11.957 3.508 ( -4.649 0.455 0.043) 4.671 3.614 ( -5.322 1.284 -2.382) 5.971 3.699 ( 8.923 8.725 -4.578) 13.293 4.080 ( -2.673 -0.870 -10.437) 10.809 4.709 ( 10.624 -15.608 12.323) 22.547 4.849 ( 27.696 0.931 24.016) 36.670 5.481 ( 2.228 -9.213 -5.755) 11.089 5.677 ( -5.924 9.586 6.043) 12.787 5.923 ( -8.239 7.213 -7.272) 13.146 6.365 ( -5.889 -11.245 -0.164) 12.695 6.606 ( -10.219 4.187 -5.845) 12.495 7.999 ( -0.104 18.883 6.579) 19.997 8.183 ( -9.860 2.010 -6.277) 11.860 8.463 ( 6.075 0.871 1.690) 6.365 8.741 ( -7.191 0.467 0.856) 7.257 8.874 ( 3.232 4.083 -0.669) 5.250 8.949 ( 3.764 3.706 1.411) 5.467 9.313 ( 11.694 -5.946 24.490) 27.783 9.555 ( -1.514 -9.722 6.818) 11.971 9.610 ( 4.850 -7.814 5.744) 10.843 9.829 ( 15.801 -1.228 13.289) 20.683 9.990 ( 8.518 -4.147 1.778) 9.639 10.076 ( 10.339 4.457 7.007) 13.261 10.273 ( 4.242 3.197 16.303) 17.147 10.606 ( 21.776 -1.745 -3.310) 22.095 12.154 ( -19.775 -1.806 -11.011) 22.706 12.488 ( -16.050 -1.586 -7.209) 17.666 14.020 ( 13.060 4.124 -1.805) 13.814 14.578 ( 2.697 -1.098 -5.078) 5.854 15.223 ( -14.344 -1.795 -10.318) 17.760 15.471 ( -15.055 1.280 -13.877) 20.515 16.312 ( 1.212 0.000 7.532) 7.629 17.044 ( 0.541 -0.459 -0.446) 0.838 18.155 ( -5.291 4.184 -7.060) 9.765 18.801 ( -1.332 6.567 -7.366) 9.958======================= Grid point 214 (67/155) =======================q-point: ( 0.40 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.139 ( 12.465 -16.071 10.209) 22.757 2.477 ( 10.398 -3.630 20.709) 23.456 2.745 ( -6.046 1.549 3.254) 7.039 2.844 ( -2.505 -6.107 -0.114) 6.601 3.063 ( -5.183 5.912 2.264) 8.182 3.160 ( 0.484 7.419 8.274) 11.123 3.344 ( -2.093 6.589 3.019) 7.544 3.493 ( -3.206 3.499 -3.167) 5.705 3.650 ( 9.092 0.917 -11.333) 14.558 3.830 ( 10.569 0.899 -6.774) 12.585 4.040 ( -2.666 -0.958 -13.246) 13.545 5.004 ( 8.569 -14.275 13.675) 21.545 5.246 ( 16.059 0.798 17.931) 24.085 5.483 ( -4.370 9.729 7.799) 13.213 5.609 ( 0.403 -9.376 0.252) 9.388 5.763 ( -1.861 8.294 -2.432) 8.841 6.352 ( -3.787 -6.843 1.930) 8.055 6.445 ( -5.100 2.276 -4.255) 7.021 7.869 ( -3.187 6.645 6.467) 9.805 8.001 ( -5.751 4.954 -2.887) 8.122 8.532 ( 1.903 -0.556 0.667) 2.092 8.605 ( -5.151 2.762 0.037) 5.845 8.890 ( 2.001 3.177 0.196) 3.760 8.971 ( 1.735 2.110 3.700) 4.599 9.463 ( 1.846 -4.065 20.844) 21.317 9.572 ( -2.618 -2.890 7.389) 8.354 9.728 ( 3.173 -7.094 16.352) 18.105 9.946 ( 2.017 2.270 6.562) 7.231 10.141 ( 2.663 -7.328 4.539) 9.022 10.272 ( 4.900 4.868 13.714) 15.355 10.556 ( 33.612 0.152 6.469) 34.229 11.073 ( 28.702 -0.495 -5.947) 29.315 11.754 ( -26.320 -0.356 -5.309) 26.853 12.144 ( -24.588 -2.061 -6.372) 25.484 14.268 ( 18.093 4.410 -8.053) 20.289 14.676 ( 6.828 -0.341 -9.779) 11.932 14.973 ( -15.818 -4.325 -11.952) 20.292 15.186 ( -15.056 2.289 -14.167) 20.800 16.336 ( 1.339 0.170 16.051) 16.107 17.042 ( -0.912 -0.261 -2.533) 2.704 18.050 ( -3.254 2.275 -9.533) 10.327 18.744 ( -0.451 3.579 -12.936) 13.429======================= Grid point 215 (68/155) =======================q-point: (-0.50 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.439 ( 0.000 -0.000 17.699) 17.699 2.454 ( -0.000 0.000 4.621) 4.621 2.789 ( 0.000 -0.000 10.421) 10.421 2.793 ( -0.000 0.000 7.368) 7.368 2.931 ( 0.000 0.000 0.014) 0.014 3.156 ( 0.000 -0.000 8.667) 8.667 3.291 ( 0.000 -0.000 -0.113) 0.113 3.442 ( 0.000 -0.000 -6.114) 6.114 3.713 ( 0.000 0.000 -15.200) 15.200 3.966 ( -0.000 -0.000 -16.105) 16.105 3.996 ( 0.000 -0.000 -3.973) 3.973 5.184 ( 0.000 -0.000 14.634) 14.634 5.333 ( 0.000 0.000 5.208) 5.208 5.408 ( 0.000 -0.000 16.515) 16.515 5.632 ( 0.000 -0.000 -0.387) 0.387 5.745 ( 0.000 0.000 4.443) 4.443 6.346 ( -0.000 0.000 2.620) 2.620 6.391 ( 0.000 -0.000 -3.461) 3.461 7.802 ( 0.000 -0.000 2.868) 2.868 7.933 ( 0.000 -0.000 1.560) 1.560 8.529 ( 0.000 0.000 -1.154) 1.154 8.565 ( 0.000 -0.000 0.798) 0.798 8.894 ( -0.000 -0.000 0.591) 0.591 8.977 ( -0.000 -0.000 4.037) 4.037 9.505 ( -0.000 -0.000 27.176) 27.176 9.539 ( 0.000 -0.000 0.781) 0.781 9.795 ( 0.000 -0.000 20.333) 20.333 9.947 ( 0.000 0.000 4.850) 4.850 10.194 ( 0.000 -0.000 7.103) 7.103 10.293 ( 0.000 0.000 10.763) 10.763 11.087 ( -0.000 0.000 -1.943) 1.943 11.250 ( 0.000 -0.000 3.725) 3.725 11.561 ( -0.000 -0.000 -1.292) 1.292 11.760 ( 0.000 -0.000 -11.220) 11.220 14.492 ( -0.000 -0.000 -8.809) 8.809 14.681 ( 0.000 0.000 -12.469) 12.469 14.928 ( 0.000 -0.000 -12.448) 12.448 14.942 ( -0.000 0.000 -15.078) 15.078 16.348 ( 0.000 -0.000 20.581) 20.581 17.032 ( 0.000 -0.000 -4.453) 4.453 18.012 ( 0.000 -0.000 -10.526) 10.526 18.726 ( 0.000 -0.000 -14.819) 14.819======================= Grid point 222 (69/155) =======================q-point: ( 0.10 0.10 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( 14.989 0.000 16.119) 22.012 1.863 ( 24.420 0.000 19.699) 31.375 2.616 ( 24.952 0.000 30.674) 39.541 2.696 ( -0.904 -0.000 -13.464) 13.494 2.924 ( -3.238 -0.000 -3.150) 4.517 3.220 ( 9.598 0.000 3.120) 10.092 3.482 ( -0.547 -0.000 1.042) 1.177 3.589 ( -4.859 -0.000 -2.259) 5.358 3.715 ( -6.521 -0.000 1.354) 6.660 3.841 ( 7.420 0.000 3.375) 8.151 4.082 ( 4.903 0.000 8.188) 9.544 4.229 ( 9.449 0.000 10.061) 13.802 4.409 ( 18.054 0.000 16.722) 24.608 5.318 ( 1.817 0.000 -8.660) 8.849 5.942 ( -4.531 -0.000 3.399) 5.664 6.190 ( -10.692 -0.000 -11.577) 15.759 6.247 ( -5.358 -0.000 -2.754) 6.024 6.906 ( -16.254 -0.000 -6.306) 17.434 8.316 ( -1.861 -0.000 -8.715) 8.911 8.328 ( 9.160 0.000 2.763) 9.567 8.467 ( -2.121 -0.000 -3.744) 4.303 8.676 ( 10.502 0.000 2.739) 10.854 8.809 ( 2.166 0.000 -6.834) 7.169 9.049 ( 7.835 0.000 6.067) 9.910 9.125 ( 5.261 0.000 39.533) 39.882 9.171 ( 5.408 0.000 -0.298) 5.416 9.296 ( 6.088 0.000 -0.465) 6.106 9.549 ( 11.696 0.000 7.482) 13.884 9.901 ( 2.492 0.000 3.010) 3.908 10.073 ( 1.440 0.000 3.464) 3.751 10.253 ( 15.295 0.000 -1.664) 15.385 10.265 ( 1.945 0.000 24.493) 24.570 12.412 ( -12.959 -0.000 -15.028) 19.844 12.677 ( -7.966 -0.000 -10.496) 13.177 13.937 ( 1.648 0.000 7.097) 7.286 14.539 ( -0.323 -0.000 1.611) 1.643 15.431 ( -10.860 -0.000 -9.418) 14.375 15.713 ( -10.568 -0.000 -13.228) 16.931 16.292 ( 1.658 0.000 -0.875) 1.874 17.021 ( 0.564 0.000 1.105) 1.241 18.323 ( -5.968 -0.000 -5.505) 8.119 18.975 ( -4.032 -0.000 -2.436) 4.711======================= Grid point 223 (70/155) =======================q-point: ( 0.20 0.10 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 15.765 -9.350 12.507) 22.190 2.191 ( 14.910 -0.847 25.918) 29.913 2.690 ( -1.951 -4.241 -9.674) 10.742 2.858 ( -4.015 -0.286 -1.869) 4.438 3.054 ( 13.947 -0.531 15.050) 20.526 3.363 ( 15.844 2.670 6.729) 17.420 3.468 ( 0.093 5.827 -1.629) 6.051 3.501 ( -6.747 -0.599 -2.364) 7.174 3.611 ( -4.193 -0.643 -3.821) 5.710 3.911 ( 6.390 12.157 4.431) 14.431 4.071 ( -2.517 -0.233 -10.126) 10.437 4.463 ( 10.438 -12.320 9.328) 18.648 4.863 ( 28.339 0.595 24.255) 37.306 5.363 ( 1.389 -4.261 -7.347) 8.606 5.822 ( -5.786 6.882 5.749) 10.672 6.005 ( -8.067 2.780 -7.194) 11.160 6.183 ( -5.969 -8.741 0.594) 10.602 6.641 ( -12.886 0.648 -5.725) 14.115 8.160 ( -12.662 1.461 -2.202) 12.935 8.296 ( -4.439 7.386 -1.859) 8.816 8.528 ( 8.784 7.505 3.782) 12.156 8.718 ( -4.077 -3.413 -1.242) 5.460 8.934 ( 6.128 1.947 -7.519) 9.893 9.067 ( 3.416 10.523 6.465) 12.814 9.234 ( 5.650 -3.448 27.535) 28.320 9.339 ( 4.126 -13.729 13.885) 19.958 9.480 ( 7.219 -6.041 -0.043) 9.413 9.818 ( 16.453 -0.244 14.390) 21.859 9.955 ( 4.073 -0.591 3.778) 5.587 10.143 ( 11.000 2.582 4.407) 12.128 10.308 ( 3.666 1.045 18.489) 18.878 10.583 ( 22.857 -0.856 -4.001) 23.220 12.133 ( -19.254 -0.694 -10.782) 22.078 12.470 ( -16.284 -0.589 -6.885) 17.690 14.067 ( 13.087 1.516 -2.743) 13.457 14.564 ( 3.250 -0.511 -3.991) 5.172 15.200 ( -15.549 -0.769 -10.254) 18.642 15.487 ( -14.551 0.550 -13.823) 20.078 16.313 ( 1.436 0.037 7.149) 7.292 17.040 ( 0.680 -0.150 -0.556) 0.891 18.200 ( -6.889 1.396 -8.069) 10.701 18.887 ( -3.827 3.209 -8.924) 10.227======================= Grid point 224 (71/155) =======================q-point: ( 0.30 0.10 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( 14.359 -13.953 9.597) 22.203 2.440 ( 12.372 -1.175 25.610) 28.466 2.680 ( -4.604 -6.249 -2.778) 8.244 2.800 ( -2.174 -0.575 -1.953) 2.978 3.105 ( -1.021 1.282 8.696) 8.849 3.327 ( -7.797 5.668 3.065) 10.115 3.358 ( -7.904 2.807 -0.879) 8.434 3.570 ( -0.640 1.967 -6.780) 7.088 3.745 ( 21.140 6.156 0.660) 22.029 3.888 ( 1.999 8.425 -4.864) 9.931 4.033 ( -2.070 0.300 -12.913) 13.081 4.757 ( 9.596 -15.048 9.723) 20.323 5.266 ( 15.629 1.815 17.594) 23.603 5.446 ( 2.847 -8.444 -0.274) 8.916 5.653 ( -5.364 9.248 7.792) 13.230 5.879 ( -2.206 5.574 -1.624) 6.211 6.174 ( -4.814 -12.170 2.676) 13.359 6.462 ( -7.099 -0.376 -4.616) 8.476 7.932 ( -10.278 1.385 -1.303) 10.452 8.143 ( -4.961 9.214 1.323) 10.548 8.560 ( -0.577 3.878 0.875) 4.018 8.652 ( -1.095 3.350 1.866) 3.988 8.980 ( 2.591 4.255 -3.713) 6.213 9.033 ( 1.191 7.709 5.855) 9.753 9.359 ( 2.764 -8.445 19.713) 21.623 9.488 ( 1.292 -6.067 15.237) 16.452 9.595 ( 2.364 -8.665 10.557) 13.861 9.975 ( 3.350 0.809 11.321) 11.834 10.049 ( 3.804 -3.152 2.730) 5.644 10.348 ( 4.736 3.793 13.801) 15.076 10.556 ( 31.495 -0.201 5.445) 31.962 11.071 ( 31.103 0.064 -6.056) 31.687 11.743 ( -25.928 -0.780 -4.825) 26.384 12.115 ( -24.705 -1.394 -5.311) 25.308 14.331 ( 17.968 3.108 -8.736) 20.219 14.666 ( 7.443 -0.673 -9.289) 11.922 14.912 ( -18.237 -2.920 -11.123) 21.560 15.216 ( -14.800 1.285 -14.405) 20.693 16.341 ( 1.727 0.424 15.243) 15.346 17.039 ( -0.675 -0.127 -2.585) 2.674 18.079 ( -5.193 1.230 -10.134) 11.453 18.800 ( -3.102 2.942 -13.715) 14.366======================= Grid point 225 (72/155) =======================q-point: ( 0.40 0.10 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.232 ( 12.562 -15.146 7.453) 21.042 2.515 ( -6.161 1.487 14.448) 15.777 2.737 ( 7.914 -5.466 13.660) 16.707 2.783 ( -1.944 -0.573 0.587) 2.110 3.034 ( -4.359 7.384 2.574) 8.953 3.186 ( -2.734 -0.001 7.014) 7.528 3.200 ( -8.335 -1.553 -1.882) 8.685 3.544 ( 1.570 6.207 -6.562) 9.168 3.789 ( -0.997 8.611 -10.736) 13.798 3.971 ( -3.334 0.720 -13.659) 14.078 4.007 ( 6.283 1.516 -4.857) 8.085 5.020 ( 6.807 -13.320 9.263) 17.594 5.391 ( 1.565 -0.437 11.064) 11.183 5.484 ( -5.585 9.890 10.948) 15.775 5.534 ( -1.758 -6.872 6.059) 9.329 5.836 ( 1.757 6.804 2.095) 7.333 6.207 ( -2.856 -12.338 2.171) 12.849 6.402 ( -0.737 -1.515 -2.962) 3.408 7.824 ( -0.194 1.331 -1.790) 2.239 7.987 ( -5.199 6.056 3.746) 8.817 8.512 ( -0.966 -0.507 -0.788) 1.346 8.620 ( 0.582 5.697 3.173) 6.548 8.965 ( 0.454 5.838 -0.219) 5.860 8.988 ( -1.058 3.083 4.746) 5.757 9.472 ( 2.755 -6.656 10.918) 13.080 9.492 ( -1.940 -2.448 16.145) 16.445 9.726 ( 3.702 -6.872 18.872) 20.423 9.985 ( -0.499 2.368 9.550) 9.852 10.126 ( 1.590 -3.937 5.957) 7.315 10.369 ( 1.701 5.557 9.454) 11.098 11.099 ( 10.399 1.484 -1.943) 10.682 11.238 ( -11.470 -1.370 3.323) 12.020 11.574 ( -1.735 1.553 -2.047) 3.100 11.736 ( 5.215 -2.852 -10.169) 11.779 14.499 ( -10.800 0.823 -9.291) 14.271 14.674 ( 4.938 -0.827 -11.710) 12.735 14.878 ( 10.676 -3.193 -12.178) 16.506 14.986 ( -7.215 2.453 -15.186) 16.991 16.355 ( 0.179 0.734 20.193) 20.207 17.032 ( 0.211 0.013 -4.439) 4.444 18.010 ( -2.040 -0.158 -10.513) 10.710 18.733 ( -2.794 0.761 -14.985) 15.262======================= Grid point 226 (73/155) =======================q-point: (-0.50 0.10 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.328 ( -10.098 6.740 13.722) 18.322 2.512 ( 2.295 -4.984 9.327) 10.821 2.674 ( -3.645 -1.431 5.348) 6.628 2.931 ( 5.930 -7.471 9.428) 13.412 2.945 ( 2.777 6.010 4.266) 7.876 3.116 ( -5.142 -6.294 0.184) 8.130 3.182 ( -1.543 -3.043 4.600) 5.727 3.541 ( 4.229 5.698 -6.629) 9.711 3.691 ( -4.091 5.011 -12.411) 13.996 3.828 ( -11.729 0.532 -5.975) 13.174 4.064 ( 2.633 2.074 -11.774) 12.242 5.155 ( -3.322 -0.092 13.228) 13.639 5.251 ( -16.463 2.177 19.216) 25.398 5.359 ( 0.303 -1.610 10.049) 10.182 5.600 ( 3.162 -9.422 -2.711) 10.302 5.779 ( -1.168 9.030 -0.073) 9.105 6.282 ( 0.837 -11.375 -0.585) 11.420 6.449 ( 4.347 -1.044 -2.054) 4.920 7.811 ( -4.285 1.188 8.340) 9.451 7.961 ( 7.910 -1.300 -5.929) 9.970 8.550 ( 0.945 -0.222 1.302) 1.625 8.583 ( 2.591 2.185 1.803) 3.839 8.912 ( -1.038 5.077 1.222) 5.324 8.949 ( -2.268 -0.310 3.992) 4.601 9.476 ( -1.505 -2.977 9.806) 10.358 9.574 ( 3.693 -1.758 15.809) 16.330 9.800 ( 0.030 0.418 19.577) 19.581 9.927 ( -3.438 0.782 5.181) 6.267 10.166 ( -0.819 -3.324 10.810) 11.340 10.301 ( -4.048 7.481 5.491) 10.124 10.552 ( -35.918 -0.283 6.620) 36.524 11.088 ( -27.090 1.224 -5.650) 27.700 11.750 ( 27.889 -0.924 -6.241) 28.593 12.176 ( 25.289 1.758 -7.247) 26.366 14.199 ( -19.214 -3.813 -7.251) 20.888 14.676 ( -6.234 -0.242 -9.820) 11.634 15.037 ( 13.144 2.918 -12.781) 18.564 15.150 ( 16.267 -1.744 -13.794) 21.399 16.338 ( -1.237 0.495 16.406) 16.460 17.047 ( 1.275 0.325 -2.400) 2.737 18.010 ( 0.669 -2.526 -8.721) 9.104 18.695 ( -2.074 -2.297 -12.525) 12.902======================= Grid point 227 (74/155) =======================q-point: (-0.40 0.10 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( -10.543 14.790 13.097) 22.393 2.287 ( -15.711 5.733 15.621) 22.885 2.824 ( 5.566 -5.445 3.159) 8.403 2.961 ( 3.973 5.817 2.308) 7.412 3.042 ( -6.345 -7.738 5.771) 11.551 3.125 ( 4.667 -0.187 -1.239) 4.832 3.144 ( -8.299 -11.654 7.524) 16.165 3.507 ( -11.157 3.050 1.494) 11.662 3.600 ( 3.816 1.206 -5.325) 6.661 3.664 ( -2.583 0.632 -9.294) 9.667 4.099 ( 3.005 1.379 -9.797) 10.340 4.836 ( -27.424 -0.656 24.514) 36.789 4.940 ( -11.259 12.532 14.637) 22.317 5.502 ( 6.343 -9.242 4.938) 12.249 5.660 ( -2.939 9.834 -3.568) 10.866 5.780 ( 7.588 -10.193 -6.467) 14.259 6.421 ( 5.244 -8.881 -3.237) 10.810 6.553 ( 7.131 0.653 -3.733) 8.076 7.736 ( -7.191 -10.522 8.477) 15.306 8.165 ( 11.929 -0.735 -7.084) 13.893 8.480 ( -4.317 3.001 0.586) 5.290 8.715 ( 7.673 -2.255 4.661) 9.257 8.856 ( -1.963 1.709 2.075) 3.329 8.917 ( -1.374 -0.280 1.427) 2.001 9.404 ( -13.243 4.299 15.895) 21.131 9.611 ( 0.136 -1.546 6.674) 6.852 9.691 ( -7.038 1.943 13.582) 15.420 9.856 ( -10.525 1.284 6.595) 12.487 9.972 ( -15.483 -4.680 10.011) 19.023 10.149 ( -5.904 10.845 -0.197) 12.350 10.218 ( -2.642 -2.751 15.628) 16.087 10.633 ( -21.711 1.408 -2.717) 21.925 12.187 ( 21.478 2.160 -11.462) 24.441 12.519 ( 15.588 2.088 -8.037) 17.662 13.940 ( -13.800 -5.500 -0.201) 14.857 14.596 ( -1.406 0.991 -6.474) 6.699 15.251 ( 12.363 1.367 -10.814) 16.482 15.452 ( 16.132 -0.882 -13.565) 21.096 16.314 ( -1.109 0.205 7.946) 8.025 17.054 ( -0.309 0.691 -0.200) 0.783 18.070 ( 2.146 -5.867 -5.034) 8.023 18.701 ( -0.703 -5.198 -6.399) 8.274======================= Grid point 228 (75/155) =======================q-point: (-0.30 0.10 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( -11.894 20.700 11.413) 26.462 1.941 ( -19.858 4.841 18.688) 27.695 2.708 ( -17.768 6.351 21.093) 28.302 2.925 ( 1.318 9.019 -7.994) 12.124 3.017 ( 0.715 -0.170 -3.513) 3.589 3.059 ( -7.230 -6.777 5.912) 11.539 3.239 ( 1.675 -5.927 -1.977) 6.469 3.421 ( -3.791 -13.363 7.535) 15.803 3.649 ( 6.361 1.925 -1.545) 6.823 3.704 ( 3.761 -0.510 -2.769) 4.698 4.095 ( -6.814 1.525 8.385) 10.912 4.402 ( -16.134 -0.188 16.167) 22.841 4.628 ( -11.942 12.772 11.967) 21.188 5.502 ( -4.096 9.212 -7.662) 12.663 5.705 ( 6.014 -9.371 3.955) 11.816 6.016 ( 9.313 -10.152 -10.080) 17.071 6.559 ( 7.469 6.795 -4.297) 10.973 6.712 ( 7.705 -10.403 -7.862) 15.146 7.755 ( -6.040 -23.560 6.493) 25.174 8.322 ( 2.999 2.330 -3.386) 5.088 8.370 ( -3.365 2.808 -4.738) 6.454 8.764 ( -13.044 2.769 2.090) 13.497 8.790 ( -2.557 -2.326 1.766) 3.882 8.934 ( 4.732 1.666 -4.697) 6.872 9.067 ( -9.719 -2.656 27.698) 29.473 9.505 ( -12.971 3.200 2.051) 13.516 9.586 ( -11.429 8.680 9.043) 16.963 9.658 ( 2.114 0.508 5.400) 5.822 9.864 ( -4.148 -1.807 1.569) 4.788 9.995 ( -5.024 2.784 6.602) 8.751 10.174 ( -5.794 1.024 8.329) 10.198 10.362 ( -6.873 1.137 10.209) 12.359 12.454 ( 11.687 2.876 -14.417) 18.781 12.707 ( 8.121 1.619 -9.884) 12.895 13.826 ( -4.435 -6.626 11.083) 13.653 14.616 ( 5.415 3.852 -4.119) 7.818 15.436 ( 9.183 0.086 -8.949) 12.823 15.705 ( 11.777 -0.199 -13.746) 18.102 16.290 ( -2.216 -0.071 -0.956) 2.415 17.033 ( -0.611 0.677 1.160) 1.476 18.168 ( 1.544 -9.366 -0.993) 9.544 18.750 ( 0.192 -7.671 2.150) 7.969======================= Grid point 229 (76/155) =======================q-point: (-0.20 0.10 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( -16.703 14.815 14.476) 26.609 1.494 ( -17.760 18.750 15.995) 30.378 2.408 ( -7.683 6.785 39.436) 40.746 2.853 ( -0.712 8.364 -11.953) 14.606 2.909 ( -11.175 -5.218 -1.075) 12.380 3.049 ( 2.086 4.899 -7.319) 9.050 3.330 ( 1.795 -8.917 6.148) 10.978 3.460 ( -5.516 -10.953 3.982) 12.893 3.767 ( 1.486 -2.193 3.868) 4.688 3.799 ( 7.111 0.893 10.409) 12.638 3.857 ( -6.164 0.062 23.003) 23.814 4.281 ( -8.132 6.750 4.568) 11.514 4.372 ( -1.870 6.358 3.551) 7.518 5.371 ( -3.092 6.219 -9.275) 11.588 5.869 ( 4.104 -8.294 2.015) 9.470 6.241 ( 6.593 -8.853 -12.630) 16.774 6.570 ( 4.353 14.728 -6.868) 16.823 6.970 ( 7.455 -17.474 -9.112) 21.070 7.901 ( -3.157 -30.470 3.505) 30.833 8.206 ( -5.326 7.143 -0.089) 8.910 8.312 ( -5.845 2.338 -8.453) 10.539 8.435 ( -14.945 1.139 0.366) 14.993 8.780 ( -0.578 -1.135 1.849) 2.245 9.003 ( 3.255 -1.304 12.675) 13.151 9.062 ( 1.170 1.978 15.437) 15.607 9.244 ( -10.044 5.998 -1.411) 11.784 9.378 ( -4.371 4.915 0.050) 6.578 9.627 ( 0.841 11.123 1.130) 11.211 9.845 ( -5.640 0.735 0.999) 5.775 9.905 ( -1.921 -7.364 8.770) 11.612 10.040 ( -5.646 2.561 3.691) 7.215 10.305 ( -0.553 2.343 23.151) 23.275 12.586 ( 5.808 0.654 -16.905) 17.887 12.783 ( 2.348 1.493 -10.694) 11.050 13.885 ( 3.126 -8.639 21.187) 23.093 14.688 ( 7.076 8.406 -4.697) 11.949 15.564 ( 5.009 -0.772 -7.856) 9.349 15.872 ( 8.116 0.281 -12.938) 15.275 16.203 ( -8.472 -0.529 -9.022) 12.387 17.053 ( 3.369 0.302 3.603) 4.942 18.268 ( 0.132 -11.745 1.544) 11.847 18.825 ( -0.088 -10.331 9.752) 14.207======================= Grid point 230 (77/155) =======================q-point: (-0.10 0.10 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( 0.000 7.794 21.128) 22.520 1.141 ( 0.000 27.045 17.072) 31.983 2.312 ( 0.000 3.524 49.607) 49.732 2.784 ( 0.000 8.652 -14.824) 17.164 2.824 ( -0.000 -4.787 -2.839) 5.566 3.025 ( 0.000 5.008 -6.903) 8.529 3.387 ( -0.000 -2.845 7.350) 7.881 3.491 ( -0.000 -14.656 11.801) 18.817 3.760 ( -0.000 -5.055 22.408) 22.971 3.820 ( -0.000 -2.268 2.255) 3.199 3.983 ( 0.000 10.911 3.419) 11.434 4.040 ( 0.000 4.032 11.962) 12.623 4.353 ( 0.000 2.844 -1.916) 3.429 5.305 ( 0.000 3.580 -9.223) 9.893 5.970 ( -0.000 -7.135 0.984) 7.203 6.363 ( -0.000 -5.999 -13.648) 14.908 6.490 ( 0.000 13.465 -8.136) 15.732 7.196 ( -0.000 -16.606 -8.546) 18.676 8.057 ( -0.000 -11.812 -4.306) 12.573 8.079 ( 0.000 10.337 -0.701) 10.361 8.243 ( -0.000 -7.264 -1.462) 7.409 8.330 ( -0.000 -11.282 1.156) 11.341 8.777 ( 0.000 0.464 0.973) 1.078 9.009 ( 0.000 2.284 25.786) 25.887 9.086 ( 0.000 1.299 -6.926) 7.047 9.096 ( 0.000 4.975 11.522) 12.551 9.325 ( 0.000 3.159 -7.990) 8.592 9.511 ( 0.000 20.648 -0.407) 20.652 9.770 ( -0.000 -5.597 1.043) 5.694 9.943 ( 0.000 2.332 5.364) 5.849 9.991 ( -0.000 -6.980 10.733) 12.803 10.277 ( 0.000 3.354 26.734) 26.943 12.639 ( 0.000 0.129 -19.911) 19.911 12.792 ( 0.000 0.295 -10.396) 10.400 14.009 ( -0.000 -9.872 21.443) 23.606 14.677 ( 0.000 10.819 -2.716) 11.155 15.617 ( -0.000 -0.850 -7.977) 8.022 16.017 ( 0.000 0.030 -15.718) 15.718 16.038 ( -0.000 -0.414 -6.833) 6.846 17.097 ( 0.000 0.010 3.713) 3.713 18.360 ( -0.000 -9.462 0.085) 9.463 18.918 ( -0.000 -12.695 11.368) 17.041======================= Grid point 233 (78/155) =======================q-point: ( 0.20 0.20 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 15.321 0.000 10.074) 18.336 2.432 ( 13.299 0.000 26.779) 29.899 2.622 ( -4.125 -0.000 -5.224) 6.656 2.795 ( -2.362 -0.000 -2.113) 3.169 3.115 ( -0.876 -0.000 9.911) 9.950 3.329 ( -11.617 -0.000 -2.046) 11.796 3.429 ( -5.915 -0.000 3.233) 6.740 3.583 ( 0.638 0.000 -8.912) 8.935 3.781 ( 21.473 0.000 -1.030) 21.498 3.989 ( -2.537 -0.000 -5.133) 5.726 4.059 ( 0.217 0.000 -4.549) 4.554 4.601 ( 11.355 0.000 6.645) 13.156 5.297 ( 18.358 0.000 22.603) 29.119 5.357 ( 0.202 0.000 -5.741) 5.745 5.750 ( -5.425 -0.000 6.828) 8.720 5.935 ( -1.667 -0.000 0.747) 1.827 6.040 ( -5.246 -0.000 1.913) 5.584 6.455 ( -8.142 -0.000 -5.048) 9.580 7.941 ( -10.948 -0.000 -2.162) 11.159 8.219 ( -6.872 -0.000 -0.292) 6.878 8.600 ( -6.432 -0.000 -2.285) 6.826 8.704 ( 5.895 0.000 6.594) 8.844 9.003 ( 0.155 0.000 -6.728) 6.730 9.166 ( 1.191 0.000 14.766) 14.814 9.232 ( 2.790 0.000 5.792) 6.429 9.434 ( 8.894 0.000 32.754) 33.940 9.501 ( -1.092 -0.000 1.368) 1.750 9.977 ( 2.980 0.000 14.793) 15.091 10.029 ( 4.750 0.000 0.660) 4.796 10.381 ( 4.153 0.000 13.587) 14.208 10.553 ( 31.164 0.000 4.838) 31.537 11.072 ( 32.238 0.000 -6.115) 32.813 11.736 ( -25.989 -0.000 -4.656) 26.402 12.103 ( -24.908 -0.000 -4.839) 25.373 14.358 ( 18.243 0.000 -9.031) 20.356 14.660 ( 7.624 0.000 -8.918) 11.732 14.887 ( -19.350 -0.000 -10.848) 22.183 15.226 ( -14.792 -0.000 -14.456) 20.683 16.346 ( 1.943 0.000 14.820) 14.947 17.038 ( -0.597 -0.000 -2.591) 2.659 18.089 ( -5.877 -0.000 -10.340) 11.893 18.826 ( -4.297 -0.000 -14.140) 14.779======================= Grid point 234 (79/155) =======================q-point: ( 0.30 0.20 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( 13.722 -7.007 7.257) 17.031 2.527 ( -5.935 0.316 4.343) 7.361 2.657 ( 9.477 -3.171 23.821) 25.832 2.776 ( -0.629 -0.223 -1.640) 1.770 3.099 ( -3.967 1.716 1.968) 4.749 3.125 ( -7.434 -2.324 -0.477) 7.803 3.283 ( -7.665 4.016 5.224) 10.108 3.604 ( 2.106 1.646 -10.039) 10.388 3.899 ( -4.148 2.912 -10.740) 11.876 3.987 ( -4.746 0.767 -6.989) 8.483 4.066 ( 8.629 4.942 -2.674) 10.297 4.832 ( 10.194 -7.820 5.723) 14.064 5.366 ( 0.338 -1.854 -1.694) 2.534 5.458 ( -1.479 -1.809 19.852) 19.989 5.632 ( -5.208 6.539 11.950) 14.584 5.924 ( 1.835 3.766 2.155) 4.711 6.017 ( -2.486 -9.110 2.420) 9.748 6.365 ( -2.820 -1.890 -4.362) 5.527 7.834 ( -0.149 0.183 -4.160) 4.167 8.071 ( -8.269 3.022 2.429) 9.133 8.511 ( -2.496 0.063 -0.836) 2.633 8.742 ( 2.056 7.451 7.763) 10.955 8.971 ( -3.408 -1.551 -0.417) 3.767 9.129 ( 0.217 8.550 7.733) 11.530 9.333 ( 1.569 -8.100 5.332) 9.824 9.471 ( 0.326 -0.133 10.299) 10.305 9.606 ( 6.185 -6.329 26.350) 27.796 9.995 ( -0.780 -0.354 14.526) 14.552 10.105 ( 3.851 0.301 2.346) 4.519 10.435 ( 2.403 2.223 8.859) 9.445 11.127 ( 27.278 1.454 -2.056) 27.394 11.212 ( -28.297 -1.393 2.712) 28.461 11.609 ( -13.543 2.537 -4.460) 14.482 11.680 ( 18.353 -3.367 -7.254) 20.020 14.513 ( -19.980 0.630 -10.358) 22.515 14.660 ( 11.108 -0.659 -10.059) 15.000 14.840 ( 11.037 -1.277 -11.529) 16.011 15.013 ( -6.002 0.854 -15.728) 16.856 16.366 ( 0.296 0.446 19.583) 19.590 17.032 ( 0.339 0.008 -4.418) 4.431 18.008 ( -3.268 -0.094 -10.493) 10.990 18.744 ( -4.573 0.467 -15.252) 15.930======================= Grid point 235 (80/155) =======================q-point: (-0.60 0.20 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.326 ( 7.515 -9.430 4.251) 12.786 2.407 ( -3.769 0.853 11.682) 12.304 2.702 ( -8.834 1.540 2.700) 9.365 2.816 ( 3.957 -6.287 20.348) 21.662 2.969 ( -4.170 -3.457 -4.857) 7.275 3.082 ( -4.429 4.918 5.480) 8.593 3.203 ( 3.759 1.736 2.578) 4.878 3.621 ( 2.236 3.535 -8.856) 9.794 3.779 ( -5.040 4.570 -10.980) 12.917 3.850 ( -9.654 2.162 -5.315) 11.231 4.111 ( 1.601 3.526 -8.312) 9.170 5.056 ( 7.262 -7.641 5.705) 11.986 5.258 ( -17.934 0.077 22.177) 28.521 5.413 ( -4.041 -1.446 6.002) 7.379 5.493 ( -1.365 1.631 6.852) 7.174 5.908 ( 0.133 6.321 0.139) 6.323 6.079 ( -0.027 -11.728 0.123) 11.729 6.389 ( 2.372 -4.862 -3.329) 6.352 7.873 ( -6.515 4.489 4.402) 9.054 7.945 ( 7.187 -0.853 -6.103) 9.467 8.532 ( 4.215 -1.116 2.050) 4.818 8.680 ( -0.670 8.804 5.769) 10.547 8.923 ( -3.611 -1.814 3.545) 5.376 9.049 ( -0.910 8.939 4.283) 9.954 9.374 ( -2.760 -8.261 3.098) 9.245 9.545 ( 5.331 -1.625 16.423) 17.343 9.741 ( 3.143 -5.927 20.030) 21.124 9.950 ( -4.368 1.008 12.042) 12.849 10.152 ( 1.597 1.532 7.333) 7.660 10.395 ( -8.732 3.341 5.810) 11.008 10.553 ( -32.913 0.657 4.867) 33.278 11.109 ( -27.459 1.204 -5.110) 27.956 11.728 ( 30.492 -1.432 -7.475) 31.428 12.198 ( 26.468 0.923 -7.539) 27.536 14.150 ( -20.651 -2.059 -6.630) 21.786 14.671 ( -5.912 -0.343 -9.534) 11.224 15.052 ( 11.887 -0.651 -12.720) 17.422 15.145 ( 17.104 0.900 -13.892) 22.053 16.349 ( -1.458 0.636 16.163) 16.241 17.052 ( 1.622 0.230 -2.243) 2.777 17.975 ( -1.441 -1.621 -8.073) 8.360 18.670 ( -3.727 -0.880 -12.525) 13.097======================= Grid point 236 (81/155) =======================q-point: (-0.50 0.20 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.218 ( -7.798 5.616 15.569) 18.296 2.381 ( -15.553 4.105 6.913) 17.508 2.683 ( 8.432 -9.663 2.807) 13.128 2.921 ( 0.610 -10.597 10.988) 15.278 2.956 ( -3.614 -2.931 0.396) 4.670 2.989 ( -3.174 -1.247 6.977) 7.766 3.243 ( 3.272 8.404 -0.357) 9.025 3.601 ( -11.719 6.099 0.380) 13.217 3.639 ( 1.560 3.185 -6.661) 7.546 3.687 ( -1.226 2.876 -9.830) 10.315 4.124 ( 2.892 1.766 -8.345) 9.006 4.828 ( -27.635 -0.284 25.360) 37.509 5.108 ( -8.041 7.682 13.779) 17.707 5.362 ( 4.223 -6.653 6.124) 9.980 5.607 ( 5.611 -10.595 -4.165) 12.692 5.818 ( -3.234 8.882 -3.445) 10.061 6.204 ( 2.006 -14.665 -3.639) 15.242 6.515 ( 6.527 -5.807 -2.764) 9.163 7.678 ( -10.624 1.662 5.966) 12.297 8.154 ( 12.850 -0.593 -8.476) 15.405 8.564 ( -1.861 7.088 2.416) 7.717 8.682 ( 7.426 -1.234 6.466) 9.924 8.871 ( -3.422 -0.560 5.594) 6.581 8.971 ( -0.049 6.562 1.333) 6.696 9.396 ( -4.182 -6.347 6.525) 10.018 9.590 ( -8.514 1.014 15.634) 17.830 9.700 ( -17.595 0.080 12.952) 21.848 9.825 ( -4.681 -5.420 2.199) 7.492 9.913 ( -13.654 -2.359 12.762) 18.838 10.200 ( -1.252 0.897 14.143) 14.227 10.324 ( -3.902 9.188 -1.342) 10.072 10.649 ( -22.579 0.573 -1.752) 22.654 12.219 ( 24.355 1.626 -11.963) 27.183 12.552 ( 15.109 1.849 -9.385) 17.883 13.853 ( -15.677 -4.866 1.600) 16.493 14.609 ( 0.284 0.614 -7.531) 7.561 15.261 ( 11.194 -0.074 -11.720) 16.207 15.448 ( 16.772 0.300 -12.751) 21.071 16.318 ( -1.325 0.341 8.106) 8.220 17.065 ( -0.071 0.654 0.125) 0.669 17.980 ( -1.052 -4.840 -3.018) 5.800 18.638 ( -1.398 -2.617 -6.488) 7.134======================= Grid point 237 (82/155) =======================q-point: (-0.40 0.20 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( -18.076 11.142 7.818) 22.627 2.041 ( -9.991 7.493 20.553) 24.050 2.814 ( -6.870 4.350 7.670) 11.178 2.877 ( -7.609 -8.813 2.228) 11.855 2.914 ( -4.270 -8.520 8.098) 12.506 3.055 ( 4.692 -6.238 -4.947) 9.242 3.205 ( 2.264 6.444 2.288) 7.204 3.392 ( -2.691 9.405 3.330) 10.333 3.680 ( 5.427 1.948 -3.169) 6.580 3.695 ( 2.365 -0.694 -4.435) 5.074 4.123 ( -7.818 1.704 10.816) 13.454 4.400 ( -13.926 -0.003 15.330) 20.711 4.817 ( -13.768 10.880 13.568) 22.182 5.547 ( 6.953 -9.058 3.129) 11.840 5.661 ( -5.650 9.000 -6.677) 12.550 5.824 ( 7.525 -13.133 -8.031) 17.135 6.383 ( 2.865 -18.878 -7.460) 20.500 6.691 ( 9.090 -1.860 -3.678) 9.981 7.498 ( -11.348 -6.674 5.420) 14.237 8.355 ( 8.788 1.328 -8.923) 12.594 8.457 ( -2.876 7.880 0.164) 8.390 8.780 ( 0.456 0.687 2.931) 3.044 8.807 ( -8.706 2.341 6.229) 10.958 8.957 ( -1.227 1.271 1.951) 2.632 9.031 ( -14.480 -1.566 14.569) 20.600 9.505 ( -8.169 -6.652 11.251) 15.413 9.543 ( -6.873 -4.635 4.784) 9.571 9.732 ( -6.222 5.178 5.168) 9.603 9.828 ( -3.015 -2.547 2.145) 4.492 10.045 ( -11.455 2.540 7.779) 14.078 10.267 ( 2.555 7.922 6.802) 10.750 10.369 ( -8.042 0.744 6.938) 10.647 12.513 ( 11.395 4.271 -15.549) 19.745 12.735 ( 8.653 1.633 -9.044) 12.623 13.702 ( -7.316 -8.314 13.532) 17.486 14.677 ( 8.867 3.520 -7.347) 12.041 15.435 ( 8.448 -0.080 -9.735) 12.890 15.704 ( 12.270 0.102 -13.095) 17.946 16.289 ( -2.593 0.002 -0.778) 2.707 17.045 ( -0.770 0.736 1.274) 1.661 18.009 ( -2.273 -9.190 3.657) 10.149 18.660 ( 0.606 -3.747 1.296) 4.010======================= Grid point 238 (83/155) =======================q-point: (-0.30 0.20 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( -21.403 11.610 12.102) 27.191 1.823 ( -4.867 17.367 19.197) 26.340 2.573 ( -6.728 12.671 21.955) 26.227 2.749 ( -11.821 -10.414 1.947) 15.874 2.971 ( 0.339 -2.984 -3.953) 4.965 3.120 ( 3.000 7.111 -1.665) 7.895 3.244 ( 0.680 -6.022 -6.211) 8.678 3.334 ( 0.551 2.550 7.957) 8.374 3.725 ( 0.612 -2.585 -1.999) 3.324 3.812 ( -7.309 0.732 26.221) 27.230 3.870 ( 6.431 1.326 13.032) 14.593 4.350 ( -1.057 3.133 0.937) 3.437 4.500 ( -10.739 8.162 9.503) 16.500 5.489 ( -4.763 8.083 -9.790) 13.560 5.729 ( 4.634 -8.872 2.244) 10.257 6.058 ( 5.871 -13.446 -11.000) 18.337 6.607 ( 2.903 -23.210 -10.039) 25.454 6.810 ( 6.579 10.073 -6.798) 13.819 7.438 ( -7.748 -23.537 5.933) 25.480 8.339 ( -3.278 7.976 -4.533) 9.742 8.376 ( -4.341 5.212 -4.039) 7.895 8.466 ( -13.184 2.963 -0.034) 13.513 8.782 ( 1.766 1.296 3.608) 4.221 8.976 ( 3.415 -1.804 20.158) 20.525 9.075 ( 3.598 -0.637 3.374) 4.973 9.276 ( -12.485 -0.061 -3.570) 12.985 9.496 ( -5.089 4.875 6.681) 9.711 9.615 ( -4.781 -5.216 5.552) 8.994 9.813 ( -0.203 -4.099 3.409) 5.335 9.882 ( -6.262 0.437 2.509) 6.760 10.182 ( -0.625 13.644 1.426) 13.732 10.325 ( -0.114 0.200 21.463) 21.465 12.606 ( 4.093 1.755 -17.046) 17.618 12.820 ( 2.888 3.131 -7.919) 8.992 13.724 ( -0.049 -11.041 24.755) 27.106 14.821 ( 10.843 7.519 -10.980) 17.166 15.553 ( 4.552 -0.523 -7.918) 9.148 15.877 ( 8.158 0.263 -13.192) 15.513 16.196 ( -8.582 -0.357 -9.109) 12.520 17.058 ( 2.916 0.360 3.496) 4.566 18.048 ( -3.500 -13.641 9.848) 17.185 18.707 ( 0.718 -4.528 8.099) 9.307======================= Grid point 239 (84/155) =======================q-point: (-0.20 0.20 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 0.000 13.015 17.030) 21.434 1.597 ( 0.000 25.697 15.915) 30.226 2.422 ( 0.000 10.772 37.319) 38.842 2.709 ( -0.000 -9.251 -1.266) 9.337 2.949 ( 0.000 8.499 -11.556) 14.345 3.099 ( 0.000 3.534 -6.473) 7.375 3.307 ( -0.000 -7.118 -1.998) 7.393 3.327 ( -0.000 -2.859 13.977) 14.266 3.694 ( -0.000 -2.623 32.628) 32.734 3.768 ( -0.000 -3.753 -0.755) 3.828 4.103 ( 0.000 3.593 12.047) 12.571 4.118 ( 0.000 6.264 3.166) 7.018 4.415 ( 0.000 4.457 1.078) 4.585 5.387 ( 0.000 6.315 -10.280) 12.065 5.842 ( -0.000 -8.418 1.613) 8.571 6.217 ( -0.000 -11.745 -12.573) 17.205 6.744 ( 0.000 16.787 -8.264) 18.711 6.844 ( -0.000 -25.570 -10.592) 27.677 7.609 ( -0.000 -32.019 5.453) 32.480 8.242 ( 0.000 2.873 -6.227) 6.857 8.280 ( 0.000 13.270 -1.878) 13.402 8.302 ( 0.000 2.112 -0.896) 2.295 8.793 ( 0.000 1.643 2.995) 3.416 9.024 ( 0.000 0.396 35.128) 35.130 9.110 ( 0.000 1.474 -8.490) 8.617 9.142 ( -0.000 -0.711 -7.243) 7.278 9.400 ( 0.000 7.404 2.740) 7.895 9.636 ( -0.000 -10.568 4.859) 11.632 9.783 ( 0.000 8.713 -0.399) 8.722 9.874 ( -0.000 -7.106 6.370) 9.543 10.056 ( 0.000 13.412 3.218) 13.793 10.317 ( 0.000 1.442 24.765) 24.806 12.642 ( 0.000 0.174 -20.139) 20.140 12.813 ( 0.000 2.502 -5.833) 6.347 13.829 ( -0.000 -11.952 28.293) 30.714 14.858 ( 0.000 10.583 -12.505) 16.382 15.600 ( -0.000 -1.009 -7.209) 7.279 16.017 ( 0.000 0.049 -15.719) 15.719 16.031 ( -0.000 -0.299 -8.399) 8.404 17.097 ( 0.000 0.016 3.678) 3.678 18.135 ( -0.000 -16.318 10.593) 19.455 18.756 ( -0.000 -6.437 11.937) 13.562======================= Grid point 244 (85/155) =======================q-point: ( 0.30 0.30 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.236 ( 11.236 0.000 4.236) 12.008 2.418 ( -5.259 -0.000 6.583) 8.425 2.712 ( -9.242 -0.000 1.011) 9.297 2.760 ( 3.200 0.000 26.227) 26.422 2.940 ( -3.885 -0.000 -5.869) 7.038 3.131 ( -6.100 -0.000 5.717) 8.360 3.218 ( 5.229 0.000 2.171) 5.662 3.649 ( 1.892 0.000 -10.205) 10.379 3.816 ( -7.379 -0.000 -9.419) 11.965 3.875 ( -6.669 -0.000 -6.155) 9.075 4.149 ( 0.140 0.000 -5.674) 5.676 4.984 ( 10.058 0.000 3.893) 10.786 5.262 ( -19.516 -0.000 23.644) 30.658 5.367 ( 1.243 0.000 -2.658) 2.934 5.547 ( -7.795 -0.000 16.782) 18.504 5.953 ( 0.104 0.000 -1.615) 1.618 5.980 ( 1.294 0.000 1.641) 2.090 6.340 ( 1.228 0.000 -4.437) 4.603 7.919 ( -10.187 -0.000 3.626) 10.813 7.932 ( 10.119 0.000 -7.237) 12.441 8.522 ( 4.001 0.000 2.162) 4.548 8.799 ( 0.230 0.000 10.318) 10.320 8.881 ( -4.771 -0.000 0.978) 4.870 9.145 ( -2.242 -0.000 8.007) 8.315 9.281 ( -2.641 -0.000 4.066) 4.848 9.528 ( 5.754 0.000 2.096) 6.124 9.678 ( 3.787 0.000 29.751) 29.991 9.958 ( -3.235 -0.000 13.225) 13.615 10.173 ( 3.411 0.000 6.314) 7.176 10.416 ( -16.731 -0.000 6.540) 17.964 10.563 ( -26.874 -0.000 3.605) 27.115 11.120 ( -28.234 -0.000 -4.806) 28.640 11.715 ( 32.049 0.000 -8.108) 33.058 12.206 ( 27.035 0.000 -7.545) 28.068 14.134 ( -21.308 -0.000 -6.409) 22.251 14.667 ( -5.813 -0.000 -9.351) 11.011 15.043 ( 12.319 0.000 -12.529) 17.571 15.155 ( 16.663 0.000 -14.022) 21.778 16.355 ( -1.610 -0.000 15.949) 16.030 17.054 ( 1.766 0.000 -2.171) 2.799 17.961 ( -2.226 -0.000 -7.840) 8.150 18.663 ( -4.304 -0.000 -12.583) 13.299======================= Grid point 245 (86/155) =======================q-point: (-0.60 0.30 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( -5.567 0.962 10.468) 11.895 2.405 ( -9.247 0.044 6.060) 11.056 2.574 ( 4.811 -3.241 0.267) 5.807 2.795 ( -0.454 -4.157 20.606) 21.026 2.939 ( 0.485 -0.035 -2.587) 2.633 2.971 ( -10.502 -0.791 4.370) 11.402 3.341 ( 7.067 3.175 2.168) 8.045 3.661 ( -4.440 1.900 -5.676) 7.453 3.669 ( -2.219 0.588 -7.688) 8.024 3.764 ( -4.142 3.971 -4.768) 7.461 4.150 ( 1.988 1.100 -6.691) 7.066 4.826 ( -28.024 0.003 26.277) 38.416 5.157 ( 7.000 -0.821 4.402) 8.309 5.343 ( -7.676 4.162 12.425) 15.187 5.454 ( 1.394 -7.847 0.247) 7.974 5.933 ( -2.238 4.740 -3.548) 6.330 6.013 ( 0.301 -7.418 -3.020) 8.015 6.417 ( 5.476 -4.325 -3.261) 7.702 7.721 ( -11.322 2.041 3.314) 11.972 8.146 ( 13.206 -0.295 -9.387) 16.205 8.635 ( 7.170 0.330 3.625) 8.041 8.737 ( -0.583 8.161 7.713) 11.244 8.842 ( -2.664 -3.633 6.043) 7.538 9.076 ( -2.542 4.821 4.699) 7.197 9.266 ( -2.279 -6.784 6.431) 9.621 9.623 ( 0.296 2.414 10.004) 10.296 9.699 ( -13.495 -1.541 14.346) 19.755 9.728 ( -27.684 -3.655 6.515) 28.674 9.886 ( -6.566 -0.931 10.823) 12.693 10.221 ( 2.104 1.055 12.123) 12.349 10.428 ( -4.796 3.359 -1.906) 6.158 10.653 ( -23.060 0.091 -0.679) 23.070 12.237 ( 26.786 0.579 -12.271) 29.469 12.574 ( 14.900 0.759 -10.577) 18.288 13.795 ( -17.539 -1.977 2.866) 17.881 14.616 ( 1.480 0.212 -8.046) 8.184 15.255 ( 11.361 -0.324 -12.241) 16.704 15.455 ( 16.508 0.361 -12.204) 20.532 16.323 ( -1.614 0.173 8.080) 8.241 17.073 ( 0.081 0.271 0.363) 0.460 17.924 ( -2.813 -1.799 -1.960) 3.872 18.612 ( -1.582 -0.743 -6.756) 6.979======================= Grid point 246 (87/155) =======================q-point: (-0.50 0.30 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.109 ( -17.979 5.707 6.483) 19.946 2.149 ( -4.980 4.723 17.878) 19.150 2.729 ( -12.897 -6.530 -0.063) 14.456 2.779 ( 1.902 -6.284 8.962) 11.110 2.829 ( -0.034 -6.108 7.577) 9.733 2.962 ( 1.360 -0.389 -0.659) 1.561 3.370 ( 2.778 9.330 2.768) 10.121 3.562 ( -0.613 9.204 1.414) 9.332 3.680 ( 0.955 -1.095 -5.453) 5.643 3.714 ( 3.633 2.232 -4.626) 6.292 4.147 ( -9.024 1.150 13.131) 15.974 4.402 ( -11.862 0.145 14.423) 18.675 4.990 ( -14.740 10.452 14.124) 22.935 5.404 ( 7.060 -8.268 2.960) 11.268 5.604 ( 5.078 -12.155 -5.235) 14.176 5.807 ( -5.387 7.939 -6.911) 11.824 6.099 ( -0.867 -14.579 -6.890) 16.149 6.590 ( 8.298 -7.776 -1.305) 11.447 7.495 ( -11.840 3.143 0.869) 12.281 8.368 ( 10.995 0.442 -10.523) 15.225 8.607 ( -0.966 9.892 1.498) 10.051 8.795 ( 3.716 0.646 3.466) 5.122 8.831 ( -0.795 0.431 12.410) 12.443 8.975 ( -23.513 0.706 6.438) 24.389 9.026 ( -8.592 1.223 4.383) 9.723 9.319 ( -2.770 -11.817 10.163) 15.831 9.529 ( -12.488 -0.208 9.018) 15.405 9.756 ( -0.436 -1.606 1.312) 2.119 9.791 ( -3.381 -1.220 5.921) 6.927 10.110 ( -15.920 5.102 6.581) 17.967 10.301 ( -1.429 -2.237 13.030) 13.297 10.443 ( -1.189 5.857 -0.230) 5.981 12.581 ( 11.636 3.650 -18.221) 21.926 12.757 ( 9.947 1.093 -7.797) 12.686 13.576 ( -10.640 -6.424 15.501) 19.868 14.724 ( 11.138 2.052 -9.164) 14.568 15.434 ( 8.553 -0.072 -10.975) 13.915 15.707 ( 12.144 0.167 -11.955) 17.042 16.290 ( -2.823 0.042 -0.471) 2.862 17.055 ( -0.973 0.483 1.408) 1.779 17.891 ( -4.170 -5.070 6.260) 9.071 18.620 ( 1.135 -1.435 0.213) 1.843======================= Grid point 247 (88/155) =======================q-point: (-0.40 0.30 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( -17.057 12.508 9.966) 23.382 2.027 ( -2.837 8.536 21.473) 23.281 2.538 ( -12.780 -12.628 0.464) 17.973 2.783 ( -3.380 6.171 8.609) 11.119 2.870 ( 0.903 -3.800 9.920) 10.661 3.066 ( 4.166 -8.357 -5.914) 11.053 3.325 ( 1.811 11.541 2.776) 12.008 3.478 ( 0.461 10.704 -1.148) 10.775 3.687 ( -0.510 -2.080 -5.078) 5.511 3.824 ( -12.882 0.702 32.622) 35.080 3.895 ( 11.993 1.630 8.716) 14.915 4.395 ( 1.858 2.401 0.976) 3.189 4.629 ( -15.460 7.881 11.527) 20.832 5.586 ( 4.936 -8.055 1.237) 9.527 5.624 ( -5.186 7.558 -9.740) 13.375 5.824 ( 5.185 -14.159 -8.644) 17.380 6.223 ( -1.477 -21.826 -9.612) 23.895 6.823 ( 9.907 -9.838 0.188) 13.963 7.264 ( -11.607 2.477 -1.718) 11.992 8.415 ( -12.112 2.668 -3.740) 12.954 8.479 ( -6.332 4.893 -4.985) 9.428 8.552 ( 1.469 8.303 0.595) 8.453 8.815 ( 2.599 2.409 4.019) 5.358 8.950 ( 4.747 -1.144 20.174) 20.756 9.042 ( 1.824 -3.045 0.550) 3.592 9.270 ( -12.319 -1.138 2.516) 12.625 9.384 ( -3.840 -10.842 7.874) 13.939 9.672 ( -5.268 4.783 4.572) 8.457 9.762 ( -4.897 -1.210 1.485) 5.258 9.868 ( -5.009 -1.383 4.315) 6.754 10.316 ( 0.493 -0.924 20.603) 20.630 10.391 ( 1.552 10.590 -0.617) 10.721 12.638 ( 1.292 1.862 -19.176) 19.310 12.887 ( 5.299 5.049 -4.939) 8.830 13.538 ( -2.448 -11.445 25.766) 28.300 14.922 ( 12.671 4.812 -13.934) 19.439 15.550 ( 4.520 0.100 -9.275) 10.318 15.879 ( 8.140 0.064 -12.276) 14.730 16.192 ( -8.553 -0.066 -8.581) 12.115 17.064 ( 2.456 0.281 3.424) 4.223 17.864 ( -4.811 -8.622 13.978) 17.114 18.659 ( 1.449 -1.812 5.852) 6.295======================= Grid point 248 (89/155) =======================q-point: (-0.30 0.30 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( 0.000 15.529 13.043) 20.280 1.913 ( 0.000 13.344 21.476) 25.284 2.528 ( -0.000 -12.886 0.414) 12.893 2.649 ( 0.000 15.033 16.899) 22.618 2.925 ( -0.000 -7.190 4.630) 8.552 3.173 ( -0.000 -8.629 -6.501) 10.804 3.241 ( 0.000 12.331 -0.362) 12.336 3.404 ( 0.000 9.320 0.955) 9.369 3.674 ( -0.000 -0.090 38.209) 38.210 3.708 ( -0.000 -3.464 -3.437) 4.879 4.154 ( 0.000 2.751 12.452) 12.752 4.207 ( 0.000 5.168 3.754) 6.387 4.486 ( 0.000 4.205 3.487) 5.463 5.503 ( 0.000 7.934 -11.470) 13.947 5.703 ( -0.000 -8.528 1.523) 8.663 5.996 ( -0.000 -14.829 -10.542) 18.195 6.409 ( -0.000 -26.655 -10.854) 28.780 7.008 ( 0.000 15.144 -8.309) 17.273 7.136 ( -0.000 -25.388 6.451) 26.195 8.257 ( -0.000 -0.116 0.629) 0.640 8.389 ( 0.000 7.272 -8.532) 11.210 8.487 ( 0.000 11.989 -0.796) 12.015 8.829 ( 0.000 2.674 3.860) 4.696 9.027 ( -0.000 -0.125 33.350) 33.350 9.088 ( -0.000 -4.908 -8.365) 9.699 9.129 ( 0.000 0.791 -6.807) 6.852 9.445 ( -0.000 -12.423 7.273) 14.395 9.538 ( 0.000 8.645 6.706) 10.941 9.764 ( -0.000 -6.433 2.043) 6.749 9.841 ( 0.000 0.769 2.612) 2.723 10.302 ( 0.000 14.233 -0.656) 14.248 10.326 ( -0.000 -0.173 23.250) 23.251 12.644 ( 0.000 0.127 -20.452) 20.453 12.878 ( 0.000 5.532 -2.043) 5.898 13.627 ( -0.000 -12.851 29.275) 31.972 15.004 ( 0.000 7.214 -16.890) 18.366 15.590 ( -0.000 -0.210 -8.007) 8.010 16.018 ( 0.000 0.049 -15.719) 15.719 16.029 ( -0.000 -0.013 -8.084) 8.084 17.098 ( 0.000 0.017 3.634) 3.634 17.896 ( -0.000 -12.057 17.246) 21.043 18.690 ( -0.000 -2.448 8.669) 9.008======================= Grid point 255 (90/155) =======================q-point: (-0.60 0.40 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.159 ( -14.234 -0.000 5.638) 15.310 2.188 ( -4.877 -0.000 15.554) 16.300 2.671 ( -20.850 -0.000 1.883) 20.935 2.733 ( 10.696 0.000 -1.279) 10.772 2.758 ( -1.520 -0.000 18.730) 18.792 2.969 ( 1.510 0.000 -1.264) 1.969 3.450 ( 3.704 0.000 3.192) 4.890 3.651 ( 3.275 0.000 2.694) 4.241 3.659 ( -1.534 -0.000 -7.612) 7.765 3.739 ( 1.286 0.000 -5.042) 5.203 4.157 ( -9.662 -0.000 14.119) 17.109 4.403 ( -10.980 -0.000 14.002) 17.794 5.112 ( -17.855 -0.000 15.656) 23.747 5.305 ( 8.370 0.000 1.461) 8.497 5.490 ( 5.733 0.000 -4.141) 7.073 5.920 ( -4.669 -0.000 -4.792) 6.690 5.933 ( -2.744 -0.000 -8.884) 9.298 6.516 ( 7.471 0.000 -0.734) 7.507 7.528 ( -11.243 -0.000 -0.828) 11.273 8.371 ( 11.922 0.000 -10.793) 16.082 8.720 ( 0.132 0.000 -4.403) 4.405 8.791 ( 0.495 0.000 8.827) 8.841 8.827 ( 6.957 0.000 16.039) 17.483 8.979 ( -34.897 -0.000 4.358) 35.168 9.050 ( -5.704 -0.000 3.991) 6.962 9.198 ( -2.188 -0.000 10.890) 11.107 9.528 ( -12.820 -0.000 9.685) 16.067 9.733 ( 3.936 0.000 0.884) 4.034 9.783 ( -5.254 -0.000 6.295) 8.199 10.168 ( -21.264 -0.000 2.217) 21.379 10.266 ( 2.093 0.000 17.144) 17.272 10.494 ( 0.324 0.000 -0.733) 0.801 12.614 ( 11.713 0.000 -20.057) 23.227 12.767 ( 11.077 0.000 -6.989) 13.097 13.519 ( -12.467 -0.000 16.507) 20.686 14.741 ( 11.904 0.000 -9.722) 15.370 15.433 ( 8.775 0.000 -11.545) 14.501 15.708 ( 11.964 0.000 -11.412) 16.534 16.290 ( -2.895 -0.000 -0.317) 2.912 17.059 ( -1.068 -0.000 1.469) 1.816 17.850 ( -4.652 -0.000 6.983) 8.391 18.608 ( 1.294 0.000 -0.163) 1.305======================= Grid point 257 (91/155) =======================q-point: (-0.50 0.40 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( -11.557 8.494 9.102) 16.987 2.118 ( -2.311 2.871 18.682) 19.042 2.349 ( -16.228 -8.768 0.700) 18.459 2.746 ( -1.113 -3.046 16.183) 16.505 2.893 ( 5.316 -0.057 0.624) 5.353 2.991 ( 1.832 -0.584 -2.941) 3.514 3.477 ( 1.885 5.650 3.812) 7.072 3.611 ( -1.406 3.880 -3.942) 5.707 3.665 ( -0.674 -0.037 -4.757) 4.805 3.833 ( -14.108 0.313 34.411) 37.192 3.919 ( 14.078 1.008 7.484) 15.976 4.424 ( 3.407 0.963 1.089) 3.705 4.744 ( -19.278 5.095 12.360) 23.459 5.465 ( 6.251 -5.535 0.296) 8.355 5.621 ( 5.538 -5.917 -6.282) 10.254 5.775 ( -5.061 7.715 -9.797) 13.458 5.939 ( -4.127 -12.932 -9.586) 16.618 6.662 ( 5.735 -6.444 3.211) 9.204 7.342 ( -7.849 3.614 -6.026) 10.535 8.445 ( -20.444 0.981 2.232) 20.588 8.526 ( 3.372 1.303 -12.003) 12.536 8.697 ( 2.829 7.867 -0.340) 8.367 8.833 ( 2.842 -1.344 5.065) 5.961 8.947 ( 5.201 0.986 17.822) 18.592 8.998 ( -1.611 -1.654 1.955) 3.025 9.180 ( -4.351 -7.030 13.483) 15.816 9.301 ( -10.459 -0.551 2.595) 10.790 9.683 ( -4.216 -0.986 0.440) 4.352 9.794 ( -1.620 2.415 2.716) 3.979 9.849 ( -10.352 -0.830 5.971) 11.980 10.302 ( 1.363 -0.600 20.599) 20.653 10.508 ( 1.999 3.724 -1.432) 4.463 12.660 ( -0.893 0.741 -20.987) 21.019 12.969 ( 9.112 4.002 -5.144) 11.203 13.381 ( -5.466 -6.453 27.693) 28.956 14.975 ( 13.273 1.627 -14.963) 20.068 15.553 ( 4.722 0.188 -10.634) 11.637 15.879 ( 8.109 -0.029 -11.192) 13.821 16.192 ( -8.484 0.024 -7.985) 11.650 17.067 ( 2.169 0.105 3.397) 4.032 17.772 ( -4.995 -2.795 15.144) 16.190 18.641 ( 1.721 -0.507 4.839) 5.161======================= Grid point 258 (92/155) =======================q-point: (-0.40 0.40 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 0.000 15.300 10.427) 18.515 2.062 ( 0.000 5.869 21.220) 22.017 2.303 ( -0.000 -14.197 1.349) 14.261 2.764 ( -0.000 -3.328 11.629) 12.096 2.893 ( 0.000 5.685 7.791) 9.645 3.052 ( -0.000 -5.659 -7.146) 9.115 3.429 ( 0.000 9.706 2.748) 10.087 3.555 ( 0.000 7.446 -2.731) 7.931 3.663 ( -0.000 -1.610 -5.529) 5.759 3.680 ( 0.000 0.461 39.991) 39.993 4.191 ( 0.000 1.668 12.938) 13.045 4.291 ( 0.000 4.960 3.497) 6.069 4.548 ( 0.000 3.318 5.165) 6.139 5.575 ( -0.000 -6.875 0.613) 6.902 5.638 ( 0.000 8.554 -12.178) 14.882 5.770 ( -0.000 -11.585 -7.945) 14.047 6.027 ( -0.000 -19.443 -10.307) 22.006 6.807 ( -0.000 -14.733 5.928) 15.881 7.212 ( 0.000 9.284 -8.830) 12.812 8.254 ( -0.000 -0.209 2.091) 2.101 8.508 ( 0.000 6.593 -11.378) 13.150 8.666 ( 0.000 10.060 -0.193) 10.062 8.868 ( 0.000 1.492 3.124) 3.462 8.987 ( -0.000 -5.028 -5.582) 7.512 9.038 ( -0.000 -0.416 31.366) 31.369 9.127 ( -0.000 -1.729 0.530) 1.808 9.263 ( -0.000 -8.543 6.379) 10.662 9.659 ( 0.000 5.860 7.879) 9.820 9.673 ( -0.000 -4.399 -1.249) 4.573 9.837 ( -0.000 -0.872 3.121) 3.240 10.319 ( -0.000 -0.537 22.107) 22.113 10.482 ( 0.000 7.607 -1.823) 7.823 12.646 ( 0.000 0.054 -20.733) 20.733 12.987 ( 0.000 7.650 -0.776) 7.689 13.423 ( -0.000 -11.811 28.692) 31.028 15.090 ( 0.000 3.466 -18.218) 18.545 15.592 ( 0.000 0.371 -9.709) 9.716 16.019 ( 0.000 0.031 -15.719) 15.719 16.030 ( 0.000 0.067 -6.304) 6.304 17.098 ( 0.000 0.010 3.598) 3.598 17.753 ( -0.000 -5.687 18.941) 19.776 18.664 ( -0.000 -0.932 6.963) 7.025======================= Grid point 268 (93/155) =======================q-point: ( 0.50 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( 0.000 0.000 10.738) 10.738 2.110 ( 0.000 0.000 19.010) 19.010 2.141 ( -0.000 -0.000 0.379) 0.379 2.723 ( -0.000 -0.000 17.005) 17.005 2.948 ( 0.000 0.000 3.521) 3.521 3.004 ( 0.000 0.000 -7.071) 7.071 3.518 ( -0.000 -0.000 4.710) 4.710 3.601 ( -0.000 -0.000 -5.172) 5.172 3.665 ( 0.000 0.000 -5.561) 5.561 3.684 ( 0.000 0.000 40.429) 40.429 4.205 ( 0.000 0.000 13.189) 13.189 4.339 ( 0.000 0.000 2.894) 2.894 4.581 ( -0.000 -0.000 5.941) 5.941 5.509 ( 0.000 0.000 -0.426) 0.426 5.670 ( 0.000 0.000 -6.132) 6.132 5.787 ( -0.000 -0.000 -12.288) 12.288 5.789 ( 0.000 0.000 -10.422) 10.422 6.682 ( 0.000 0.000 5.848) 5.848 7.290 ( 0.000 0.000 -9.218) 9.218 8.252 ( 0.000 0.000 2.435) 2.435 8.570 ( 0.000 0.000 -13.024) 13.024 8.777 ( 0.000 0.000 -4.363) 4.363 8.866 ( 0.000 0.000 6.891) 6.891 8.935 ( 0.000 0.000 -7.484) 7.484 9.037 ( -0.000 -0.000 34.463) 34.463 9.087 ( -0.000 -0.000 6.613) 6.613 9.204 ( 0.000 0.000 3.823) 3.823 9.635 ( -0.000 -0.000 -2.931) 2.931 9.712 ( 0.000 0.000 8.856) 8.856 9.825 ( 0.000 0.000 2.529) 2.529 10.314 ( -0.000 -0.000 21.683) 21.683 10.544 ( 0.000 0.000 -2.090) 2.090 12.646 ( 0.000 0.000 -20.848) 20.848 13.079 ( 0.000 0.000 -5.810) 5.810 13.297 ( -0.000 -0.000 33.525) 33.525 15.118 ( 0.000 0.000 -18.455) 18.455 15.596 ( 0.000 0.000 -10.571) 10.571 16.019 ( 0.000 0.000 -15.719) 15.719 16.030 ( 0.000 0.000 -5.296) 5.296 17.098 ( 0.000 0.000 3.585) 3.585 17.708 ( 0.000 0.000 19.178) 19.178 18.657 ( 0.000 0.000 6.460) 6.460======================= Grid point 315 (94/155) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.292 ( 0.000 0.000 20.282) 20.282 1.365 ( 0.000 0.000 19.563) 19.563 2.379 ( 0.000 0.000 -17.492) 17.492 2.762 ( 0.000 0.000 -6.565) 6.565 2.899 ( 0.000 0.000 -3.335) 3.335 3.216 ( 0.000 0.000 41.399) 41.399 3.380 ( 0.000 0.000 -6.111) 6.111 3.723 ( 0.000 0.000 -1.199) 1.199 3.920 ( 0.000 0.000 2.657) 2.657 3.951 ( 0.000 0.000 6.919) 6.919 4.265 ( 0.000 0.000 14.774) 14.774 4.283 ( 0.000 0.000 -1.716) 1.716 4.380 ( 0.000 0.000 30.387) 30.387 5.083 ( 0.000 0.000 -10.846) 10.846 6.027 ( 0.000 0.000 -2.444) 2.444 6.163 ( 0.000 0.000 -11.151) 11.151 6.206 ( 0.000 0.000 -6.619) 6.619 7.202 ( 0.000 0.000 -6.331) 6.331 7.898 ( 0.000 0.000 -9.360) 9.360 8.018 ( 0.000 0.000 1.829) 1.829 8.325 ( 0.000 0.000 4.246) 4.246 8.672 ( 0.000 0.000 1.473) 1.473 8.784 ( 0.000 0.000 0.850) 0.850 8.891 ( 0.000 0.000 -5.633) 5.633 8.945 ( 0.000 0.000 -6.950) 6.950 9.051 ( 0.000 0.000 -8.450) 8.450 9.365 ( 0.000 0.000 2.531) 2.531 9.816 ( 0.000 0.000 0.415) 0.415 9.859 ( 0.000 0.000 43.668) 43.668 10.025 ( 0.000 0.000 4.495) 4.495 10.238 ( 0.000 0.000 7.045) 7.045 10.839 ( 0.000 0.000 31.476) 31.476 12.160 ( 0.000 0.000 -29.143) 29.143 12.476 ( 0.000 0.000 -19.529) 19.529 14.407 ( 0.000 0.000 16.226) 16.226 14.730 ( 0.000 0.000 9.966) 9.966 15.426 ( 0.000 0.000 -11.368) 11.368 15.728 ( 0.000 0.000 -12.936) 12.936 15.903 ( 0.000 0.000 -8.126) 8.126 17.153 ( 0.000 0.000 2.051) 2.051 18.391 ( 0.000 0.000 -1.536) 1.536 19.136 ( 0.000 0.000 3.471) 3.471======================= Grid point 316 (95/155) =======================q-point: ( 0.10 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( 6.573 -10.104 18.506) 22.085 1.657 ( 27.400 -2.812 16.162) 31.936 2.414 ( 1.173 -6.078 -16.440) 17.567 2.813 ( 6.262 1.166 -2.882) 6.991 2.895 ( -1.028 -1.420 -3.484) 3.900 3.267 ( 6.424 3.120 29.800) 30.644 3.415 ( 4.973 3.974 -0.969) 6.439 3.662 ( -4.225 2.848 0.736) 5.148 3.850 ( -5.594 2.754 1.847) 6.503 3.924 ( -4.887 -1.176 6.634) 8.324 4.230 ( -4.133 1.076 3.147) 5.305 4.360 ( 6.594 -7.885 11.631) 15.522 4.531 ( 15.329 -0.349 27.130) 31.163 5.105 ( 1.788 -2.314 -10.867) 11.253 5.987 ( -1.957 4.434 -1.602) 5.105 6.094 ( -5.703 3.197 -10.605) 12.458 6.240 ( -0.642 -8.077 -5.791) 9.959 7.032 ( -12.438 7.357 -5.857) 15.592 7.988 ( 7.255 -1.048 -11.174) 13.364 8.157 ( 11.692 -1.603 1.642) 11.915 8.433 ( 8.780 4.965 2.413) 10.372 8.460 ( -3.702 10.857 0.039) 11.470 8.834 ( 1.010 3.610 -0.952) 3.867 8.916 ( 2.769 3.660 -2.939) 5.450 9.055 ( 9.993 -1.998 -7.414) 12.603 9.179 ( 6.660 -17.326 -1.131) 18.596 9.477 ( 8.060 -6.101 3.299) 10.634 9.826 ( 3.071 3.637 6.884) 8.370 9.892 ( 3.774 -1.448 34.597) 34.833 10.065 ( 4.161 -1.122 4.084) 5.938 10.186 ( -3.481 4.046 5.716) 7.820 10.827 ( -1.882 -0.852 30.517) 30.587 12.139 ( -2.625 -0.093 -27.339) 27.465 12.455 ( -2.840 -1.020 -19.834) 20.062 14.322 ( -8.126 0.683 17.888) 19.659 14.701 ( -3.849 -0.952 8.884) 9.729 15.376 ( -5.888 -0.438 -11.330) 12.776 15.599 ( -9.812 0.609 -14.484) 17.506 16.060 ( 12.853 0.949 -6.760) 14.553 17.105 ( -4.506 -0.066 2.063) 4.956 18.332 ( -5.390 2.149 -2.706) 6.402 19.071 ( -5.622 3.538 2.912) 7.253======================= Grid point 317 (96/155) =======================q-point: ( 0.20 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( 10.570 -15.647 15.026) 24.132 2.190 ( 27.073 -2.114 13.813) 30.467 2.514 ( 2.164 -11.008 -13.400) 17.476 2.873 ( -1.936 -1.419 -2.871) 3.742 2.985 ( 13.727 0.387 -1.384) 13.802 3.340 ( 5.463 7.954 5.310) 11.014 3.451 ( 2.650 5.668 18.221) 19.265 3.573 ( -3.519 0.717 -2.725) 4.508 3.701 ( -7.906 3.569 0.264) 8.678 3.813 ( -3.978 7.213 6.064) 10.229 4.115 ( -7.455 2.371 1.164) 7.909 4.606 ( 10.146 -15.030 10.363) 20.887 4.888 ( 23.851 0.107 25.394) 34.839 5.198 ( 4.533 -7.623 -9.145) 12.740 5.895 ( -3.950 7.647 0.256) 8.610 5.944 ( -5.729 4.750 -8.052) 10.965 6.298 ( -1.822 -10.932 -3.787) 11.712 6.742 ( -12.454 7.024 -5.109) 15.184 8.075 ( 1.374 1.262 -11.837) 11.983 8.234 ( -3.022 16.221 0.085) 16.501 8.367 ( 10.706 1.507 2.003) 10.996 8.660 ( 8.055 -2.884 -6.097) 10.506 8.834 ( 1.642 -0.771 2.777) 3.317 8.917 ( 2.868 8.447 1.088) 8.987 9.308 ( 15.055 -5.054 -5.086) 16.675 9.459 ( 7.120 -16.262 2.939) 17.994 9.692 ( 13.601 -1.362 8.985) 16.357 9.913 ( 10.253 2.301 15.977) 19.123 9.996 ( 4.749 -1.426 23.248) 23.771 10.091 ( 0.180 3.973 2.426) 4.659 10.212 ( 11.258 -1.946 1.542) 11.529 10.783 ( -3.631 -0.100 27.773) 28.010 12.055 ( -7.684 -0.495 -22.778) 24.044 12.394 ( -5.299 -1.380 -19.748) 20.493 14.167 ( -6.905 1.685 17.032) 18.455 14.617 ( -6.130 -0.736 5.836) 8.496 15.228 ( -11.404 -0.605 -11.600) 16.278 15.401 ( -12.311 0.992 -17.598) 21.500 16.272 ( 11.322 0.474 -0.594) 11.347 17.041 ( -1.983 -0.324 0.256) 2.026 18.184 ( -8.578 2.842 -5.193) 10.422 18.893 ( -10.061 5.120 0.132) 11.289======================= Grid point 318 (97/155) =======================q-point: ( 0.30 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( 11.696 -17.671 12.072) 24.389 2.573 ( 15.918 -0.594 13.455) 20.851 2.661 ( 2.987 -13.615 -8.264) 16.205 2.839 ( -3.591 -2.346 -1.789) 4.648 3.227 ( 7.625 7.493 -5.453) 12.001 3.333 ( 4.770 6.557 1.292) 8.211 3.433 ( 3.591 6.170 15.522) 17.085 3.507 ( -5.037 -0.076 1.303) 5.203 3.538 ( -6.676 2.802 -2.398) 7.627 3.709 ( 2.355 11.923 0.687) 12.172 3.947 ( -8.348 2.507 -2.003) 8.944 4.927 ( 10.068 -18.073 9.488) 22.760 5.250 ( 11.913 -2.397 7.320) 14.186 5.433 ( 16.718 -8.192 8.188) 20.338 5.728 ( -5.591 8.130 -0.432) 9.876 5.850 ( -0.138 8.175 0.732) 8.209 6.346 ( -2.474 -9.878 -1.558) 10.301 6.512 ( -8.404 3.949 -3.686) 9.991 7.997 ( -8.993 1.034 -10.568) 13.915 8.099 ( 2.441 14.240 2.950) 14.746 8.500 ( 6.895 3.815 1.726) 8.067 8.707 ( -3.559 -1.363 -5.647) 6.812 8.848 ( -2.312 -2.200 -0.322) 3.208 8.918 ( 4.811 7.936 0.115) 9.281 9.550 ( 3.502 -5.635 0.400) 6.647 9.650 ( 2.772 -8.998 1.992) 9.624 10.004 ( 14.240 -4.322 9.729) 17.779 10.056 ( 15.370 3.930 16.240) 22.703 10.143 ( 11.764 -0.767 18.881) 22.259 10.238 ( 16.168 -2.271 14.488) 21.828 10.494 ( 18.738 -0.963 -1.116) 18.796 10.707 ( -3.658 1.413 21.906) 22.254 11.866 ( -14.133 -0.020 -18.010) 22.893 12.272 ( -10.897 -1.444 -16.146) 19.533 14.091 ( 1.099 3.056 9.225) 9.780 14.522 ( -4.381 -0.390 -0.067) 4.399 14.996 ( -15.472 -1.189 -12.546) 19.954 15.150 ( -15.148 1.050 -18.654) 24.053 16.449 ( 9.423 -0.108 7.179) 11.846 17.044 ( 0.975 -0.575 -0.840) 1.410 18.005 ( -8.958 2.414 -7.633) 12.014 18.662 ( -10.778 4.721 -6.057) 13.234======================= Grid point 319 (98/155) =======================q-point: ( 0.40 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.334 ( 10.679 -16.167 9.913) 21.764 2.777 ( -0.731 -0.654 3.178) 3.326 2.812 ( 6.810 -2.722 6.676) 9.917 2.824 ( 2.865 -11.074 1.193) 11.500 3.120 ( -3.417 13.104 3.335) 13.947 3.279 ( -4.980 3.054 0.898) 5.911 3.374 ( -6.548 0.377 -0.984) 6.632 3.456 ( -3.844 -1.581 -1.818) 4.537 3.483 ( 6.141 18.968 -4.226) 20.380 3.743 ( 3.031 1.465 0.793) 3.459 3.852 ( 1.891 -1.107 -5.938) 6.329 5.213 ( 5.059 -17.571 6.480) 19.399 5.390 ( 3.238 -2.296 0.170) 3.973 5.591 ( -1.157 6.318 1.111) 6.518 5.707 ( 1.929 3.095 5.218) 6.366 5.884 ( 13.915 2.392 17.895) 22.794 6.371 ( -1.052 -3.798 0.040) 3.942 6.387 ( -4.257 -0.596 -1.484) 4.547 7.817 ( -8.703 1.194 -7.364) 11.463 8.052 ( 1.821 7.769 4.190) 9.012 8.554 ( 2.178 1.998 0.908) 3.092 8.605 ( -5.779 1.036 0.196) 5.874 8.850 ( 0.420 -1.540 -7.824) 7.985 8.920 ( 1.725 5.080 -0.516) 5.390 9.561 ( -2.163 -1.137 0.460) 2.487 9.709 ( -0.612 -3.421 0.545) 3.518 10.213 ( 6.328 -8.355 8.062) 13.223 10.312 ( 8.710 -2.599 35.244) 36.397 10.353 ( 9.945 0.178 24.240) 26.202 10.566 ( -0.371 5.214 16.163) 16.987 10.665 ( 22.184 -2.470 4.291) 22.730 10.964 ( 30.339 0.009 -4.158) 30.623 11.566 ( -18.745 1.795 -13.341) 23.078 12.003 ( -21.706 -1.450 -9.643) 23.796 14.165 ( 10.253 3.800 -1.444) 11.030 14.491 ( 0.307 -0.433 -8.120) 8.138 14.727 ( -15.912 -2.914 -12.717) 20.577 14.873 ( -14.374 1.597 -17.517) 22.716 16.617 ( 9.417 -0.261 12.928) 15.996 17.041 ( -2.619 -0.410 1.682) 3.139 17.855 ( -5.610 1.376 -9.856) 11.424 18.472 ( -6.668 2.801 -13.730) 15.518======================= Grid point 320 (99/155) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.557 ( 0.000 -0.000 5.257) 5.257 2.716 ( 0.000 -0.000 11.601) 11.601 2.876 ( 0.000 0.000 1.490) 1.490 2.967 ( 0.000 -0.000 7.103) 7.103 2.999 ( -0.000 -0.000 6.704) 6.704 3.197 ( 0.000 0.000 -2.582) 2.582 3.312 ( 0.000 -0.000 -6.813) 6.813 3.404 ( 0.000 0.000 4.166) 4.166 3.456 ( -0.000 -0.000 -11.120) 11.120 3.737 ( 0.000 0.000 -3.252) 3.252 3.919 ( 0.000 -0.000 -3.666) 3.666 5.347 ( 0.000 -0.000 -2.131) 2.131 5.413 ( 0.000 0.000 7.824) 7.824 5.563 ( 0.000 -0.000 2.582) 2.582 5.678 ( 0.000 -0.000 3.508) 3.508 6.034 ( 0.000 -0.000 21.051) 21.051 6.351 ( 0.000 0.000 -0.653) 0.653 6.381 ( -0.000 -0.000 1.042) 1.042 7.726 ( 0.000 -0.000 -6.196) 6.196 8.036 ( 0.000 -0.000 4.673) 4.673 8.536 ( 0.000 0.000 1.856) 1.856 8.569 ( 0.000 -0.000 -0.934) 0.934 8.865 ( 0.000 -0.000 -10.361) 10.361 8.910 ( 0.000 0.000 0.849) 0.849 9.544 ( 0.000 -0.000 -0.257) 0.257 9.714 ( 0.000 -0.000 0.313) 0.313 10.342 ( 0.000 0.000 17.208) 17.208 10.394 ( 0.000 -0.000 31.812) 31.812 10.408 ( 0.000 0.000 27.123) 27.123 10.522 ( 0.000 0.000 13.961) 13.961 11.012 ( -0.000 -0.000 -5.614) 5.614 11.254 ( 0.000 -0.000 -5.257) 5.257 11.524 ( -0.000 -0.000 -3.145) 3.145 11.557 ( 0.000 0.000 -8.294) 8.294 14.327 ( -0.000 -0.000 -7.047) 7.047 14.430 ( 0.000 0.000 -12.277) 12.277 14.655 ( 0.000 -0.000 -14.836) 14.836 14.658 ( -0.000 0.000 -13.511) 13.511 16.729 ( -0.000 -0.000 17.908) 17.908 16.992 ( 0.000 -0.000 0.687) 0.687 17.800 ( 0.000 -0.000 -10.729) 10.729 18.400 ( 0.000 -0.000 -17.383) 17.383======================= Grid point 327 (100/155) =======================q-point: ( 0.10 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.519 ( 11.433 0.000 16.531) 20.099 2.174 ( 28.650 0.000 14.146) 31.952 2.419 ( 2.116 0.000 -14.627) 14.779 2.859 ( -2.325 -0.000 -3.147) 3.913 2.991 ( 14.163 0.000 -0.158) 14.163 3.404 ( 6.442 0.000 12.076) 13.687 3.510 ( 2.117 0.000 10.633) 10.841 3.560 ( -7.362 -0.000 -0.854) 7.411 3.731 ( -8.757 -0.000 0.278) 8.762 3.899 ( 1.610 0.000 2.748) 3.184 4.163 ( -4.613 -0.000 2.975) 5.490 4.441 ( 7.541 0.000 11.609) 13.844 4.890 ( 24.709 0.000 25.701) 35.652 5.130 ( 2.570 0.000 -10.492) 10.803 5.973 ( -6.227 -0.000 -2.978) 6.902 5.985 ( -2.871 -0.000 -5.781) 6.454 6.187 ( -1.585 -0.000 -2.964) 3.361 6.796 ( -15.557 -0.000 -4.695) 16.250 8.078 ( 1.253 0.000 -13.289) 13.348 8.368 ( -0.732 -0.000 -0.028) 0.733 8.410 ( 8.383 0.000 -0.605) 8.405 8.632 ( 7.549 0.000 -5.679) 9.447 8.818 ( -0.062 -0.000 4.978) 4.978 9.149 ( 5.141 0.000 -1.549) 5.369 9.163 ( 9.974 0.000 5.073) 11.190 9.252 ( 12.543 0.000 -3.551) 13.036 9.683 ( 17.680 0.000 6.053) 18.688 9.954 ( 8.002 0.000 1.606) 8.162 9.964 ( 6.369 0.000 44.690) 45.142 10.131 ( -2.782 -0.000 2.335) 3.632 10.195 ( 11.791 0.000 -3.012) 12.170 10.781 ( -2.997 -0.000 27.826) 27.987 12.051 ( -7.669 -0.000 -22.084) 23.378 12.383 ( -5.069 -0.000 -19.746) 20.387 14.180 ( -6.705 -0.000 16.428) 17.743 14.610 ( -5.778 -0.000 5.910) 8.265 15.221 ( -11.533 -0.000 -11.785) 16.489 15.411 ( -12.318 -0.000 -17.133) 21.101 16.276 ( 10.894 0.000 -0.269) 10.898 17.039 ( -2.044 -0.000 0.295) 2.065 18.208 ( -9.183 -0.000 -5.805) 10.864 18.938 ( -10.725 -0.000 -1.158) 10.787======================= Grid point 328 (101/155) =======================q-point: ( 0.20 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.772 ( 12.888 -8.025 13.510) 20.323 2.484 ( 2.758 -5.749 -10.854) 12.589 2.576 ( 17.036 -0.206 14.953) 22.669 2.813 ( -3.350 -0.840 -2.476) 4.249 3.291 ( 16.166 1.463 -6.119) 17.347 3.419 ( -5.837 3.040 -0.472) 6.598 3.478 ( -0.005 -0.114 14.997) 14.997 3.506 ( 1.256 1.501 2.134) 2.896 3.565 ( -8.300 0.027 -0.737) 8.333 3.908 ( 1.128 6.710 -1.131) 6.897 4.052 ( -3.551 9.921 3.717) 11.174 4.646 ( 8.654 -13.884 9.175) 18.757 5.195 ( 3.985 -3.001 -7.167) 8.732 5.355 ( 25.032 -1.814 21.389) 32.976 5.829 ( -5.829 3.631 -2.574) 7.334 5.964 ( 1.187 5.664 1.587) 6.001 6.183 ( -2.745 -8.145 -0.475) 8.608 6.542 ( -12.335 0.386 -4.219) 13.042 8.008 ( -8.284 0.379 -10.700) 13.538 8.266 ( -3.393 5.009 -1.509) 6.236 8.601 ( 10.673 6.510 3.205) 12.906 8.691 ( -0.967 -0.543 -6.192) 6.291 8.810 ( -1.866 -2.206 -0.134) 2.893 9.126 ( 5.946 16.562 1.788) 17.688 9.406 ( 4.000 -13.620 4.005) 14.749 9.466 ( 6.015 -8.668 -0.490) 10.562 9.970 ( 7.746 -0.322 4.640) 9.035 10.098 ( 9.991 1.086 37.402) 38.728 10.133 ( 15.366 -0.434 15.194) 21.614 10.225 ( 16.725 0.121 4.706) 17.375 10.482 ( 20.706 -0.452 -5.145) 21.341 10.722 ( -3.361 0.466 22.817) 23.068 11.866 ( -13.392 -0.016 -16.315) 21.107 12.255 ( -10.731 -0.563 -16.162) 19.409 14.125 ( 1.520 1.092 8.677) 8.877 14.517 ( -4.297 -0.192 -0.159) 4.304 14.978 ( -16.274 -0.725 -12.107) 20.296 15.166 ( -14.974 0.651 -18.659) 23.933 16.448 ( 9.216 -0.009 7.399) 11.819 17.038 ( 1.016 -0.187 -0.849) 1.337 18.032 ( -9.864 0.885 -8.536) 13.075 18.721 ( -12.150 2.054 -7.244) 14.293======================= Grid point 329 (102/155) =======================q-point: ( 0.30 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.079 ( 11.966 -13.097 10.911) 20.827 2.599 ( 2.291 -10.978 -5.430) 12.461 2.761 ( -3.106 -1.035 -1.498) 3.600 2.823 ( 12.354 0.594 13.321) 18.178 3.273 ( -8.821 1.562 -0.109) 8.959 3.331 ( -4.883 6.494 2.842) 8.608 3.398 ( -3.819 1.904 2.033) 4.727 3.434 ( -4.049 -0.756 -2.975) 5.081 3.724 ( 12.875 3.971 0.462) 13.481 3.856 ( 0.419 2.512 -4.967) 5.582 3.877 ( -3.707 17.324 0.459) 17.722 4.919 ( 6.753 -17.567 6.501) 19.912 5.297 ( 3.112 -6.447 -4.719) 8.574 5.702 ( 6.233 4.988 6.456) 10.267 5.746 ( 4.715 2.841 10.904) 12.214 5.957 ( 5.714 5.597 9.870) 12.704 6.217 ( -2.549 -10.876 1.672) 11.295 6.380 ( -6.495 -2.041 -3.686) 7.742 7.833 ( -9.441 0.712 -7.245) 11.922 8.174 ( -2.458 5.724 1.210) 6.346 8.593 ( -5.744 1.023 2.579) 6.379 8.680 ( 4.220 8.774 -0.889) 9.777 8.832 ( 2.032 -0.874 -8.174) 8.468 9.081 ( 2.947 14.104 1.354) 14.472 9.488 ( -2.776 -6.960 1.557) 7.653 9.597 ( 0.521 -10.753 1.126) 10.824 10.104 ( 7.285 -4.329 5.563) 10.136 10.267 ( 7.336 -2.187 42.311) 42.998 10.369 ( 10.684 1.002 20.494) 23.133 10.603 ( 18.462 -0.966 2.950) 18.722 10.655 ( 1.304 1.723 13.775) 13.944 10.969 ( 32.995 0.338 -3.569) 33.190 11.586 ( -18.096 0.681 -10.978) 21.177 11.983 ( -21.542 -0.904 -9.495) 23.559 14.219 ( 10.414 2.572 -1.808) 10.878 14.484 ( 0.142 -0.392 -8.448) 8.458 14.683 ( -17.374 -2.190 -11.609) 21.010 14.896 ( -14.261 1.089 -17.969) 22.966 16.614 ( 9.533 -0.085 12.880) 16.024 17.036 ( -2.205 -0.187 1.539) 2.696 17.873 ( -6.752 0.781 -10.452) 12.467 18.514 ( -8.657 2.092 -14.341) 16.882======================= Grid point 330 (103/155) =======================q-point: ( 0.40 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( 9.529 -14.858 8.404) 19.550 2.681 ( -3.757 -5.978 5.122) 8.722 2.767 ( 2.280 -6.406 -1.861) 7.050 3.015 ( 10.258 2.007 9.410) 14.065 3.082 ( -11.222 0.582 0.702) 11.259 3.170 ( -5.250 6.569 3.786) 9.222 3.336 ( -2.190 0.640 3.357) 4.059 3.387 ( -1.280 0.618 -8.039) 8.163 3.661 ( -4.332 16.170 -4.744) 17.399 3.755 ( 0.350 2.803 -3.775) 4.715 3.931 ( 3.020 1.769 -3.539) 4.977 5.145 ( 3.992 -14.997 3.441) 15.897 5.404 ( 2.858 -7.061 -1.939) 7.860 5.641 ( -1.367 9.964 5.816) 11.618 5.752 ( -1.032 5.810 6.409) 8.712 6.041 ( 0.648 0.659 18.557) 18.580 6.248 ( -3.659 -9.722 2.400) 10.661 6.352 ( -0.144 -4.503 -2.235) 5.029 7.725 ( -1.209 -0.040 -6.205) 6.322 8.079 ( -3.746 4.266 3.911) 6.894 8.527 ( -0.489 -0.430 2.010) 2.113 8.651 ( 0.933 8.384 -1.367) 8.546 8.865 ( 1.361 0.726 -8.114) 8.260 9.008 ( 0.684 10.977 0.779) 11.026 9.489 ( -2.221 -6.196 -0.010) 6.582 9.669 ( 0.391 -6.077 0.478) 6.108 10.278 ( 7.156 -5.565 11.316) 14.500 10.351 ( -0.152 -2.195 36.858) 36.924 10.459 ( 1.396 2.748 30.157) 30.314 10.566 ( -3.463 3.996 10.868) 12.085 11.010 ( 13.977 -0.331 -7.232) 15.741 11.245 ( -13.557 -0.978 -3.996) 14.168 11.518 ( -24.245 -0.604 -4.675) 24.699 11.562 ( 25.495 0.494 -6.387) 26.288 14.319 ( -12.552 -0.819 -8.335) 15.090 14.443 ( 9.036 1.309 -10.917) 14.231 14.619 ( 7.438 -2.249 -13.496) 15.573 14.687 ( -6.102 1.526 -14.842) 16.120 16.731 ( 0.543 0.195 17.753) 17.762 16.992 ( 0.230 0.044 0.698) 0.736 17.799 ( -1.238 -0.077 -10.657) 10.729 18.404 ( -2.314 0.436 -17.531) 17.689======================= Grid point 331 (104/155) =======================q-point: (-0.50 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.518 ( -5.533 3.777 7.229) 9.856 2.717 ( 4.296 -10.109 9.562) 14.563 2.794 ( -7.301 -3.031 7.394) 10.824 2.909 ( -3.007 1.377 -1.851) 3.790 3.116 ( 3.779 9.005 3.555) 10.393 3.125 ( -0.825 -10.180 0.671) 10.236 3.303 ( -3.042 -3.365 3.335) 5.630 3.394 ( 4.467 2.058 -8.100) 9.476 3.519 ( -0.659 5.713 -5.826) 8.186 3.744 ( -1.886 1.371 1.040) 2.553 3.889 ( -1.939 3.530 -6.161) 7.360 5.308 ( 2.408 -10.164 2.347) 10.706 5.472 ( -3.490 13.843 6.182) 15.557 5.510 ( -1.172 -6.058 1.957) 6.473 5.678 ( -3.175 0.853 5.696) 6.577 5.895 ( -14.176 3.227 16.037) 21.646 6.274 ( -1.626 -9.840 0.259) 9.977 6.414 ( 3.054 -2.869 -1.637) 4.499 7.797 ( 7.841 -1.160 -7.634) 11.005 7.977 ( -6.163 -0.885 5.658) 8.413 8.561 ( 0.124 1.496 -0.997) 1.802 8.620 ( 5.304 3.638 2.194) 6.795 8.870 ( 0.365 0.923 -7.569) 7.634 8.937 ( -0.382 7.048 0.915) 7.118 9.521 ( 0.311 -5.644 0.605) 5.685 9.720 ( 1.547 -2.225 -0.620) 2.780 10.301 ( -6.680 -0.730 25.674) 26.539 10.345 ( -7.172 4.053 14.299) 16.503 10.407 ( -8.098 5.761 24.550) 26.486 10.474 ( 1.043 -4.595 17.327) 17.956 10.696 ( -27.407 0.837 7.562) 28.443 10.974 ( -26.444 1.331 -5.230) 26.989 11.526 ( 20.517 -3.059 -15.709) 26.021 12.027 ( 21.907 1.430 -9.836) 24.057 14.104 ( -10.748 -3.559 -1.493) 11.420 14.497 ( -0.755 0.318 -7.459) 7.504 14.764 ( 13.309 1.242 -14.808) 19.949 14.853 ( 16.110 -0.396 -15.932) 22.660 16.622 ( -9.346 0.419 12.824) 15.874 17.049 ( 3.203 0.535 1.869) 3.747 17.831 ( 4.147 -1.500 -8.917) 9.948 18.431 ( 4.480 -2.119 -13.454) 14.338======================= Grid point 332 (105/155) =======================q-point: (-0.40 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.278 ( -10.548 15.220 10.257) 21.169 2.579 ( -14.112 0.404 13.307) 19.401 2.841 ( 1.624 2.756 -1.358) 3.475 2.904 ( -0.647 3.729 -4.407) 5.809 3.081 ( 1.242 -2.763 -2.575) 3.976 3.209 ( -7.752 -13.017 3.057) 15.456 3.269 ( -3.298 -6.475 7.932) 10.757 3.497 ( 5.692 -0.470 -6.707) 8.809 3.514 ( 1.577 -0.393 -4.239) 4.539 3.642 ( -1.052 1.753 10.524) 10.721 3.942 ( 8.571 1.239 -5.344) 10.176 5.194 ( -11.879 14.293 10.931) 21.561 5.269 ( -15.836 0.294 14.967) 21.791 5.584 ( 0.989 -6.695 5.037) 8.437 5.595 ( -7.776 8.408 -2.426) 11.707 5.701 ( 1.178 -9.709 -0.091) 9.781 6.359 ( 1.883 -10.526 -2.373) 10.953 6.488 ( 4.654 2.039 -3.179) 5.994 7.883 ( -8.018 -9.954 6.220) 14.215 7.978 ( 9.335 -1.355 -10.778) 14.323 8.494 ( -3.921 2.980 0.103) 4.925 8.728 ( 4.811 0.999 -2.934) 5.723 8.881 ( -0.878 3.884 1.053) 4.119 8.884 ( 2.571 1.519 -1.307) 3.259 9.567 ( -1.969 -3.160 1.409) 3.980 9.742 ( -0.009 2.583 0.108) 2.586 9.971 ( -28.180 -5.324 14.154) 31.980 10.067 ( -20.537 0.732 8.618) 22.284 10.199 ( -6.044 7.193 10.386) 14.005 10.288 ( -12.252 2.828 22.640) 25.897 10.512 ( -14.620 1.523 4.409) 15.346 10.682 ( 1.833 -1.396 18.895) 19.035 11.866 ( 15.808 -0.080 -20.499) 25.886 12.299 ( 11.151 1.726 -16.143) 19.696 14.030 ( -1.171 -4.351 9.732) 10.725 14.528 ( 4.674 0.330 0.107) 4.687 15.004 ( 13.595 -0.440 -14.431) 19.831 15.144 ( 16.162 0.609 -17.300) 23.682 16.452 ( -9.619 0.312 6.964) 11.879 17.056 ( -0.931 0.876 -0.848) 1.534 17.958 ( 7.506 -3.140 -5.741) 9.958 18.583 ( 9.065 -4.657 -5.106) 11.399======================= Grid point 333 (106/155) =======================q-point: (-0.30 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( -11.399 17.178 12.228) 23.970 2.254 ( -20.806 6.275 13.973) 25.837 2.734 ( -2.170 14.239 -10.829) 18.020 2.879 ( -3.397 -1.778 -2.282) 4.462 3.005 ( -8.211 4.173 -3.573) 9.879 3.174 ( -2.815 -11.128 2.907) 11.841 3.293 ( -6.021 -13.696 11.416) 18.819 3.555 ( 3.332 0.065 5.200) 6.177 3.632 ( 6.767 -4.478 -0.971) 8.172 3.745 ( 9.881 -1.358 8.514) 13.113 4.109 ( 10.373 1.238 -1.401) 10.540 4.844 ( -14.728 12.466 11.462) 22.443 4.894 ( -21.844 2.029 24.614) 32.972 5.350 ( -7.423 10.467 -7.490) 14.858 5.754 ( 4.581 -9.578 0.753) 10.644 5.835 ( 5.563 -8.432 -7.399) 12.522 6.468 ( 4.233 4.726 -4.175) 7.595 6.574 ( 4.960 -9.675 -6.184) 12.508 7.867 ( -7.093 -20.188 4.735) 21.915 8.115 ( 4.227 -0.040 -12.471) 13.168 8.381 ( -5.888 3.759 1.582) 7.163 8.706 ( -7.816 2.543 -6.393) 10.413 8.841 ( -0.572 2.505 0.955) 2.741 8.885 ( -1.254 1.315 3.230) 3.706 9.349 ( -18.488 -0.788 -3.440) 18.822 9.642 ( -6.490 5.711 8.493) 12.119 9.712 ( -8.534 0.491 4.400) 9.613 9.872 ( -5.000 -5.324 8.150) 10.944 9.995 ( -7.614 1.346 13.362) 15.437 10.093 ( -7.669 4.811 11.676) 14.774 10.254 ( -9.598 3.507 6.205) 11.956 10.776 ( 4.713 -1.053 27.676) 28.095 12.067 ( 7.710 1.033 -24.547) 25.750 12.425 ( 6.110 2.359 -19.719) 20.778 14.121 ( 6.773 -4.204 18.535) 20.176 14.633 ( 7.208 1.279 5.455) 9.129 15.228 ( 10.843 -0.926 -12.276) 16.405 15.392 ( 12.393 0.270 -17.706) 21.614 16.265 ( -12.068 -0.222 -1.101) 12.120 17.049 ( 1.772 0.586 0.135) 1.871 18.121 ( 7.020 -4.686 -3.043) 8.972 18.794 ( 8.915 -6.480 2.096) 11.219======================= Grid point 334 (107/155) =======================q-point: (-0.20 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( -12.326 11.598 15.447) 22.914 1.794 ( -17.294 17.060 14.805) 28.448 2.589 ( -0.947 14.264 -14.202) 20.151 2.776 ( -6.973 -3.306 -2.614) 8.147 2.936 ( 0.695 3.475 -4.176) 5.477 3.174 ( -4.906 -7.546 22.122) 23.883 3.296 ( -4.244 -10.155 -1.229) 11.074 3.613 ( 2.361 -1.951 8.855) 9.370 3.774 ( 3.983 -5.972 1.427) 7.319 3.953 ( 12.337 2.066 6.993) 14.331 4.246 ( 6.330 2.736 4.210) 8.080 4.515 ( -11.957 8.460 11.128) 18.395 4.546 ( -14.202 3.095 25.320) 29.195 5.174 ( -4.459 5.943 -10.737) 13.058 5.885 ( 2.634 -7.610 -0.452) 8.066 6.006 ( 5.263 -7.609 -10.446) 13.954 6.431 ( 1.820 14.162 -6.559) 15.713 6.806 ( 5.997 -19.587 -7.303) 21.747 7.941 ( -4.293 -16.449 -0.620) 17.011 8.127 ( -3.287 -7.910 -6.949) 11.030 8.234 ( -5.779 6.211 1.080) 8.552 8.460 ( -12.516 1.575 2.361) 12.834 8.816 ( -0.414 1.145 1.582) 1.996 8.898 ( 2.304 -0.276 -6.866) 7.248 9.071 ( -11.823 0.355 -9.584) 15.224 9.440 ( -8.049 13.746 4.534) 16.562 9.631 ( 0.434 6.855 3.724) 7.813 9.764 ( -4.241 -0.744 10.507) 11.356 9.916 ( -6.527 2.081 24.397) 25.340 10.051 ( 1.784 -7.935 6.625) 10.490 10.121 ( -2.996 2.119 6.110) 7.127 10.843 ( 2.514 0.604 30.206) 30.316 12.142 ( 2.202 0.269 -27.887) 27.975 12.488 ( 3.419 3.005 -20.066) 20.576 14.293 ( 7.778 -3.314 20.579) 22.248 14.731 ( 5.095 2.679 7.596) 9.531 15.383 ( 5.917 -0.138 -10.633) 12.169 15.585 ( 9.943 -0.776 -15.555) 18.478 16.037 ( -13.944 -1.500 -7.846) 16.070 17.107 ( 4.303 0.174 2.000) 4.748 18.266 ( 4.352 -5.690 -0.846) 7.213 18.975 ( 5.027 -7.250 5.691) 10.499======================= Grid point 335 (108/155) =======================q-point: (-0.10 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( 0.000 4.688 18.557) 19.140 1.482 ( 0.000 21.075 17.526) 27.410 2.475 ( 0.000 11.311 -16.259) 19.806 2.740 ( -0.000 -2.834 -5.620) 6.294 2.920 ( 0.000 2.483 -3.811) 4.549 3.172 ( -0.000 -5.037 36.154) 36.504 3.322 ( -0.000 -6.810 -6.592) 9.477 3.663 ( -0.000 -4.394 6.511) 7.855 3.860 ( -0.000 -5.925 2.290) 6.352 4.046 ( 0.000 8.087 2.939) 8.604 4.281 ( 0.000 1.742 16.868) 16.958 4.337 ( 0.000 5.722 -0.469) 5.742 4.392 ( 0.000 1.500 28.781) 28.820 5.105 ( 0.000 2.615 -11.242) 11.542 5.965 ( -0.000 -6.066 -1.489) 6.246 6.111 ( -0.000 -5.618 -11.256) 12.580 6.333 ( 0.000 12.772 -7.281) 14.701 7.037 ( -0.000 -18.775 -7.268) 20.133 7.925 ( 0.000 1.515 -7.914) 8.058 8.092 ( 0.000 8.658 1.359) 8.764 8.258 ( -0.000 -20.367 2.246) 20.491 8.366 ( -0.000 -8.592 2.743) 9.019 8.801 ( 0.000 2.035 1.291) 2.410 8.945 ( 0.000 0.107 -7.152) 7.153 8.947 ( -0.000 -0.240 -12.720) 12.723 9.241 ( 0.000 15.118 2.224) 15.281 9.506 ( 0.000 16.018 -0.316) 16.021 9.783 ( -0.000 -3.969 0.673) 4.026 9.848 ( -0.000 -1.116 41.259) 41.274 10.048 ( 0.000 2.906 6.390) 7.019 10.166 ( -0.000 -8.175 6.896) 10.695 10.855 ( 0.000 1.458 31.172) 31.206 12.159 ( -0.000 -0.083 -29.233) 29.233 12.495 ( 0.000 2.365 -19.714) 19.856 14.392 ( -0.000 -2.020 18.377) 18.487 14.753 ( 0.000 2.773 8.698) 9.129 15.433 ( 0.000 0.533 -10.742) 10.756 15.728 ( 0.000 0.014 -12.947) 12.947 15.874 ( -0.000 -3.156 -9.609) 10.114 17.153 ( -0.000 -0.008 2.047) 2.047 18.351 ( -0.000 -4.772 -0.531) 4.801 19.077 ( -0.000 -6.467 5.612) 8.562======================= Grid point 338 (109/155) =======================q-point: ( 0.20 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( 12.446 0.000 11.311) 16.818 2.505 ( 2.382 0.000 -6.705) 7.115 2.752 ( -2.862 -0.000 -2.139) 3.573 2.828 ( 12.677 0.000 14.010) 18.894 3.277 ( -11.279 -0.000 -3.180) 11.719 3.385 ( -4.913 -0.000 15.590) 16.346 3.417 ( -1.625 -0.000 -5.290) 5.534 3.429 ( -4.334 -0.000 -6.329) 7.670 3.744 ( 13.086 0.000 0.080) 13.086 3.881 ( -2.566 -0.000 -0.851) 2.703 4.076 ( -3.233 -0.000 -0.927) 3.363 4.737 ( 9.072 0.000 7.057) 11.493 5.237 ( 3.021 0.000 -6.399) 7.077 5.729 ( 15.438 0.000 18.140) 23.820 5.792 ( -0.240 -0.000 2.472) 2.483 6.048 ( 4.634 0.000 7.975) 9.223 6.074 ( -4.610 -0.000 1.746) 4.930 6.356 ( -8.249 -0.000 -4.917) 9.603 7.839 ( -9.718 -0.000 -7.177) 12.081 8.220 ( -3.600 -0.000 0.209) 3.606 8.598 ( -7.058 -0.000 1.286) 7.174 8.798 ( 0.871 0.000 -11.991) 12.023 8.807 ( 8.158 0.000 3.988) 9.080 9.329 ( 3.567 0.000 2.508) 4.360 9.340 ( 0.405 0.000 6.705) 6.717 9.450 ( -2.313 -0.000 -2.959) 3.755 10.072 ( 6.933 0.000 4.390) 8.206 10.249 ( 6.970 0.000 44.052) 44.600 10.378 ( 10.966 0.000 19.699) 22.545 10.590 ( 21.494 0.000 -0.595) 21.503 10.672 ( -2.543 -0.000 16.033) 16.234 10.972 ( 33.903 0.000 -3.500) 34.083 11.591 ( -17.977 -0.000 -9.961) 20.552 11.976 ( -21.476 -0.000 -9.441) 23.460 14.241 ( 10.691 0.000 -2.030) 10.882 14.481 ( 0.124 0.000 -8.513) 8.514 14.664 ( -18.009 -0.000 -11.260) 21.239 14.905 ( -14.376 -0.000 -18.027) 23.058 16.613 ( 9.592 0.000 12.831) 16.020 17.035 ( -2.062 -0.000 1.487) 2.542 17.879 ( -7.176 -0.000 -10.634) 12.829 18.532 ( -9.476 -0.000 -14.677) 17.470======================= Grid point 339 (110/155) =======================q-point: ( 0.30 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.196 ( 10.459 -6.853 8.733) 15.252 2.557 ( 0.409 -5.291 0.264) 5.314 2.728 ( 0.474 -0.585 -3.070) 3.161 3.038 ( 9.478 0.920 9.771) 13.644 3.058 ( -11.232 -1.246 -0.341) 11.306 3.274 ( -6.123 2.815 12.536) 14.233 3.351 ( -4.436 1.448 0.229) 4.672 3.399 ( 0.378 0.358 -10.276) 10.289 3.771 ( -2.787 1.640 0.244) 3.242 3.872 ( -6.272 4.326 -5.278) 9.269 4.007 ( 3.557 6.831 -4.342) 8.841 4.934 ( 8.061 -8.797 4.522) 12.760 5.302 ( 2.525 -3.956 -3.346) 5.764 5.782 ( 0.012 5.420 5.988) 8.076 5.835 ( -0.216 4.886 12.268) 13.207 6.022 ( -2.177 -4.745 6.141) 8.060 6.121 ( -0.995 -2.792 10.973) 11.366 6.271 ( -2.887 -3.879 -5.108) 7.034 7.725 ( -1.957 -0.027 -6.190) 6.492 8.137 ( -5.143 2.153 3.549) 6.609 8.517 ( -1.221 -0.523 1.189) 1.783 8.781 ( -0.413 4.804 -9.298) 10.474 8.899 ( 3.767 3.374 1.792) 5.365 9.231 ( -0.056 14.714 3.324) 15.085 9.376 ( -3.223 -6.000 0.071) 6.812 9.512 ( 1.473 -12.224 -0.158) 12.313 10.211 ( 7.407 -2.117 9.085) 11.911 10.325 ( 0.905 -0.886 38.621) 38.642 10.490 ( 2.809 1.027 30.354) 30.501 10.619 ( -3.375 1.934 9.631) 10.387 11.002 ( 23.707 -0.450 -10.398) 25.891 11.231 ( -22.994 -0.541 -1.679) 23.061 11.510 ( -29.826 -0.293 -5.660) 30.359 11.569 ( 31.693 0.234 -4.795) 32.055 14.308 ( -17.110 -0.415 -9.758) 19.701 14.463 ( 11.728 0.862 -9.212) 14.939 14.590 ( 7.261 -1.132 -13.230) 15.134 14.704 ( -5.390 0.542 -15.258) 16.191 16.734 ( 0.882 0.120 17.502) 17.525 16.993 ( 0.368 0.027 0.716) 0.806 17.798 ( -1.995 -0.046 -10.542) 10.729 18.411 ( -3.759 0.268 -17.769) 18.164======================= Grid point 340 (111/155) =======================q-point: (-0.60 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.425 ( 6.232 -10.037 5.882) 13.197 2.588 ( -0.893 -5.669 6.247) 8.483 2.764 ( -2.728 -1.072 4.469) 5.345 2.857 ( -6.736 -4.379 -5.222) 9.582 3.116 ( -5.646 4.739 9.216) 11.801 3.226 ( 6.521 3.043 1.862) 7.433 3.278 ( -1.253 0.139 9.573) 9.656 3.421 ( 2.488 0.957 -11.348) 11.657 3.627 ( -8.318 6.025 -6.383) 12.093 3.780 ( -0.162 2.671 0.968) 2.845 3.969 ( -1.720 5.939 -6.208) 8.762 5.137 ( 6.398 -9.402 2.630) 11.672 5.388 ( 2.085 -6.784 -1.033) 7.172 5.665 ( -7.644 7.489 9.721) 14.458 5.715 ( -8.718 4.776 13.680) 16.910 5.959 ( -7.784 3.105 7.469) 11.226 6.101 ( -3.600 -9.524 2.377) 10.455 6.316 ( 2.197 -7.530 -3.725) 8.684 7.781 ( 7.297 -0.736 -8.023) 10.870 8.000 ( -8.403 2.429 5.886) 10.543 8.564 ( 4.307 -0.703 0.804) 4.438 8.725 ( 0.960 7.105 -2.679) 7.654 8.904 ( 0.921 3.769 -1.321) 4.099 9.107 ( -0.982 12.638 2.030) 12.838 9.400 ( -0.800 -8.458 0.622) 8.518 9.632 ( 2.643 -8.290 -1.041) 8.764 10.281 ( -7.880 -1.059 26.771) 27.927 10.329 ( 0.843 -3.549 16.516) 16.914 10.482 ( -4.866 3.677 22.614) 23.422 10.501 ( -4.683 4.522 13.345) 14.848 10.689 ( -32.816 -1.275 8.861) 34.015 11.002 ( -24.131 1.754 -5.405) 24.791 11.475 ( 23.434 -2.917 -17.319) 29.285 12.046 ( 22.076 0.872 -9.998) 24.250 14.056 ( -11.563 -2.132 -1.998) 11.926 14.502 ( -1.355 0.238 -6.719) 6.859 14.764 ( 11.547 -0.736 -16.262) 19.958 14.862 ( 17.719 0.995 -14.605) 22.984 16.629 ( -9.345 0.340 12.610) 15.699 17.057 ( 3.730 0.389 2.030) 4.265 17.810 ( 2.938 -0.975 -8.047) 8.622 18.406 ( 2.885 -0.995 -13.555) 13.895======================= Grid point 341 (112/155) =======================q-point: (-0.50 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.432 ( -8.296 3.051 7.617) 11.668 2.586 ( -11.113 0.360 12.087) 16.424 2.721 ( 5.237 -11.495 1.315) 12.700 2.907 ( 2.250 -1.193 -1.838) 3.141 3.021 ( -3.778 -5.667 3.258) 7.550 3.153 ( -9.623 0.125 1.850) 9.800 3.290 ( 1.139 9.653 3.554) 10.349 3.484 ( 3.894 -0.932 -9.981) 10.754 3.528 ( 2.202 1.605 -3.658) 4.561 3.709 ( -2.490 5.536 9.081) 10.923 3.975 ( 7.703 2.696 -6.151) 10.219 5.257 ( -7.279 -2.073 10.637) 13.055 5.342 ( -12.838 1.494 13.459) 18.660 5.507 ( -7.090 -0.642 10.513) 12.697 5.539 ( 2.253 -5.664 -2.291) 6.512 5.762 ( -8.283 8.992 -1.609) 12.331 6.148 ( -2.063 -13.650 -1.796) 13.921 6.448 ( 5.845 -6.514 -3.608) 9.467 7.804 ( -12.176 -0.508 6.259) 13.700 7.957 ( 10.213 -1.206 -10.844) 14.945 8.570 ( -1.719 4.682 -2.554) 5.603 8.760 ( 5.331 4.072 3.071) 7.378 8.908 ( 3.392 1.480 -0.630) 3.754 9.001 ( -0.668 9.735 1.679) 9.902 9.472 ( 0.250 -7.891 1.969) 8.136 9.732 ( 2.778 -3.602 -1.305) 4.732 9.897 ( -37.799 -3.479 9.526) 39.135 10.059 ( -22.141 -0.774 12.389) 25.383 10.285 ( -9.378 -0.573 24.135) 25.899 10.341 ( -5.891 6.496 5.214) 10.202 10.553 ( -7.419 3.343 12.471) 14.891 10.665 ( -4.022 -0.709 13.524) 14.127 11.864 ( 18.251 -0.232 -22.722) 29.145 12.324 ( 11.391 1.350 -16.158) 19.816 13.958 ( -2.343 -4.145 9.595) 10.712 14.532 ( 5.176 0.255 0.360) 5.195 14.987 ( 12.340 -1.306 -16.192) 20.400 15.164 ( 16.848 1.492 -15.735) 23.101 16.458 ( -9.654 0.402 6.918) 11.884 17.070 ( -0.915 0.833 -0.883) 1.520 17.910 ( 6.127 -2.614 -3.498) 7.524 18.520 ( 7.801 -2.961 -5.090) 9.774======================= Grid point 342 (113/155) =======================q-point: (-0.40 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.152 ( -16.633 8.275 9.603) 20.912 2.390 ( -8.501 8.804 15.042) 19.391 2.806 ( -7.210 -6.551 -3.915) 10.499 2.909 ( -0.667 6.387 -4.925) 8.093 3.005 ( -4.591 -8.177 2.329) 9.663 3.046 ( -3.180 -11.509 5.626) 13.200 3.177 ( -2.090 11.934 -3.525) 12.618 3.558 ( 2.811 -2.563 -7.701) 8.590 3.599 ( 6.326 3.379 11.892) 13.887 3.741 ( 9.706 0.433 8.613) 12.983 4.140 ( 11.877 2.317 -2.213) 12.301 4.893 ( -22.679 0.720 25.586) 34.198 5.061 ( -15.367 11.347 11.596) 22.347 5.518 ( -8.768 9.450 -5.953) 14.199 5.593 ( 4.175 -9.443 -0.130) 10.325 5.681 ( 4.605 -10.195 -5.865) 12.631 6.252 ( -0.777 -18.669 -5.530) 19.487 6.603 ( 7.937 0.469 -4.650) 9.211 7.608 ( -13.537 -9.856 5.345) 17.578 8.120 ( 6.470 0.360 -13.100) 14.615 8.481 ( -2.255 7.589 0.626) 7.942 8.754 ( -3.403 3.954 -3.452) 6.255 8.907 ( -5.867 3.692 5.135) 8.627 8.931 ( -1.163 5.425 0.353) 5.560 9.296 ( -17.032 -4.893 2.207) 17.858 9.621 ( -9.865 -6.703 5.151) 12.992 9.700 ( -5.510 -4.136 6.187) 9.260 9.792 ( -2.239 -1.396 0.399) 2.669 10.058 ( -13.065 4.921 16.000) 21.234 10.162 ( -9.963 2.239 13.827) 17.189 10.346 ( -5.296 7.598 3.780) 10.004 10.751 ( 5.256 -1.943 27.409) 27.976 12.087 ( 7.697 1.353 -26.694) 27.815 12.467 ( 7.695 2.643 -19.623) 21.243 14.032 ( 5.127 -6.496 19.809) 21.468 14.656 ( 8.794 1.477 4.807) 10.131 15.201 ( 10.123 -2.033 -14.415) 17.731 15.410 ( 12.485 1.642 -16.323) 20.616 16.267 ( -12.315 0.408 -1.088) 12.370 17.059 ( 1.414 0.659 -0.048) 1.561 18.043 ( 5.309 -4.604 0.288) 7.034 18.700 ( 8.243 -4.811 2.474) 9.860======================= Grid point 343 (114/155) =======================q-point: (-0.30 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( -17.447 8.721 12.945) 23.410 2.134 ( -6.166 20.638 13.766) 25.563 2.686 ( -7.912 -6.280 -2.399) 10.383 2.832 ( -0.778 11.281 -8.312) 14.034 2.988 ( -1.683 0.383 3.038) 3.494 3.090 ( -0.855 2.067 4.200) 4.758 3.107 ( -2.091 -12.047 -1.317) 12.298 3.604 ( 1.654 -0.266 6.070) 6.297 3.688 ( 3.350 -3.029 8.415) 9.551 3.984 ( 16.636 1.695 6.793) 18.049 4.301 ( 7.675 3.744 5.361) 10.083 4.555 ( -13.395 1.267 25.241) 28.603 4.690 ( -16.008 9.572 10.580) 21.443 5.287 ( -7.615 7.756 -10.587) 15.173 5.747 ( 3.331 -9.313 -0.428) 9.900 5.854 ( 4.490 -10.923 -9.110) 14.915 6.427 ( 0.729 -24.238 -7.964) 25.523 6.671 ( 4.699 12.250 -6.704) 14.733 7.547 ( -8.032 -24.144 4.987) 25.929 8.138 ( -2.414 3.473 -12.194) 12.906 8.377 ( -1.445 9.665 1.343) 9.865 8.495 ( -14.871 2.871 2.296) 15.318 8.841 ( 0.828 1.217 1.855) 2.368 8.904 ( 0.521 1.102 -6.445) 6.559 9.079 ( -11.341 1.373 -7.788) 13.825 9.576 ( 2.487 -7.175 8.124) 11.120 9.644 ( -7.412 10.571 6.154) 14.302 9.792 ( -0.227 -3.559 13.033) 13.512 9.907 ( -1.351 -5.912 5.049) 7.891 9.975 ( -8.232 3.893 19.236) 21.283 10.217 ( -2.229 9.037 3.108) 9.812 10.838 ( 3.010 -1.161 29.770) 29.944 12.147 ( 1.327 0.371 -28.764) 28.797 12.550 ( 4.735 4.668 -20.472) 21.525 14.204 ( 6.492 -7.652 24.280) 26.272 14.783 ( 7.055 3.549 5.695) 9.737 15.362 ( 5.857 -2.291 -11.729) 13.309 15.586 ( 9.504 0.928 -15.679) 18.358 16.023 ( -14.548 -0.086 -8.391) 16.794 17.111 ( 3.959 0.219 1.898) 4.396 18.162 ( 2.849 -6.714 3.049) 7.905 18.862 ( 4.771 -6.181 6.901) 10.420======================= Grid point 344 (115/155) =======================q-point: (-0.20 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 0.000 8.613 15.970) 18.144 1.882 ( 0.000 25.805 14.055) 29.384 2.668 ( -0.000 -6.076 -2.888) 6.728 2.708 ( 0.000 15.710 -12.785) 20.255 2.967 ( 0.000 2.395 -2.934) 3.787 3.082 ( -0.000 -3.950 24.124) 24.445 3.177 ( -0.000 -10.426 -7.908) 13.085 3.623 ( -0.000 -0.629 12.022) 12.038 3.756 ( -0.000 -5.996 3.286) 6.838 4.170 ( 0.000 6.937 2.489) 7.370 4.314 ( 0.000 2.215 21.172) 21.287 4.426 ( 0.000 2.550 25.538) 25.665 4.441 ( 0.000 6.578 0.719) 6.617 5.166 ( 0.000 4.962 -12.132) 13.108 5.848 ( -0.000 -8.236 -0.929) 8.288 5.983 ( -0.000 -9.899 -10.480) 14.416 6.580 ( 0.000 16.865 -7.633) 18.512 6.653 ( -0.000 -26.951 -8.560) 28.278 7.704 ( -0.000 -28.601 4.226) 28.911 8.065 ( 0.000 2.786 -9.947) 10.330 8.275 ( 0.000 13.049 0.684) 13.067 8.340 ( -0.000 -0.196 3.617) 3.622 8.841 ( 0.000 2.511 1.527) 2.939 8.919 ( -0.000 -2.803 -13.232) 13.526 8.959 ( 0.000 2.278 -6.485) 6.874 9.463 ( 0.000 12.825 7.663) 14.940 9.690 ( -0.000 -7.437 1.615) 7.611 9.756 ( 0.000 9.455 2.416) 9.758 9.843 ( 0.000 2.889 35.162) 35.281 10.000 ( -0.000 -11.488 5.550) 12.758 10.127 ( 0.000 7.303 5.309) 9.029 10.869 ( 0.000 0.005 30.755) 30.755 12.157 ( -0.000 -0.214 -29.497) 29.498 12.553 ( 0.000 4.671 -20.193) 20.726 14.328 ( -0.000 -6.263 23.322) 24.149 14.815 ( 0.000 4.609 5.965) 7.538 15.430 ( -0.000 -1.276 -10.202) 10.281 15.728 ( 0.000 0.023 -12.977) 12.977 15.828 ( -0.000 -1.693 -12.218) 12.335 17.153 ( -0.000 -0.013 2.039) 2.039 18.247 ( -0.000 -7.534 2.958) 8.094 18.959 ( -0.000 -7.202 8.107) 10.844======================= Grid point 349 (116/155) =======================q-point: ( 0.30 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.333 ( 8.097 0.000 5.660) 9.879 2.532 ( -0.493 -0.000 4.098) 4.127 2.756 ( -0.726 -0.000 2.394) 2.502 2.825 ( -8.493 -0.000 -3.752) 9.285 3.159 ( -6.004 -0.000 13.009) 14.327 3.242 ( 2.328 0.000 0.771) 2.452 3.288 ( 2.663 0.000 9.342) 9.714 3.427 ( 2.164 0.000 -12.263) 12.452 3.677 ( -9.527 -0.000 -5.432) 10.967 3.808 ( -0.419 -0.000 0.828) 0.928 4.031 ( -2.720 -0.000 -6.402) 6.956 5.051 ( 8.507 0.000 2.788) 8.952 5.327 ( 2.336 0.000 -1.398) 2.722 5.701 ( -13.804 -0.000 17.501) 22.290 5.816 ( -5.875 -0.000 12.272) 13.606 5.924 ( -3.754 -0.000 -0.884) 3.856 6.057 ( -4.657 -0.000 6.608) 8.084 6.236 ( 1.567 0.000 -5.778) 5.986 7.775 ( 7.091 0.000 -8.145) 10.799 8.024 ( -8.950 -0.000 6.061) 10.809 8.555 ( 4.814 0.000 1.057) 4.929 8.784 ( 0.102 0.000 -8.553) 8.554 8.963 ( 1.145 0.000 6.285) 6.389 9.257 ( -4.167 -0.000 4.184) 5.905 9.307 ( -1.176 -0.000 -0.317) 1.218 9.520 ( 5.737 0.000 -2.172) 6.135 10.272 ( -7.859 -0.000 27.194) 28.307 10.297 ( 1.962 0.000 15.355) 15.480 10.529 ( 2.597 0.000 31.878) 31.983 10.529 ( -9.362 -0.000 5.143) 10.682 10.674 ( -37.043 -0.000 7.252) 37.746 11.019 ( -24.028 -0.000 -5.214) 24.587 11.448 ( 25.290 0.000 -17.939) 31.006 12.054 ( 22.144 0.000 -10.060) 24.322 14.038 ( -11.963 -0.000 -2.311) 12.184 14.504 ( -1.667 -0.000 -6.379) 6.593 14.756 ( 11.541 0.000 -16.295) 19.968 14.872 ( 17.815 0.000 -14.560) 23.008 16.632 ( -9.356 -0.000 12.499) 15.613 17.060 ( 3.943 0.000 2.094) 4.465 17.802 ( 2.474 0.000 -7.701) 8.088 18.398 ( 2.308 0.000 -13.657) 13.850======================= Grid point 350 (117/155) =======================q-point: (-0.60 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.417 ( -2.741 -2.234 5.610) 6.632 2.571 ( -2.304 -3.230 1.511) 4.245 2.602 ( -1.574 -1.326 10.331) 10.534 2.871 ( 4.848 -1.268 -2.951) 5.815 3.006 ( -11.133 0.530 4.583) 12.051 3.139 ( -8.775 -0.567 8.084) 11.944 3.422 ( 5.339 4.661 2.893) 7.655 3.470 ( 2.899 -0.846 -10.314) 10.747 3.557 ( 0.564 1.480 -4.268) 4.552 3.787 ( -2.096 3.049 5.927) 6.987 4.018 ( 5.314 1.901 -6.241) 8.414 5.205 ( 6.293 -2.835 1.983) 7.182 5.338 ( -19.504 0.586 19.486) 27.576 5.398 ( -1.345 -5.442 3.336) 6.523 5.627 ( -11.354 6.092 10.266) 16.475 5.858 ( -6.376 0.744 -3.241) 7.191 5.980 ( -4.787 -4.331 -0.566) 6.480 6.334 ( 6.674 -5.300 -4.559) 9.665 7.821 ( -13.526 1.198 5.854) 14.788 7.942 ( 10.713 -0.527 -10.888) 15.284 8.611 ( 0.523 0.810 -4.394) 4.499 8.842 ( 7.677 3.428 2.913) 8.898 8.946 ( 0.050 3.298 4.496) 5.576 9.150 ( -3.695 6.687 2.922) 8.180 9.342 ( 1.615 -6.460 1.849) 6.911 9.652 ( 5.968 -4.449 -1.435) 7.581 9.861 ( -42.833 -1.028 6.970) 43.408 10.051 ( -22.399 -0.195 13.184) 25.992 10.259 ( -6.462 -1.311 24.493) 25.365 10.425 ( -7.197 2.921 1.866) 7.989 10.601 ( 2.411 1.922 23.698) 23.898 10.655 ( -13.278 -0.516 4.517) 14.034 11.860 ( 20.272 -0.150 -23.999) 31.416 12.340 ( 11.534 0.506 -16.172) 19.870 13.908 ( -3.691 -1.755 9.130) 10.003 14.536 ( 5.580 0.121 0.585) 5.612 14.970 ( 12.096 -0.584 -16.616) 20.561 15.183 ( 16.932 0.665 -15.241) 22.791 16.463 ( -9.603 0.189 6.968) 11.866 17.080 ( -0.918 0.346 -0.917) 1.343 17.879 ( 5.336 -1.004 -2.045) 5.802 18.488 ( 7.166 -0.968 -5.403) 9.027======================= Grid point 351 (118/155) =======================q-point: (-0.50 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.251 ( -13.715 4.354 8.065) 16.495 2.480 ( -3.221 2.147 14.968) 15.461 2.705 ( -6.933 -4.442 -2.573) 8.626 2.809 ( -5.468 -11.001 -0.767) 12.309 2.956 ( 3.247 -0.806 1.332) 3.601 3.002 ( -5.154 2.406 6.109) 8.347 3.381 ( -0.897 10.573 -4.477) 11.517 3.519 ( 1.718 -1.852 -8.890) 9.242 3.674 ( 9.717 4.041 5.360) 11.810 3.758 ( 5.268 1.835 10.895) 12.240 4.175 ( 12.442 1.745 -2.304) 12.773 4.905 ( -22.813 0.728 26.634) 35.076 5.222 ( -12.844 8.448 9.768) 18.214 5.441 ( 2.341 -7.454 1.277) 7.917 5.523 ( 2.390 -8.640 -3.014) 9.458 5.671 ( -9.640 7.921 -6.602) 14.116 5.975 ( -4.888 -14.351 -5.446) 16.109 6.536 ( 10.444 -6.468 -3.491) 12.771 7.545 ( -16.576 0.154 3.524) 16.947 8.124 ( 8.673 0.179 -13.266) 15.851 8.586 ( -0.341 4.379 -3.503) 5.618 8.845 ( -2.006 6.942 2.491) 7.644 8.966 ( -7.747 3.995 5.014) 10.056 9.027 ( -4.271 5.075 1.794) 6.871 9.210 ( -17.496 -5.251 5.741) 19.148 9.469 ( 0.951 -9.968 4.577) 11.010 9.650 ( -20.841 -1.641 3.260) 21.158 9.772 ( 4.141 -1.676 -0.195) 4.472 10.110 ( -10.946 0.803 26.434) 28.622 10.194 ( -13.788 2.504 4.910) 14.849 10.459 ( -3.009 5.404 1.933) 6.481 10.721 ( 5.218 -1.471 27.259) 27.793 12.108 ( 7.611 1.021 -28.470) 29.488 12.506 ( 9.750 1.898 -19.531) 21.912 13.929 ( 2.427 -5.370 20.112) 20.958 14.678 ( 10.169 1.035 4.325) 11.099 15.173 ( 9.825 -1.216 -15.600) 18.476 15.435 ( 12.420 1.195 -15.369) 19.796 16.276 ( -12.054 0.535 -0.630) 12.083 17.069 ( 1.052 0.442 -0.223) 1.163 17.982 ( 4.198 -2.729 3.100) 5.889 18.642 ( 7.987 -2.366 1.814) 8.525======================= Grid point 352 (119/155) =======================q-point: (-0.40 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( -14.769 10.323 10.695) 20.954 2.386 ( -2.372 9.619 15.233) 18.171 2.546 ( -10.654 -10.606 0.585) 15.045 2.916 ( 1.208 -6.852 -4.439) 8.253 2.926 ( -1.015 -0.515 -0.456) 1.226 2.989 ( 0.609 1.129 6.286) 6.415 3.260 ( -1.077 13.216 -6.972) 14.981 3.563 ( 0.852 -3.552 -6.998) 7.894 3.716 ( 2.649 4.818 18.963) 19.744 4.009 ( 19.543 1.452 6.488) 20.643 4.359 ( 8.265 3.108 6.502) 10.966 4.575 ( -12.119 1.119 25.210) 27.994 4.836 ( -19.669 8.437 10.341) 23.769 5.417 ( -9.338 7.928 -10.379) 16.055 5.591 ( 3.815 -9.603 -1.424) 10.431 5.671 ( 3.784 -10.657 -6.390) 12.989 6.043 ( -3.622 -21.663 -8.368) 23.504 6.778 ( 12.080 -1.373 -3.785) 12.734 7.276 ( -15.519 -6.934 2.329) 17.157 8.198 ( 0.808 3.646 -13.239) 13.755 8.486 ( -13.345 2.979 1.489) 13.755 8.571 ( -4.604 6.110 0.670) 7.680 8.861 ( 1.136 1.698 -0.357) 2.074 8.924 ( -5.433 1.735 -2.709) 6.314 9.130 ( -5.234 4.468 -2.283) 7.251 9.442 ( -0.238 -8.275 5.966) 10.204 9.648 ( 4.237 -10.502 8.876) 14.388 9.788 ( -2.400 5.945 4.011) 7.562 9.886 ( -9.181 1.439 16.438) 18.883 10.005 ( -6.973 0.079 18.145) 19.439 10.373 ( -0.959 8.728 -1.090) 8.848 10.811 ( 3.145 -1.933 28.954) 29.188 12.153 ( 0.212 0.322 -29.647) 29.650 12.632 ( 6.730 5.103 -21.157) 22.780 14.057 ( 4.205 -9.649 26.507) 28.521 14.838 ( 8.734 2.925 4.357) 10.190 15.323 ( 5.583 -2.019 -13.898) 15.112 15.606 ( 8.899 1.285 -14.697) 17.229 16.033 ( -14.096 1.084 -7.729) 16.112 17.114 ( 3.595 0.182 1.794) 4.021 18.065 ( 1.742 -4.907 6.991) 8.717 18.783 ( 4.844 -3.626 6.066) 8.568======================= Grid point 353 (120/155) =======================q-point: (-0.30 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 0.000 11.490 12.745) 17.160 2.249 ( 0.000 17.733 13.999) 22.592 2.538 ( -0.000 -10.064 0.828) 10.098 2.894 ( 0.000 3.919 -2.494) 4.645 2.971 ( 0.000 1.785 9.792) 9.953 3.008 ( -0.000 -9.709 -9.494) 13.580 3.148 ( 0.000 11.310 -3.298) 11.781 3.602 ( -0.000 -3.375 -2.512) 4.207 3.712 ( 0.000 1.858 17.898) 17.994 4.272 ( 0.000 5.811 3.289) 6.677 4.349 ( 0.000 1.976 24.362) 24.442 4.471 ( 0.000 2.858 23.431) 23.605 4.540 ( 0.000 5.466 1.276) 5.613 5.263 ( 0.000 6.883 -12.914) 14.634 5.704 ( -0.000 -9.376 -1.333) 9.471 5.803 ( -0.000 -11.761 -8.569) 14.552 6.209 ( -0.000 -26.617 -9.206) 28.164 6.848 ( 0.000 15.320 -7.259) 16.953 7.250 ( -0.000 -25.434 5.065) 25.933 8.142 ( 0.000 5.542 -10.908) 12.235 8.337 ( -0.000 -0.309 2.538) 2.556 8.485 ( 0.000 11.920 -0.044) 11.920 8.864 ( -0.000 -3.729 -11.621) 12.205 8.873 ( 0.000 1.832 0.024) 1.832 9.032 ( 0.000 6.502 -2.348) 6.913 9.547 ( -0.000 -9.972 3.482) 10.562 9.655 ( 0.000 10.710 11.547) 15.749 9.784 ( -0.000 -0.750 25.048) 25.059 9.814 ( -0.000 -11.065 2.662) 11.381 9.932 ( 0.000 3.589 14.919) 15.344 10.283 ( 0.000 10.700 -0.807) 10.730 10.854 ( -0.000 -1.693 30.037) 30.084 12.152 ( -0.000 -0.324 -29.888) 29.890 12.643 ( 0.000 6.293 -20.937) 21.862 14.188 ( -0.000 -10.699 27.428) 29.441 14.892 ( 0.000 4.482 3.838) 5.901 15.394 ( -0.000 -2.653 -12.091) 12.379 15.729 ( 0.000 0.023 -13.014) 13.014 15.832 ( 0.000 1.889 -11.907) 12.056 17.153 ( -0.000 -0.013 2.028) 2.028 18.127 ( -0.000 -6.731 7.592) 10.146 18.860 ( -0.000 -4.846 7.814) 9.194======================= Grid point 360 (121/155) =======================q-point: (-0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.289 ( -9.372 -0.000 7.456) 11.976 2.491 ( -2.121 -0.000 14.251) 14.408 2.686 ( -22.474 -0.000 0.311) 22.476 2.694 ( 7.058 0.000 -2.801) 7.593 2.949 ( 4.137 0.000 0.075) 4.138 3.024 ( -4.565 -0.000 9.179) 10.252 3.488 ( 0.709 0.000 -9.902) 9.927 3.488 ( -0.120 -0.000 -3.449) 3.452 3.704 ( 13.277 0.000 2.287) 13.473 3.783 ( 1.411 0.000 11.438) 11.525 4.190 ( 12.475 0.000 -2.251) 12.677 4.912 ( -23.101 -0.000 27.193) 35.681 5.314 ( 6.180 0.000 -0.199) 6.184 5.368 ( -19.832 -0.000 11.089) 22.722 5.436 ( 4.241 0.000 -1.761) 4.592 5.764 ( -5.662 -0.000 -7.693) 9.552 5.826 ( -9.723 -0.000 -4.764) 10.828 6.471 ( 10.880 0.000 -3.172) 11.333 7.554 ( -16.750 -0.000 2.734) 16.972 8.126 ( 9.584 0.000 -13.308) 16.400 8.619 ( 0.630 0.000 -5.489) 5.525 8.920 ( -6.945 -0.000 4.054) 8.042 9.025 ( 9.624 0.000 5.526) 11.097 9.059 ( -17.413 -0.000 3.252) 17.714 9.158 ( -22.405 -0.000 6.769) 23.405 9.369 ( 4.563 0.000 4.302) 6.271 9.639 ( -22.802 -0.000 2.093) 22.898 9.753 ( 6.483 0.000 0.148) 6.484 10.110 ( -9.679 -0.000 28.282) 29.893 10.220 ( -15.231 -0.000 2.885) 15.502 10.505 ( -2.514 -0.000 1.390) 2.873 10.708 ( 5.154 0.000 27.346) 27.827 12.116 ( 7.548 0.000 -29.174) 30.135 12.522 ( 10.822 0.000 -19.513) 22.313 13.882 ( 1.016 0.000 20.065) 20.090 14.686 ( 10.689 0.000 4.176) 11.476 15.163 ( 9.799 0.000 -15.868) 18.649 15.445 ( 12.362 0.000 -15.091) 19.507 16.281 ( -11.863 -0.000 -0.366) 11.869 17.072 ( 0.898 0.000 -0.295) 0.945 17.959 ( 3.843 0.000 4.140) 5.649 18.623 ( 7.919 0.000 1.437) 8.048======================= Grid point 362 (122/155) =======================q-point: (-0.50 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( -9.728 9.674 10.176) 17.081 2.364 ( -14.770 -10.343 1.227) 18.073 2.464 ( -0.801 1.431 15.884) 15.969 2.812 ( 4.100 -3.366 -7.679) 9.333 2.959 ( -2.087 1.793 7.582) 8.066 3.004 ( 2.010 0.360 3.035) 3.658 3.434 ( -1.069 7.293 -7.610) 10.594 3.512 ( 0.002 -2.923 -7.826) 8.354 3.788 ( 1.755 2.863 16.298) 16.640 4.030 ( 21.514 0.898 6.116) 22.385 4.395 ( 8.473 1.241 7.240) 11.214 4.589 ( -11.309 0.485 25.079) 27.515 4.953 ( -23.291 4.995 9.847) 25.776 5.439 ( 4.077 -6.069 -2.430) 7.705 5.520 ( 1.314 -1.078 -4.930) 5.214 5.585 ( -5.650 5.453 -8.428) 11.519 5.752 ( -6.646 -13.924 -9.031) 17.878 6.691 ( 11.314 -4.917 -0.095) 12.336 7.265 ( -14.530 1.618 -1.637) 14.711 8.245 ( 3.920 1.714 -14.389) 15.012 8.507 ( -21.826 0.263 2.518) 21.972 8.639 ( 1.702 1.969 -4.369) 5.086 8.877 ( -6.425 0.102 -1.636) 6.630 8.994 ( -3.456 5.775 3.585) 7.626 9.172 ( 3.408 -1.128 4.428) 5.700 9.348 ( -7.191 -1.547 2.540) 7.781 9.503 ( 6.327 -6.296 5.987) 10.748 9.832 ( 0.791 0.607 2.662) 2.843 9.930 ( -9.160 2.491 27.233) 28.840 9.994 ( -8.509 -0.899 11.650) 14.454 10.473 ( -0.381 3.246 -2.372) 4.039 10.786 ( 3.072 -0.919 28.211) 28.392 12.157 ( -0.600 0.127 -30.207) 30.213 12.699 ( 8.582 2.505 -22.072) 23.814 13.931 ( 2.062 -4.708 27.374) 27.853 14.871 ( 9.586 1.109 3.846) 10.388 15.302 ( 5.461 -0.635 -14.906) 15.887 15.621 ( 8.473 0.490 -14.164) 16.512 16.049 ( -13.455 0.639 -6.893) 15.132 17.116 ( 3.359 0.071 1.728) 3.778 18.010 ( 1.261 -1.734 9.166) 9.413 18.744 ( 4.923 -1.165 5.142) 7.213======================= Grid point 363 (123/155) =======================q-point: (-0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 0.000 13.386 9.944) 16.676 2.345 ( -0.000 -13.471 3.450) 13.906 2.430 ( 0.000 5.268 15.970) 16.817 2.883 ( -0.000 -5.441 -10.023) 11.405 2.923 ( 0.000 2.234 6.192) 6.582 3.013 ( 0.000 1.688 4.836) 5.122 3.348 ( 0.000 10.959 -7.977) 13.555 3.539 ( -0.000 -3.619 -6.844) 7.742 3.775 ( 0.000 4.304 18.452) 18.947 4.357 ( 0.000 4.357 3.389) 5.520 4.375 ( 0.000 1.224 25.885) 25.914 4.513 ( 0.000 2.140 22.820) 22.920 4.616 ( 0.000 3.800 1.328) 4.026 5.389 ( 0.000 8.794 -12.945) 15.650 5.553 ( -0.000 -8.608 -2.622) 8.998 5.635 ( -0.000 -7.735 -5.362) 9.412 5.824 ( -0.000 -20.263 -9.920) 22.561 6.915 ( -0.000 -14.978 4.930) 15.769 7.051 ( 0.000 9.072 -6.961) 11.435 8.229 ( 0.000 4.909 -10.641) 11.718 8.327 ( -0.000 -1.114 -0.115) 1.120 8.632 ( 0.000 5.615 -3.341) 6.534 8.808 ( -0.000 -2.902 -9.120) 9.571 8.927 ( 0.000 5.280 3.065) 6.105 9.147 ( 0.000 6.727 1.475) 6.887 9.380 ( -0.000 -9.961 5.114) 11.197 9.654 ( -0.000 -8.162 -0.768) 8.198 9.766 ( 0.000 0.014 32.647) 32.647 9.811 ( 0.000 7.077 7.466) 10.287 9.950 ( -0.000 -0.914 14.180) 14.209 10.430 ( 0.000 6.600 -3.458) 7.451 10.824 ( -0.000 -1.656 29.020) 29.067 12.147 ( -0.000 -0.263 -30.270) 30.271 12.743 ( 0.000 5.409 -22.188) 22.838 14.013 ( -0.000 -9.473 29.327) 30.819 14.951 ( 0.000 2.623 3.008) 3.992 15.359 ( -0.000 -1.416 -14.052) 14.123 15.729 ( 0.000 0.014 -13.043) 13.043 15.869 ( 0.000 2.138 -10.061) 10.286 17.152 ( -0.000 -0.008 2.019) 2.019 18.041 ( -0.000 -3.669 10.834) 11.438 18.803 ( -0.000 -2.305 6.554) 6.947======================= Grid point 373 (124/155) =======================q-point: ( 0.50 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.079 ( 0.000 0.000 13.131) 13.131 2.143 ( -0.000 -0.000 -0.154) 0.154 2.464 ( 0.000 0.000 16.341) 16.341 2.838 ( 0.000 0.000 -9.853) 9.853 2.948 ( -0.000 -0.000 7.877) 7.877 3.025 ( 0.000 0.000 4.169) 4.169 3.461 ( -0.000 -0.000 -9.159) 9.159 3.490 ( 0.000 0.000 -6.162) 6.162 3.815 ( 0.000 0.000 16.769) 16.769 4.386 ( 0.000 0.000 26.339) 26.339 4.396 ( -0.000 -0.000 3.081) 3.081 4.532 ( 0.000 0.000 22.790) 22.790 4.651 ( -0.000 -0.000 1.035) 1.035 5.472 ( 0.000 0.000 -2.713) 2.713 5.553 ( -0.000 -0.000 -13.343) 13.343 5.564 ( 0.000 0.000 -9.863) 9.863 5.571 ( 0.000 0.000 -4.062) 4.062 6.790 ( 0.000 0.000 4.868) 4.868 7.127 ( 0.000 0.000 -6.908) 6.908 8.289 ( -0.000 -0.000 -14.641) 14.641 8.300 ( 0.000 0.000 2.487) 2.487 8.673 ( 0.000 0.000 -5.729) 5.729 8.782 ( 0.000 0.000 -7.668) 7.668 8.997 ( 0.000 0.000 5.940) 5.940 9.209 ( -0.000 -0.000 5.602) 5.602 9.279 ( 0.000 0.000 3.530) 3.530 9.578 ( -0.000 -0.000 -2.861) 2.861 9.763 ( 0.000 0.000 30.570) 30.570 9.899 ( -0.000 -0.000 9.797) 9.797 9.914 ( 0.000 0.000 14.555) 14.555 10.484 ( 0.000 0.000 -4.018) 4.018 10.810 ( -0.000 -0.000 28.503) 28.503 12.145 ( 0.000 0.000 -30.434) 30.434 12.792 ( 0.000 0.000 -23.155) 23.155 13.928 ( 0.000 0.000 30.091) 30.091 14.973 ( 0.000 0.000 2.876) 2.876 15.348 ( 0.000 0.000 -14.668) 14.668 15.729 ( 0.000 0.000 -13.055) 13.055 15.888 ( 0.000 0.000 -9.239) 9.239 17.152 ( 0.000 0.000 2.016) 2.016 18.011 ( 0.000 0.000 11.910) 11.910 18.784 ( 0.000 0.000 5.990) 5.990======================= Grid point 420 (125/155) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( 0.000 0.000 9.438) 9.438 1.666 ( 0.000 0.000 17.744) 17.744 2.040 ( 0.000 0.000 -16.876) 16.876 2.635 ( 0.000 0.000 -4.949) 4.949 2.854 ( 0.000 0.000 -1.164) 1.164 3.285 ( 0.000 0.000 -2.818) 2.818 3.701 ( 0.000 0.000 -0.728) 0.728 3.853 ( 0.000 0.000 22.075) 22.075 3.956 ( 0.000 0.000 0.954) 0.954 4.038 ( 0.000 0.000 3.234) 3.234 4.210 ( 0.000 0.000 -7.250) 7.250 4.549 ( 0.000 0.000 13.337) 13.337 4.824 ( 0.000 0.000 12.811) 12.811 4.858 ( 0.000 0.000 -11.615) 11.615 5.952 ( 0.000 0.000 -3.658) 3.658 6.031 ( 0.000 0.000 -2.615) 2.615 6.114 ( 0.000 0.000 -2.558) 2.558 7.111 ( 0.000 0.000 -2.533) 2.533 7.754 ( 0.000 0.000 -4.404) 4.404 8.047 ( 0.000 0.000 0.847) 0.847 8.450 ( 0.000 0.000 8.529) 8.529 8.677 ( 0.000 0.000 -12.416) 12.416 8.692 ( 0.000 0.000 0.524) 0.524 8.798 ( 0.000 0.000 0.439) 0.439 8.838 ( 0.000 0.000 -3.225) 3.225 8.992 ( 0.000 0.000 -0.372) 0.372 9.404 ( 0.000 0.000 1.094) 1.094 9.824 ( 0.000 0.000 0.312) 0.312 10.089 ( 0.000 0.000 1.814) 1.814 10.329 ( 0.000 0.000 2.341) 2.341 10.705 ( 0.000 0.000 41.784) 41.784 11.426 ( 0.000 0.000 26.913) 26.913 11.515 ( 0.000 0.000 -36.290) 36.290 12.050 ( 0.000 0.000 -22.669) 22.669 14.672 ( 0.000 0.000 8.702) 8.702 14.947 ( 0.000 0.000 12.008) 12.008 15.191 ( 0.000 0.000 -12.464) 12.464 15.546 ( 0.000 0.000 -5.043) 5.043 15.759 ( 0.000 0.000 -5.197) 5.197 17.179 ( 0.000 0.000 0.640) 0.640 18.371 ( 0.000 0.000 -0.479) 0.479 19.182 ( 0.000 0.000 1.217) 1.217======================= Grid point 421 (126/155) =======================q-point: ( 0.10 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( 4.791 -7.459 16.184) 18.453 1.918 ( 24.503 -2.249 8.779) 26.125 2.098 ( 3.026 -7.732 -15.561) 17.638 2.702 ( 7.317 0.531 -5.108) 8.939 2.848 ( -1.177 -1.112 -1.239) 2.039 3.308 ( 4.022 3.887 -2.354) 6.069 3.633 ( -3.025 6.638 0.624) 7.321 3.848 ( -2.438 6.062 7.526) 9.966 3.912 ( -2.424 -3.251 12.290) 12.942 4.009 ( -4.565 -1.843 3.007) 5.769 4.201 ( -3.126 -1.168 -5.742) 6.641 4.610 ( 5.276 -4.595 13.075) 14.829 4.878 ( 2.081 -2.505 -11.983) 12.417 4.950 ( 13.613 -0.545 12.278) 18.341 5.915 ( -2.717 2.266 -3.832) 5.216 5.982 ( -2.912 4.280 -1.770) 5.471 6.157 ( 0.905 -7.221 -2.306) 7.635 6.949 ( -11.423 8.301 -2.317) 14.310 7.815 ( 4.364 -2.073 -5.324) 7.189 8.182 ( 11.752 -1.701 0.781) 11.900 8.450 ( -7.741 14.264 -0.020) 16.229 8.515 ( 4.374 -0.208 4.086) 5.989 8.751 ( 7.529 -0.115 -5.604) 9.387 8.897 ( 7.555 9.912 0.108) 12.464 8.918 ( 10.597 0.092 -4.054) 11.346 9.190 ( 8.326 -21.650 0.693) 23.207 9.524 ( 10.636 -5.022 1.348) 11.839 9.815 ( 1.026 1.707 -0.610) 2.083 10.110 ( 2.099 -0.315 1.553) 2.630 10.261 ( -5.305 4.310 1.941) 7.105 10.730 ( 2.806 -0.150 41.159) 41.255 11.400 ( -3.478 -1.672 23.914) 24.223 11.532 ( 1.579 0.337 -31.546) 31.588 12.017 ( -3.551 0.085 -23.574) 23.840 14.629 ( -5.189 -0.861 11.017) 12.208 14.905 ( -5.350 -0.932 11.613) 12.820 15.143 ( -5.946 -0.896 -12.326) 13.715 15.352 ( -14.785 1.654 -8.964) 17.369 15.959 ( 16.978 1.705 -3.088) 17.340 17.132 ( -4.882 -0.040 0.667) 4.927 18.294 ( -7.676 1.487 -1.077) 7.893 19.110 ( -7.257 2.067 1.048) 7.618======================= Grid point 422 (127/155) =======================q-point: ( 0.20 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 8.219 -12.827 13.189) 20.150 2.246 ( 5.588 -12.553 -12.162) 18.350 2.439 ( 27.592 -2.534 9.033) 29.144 2.828 ( -0.845 -1.277 -1.377) 2.060 2.863 ( 9.797 0.436 -7.087) 12.099 3.345 ( 4.794 6.583 -0.364) 8.152 3.516 ( -4.741 4.732 -1.818) 6.940 3.708 ( -6.784 4.422 0.913) 8.149 3.875 ( -2.721 8.665 10.859) 14.156 3.896 ( -7.476 -0.134 8.143) 11.055 4.099 ( -6.455 4.652 -4.539) 9.160 4.804 ( 8.084 -12.992 9.912) 18.231 5.001 ( 6.121 -9.449 -9.386) 14.658 5.277 ( 21.660 -0.716 10.701) 24.169 5.837 ( -2.835 4.518 -1.865) 5.651 5.891 ( -1.046 6.508 -1.062) 6.676 6.242 ( 0.234 -10.133 -1.630) 10.266 6.672 ( -11.164 7.765 -1.916) 13.733 7.877 ( -0.061 -1.016 -6.390) 6.471 8.241 ( -2.832 13.165 0.321) 13.470 8.396 ( 11.200 2.146 0.848) 11.436 8.558 ( 0.595 -1.565 -3.196) 3.608 8.893 ( 7.118 5.313 1.962) 9.096 8.939 ( 3.178 3.083 1.063) 4.554 9.216 ( 20.033 -3.519 -3.304) 20.606 9.498 ( 7.219 -16.654 1.008) 18.179 9.812 ( 17.400 -3.332 4.694) 18.328 9.928 ( 16.007 1.197 -2.996) 16.329 10.110 ( -4.939 6.153 0.990) 7.952 10.178 ( 5.247 -1.666 0.480) 5.526 10.805 ( 5.085 -0.704 38.105) 38.449 11.332 ( -5.956 -1.980 25.846) 26.597 11.544 ( -0.025 1.459 -27.461) 27.500 11.934 ( -5.660 -0.290 -26.155) 26.762 14.512 ( -8.369 -0.388 15.749) 17.839 14.776 ( -10.007 -1.103 10.117) 14.273 14.995 ( -11.857 -0.316 -11.872) 16.781 15.060 ( -15.791 2.412 -15.432) 22.211 16.268 ( 19.031 1.140 -0.019) 19.065 17.038 ( -4.878 -0.261 -0.258) 4.892 18.106 ( -11.424 1.665 -2.329) 11.778 18.898 ( -14.062 3.433 0.221) 14.476======================= Grid point 423 (128/155) =======================q-point: ( 0.30 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.219 ( 9.919 -15.483 10.152) 21.004 2.472 ( 6.425 -16.786 -9.035) 20.116 2.792 ( 3.114 -0.920 1.983) 3.805 2.844 ( 9.129 -1.097 9.034) 12.890 3.058 ( 11.599 2.976 -10.609) 15.998 3.349 ( -1.833 4.671 1.406) 5.211 3.417 ( -1.421 3.355 -4.004) 5.414 3.579 ( -2.717 4.852 3.402) 6.519 3.670 ( -4.783 15.027 -1.905) 15.885 3.759 ( -7.884 6.117 9.636) 13.872 3.944 ( -5.682 3.593 -0.602) 6.749 5.066 ( 6.375 -17.340 4.746) 19.075 5.206 ( 6.069 -12.426 -3.992) 14.394 5.606 ( 10.188 3.910 2.767) 11.258 5.777 ( 2.503 6.097 3.312) 7.376 5.905 ( 12.293 4.912 4.219) 13.894 6.319 ( -0.723 -9.620 -0.847) 9.685 6.464 ( -6.905 3.699 -1.239) 7.931 7.818 ( -6.055 0.863 -5.896) 8.495 8.137 ( 1.212 9.899 0.892) 10.013 8.503 ( 4.103 4.678 -1.493) 6.399 8.610 ( 4.026 -1.294 -1.896) 4.634 8.871 ( -9.584 -1.213 1.176) 9.732 8.925 ( 4.069 8.141 0.261) 9.105 9.541 ( 7.102 -5.234 -0.553) 8.840 9.673 ( 1.509 -7.797 0.599) 7.965 10.056 ( 8.418 -1.697 1.510) 8.719 10.252 ( 28.212 2.420 4.984) 28.751 10.296 ( 19.840 -2.332 2.926) 20.190 10.377 ( 19.138 -2.497 -3.227) 19.568 10.895 ( 3.586 -0.233 29.464) 29.683 11.228 ( -6.840 -1.052 30.402) 31.180 11.475 ( -6.329 3.411 -20.994) 22.191 11.839 ( -5.923 -1.210 -27.849) 28.497 14.356 ( -8.016 1.931 16.805) 18.719 14.586 ( -12.037 -1.027 6.323) 13.635 14.732 ( -14.592 2.901 -16.167) 21.970 14.794 ( -15.138 -1.668 -14.420) 20.974 16.585 ( 17.262 0.437 5.467) 18.112 16.996 ( 0.152 -0.579 -3.080) 3.137 17.890 ( -11.511 0.925 -3.338) 12.020 18.583 ( -17.676 3.659 -2.010) 18.162======================= Grid point 424 (129/155) =======================q-point: ( 0.40 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.509 ( 8.448 -12.431 6.976) 16.570 2.723 ( 5.543 -16.208 -4.204) 17.638 2.821 ( 0.559 -9.315 0.025) 9.332 2.996 ( 7.345 2.318 7.687) 10.882 3.149 ( 4.344 8.270 -2.417) 9.649 3.239 ( -6.434 0.914 -1.698) 6.717 3.323 ( -5.965 3.902 -0.792) 7.172 3.387 ( -4.865 14.554 -4.510) 15.995 3.478 ( -8.533 14.704 1.431) 17.060 3.764 ( 8.841 -2.113 -1.463) 9.207 3.856 ( -2.812 0.755 4.342) 5.228 5.257 ( 0.376 -13.277 -0.058) 13.282 5.390 ( 3.917 -10.274 -0.082) 10.996 5.622 ( 2.674 7.062 1.778) 7.758 5.757 ( 1.160 7.578 0.900) 7.719 6.208 ( 17.268 0.090 10.581) 20.252 6.367 ( -0.944 -0.935 0.117) 1.334 6.375 ( -1.808 -4.434 -0.468) 4.812 7.692 ( -5.937 1.234 -4.096) 7.318 8.101 ( 1.114 5.343 1.025) 5.553 8.510 ( 1.128 3.146 -3.498) 4.838 8.648 ( -4.348 -0.221 3.457) 5.559 8.721 ( -2.568 -0.128 -4.395) 5.092 8.924 ( 1.849 4.560 0.181) 4.924 9.562 ( -2.819 -1.118 -0.108) 3.035 9.710 ( -0.738 -2.117 0.038) 2.242 10.331 ( 14.096 -7.070 4.261) 16.335 10.600 ( 14.000 -7.825 0.464) 16.045 10.726 ( 23.343 0.996 8.240) 24.775 10.861 ( 13.937 2.216 10.674) 17.694 10.889 ( 12.435 2.170 6.658) 14.271 11.138 ( -4.320 -0.755 29.747) 30.068 11.278 ( -10.941 4.889 -13.142) 17.785 11.706 ( -12.106 -1.327 -21.800) 24.971 14.235 ( -1.975 3.975 8.367) 9.471 14.396 ( -10.476 -1.489 -1.437) 10.679 14.492 ( -10.140 0.948 -12.446) 16.082 14.560 ( -11.693 -1.525 -10.747) 15.954 16.849 ( 12.853 0.096 10.334) 16.492 17.041 ( 2.839 -0.559 -3.192) 4.308 17.703 ( -8.660 0.217 -4.544) 9.783 18.265 ( -13.972 2.531 -6.133) 15.467======================= Grid point 425 (130/155) =======================q-point: (-0.50 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.632 ( 0.000 -0.000 2.044) 2.044 2.905 ( 0.000 -0.000 7.209) 7.209 2.908 ( -0.000 0.000 1.770) 1.770 3.066 ( 0.000 -0.000 2.476) 2.476 3.133 ( -0.000 0.000 6.540) 6.540 3.136 ( 0.000 -0.000 -2.652) 2.652 3.200 ( 0.000 -0.000 -3.790) 3.790 3.275 ( 0.000 0.000 -7.678) 7.678 3.326 ( -0.000 -0.000 -5.801) 5.801 3.828 ( 0.000 0.000 5.379) 5.379 3.865 ( 0.000 -0.000 -1.562) 1.562 5.307 ( 0.000 -0.000 -1.288) 1.288 5.477 ( 0.000 -0.000 0.473) 0.473 5.622 ( 0.000 -0.000 2.463) 2.463 5.725 ( 0.000 -0.000 1.184) 1.184 6.352 ( 0.000 0.000 0.312) 0.312 6.375 ( 0.000 -0.000 10.625) 10.625 6.393 ( -0.000 -0.000 0.424) 0.424 7.629 ( 0.000 -0.000 -2.916) 2.916 8.086 ( 0.000 -0.000 0.942) 0.942 8.506 ( 0.000 -0.000 -4.185) 4.185 8.576 ( 0.000 -0.000 1.455) 1.455 8.724 ( 0.000 -0.000 -2.842) 2.842 8.921 ( 0.000 -0.000 0.240) 0.240 9.537 ( 0.000 -0.000 -0.230) 0.230 9.709 ( 0.000 -0.000 -0.142) 0.142 10.543 ( 0.000 -0.000 7.534) 7.534 10.744 ( -0.000 0.000 12.582) 12.582 10.862 ( -0.000 -0.000 -2.865) 2.865 10.981 ( 0.000 -0.000 10.445) 10.445 11.012 ( 0.000 -0.000 20.901) 20.901 11.092 ( -0.000 -0.000 2.613) 2.613 11.395 ( -0.001 -0.000 -11.482) 11.482 11.402 ( 0.001 0.000 -9.975) 9.975 14.246 ( -0.000 -0.000 -5.468) 5.468 14.255 ( 0.000 0.000 0.233) 0.233 14.396 ( 0.000 -0.000 -10.109) 10.109 14.457 ( 0.000 -0.000 -5.903) 5.903 17.010 ( -0.000 -0.000 9.331) 9.331 17.039 ( 0.000 -0.000 2.650) 2.650 17.618 ( 0.000 -0.000 -6.589) 6.589 18.119 ( 0.000 -0.000 -9.146) 9.146======================= Grid point 432 (131/155) =======================q-point: ( 0.10 0.10 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( 8.421 0.000 14.594) 16.850 2.137 ( 5.163 0.000 -13.880) 14.809 2.421 ( 29.755 0.000 9.616) 31.271 2.814 ( -2.171 -0.000 -1.290) 2.525 2.870 ( 11.152 0.000 -7.294) 13.325 3.403 ( 4.807 0.000 -1.551) 5.051 3.550 ( -8.065 -0.000 -0.253) 8.069 3.732 ( -10.452 -0.000 -0.067) 10.452 3.895 ( -4.840 -0.000 12.564) 13.465 3.972 ( 3.394 0.000 6.329) 7.182 4.160 ( -2.867 -0.000 -3.856) 4.806 4.675 ( 4.987 0.000 12.164) 13.147 4.913 ( 4.075 0.000 -11.672) 12.363 5.272 ( 22.038 0.000 11.135) 24.691 5.875 ( -2.445 -0.000 -2.096) 3.221 5.955 ( -1.088 -0.000 -1.483) 1.839 6.144 ( 0.653 0.000 -1.228) 1.391 6.732 ( -14.889 -0.000 -1.727) 14.989 7.868 ( 1.082 0.000 -6.586) 6.674 8.343 ( -7.250 -0.000 -0.962) 7.314 8.427 ( 14.784 0.000 0.822) 14.807 8.545 ( 0.248 0.000 -2.590) 2.601 8.903 ( 4.933 0.000 2.903) 5.723 9.128 ( 6.668 0.000 -0.135) 6.670 9.180 ( 16.609 0.000 -3.161) 16.907 9.232 ( 11.181 0.000 1.862) 11.335 9.781 ( 19.974 0.000 3.553) 20.287 9.942 ( 14.952 0.000 -2.086) 15.097 10.160 ( -2.621 -0.000 0.880) 2.765 10.170 ( 1.549 0.000 -0.104) 1.552 10.798 ( 4.924 0.000 38.811) 39.122 11.314 ( -5.479 -0.000 23.347) 23.981 11.557 ( 0.479 0.000 -26.045) 26.049 11.932 ( -5.890 -0.000 -24.698) 25.390 14.508 ( -7.736 -0.000 14.385) 16.333 14.767 ( -9.777 -0.000 9.834) 13.867 14.987 ( -11.399 -0.000 -11.892) 16.473 15.085 ( -16.421 -0.000 -14.037) 21.603 16.278 ( 18.451 0.000 0.204) 18.452 17.036 ( -4.967 -0.000 -0.250) 4.973 18.120 ( -11.947 -0.000 -2.605) 12.228 18.927 ( -14.343 -0.000 -0.162) 14.344======================= Grid point 433 (132/155) =======================q-point: ( 0.20 0.10 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 10.266 -7.031 11.828) 17.168 2.270 ( 6.504 -6.945 -10.780) 14.378 2.773 ( -2.487 -0.800 -1.052) 2.817 2.841 ( 15.944 0.102 12.678) 20.370 3.088 ( 12.981 0.846 -12.128) 17.785 3.388 ( -9.020 0.777 -0.776) 9.087 3.483 ( 2.201 4.711 -1.376) 5.379 3.564 ( -4.327 -3.951 -0.120) 5.860 3.784 ( -6.439 2.363 10.113) 12.219 3.970 ( -0.018 10.173 4.963) 11.319 4.054 ( -5.954 7.690 -3.298) 10.270 4.813 ( 5.349 -11.326 7.433) 14.565 5.036 ( 6.264 -6.810 -7.477) 11.896 5.647 ( 17.136 1.281 6.071) 18.224 5.851 ( 2.123 2.622 4.016) 5.245 5.983 ( 7.759 3.974 0.423) 8.728 6.171 ( -0.678 -6.760 -0.443) 6.809 6.484 ( -12.409 -0.126 -1.544) 12.505 7.827 ( -5.284 0.306 -5.977) 7.984 8.242 ( -2.694 3.005 -0.689) 4.095 8.554 ( 1.157 0.567 -4.453) 4.636 8.649 ( 11.634 4.580 1.201) 12.561 8.853 ( -9.360 -0.796 1.882) 9.580 9.144 ( 6.132 16.527 0.306) 17.630 9.441 ( 7.966 -5.186 0.019) 9.505 9.477 ( 4.850 -14.949 1.148) 15.758 10.034 ( 4.889 -0.734 2.406) 5.498 10.244 ( 11.918 -1.679 1.691) 12.154 10.295 ( 26.199 1.379 2.965) 26.402 10.379 ( 25.450 0.767 -3.112) 25.651 10.888 ( 4.241 -0.412 30.891) 31.183 11.211 ( -6.391 -0.728 27.195) 27.945 11.517 ( -5.193 1.455 -17.716) 18.519 11.826 ( -6.286 -0.408 -27.157) 27.878 14.374 ( -6.782 0.444 15.139) 16.595 14.573 ( -11.966 -0.459 5.845) 13.325 14.750 ( -15.275 -0.278 -10.631) 18.613 14.793 ( -15.663 0.893 -18.051) 23.916 16.592 ( 16.895 0.263 5.869) 17.888 16.989 ( 0.099 -0.206 -3.161) 3.169 17.902 ( -12.181 0.414 -3.891) 12.794 18.626 ( -18.467 1.443 -2.392) 18.677======================= Grid point 434 (133/155) =======================q-point: ( 0.30 0.10 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( 10.168 -12.229 9.695) 18.627 2.470 ( 6.994 -12.667 -7.640) 16.362 2.738 ( -2.680 -2.339 -0.618) 3.610 3.028 ( 7.843 1.524 8.503) 11.668 3.218 ( -1.812 1.451 -5.549) 6.015 3.238 ( -2.462 0.257 -4.162) 4.843 3.349 ( -7.711 0.109 -1.726) 7.902 3.605 ( -7.319 10.431 9.168) 15.698 3.739 ( 10.767 -0.917 -1.467) 10.905 3.800 ( -5.761 19.149 -2.771) 20.188 3.894 ( -3.772 4.237 2.272) 6.111 5.009 ( 3.770 -15.031 2.696) 15.729 5.214 ( 5.595 -9.901 -3.011) 11.764 5.753 ( 3.618 7.738 1.897) 8.750 5.879 ( 2.388 6.660 2.051) 7.367 6.193 ( 8.916 -4.480 7.188) 12.297 6.246 ( 6.143 -5.149 2.873) 8.514 6.327 ( -7.138 -4.621 -1.583) 8.649 7.709 ( -6.510 0.742 -4.131) 7.746 8.187 ( -0.962 4.296 0.220) 4.408 8.562 ( 0.610 1.853 -5.061) 5.424 8.659 ( -9.238 0.088 1.491) 9.358 8.770 ( 6.171 7.226 -0.366) 9.510 9.095 ( 3.206 15.354 0.196) 15.686 9.499 ( -3.805 -5.917 0.094) 7.035 9.616 ( -0.092 -9.934 0.631) 9.955 10.233 ( 13.972 -4.540 6.354) 16.007 10.483 ( 13.632 -5.589 -4.866) 15.516 10.746 ( 22.835 1.042 10.719) 25.247 10.891 ( 14.119 1.580 9.175) 16.912 10.913 ( 13.715 0.709 4.320) 14.397 11.119 ( -4.464 -1.238 32.593) 32.920 11.351 ( -10.753 3.467 -11.201) 15.909 11.687 ( -11.804 -0.866 -21.911) 24.903 14.285 ( -1.475 2.186 8.656) 9.049 14.374 ( -11.255 -1.018 -2.334) 11.540 14.494 ( -12.375 -0.667 -7.052) 14.259 14.551 ( -10.342 0.438 -15.670) 18.781 16.850 ( 12.600 0.099 10.792) 16.590 17.034 ( 3.209 -0.284 -3.343) 4.642 17.707 ( -9.001 0.222 -5.234) 10.415 18.301 ( -15.553 1.654 -6.220) 16.832======================= Grid point 435 (134/155) =======================q-point: ( 0.40 0.10 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.550 ( 7.099 -12.162 7.829) 16.112 2.695 ( 4.003 -10.593 -4.965) 12.365 2.743 ( 0.911 -12.278 0.901) 12.345 3.067 ( -5.622 -0.394 1.089) 5.740 3.149 ( 2.796 0.957 3.803) 4.816 3.228 ( -2.077 -0.006 -5.595) 5.968 3.286 ( 0.920 5.764 2.402) 6.312 3.360 ( -7.555 10.285 3.211) 13.159 3.509 ( -7.218 18.853 -8.370) 21.854 3.838 ( 0.133 1.338 5.075) 5.250 3.877 ( 2.373 1.646 -1.631) 3.317 5.175 ( 2.810 -12.213 0.376) 12.538 5.376 ( 3.796 -9.309 -0.789) 10.084 5.723 ( 0.778 9.402 2.367) 9.726 5.817 ( -1.882 8.270 1.337) 8.587 6.272 ( -3.129 -8.778 2.183) 9.571 6.316 ( -0.114 -8.300 -1.306) 8.403 6.379 ( 0.070 0.121 9.770) 9.771 7.629 ( -1.366 -0.024 -2.915) 3.219 8.125 ( -1.937 4.177 1.044) 4.721 8.542 ( -1.439 2.834 -4.958) 5.890 8.569 ( 0.716 -0.853 0.462) 1.206 8.786 ( 2.897 7.903 -0.763) 8.452 9.020 ( 1.031 11.660 0.269) 11.709 9.489 ( -1.880 -5.785 -0.012) 6.083 9.663 ( -0.893 -5.865 -0.253) 5.938 10.507 ( 10.930 -4.068 11.381) 16.296 10.730 ( -2.413 -1.061 3.053) 4.034 10.830 ( 8.875 -2.703 -4.025) 10.113 10.976 ( -11.232 -0.154 22.308) 24.977 11.040 ( 8.777 1.765 21.219) 23.031 11.117 ( -10.001 2.775 -2.681) 10.720 11.381 ( -23.587 -0.911 -10.482) 25.827 11.414 ( 23.725 0.733 -11.161) 26.229 14.200 ( -8.753 -2.737 -3.482) 9.810 14.302 ( 5.578 2.813 -2.240) 6.637 14.390 ( -0.238 -0.657 -8.844) 8.872 14.460 ( 1.307 0.338 -6.722) 6.856 17.010 ( -0.225 -0.004 9.265) 9.268 17.039 ( 0.825 0.048 2.655) 2.780 17.620 ( 0.047 0.138 -6.479) 6.481 18.120 ( -2.445 0.158 -9.246) 9.565======================= Grid point 436 (135/155) =======================q-point: (-0.50 0.10 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.623 ( -2.317 2.317 3.153) 4.547 2.829 ( 0.114 -15.151 2.097) 15.296 2.883 ( -4.182 -4.797 -0.178) 6.366 2.974 ( -3.986 0.345 9.569) 10.372 3.122 ( -2.273 6.598 -0.566) 7.001 3.149 ( -4.400 3.765 -1.902) 6.096 3.225 ( 4.612 -2.234 -5.142) 7.260 3.309 ( 3.757 2.873 -1.537) 4.973 3.407 ( 3.969 0.292 -4.160) 5.757 3.809 ( -5.888 3.541 -1.920) 7.134 3.858 ( 2.881 0.802 5.222) 6.018 5.312 ( 3.788 -6.993 -0.478) 7.968 5.483 ( 1.652 -2.808 -0.436) 3.287 5.615 ( -4.859 8.101 4.137) 10.313 5.707 ( -4.026 4.107 -0.462) 5.770 6.206 ( -17.480 -0.221 10.254) 20.266 6.290 ( -2.743 -8.421 0.866) 8.898 6.389 ( 1.559 -4.234 -0.664) 4.561 7.671 ( 5.185 -1.283 -4.065) 6.712 8.052 ( -4.728 0.005 1.898) 5.095 8.501 ( -1.088 1.640 -3.453) 3.974 8.667 ( 8.762 0.960 2.201) 9.085 8.759 ( 1.423 5.678 -3.136) 6.641 8.950 ( -0.109 7.266 0.344) 7.275 9.530 ( 1.351 -4.920 0.295) 5.110 9.698 ( 0.665 -3.428 -0.794) 3.581 10.445 ( -13.860 6.571 2.692) 15.574 10.673 ( -19.717 0.215 11.307) 22.730 10.751 ( -20.725 3.853 0.887) 21.098 10.799 ( 4.985 -5.426 18.454) 19.871 10.869 ( -27.650 0.594 0.124) 27.656 11.127 ( 7.677 -2.480 8.229) 11.524 11.219 ( 9.380 -1.754 4.489) 10.545 11.727 ( 12.487 1.248 -21.726) 25.090 14.162 ( 1.313 -4.741 6.770) 8.369 14.419 ( 9.462 1.375 -0.891) 9.603 14.476 ( 8.752 -0.875 -12.822) 15.549 14.589 ( 12.986 1.848 -9.285) 16.071 16.848 ( -12.957 0.007 9.786) 16.238 17.051 ( -2.370 0.667 -3.023) 3.898 17.701 ( 8.259 -0.068 -3.505) 8.972 18.224 ( 12.020 -2.348 -6.303) 13.774======================= Grid point 437 (136/155) =======================q-point: (-0.40 0.10 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.458 ( -9.034 11.988 7.218) 16.656 2.748 ( -5.851 10.778 -4.362) 13.016 2.792 ( -10.737 2.097 4.897) 11.986 2.875 ( -2.924 0.403 2.429) 3.822 3.009 ( -4.636 0.412 -4.936) 6.785 3.230 ( -0.074 -9.932 0.953) 9.978 3.351 ( -3.070 -4.035 -3.910) 6.403 3.396 ( 1.001 -14.021 1.326) 14.119 3.491 ( 11.446 -2.624 0.472) 11.752 3.773 ( 8.277 3.611 1.490) 9.153 3.924 ( 5.282 0.216 2.549) 5.869 5.328 ( -5.958 13.164 2.000) 14.587 5.388 ( -5.637 8.438 2.456) 10.441 5.529 ( -2.641 -3.897 -1.465) 4.931 5.664 ( -2.164 -7.175 -0.162) 7.496 5.845 ( -20.163 -1.917 9.012) 22.168 6.337 ( -0.361 -10.807 -0.181) 10.814 6.437 ( 2.770 2.490 -1.662) 4.079 7.800 ( 7.073 -1.296 -5.823) 9.253 7.969 ( -7.921 -8.644 2.292) 11.946 8.470 ( -1.758 0.717 -1.757) 2.587 8.670 ( -1.400 6.202 -1.449) 6.521 8.887 ( 10.444 1.058 0.573) 10.513 8.898 ( -0.495 3.758 0.499) 3.823 9.573 ( -3.764 -1.550 -0.117) 4.073 9.732 ( 1.030 0.174 -0.378) 1.111 10.053 ( -23.727 -2.833 0.459) 23.900 10.233 ( -28.991 -0.209 6.995) 29.823 10.314 ( -20.515 2.301 -0.006) 20.644 10.482 ( -12.582 8.445 0.305) 15.156 10.883 ( -1.781 -2.093 28.390) 28.522 11.230 ( 6.086 -1.064 30.774) 31.388 11.426 ( 8.688 -1.943 -22.352) 24.059 11.863 ( 5.811 1.629 -28.225) 28.863 14.303 ( 9.168 -4.788 17.322) 20.175 14.603 ( 11.929 0.935 5.878) 13.331 14.684 ( 12.873 -2.376 -16.836) 21.326 14.830 ( 15.278 2.445 -13.639) 20.626 16.581 ( -17.411 -0.034 5.033) 18.124 17.007 ( -0.292 0.785 -3.041) 3.154 17.875 ( 10.568 -0.876 -2.311) 10.853 18.516 ( 16.461 -4.296 -1.700) 17.097======================= Grid point 438 (137/155) =======================q-point: (-0.30 0.10 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.174 ( -10.445 13.505 9.740) 19.656 2.475 ( -16.902 11.004 4.310) 20.624 2.540 ( -8.610 13.225 -4.410) 16.385 2.813 ( -7.629 -2.470 -4.270) 9.085 2.903 ( -1.117 5.250 -3.794) 6.573 3.208 ( -6.792 -9.821 1.414) 12.024 3.384 ( 0.038 -11.193 -0.717) 11.216 3.566 ( 4.174 -11.045 -0.010) 11.807 3.772 ( 14.709 -3.565 6.278) 16.386 3.917 ( 7.710 2.040 9.288) 12.242 4.062 ( 10.749 0.006 -4.458) 11.637 5.027 ( -12.451 13.492 7.892) 19.983 5.169 ( -9.843 9.811 -3.389) 14.305 5.304 ( -19.765 3.365 7.011) 21.240 5.734 ( 3.490 -8.025 -0.935) 8.801 5.765 ( 0.571 -8.878 -1.176) 8.973 6.418 ( 2.204 8.055 -0.886) 8.398 6.480 ( 2.998 -13.580 -3.093) 14.247 7.889 ( 1.028 -1.069 -4.401) 4.644 7.958 ( -4.611 -17.627 -0.115) 18.220 8.402 ( -4.880 3.132 0.502) 5.820 8.600 ( -1.397 4.102 -3.195) 5.384 8.855 ( -1.447 2.477 0.471) 2.907 8.961 ( -3.418 2.602 3.072) 5.281 9.253 ( -24.904 0.716 -3.935) 25.223 9.697 ( -2.917 7.338 0.447) 7.910 9.816 ( -15.798 -3.691 4.381) 16.805 9.932 ( -6.604 -3.945 0.437) 7.705 10.011 ( -5.176 0.649 -1.581) 5.451 10.243 ( -7.243 6.666 1.639) 9.979 10.814 ( -5.266 0.239 36.770) 37.146 11.355 ( 6.460 -0.199 30.680) 31.353 11.520 ( 1.291 -0.800 -30.885) 30.922 11.947 ( 5.529 1.461 -28.510) 29.078 14.509 ( 10.047 -1.456 19.688) 22.151 14.796 ( 10.375 1.112 9.756) 14.285 14.950 ( 13.458 -4.929 -15.493) 21.106 15.061 ( 13.103 2.207 -14.897) 19.962 16.251 ( -19.950 -0.657 -0.396) 19.964 17.044 ( 4.628 0.433 -0.301) 4.658 18.073 ( 10.224 -2.218 -1.492) 10.568 18.825 ( 13.395 -5.264 0.907) 14.420======================= Grid point 439 (138/155) =======================q-point: (-0.20 0.10 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( -13.318 6.529 9.935) 17.852 2.055 ( -13.184 16.782 11.603) 24.292 2.317 ( -2.687 17.914 -13.134) 22.374 2.685 ( -6.913 -1.474 -4.255) 8.250 2.883 ( 1.079 3.166 -1.334) 3.601 3.192 ( -4.505 -10.077 -2.243) 11.264 3.477 ( 0.146 -11.138 4.152) 11.888 3.710 ( 2.465 -10.010 0.953) 10.353 3.959 ( 4.613 2.271 13.608) 14.547 4.048 ( 9.291 2.492 2.621) 9.970 4.242 ( 9.758 3.696 -3.780) 11.098 4.726 ( -10.463 8.581 11.628) 17.842 4.943 ( -8.417 3.860 -2.414) 9.569 4.978 ( -11.705 4.184 3.375) 12.880 5.845 ( 2.567 -6.113 -3.253) 7.385 5.881 ( 3.191 -7.931 -1.757) 8.728 6.338 ( 0.295 14.054 -2.556) 14.287 6.702 ( 4.885 -20.969 -2.940) 21.730 7.864 ( -2.742 2.914 -4.169) 5.779 8.077 ( -2.187 -26.713 0.074) 26.802 8.254 ( -6.401 7.143 0.640) 9.613 8.522 ( -5.901 0.747 3.234) 6.770 8.762 ( -6.893 1.118 -5.223) 8.720 8.852 ( -2.352 1.454 1.372) 3.086 8.917 ( -11.098 0.167 -5.178) 12.248 9.513 ( -5.859 16.994 2.344) 18.128 9.663 ( -6.640 10.020 0.940) 12.057 9.765 ( -2.328 -3.463 -1.408) 4.404 10.124 ( -0.101 -1.460 2.494) 2.891 10.139 ( 1.994 -6.612 1.183) 7.007 10.733 ( -3.298 0.116 40.450) 40.585 11.438 ( 3.677 2.098 29.304) 29.608 11.521 ( -1.051 -0.805 -34.402) 34.428 12.021 ( 3.614 0.918 -26.820) 27.078 14.651 ( 5.895 1.500 13.744) 15.030 14.929 ( 5.742 1.761 11.604) 13.066 15.159 ( 6.495 -0.063 -11.922) 13.577 15.306 ( 15.255 -3.112 -11.205) 19.182 15.917 ( -18.898 -2.670 -3.678) 19.437 17.133 ( 4.738 0.103 0.646) 4.783 18.252 ( 6.913 -3.378 -0.472) 7.709 19.049 ( 7.019 -5.141 1.869) 8.899======================= Grid point 440 (139/155) =======================q-point: (-0.10 0.10 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.689 ( 0.000 2.937 8.978) 9.447 1.812 ( 0.000 16.718 15.882) 23.059 2.161 ( 0.000 14.135 -15.464) 20.950 2.628 ( -0.000 -0.805 -4.384) 4.457 2.872 ( 0.000 2.137 -1.186) 2.444 3.221 ( -0.000 -7.555 -2.962) 8.115 3.570 ( -0.000 -11.400 5.128) 12.501 3.809 ( -0.000 -8.553 4.748) 9.782 3.973 ( 0.000 3.233 11.252) 11.708 4.091 ( 0.000 6.206 1.576) 6.403 4.291 ( 0.000 7.754 -4.683) 9.059 4.576 ( 0.000 3.116 14.039) 14.381 4.832 ( 0.000 0.961 12.275) 12.312 4.872 ( 0.000 1.715 -11.823) 11.947 5.914 ( -0.000 -4.450 -3.032) 5.385 5.968 ( -0.000 -6.060 -2.805) 6.678 6.229 ( 0.000 12.077 -2.879) 12.416 6.933 ( -0.000 -20.045 -2.941) 20.259 7.797 ( 0.000 4.204 -4.036) 5.828 8.115 ( 0.000 8.085 0.721) 8.117 8.297 ( -0.000 -29.091 1.106) 29.112 8.458 ( -0.000 -1.782 6.836) 7.064 8.690 ( -0.000 -0.522 -11.786) 11.798 8.819 ( 0.000 1.890 0.335) 1.920 8.837 ( 0.000 0.756 -2.999) 3.093 9.288 ( 0.000 21.727 1.672) 21.791 9.498 ( 0.000 10.933 -0.332) 10.938 9.795 ( -0.000 -3.607 0.375) 3.627 10.097 ( 0.000 1.134 1.932) 2.240 10.255 ( -0.000 -8.626 2.265) 8.918 10.704 ( -0.000 -0.122 41.549) 41.549 11.451 ( 0.000 2.567 28.709) 28.824 11.513 ( -0.000 -0.263 -36.335) 36.336 12.049 ( 0.000 0.190 -24.806) 24.807 14.688 ( 0.000 1.860 9.790) 9.966 14.964 ( 0.000 1.845 12.123) 12.262 15.206 ( 0.000 1.474 -12.284) 12.372 15.546 ( -0.000 -0.010 -5.049) 5.049 15.701 ( -0.000 -6.544 -6.374) 9.135 17.179 ( -0.000 -0.011 0.640) 0.640 18.344 ( -0.000 -3.143 -0.171) 3.148 19.148 ( -0.000 -3.982 1.775) 4.359======================= Grid point 443 (140/155) =======================q-point: ( 0.20 0.20 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.177 ( 10.220 0.000 10.121) 14.383 2.361 ( 7.042 0.000 -8.150) 10.771 2.721 ( -2.742 -0.000 -0.893) 2.884 3.041 ( 8.340 0.000 8.893) 12.192 3.222 ( -9.504 -0.000 -1.842) 9.681 3.248 ( 4.709 0.000 -8.874) 10.046 3.348 ( -9.603 -0.000 -2.007) 9.810 3.682 ( -5.034 -0.000 11.618) 12.662 3.732 ( 10.907 0.000 -0.289) 10.911 3.949 ( -5.789 -0.000 2.038) 6.138 3.984 ( -6.683 -0.000 -5.408) 8.597 4.860 ( 5.960 0.000 4.734) 7.611 5.122 ( 6.540 0.000 -4.492) 7.934 5.831 ( 5.420 0.000 2.569) 5.997 5.945 ( 5.090 0.000 2.771) 5.796 6.109 ( -2.419 -0.000 1.556) 2.876 6.230 ( 14.799 0.000 8.045) 16.844 6.275 ( -10.355 -0.000 -2.828) 10.734 7.715 ( -6.724 -0.000 -4.145) 7.899 8.223 ( -0.944 -0.000 0.074) 0.947 8.574 ( 0.547 0.000 -4.828) 4.859 8.655 ( -10.468 -0.000 -0.442) 10.477 8.860 ( 8.943 0.000 1.398) 9.051 9.327 ( 3.925 0.000 -1.033) 4.059 9.431 ( -4.510 -0.000 0.068) 4.510 9.434 ( 0.138 0.000 2.603) 2.607 10.195 ( 13.383 0.000 7.038) 15.121 10.437 ( 13.535 0.000 -6.655) 15.082 10.755 ( 22.524 0.000 11.276) 25.189 10.906 ( -3.095 -0.000 14.869) 15.188 10.917 ( 31.946 0.000 -3.311) 32.117 11.107 ( -5.185 -0.000 33.427) 33.827 11.380 ( -10.688 -0.000 -9.768) 14.479 11.680 ( -11.690 -0.000 -21.968) 24.885 14.303 ( -0.971 -0.000 8.562) 8.617 14.366 ( -11.549 -0.000 -2.750) 11.872 14.486 ( -12.768 -0.000 -5.752) 14.004 14.558 ( -10.541 -0.000 -16.536) 19.610 16.851 ( 12.466 0.000 10.964) 16.602 17.031 ( 3.346 0.000 -3.399) 4.770 17.709 ( -9.138 -0.000 -5.461) 10.646 18.315 ( -16.159 -0.000 -6.305) 17.346======================= Grid point 444 (141/155) =======================q-point: ( 0.30 0.20 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.367 ( 7.783 -6.907 8.455) 13.407 2.513 ( 6.787 -6.998 -5.315) 11.104 2.682 ( -1.831 -0.759 -1.005) 2.222 3.062 ( -8.324 -0.192 2.113) 8.591 3.164 ( 5.681 0.665 3.371) 6.639 3.222 ( -4.088 -0.377 -6.709) 7.865 3.306 ( 3.068 0.103 -2.865) 4.199 3.526 ( -9.414 5.729 11.917) 16.232 3.728 ( -10.425 6.019 -8.137) 14.530 3.879 ( -1.302 3.209 4.468) 5.653 3.920 ( 3.539 2.956 -3.120) 5.567 5.001 ( 5.883 -7.097 2.009) 9.435 5.249 ( 5.205 -4.890 -1.718) 7.346 5.869 ( 1.865 7.326 2.748) 8.044 5.952 ( -1.340 8.125 2.344) 8.562 6.108 ( -3.111 -10.120 3.036) 11.014 6.174 ( -2.857 -7.196 -4.188) 8.803 6.380 ( 0.211 0.039 9.620) 9.622 7.628 ( -2.211 -0.015 -2.913) 3.657 8.189 ( -2.375 2.647 1.462) 3.845 8.540 ( -1.278 -1.243 0.773) 1.943 8.581 ( 0.148 0.956 -7.147) 7.213 8.944 ( 4.663 8.601 1.373) 9.879 9.261 ( 0.570 16.604 0.319) 16.617 9.374 ( -3.529 -6.485 -0.008) 7.383 9.511 ( -0.773 -12.981 0.064) 13.005 10.443 ( 12.715 -2.627 13.998) 19.092 10.722 ( 14.076 -0.068 -11.631) 18.260 10.795 ( -5.337 -1.334 3.794) 6.682 10.975 ( -11.486 -0.023 25.324) 27.807 11.058 ( 11.881 0.526 23.326) 26.183 11.156 ( -14.068 1.431 -3.690) 14.614 11.371 ( -24.086 -0.354 -10.250) 26.179 11.422 ( 24.346 0.265 -11.689) 27.008 14.168 ( -9.828 -1.075 -3.900) 10.628 14.339 ( 4.715 1.557 -2.793) 5.698 14.377 ( 0.057 -0.822 -6.996) 7.045 14.465 ( 1.649 0.189 -7.665) 7.843 17.010 ( -0.332 -0.002 9.164) 9.170 17.040 ( 1.305 0.029 2.658) 2.961 17.622 ( 0.063 0.085 -6.302) 6.302 18.123 ( -3.951 0.098 -9.406) 10.203======================= Grid point 445 (142/155) =======================q-point: (-0.60 0.20 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( 3.735 -10.995 6.153) 13.141 2.647 ( -2.169 -7.139 0.901) 7.516 2.709 ( 3.996 -6.210 -6.235) 9.664 2.950 ( -3.796 -1.284 10.141) 10.904 3.192 ( 0.735 -0.629 -10.968) 11.011 3.241 ( 1.666 2.916 0.594) 3.411 3.285 ( -9.153 7.497 7.428) 13.970 3.373 ( 3.958 1.829 1.279) 4.544 3.483 ( -7.214 8.604 -7.786) 13.664 3.874 ( -0.216 3.301 0.473) 3.341 3.883 ( -0.628 3.002 1.853) 3.583 5.165 ( 5.529 -8.586 0.554) 10.228 5.374 ( 3.426 -6.973 -0.338) 7.777 5.778 ( -4.483 9.679 3.239) 11.148 5.820 ( -5.417 7.681 0.385) 9.406 6.122 ( -5.124 -10.390 2.537) 11.859 6.199 ( -11.613 -2.478 5.241) 12.979 6.278 ( -2.181 -6.689 1.708) 7.240 7.654 ( 4.544 -0.814 -4.052) 6.142 8.086 ( -6.969 3.056 2.436) 7.990 8.531 ( -1.166 1.395 -3.262) 3.735 8.665 ( 10.044 -0.804 -0.973) 10.123 8.909 ( 1.561 11.541 0.573) 11.660 9.133 ( -0.600 13.917 0.607) 13.943 9.414 ( 0.300 -8.818 0.624) 8.845 9.600 ( 1.323 -8.569 -1.325) 8.771 10.530 ( -17.279 3.563 2.739) 17.854 10.660 ( -5.535 -2.047 14.819) 15.951 10.707 ( -7.367 -3.145 13.359) 15.577 10.793 ( -27.340 0.770 4.422) 27.706 10.908 ( -19.774 3.045 -2.391) 20.150 11.074 ( 12.706 -3.289 -10.920) 17.074 11.210 ( 7.592 0.045 23.289) 24.495 11.744 ( 12.801 0.737 -21.708) 25.212 14.093 ( -0.103 -3.293 4.923) 5.924 14.439 ( 8.689 1.042 -1.511) 8.881 14.464 ( 8.538 -0.585 -10.330) 13.415 14.614 ( 13.686 1.114 -9.398) 16.640 16.848 ( -12.874 0.065 9.378) 15.928 17.060 ( -1.981 0.459 -2.914) 3.553 17.700 ( 7.935 0.017 -2.515) 8.324 18.194 ( 10.440 -1.356 -6.669) 12.463======================= Grid point 446 (143/155) =======================q-point: (-0.50 0.20 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.564 ( -6.976 0.573 5.661) 9.002 2.704 ( -1.326 -10.645 -2.910) 11.114 2.737 ( -4.749 -3.134 2.402) 6.176 2.969 ( -0.188 2.439 8.301) 8.654 3.075 ( -5.595 -3.125 1.118) 6.505 3.142 ( -4.483 9.111 -0.963) 10.200 3.260 ( 1.823 -3.966 -8.485) 9.542 3.341 ( -5.470 3.627 -0.610) 6.592 3.483 ( 9.937 0.866 -1.303) 10.060 3.840 ( 6.470 4.265 0.591) 7.772 3.938 ( 5.443 1.383 3.143) 6.436 5.325 ( 4.238 -7.505 0.600) 8.640 5.480 ( 1.776 -6.525 0.458) 6.778 5.555 ( -11.287 9.903 4.428) 15.655 5.636 ( -9.295 5.005 -1.233) 10.629 5.852 ( -20.762 2.869 8.305) 22.544 6.131 ( -5.295 -13.123 -0.236) 14.153 6.395 ( 5.148 -7.023 -1.496) 8.835 7.779 ( 7.825 -1.191 -5.770) 9.795 7.896 ( -12.950 -0.606 2.574) 13.217 8.499 ( -0.628 2.055 -2.883) 3.596 8.813 ( 1.103 10.527 1.890) 10.752 8.893 ( 10.617 0.467 -0.641) 10.647 9.025 ( -0.264 10.512 0.697) 10.539 9.499 ( 0.004 -7.107 0.840) 7.157 9.696 ( 3.245 -4.287 -1.433) 5.565 9.992 ( -36.456 -3.705 1.421) 36.671 10.220 ( -33.284 -1.014 5.054) 33.680 10.387 ( -13.127 5.326 0.243) 14.168 10.607 ( -11.839 6.386 1.515) 13.536 10.825 ( 1.153 -4.776 26.980) 27.424 11.201 ( 3.827 -1.895 20.994) 21.424 11.415 ( 11.626 0.225 -13.011) 17.450 11.888 ( 6.100 1.370 -28.185) 28.870 14.210 ( 8.318 -6.027 14.432) 17.714 14.617 ( 11.747 0.943 2.906) 12.138 14.660 ( 12.384 -0.777 -10.699) 16.384 14.867 ( 15.411 1.867 -13.990) 20.897 16.584 ( -17.062 0.370 4.846) 17.741 17.020 ( -0.490 0.686 -3.104) 3.217 17.863 ( 9.773 -0.536 -1.128) 9.852 18.452 ( 15.313 -3.298 -1.753) 15.761======================= Grid point 447 (144/155) =======================q-point: (-0.40 0.20 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.331 ( -15.468 6.258 7.263) 18.198 2.618 ( -7.727 7.155 7.403) 12.873 2.691 ( -5.732 -2.098 -6.056) 8.598 2.856 ( -3.519 11.162 -0.469) 11.713 2.974 ( -4.738 -4.019 -4.021) 7.401 3.094 ( -8.932 3.768 0.597) 9.713 3.202 ( 1.932 -9.014 4.107) 10.093 3.411 ( 4.977 -7.393 -6.049) 10.771 3.741 ( 17.650 -0.771 3.585) 18.027 3.954 ( 6.312 2.332 9.515) 11.654 4.084 ( 13.434 2.192 -3.991) 14.184 5.206 ( -16.779 6.875 7.072) 19.464 5.287 ( -13.470 6.592 8.432) 17.205 5.413 ( -13.517 8.626 -4.456) 16.642 5.593 ( 1.244 -8.328 0.645) 8.446 5.614 ( 0.360 -9.236 -1.099) 9.308 6.177 ( -3.766 -18.911 -2.018) 19.387 6.535 ( 7.135 1.508 -1.896) 7.535 7.687 ( -14.497 -10.866 2.330) 18.266 7.908 ( 5.366 0.238 -6.835) 8.693 8.470 ( -0.492 4.005 -1.036) 4.166 8.710 ( -2.433 9.588 -0.854) 9.929 8.941 ( -1.773 7.071 0.524) 7.309 9.008 ( -1.590 3.144 3.974) 5.311 9.245 ( -26.569 -1.240 -3.776) 26.865 9.706 ( -13.078 -6.057 2.737) 14.670 9.770 ( -5.879 -6.338 1.493) 8.773 9.783 ( 1.393 -4.527 -0.627) 4.778 10.118 ( -11.135 7.876 0.199) 13.640 10.373 ( -8.110 8.247 1.497) 11.663 10.806 ( -4.749 -1.388 35.716) 36.057 11.314 ( 5.539 -4.186 21.557) 22.648 11.532 ( 2.667 1.772 -22.351) 22.579 11.980 ( 6.549 2.530 -29.034) 29.871 14.443 ( 11.006 -6.739 21.424) 25.010 14.809 ( 10.273 0.650 2.865) 10.685 14.890 ( 12.179 -1.933 -10.222) 16.017 15.101 ( 13.095 2.429 -14.829) 19.932 16.251 ( -20.007 0.670 -0.479) 20.024 17.052 ( 4.290 0.445 -0.394) 4.331 18.040 ( 9.035 -1.733 -0.274) 9.203 18.739 ( 12.682 -4.942 1.206) 13.664======================= Grid point 448 (145/155) =======================q-point: (-0.30 0.20 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.978 ( -16.682 5.994 7.079) 19.088 2.372 ( -5.847 19.229 10.138) 22.510 2.599 ( -1.707 8.447 -6.515) 10.803 2.684 ( -5.892 8.206 -4.975) 11.261 2.950 ( 0.262 3.588 -2.418) 4.334 3.001 ( -5.178 -11.120 -2.017) 12.431 3.304 ( 0.810 -9.506 6.346) 11.459 3.551 ( 2.843 -9.066 -3.285) 10.053 3.992 ( 5.024 2.111 12.385) 13.531 4.082 ( 15.076 1.728 2.789) 15.429 4.311 ( 13.734 4.501 -2.384) 14.648 4.860 ( -15.352 7.108 9.990) 19.647 4.990 ( -12.422 3.412 10.725) 16.762 5.091 ( -12.360 8.366 -8.278) 17.067 5.724 ( 2.370 -8.755 -1.953) 9.278 5.730 ( 3.358 -10.111 -2.458) 10.933 6.314 ( -1.099 -25.283 -3.171) 25.505 6.576 ( 3.829 13.474 -2.612) 14.249 7.623 ( -8.216 -24.654 2.528) 26.109 7.937 ( -0.494 3.098 -6.678) 7.378 8.399 ( -1.523 9.111 0.640) 9.259 8.543 ( -10.425 2.186 2.105) 10.857 8.782 ( -9.378 1.386 -3.841) 10.229 8.870 ( -6.875 0.461 -0.244) 6.895 8.967 ( -3.213 6.466 -2.724) 7.717 9.639 ( 0.219 -6.851 0.953) 6.921 9.736 ( -2.351 9.251 3.404) 10.134 9.851 ( -3.333 5.632 -0.296) 6.551 9.952 ( 0.181 -8.746 0.997) 8.804 10.204 ( -3.562 6.921 0.972) 7.844 10.730 ( -3.798 -0.528 39.686) 39.871 11.432 ( 3.964 -3.031 22.738) 23.279 11.522 ( -1.199 0.959 -27.141) 27.185 12.057 ( 4.428 3.615 -28.713) 29.277 14.652 ( 7.130 -2.657 20.508) 21.875 14.950 ( 5.926 0.582 6.568) 8.866 15.107 ( 8.380 -4.849 -11.449) 14.994 15.300 ( 12.952 2.038 -12.619) 18.197 15.893 ( -19.933 -0.063 -4.036) 20.338 17.135 ( 4.507 0.126 0.609) 4.549 18.195 ( 5.909 -3.286 0.736) 6.801 18.956 ( 6.716 -5.892 2.492) 9.275======================= Grid point 449 (146/155) =======================q-point: (-0.20 0.20 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 0.000 5.663 7.708) 9.564 2.146 ( 0.000 22.481 12.382) 25.665 2.454 ( 0.000 20.554 -12.251) 23.928 2.608 ( -0.000 -1.741 -2.496) 3.043 2.922 ( 0.000 3.999 -1.034) 4.131 3.054 ( -0.000 -12.494 -3.715) 13.035 3.389 ( -0.000 -10.351 7.319) 12.677 3.652 ( -0.000 -9.759 -1.693) 9.905 4.011 ( 0.000 1.853 12.414) 12.552 4.212 ( 0.000 7.722 1.477) 7.862 4.419 ( 0.000 7.594 -2.604) 8.028 4.635 ( 0.000 3.625 15.064) 15.494 4.855 ( 0.000 1.938 11.710) 11.870 4.919 ( 0.000 4.234 -12.310) 13.018 5.815 ( -0.000 -7.607 -2.213) 7.922 5.842 ( -0.000 -9.342 -3.086) 9.839 6.473 ( 0.000 17.082 -2.943) 17.334 6.531 ( -0.000 -27.865 -3.479) 28.081 7.777 ( -0.000 -25.950 3.424) 26.175 7.894 ( 0.000 0.063 -6.687) 6.687 8.288 ( 0.000 12.374 0.404) 12.381 8.438 ( -0.000 -1.495 5.845) 6.034 8.679 ( -0.000 -0.704 -9.971) 9.996 8.823 ( 0.000 0.098 -2.180) 2.182 8.903 ( 0.000 6.187 -0.005) 6.187 9.590 ( 0.000 15.474 5.252) 16.341 9.711 ( -0.000 -6.510 0.584) 6.536 9.714 ( 0.000 13.743 -3.146) 14.099 10.074 ( -0.000 -13.024 1.903) 13.162 10.134 ( 0.000 3.865 1.709) 4.226 10.700 ( -0.000 -0.486 41.023) 41.026 11.481 ( 0.000 0.376 31.409) 31.411 11.506 ( -0.000 -0.592 -36.510) 36.515 12.069 ( 0.000 2.701 -28.323) 28.451 14.719 ( 0.000 1.104 14.557) 14.599 14.995 ( 0.000 1.473 10.292) 10.397 15.210 ( -0.000 -2.206 -11.782) 11.987 15.546 ( -0.000 -0.016 -5.067) 5.067 15.595 ( -0.000 -4.169 -9.301) 10.193 17.179 ( -0.000 -0.018 0.640) 0.640 18.282 ( -0.000 -4.152 0.826) 4.233 19.064 ( -0.000 -5.981 2.667) 6.549======================= Grid point 454 (147/155) =======================q-point: ( 0.30 0.30 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.447 ( 4.792 0.000 5.323) 7.162 2.561 ( 0.778 0.000 -0.984) 1.254 2.685 ( 2.641 0.000 -3.963) 4.763 2.940 ( -4.296 -0.000 10.060) 10.939 3.186 ( 0.295 0.000 -11.948) 11.952 3.257 ( 4.052 0.000 0.662) 4.105 3.347 ( -11.085 -0.000 6.732) 12.969 3.390 ( 3.252 0.000 2.239) 3.948 3.563 ( -9.502 -0.000 -5.969) 11.222 3.899 ( 2.380 0.000 4.696) 5.265 3.924 ( -3.384 -0.000 -3.451) 4.833 5.087 ( 6.701 0.000 0.905) 6.762 5.311 ( 3.933 0.000 -0.363) 3.950 5.878 ( -6.271 -0.000 3.602) 7.232 5.922 ( -7.554 -0.000 0.356) 7.562 5.990 ( -3.489 -0.000 3.553) 4.980 6.142 ( 2.962 0.000 -3.059) 4.258 6.238 ( -14.447 -0.000 8.408) 16.716 7.647 ( 4.296 0.000 -4.048) 5.902 8.117 ( -7.749 -0.000 2.730) 8.216 8.541 ( -0.668 -0.000 -2.397) 2.488 8.656 ( 9.844 0.000 -2.608) 10.183 9.043 ( 1.812 0.000 2.026) 2.718 9.305 ( -0.158 -0.000 0.269) 0.312 9.312 ( -5.346 -0.000 1.466) 5.543 9.470 ( 5.748 0.000 -2.053) 6.104 10.558 ( -22.056 -0.000 3.257) 22.295 10.627 ( 9.276 0.000 18.172) 20.403 10.697 ( -17.036 -0.000 9.083) 19.306 10.798 ( -30.922 -0.000 4.216) 31.208 10.937 ( -18.224 -0.000 -2.562) 18.403 11.042 ( 15.783 0.000 -14.016) 21.108 11.211 ( 7.429 0.000 26.690) 27.705 11.750 ( 12.923 0.000 -21.710) 25.265 14.065 ( -0.815 -0.000 4.170) 4.249 14.451 ( 8.334 0.000 1.033) 8.397 14.456 ( 8.656 0.000 -12.057) 14.843 14.623 ( 13.920 0.000 -9.527) 16.868 16.849 ( -12.804 -0.000 9.232) 15.786 17.064 ( -1.830 -0.000 -2.881) 3.413 17.701 ( 7.809 0.000 -2.100) 8.086 18.182 ( 9.837 0.000 -6.865) 11.995======================= Grid point 455 (148/155) =======================q-point: (-0.60 0.30 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.514 ( -1.851 -3.553 4.233) 5.828 2.568 ( 0.718 -4.677 -1.007) 4.838 2.717 ( -0.242 -0.170 -0.717) 0.776 2.944 ( 3.690 -1.555 11.190) 11.885 3.071 ( -17.963 0.262 1.874) 18.062 3.222 ( 3.155 -0.901 -12.606) 13.026 3.256 ( -4.570 3.365 4.417) 7.192 3.423 ( -2.279 3.778 -2.751) 5.199 3.505 ( 7.401 1.301 -1.441) 7.652 3.898 ( 4.465 2.289 0.105) 5.019 3.962 ( 5.410 1.077 2.892) 6.229 5.220 ( 6.242 -3.994 0.162) 7.412 5.384 ( 2.661 -3.667 0.088) 4.532 5.646 ( -17.907 1.933 6.164) 19.037 5.747 ( -8.653 7.493 0.559) 11.460 5.893 ( -14.042 -3.004 7.210) 16.068 5.971 ( -10.831 -2.313 -0.973) 11.118 6.267 ( 7.200 -6.347 -1.903) 9.784 7.765 ( 8.217 -0.469 -5.753) 10.041 7.911 ( -14.928 1.155 2.658) 15.206 8.524 ( -0.475 0.799 -3.107) 3.243 8.874 ( 13.063 -0.224 0.726) 13.085 9.008 ( -0.601 8.979 1.673) 9.153 9.188 ( -3.847 7.402 1.001) 8.401 9.368 ( 2.562 -7.263 0.976) 7.763 9.614 ( 6.944 -4.428 -1.656) 8.401 9.949 ( -41.516 -1.377 1.964) 41.585 10.210 ( -34.514 -0.263 4.146) 34.763 10.454 ( -11.872 2.368 0.340) 12.111 10.679 ( -11.457 2.262 1.796) 11.815 10.755 ( 3.279 -2.779 25.005) 25.372 11.180 ( 2.627 -0.681 15.184) 15.425 11.421 ( 13.344 0.270 -6.430) 14.815 11.904 ( 6.445 0.533 -28.053) 28.788 14.134 ( 6.737 -2.733 11.883) 13.931 14.634 ( 12.086 1.042 1.571) 12.232 14.649 ( 12.272 -0.744 -6.709) 14.006 14.888 ( 15.475 0.685 -14.273) 21.063 16.590 ( -16.632 0.230 4.842) 17.324 17.028 ( -0.637 0.273 -3.191) 3.265 17.858 ( 9.344 -0.172 -0.316) 9.351 18.415 ( 14.628 -1.218 -1.964) 14.810======================= Grid point 456 (149/155) =======================q-point: (-0.50 0.30 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.406 ( -11.325 3.481 6.904) 13.713 2.620 ( -2.103 -4.032 -4.703) 6.542 2.692 ( -1.475 2.295 4.961) 5.661 2.790 ( -14.064 -10.367 -0.439) 17.477 3.024 ( 1.650 1.495 5.157) 5.617 3.125 ( -2.825 3.835 6.749) 8.261 3.259 ( -2.647 7.663 -6.283) 10.257 3.332 ( 1.996 -1.499 -9.133) 9.468 3.739 ( 18.204 0.277 1.906) 18.305 3.990 ( 5.139 2.020 9.045) 10.598 4.121 ( 14.778 2.028 -3.335) 15.285 5.262 ( -17.262 1.883 8.184) 19.196 5.357 ( -2.356 -1.865 3.956) 4.968 5.468 ( -1.611 -5.381 -1.341) 5.775 5.502 ( -7.239 2.889 2.045) 8.058 5.582 ( -15.742 6.151 -0.845) 16.922 5.895 ( -8.429 -15.056 -2.444) 17.427 6.483 ( 11.214 -5.946 -1.551) 12.787 7.602 ( -18.979 -0.977 1.782) 19.088 7.911 ( 7.238 0.087 -6.829) 9.952 8.517 ( 0.891 1.936 -2.351) 3.173 8.880 ( -6.208 9.597 0.940) 11.468 9.047 ( -6.743 4.651 1.708) 8.368 9.064 ( 3.837 4.064 2.593) 6.161 9.233 ( -24.850 0.594 -1.324) 24.892 9.548 ( -0.764 -11.805 3.264) 12.272 9.664 ( -22.760 -3.103 -0.895) 22.988 9.762 ( 5.328 -1.657 -0.426) 5.596 10.226 ( -10.491 4.929 1.287) 11.663 10.484 ( -7.581 5.011 0.902) 9.132 10.773 ( -3.273 -2.296 34.743) 34.973 11.249 ( 4.169 -3.126 13.941) 14.883 11.560 ( 2.707 1.401 -16.136) 16.421 12.021 ( 8.454 2.120 -28.110) 29.430 14.320 ( 9.322 -6.948 17.845) 21.299 14.827 ( 10.463 1.524 -4.373) 11.442 14.874 ( 11.969 -0.684 0.741) 12.012 15.133 ( 13.239 1.386 -15.111) 20.138 16.266 ( -19.382 0.975 -0.291) 19.409 17.058 ( 3.992 0.281 -0.501) 4.034 18.019 ( 8.270 -0.875 0.834) 8.358 18.674 ( 12.174 -2.907 1.071) 12.562======================= Grid point 457 (150/155) =======================q-point: (-0.40 0.30 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( -15.161 8.077 5.434) 18.017 2.572 ( -4.509 -4.557 2.218) 6.783 2.615 ( -2.202 9.089 7.138) 11.765 2.765 ( -3.392 -12.360 -6.220) 14.246 2.925 ( -2.008 12.907 -1.523) 13.151 3.086 ( -1.916 7.575 0.058) 7.814 3.194 ( 1.567 -2.210 2.860) 3.940 3.428 ( 2.902 -5.927 -5.884) 8.841 4.030 ( 4.569 2.481 10.610) 11.816 4.105 ( 19.465 1.080 2.771) 19.690 4.380 ( 15.692 3.825 -1.359) 16.208 4.938 ( -16.028 2.790 9.199) 18.690 5.072 ( -16.034 6.363 11.598) 20.787 5.231 ( -14.185 8.793 -8.247) 18.615 5.556 ( 2.774 -10.327 -1.176) 10.758 5.588 ( 2.725 -8.018 -2.309) 8.778 5.920 ( -5.579 -22.357 -3.623) 23.326 6.718 ( 11.738 2.248 -1.799) 12.086 7.320 ( -16.103 -10.714 1.534) 19.402 7.985 ( 2.063 2.682 -6.748) 7.548 8.497 ( -3.253 3.205 -0.260) 4.574 8.586 ( -13.747 1.503 0.918) 13.860 8.808 ( -12.978 1.667 -2.565) 13.333 8.920 ( -3.859 6.942 0.398) 7.953 9.095 ( -0.252 8.620 -0.849) 8.665 9.511 ( -0.366 -8.111 1.664) 8.288 9.710 ( 3.138 -12.760 0.973) 13.177 9.833 ( 2.375 3.035 1.120) 4.013 10.021 ( -6.635 7.293 3.087) 10.332 10.330 ( -4.084 7.485 -0.868) 8.571 10.715 ( -3.840 -1.300 39.513) 39.720 11.364 ( 4.744 -4.527 13.729) 15.214 11.536 ( -2.943 0.566 -21.169) 21.380 12.131 ( 6.157 4.904 -27.145) 28.263 14.541 ( 7.008 -9.858 22.157) 25.243 14.961 ( 5.872 1.369 -6.033) 8.530 15.060 ( 7.931 -1.146 -0.848) 8.058 15.338 ( 12.408 2.088 -12.024) 17.404 15.911 ( -19.306 1.868 -3.870) 19.779 17.137 ( 4.275 0.100 0.568) 4.313 18.151 ( 5.153 -2.071 2.134) 5.950 18.870 ( 6.485 -4.448 2.442) 8.234======================= Grid point 458 (151/155) =======================q-point: (-0.30 0.30 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( 0.000 8.090 5.886) 10.005 2.479 ( 0.000 16.974 9.133) 19.275 2.568 ( -0.000 -3.617 1.914) 4.092 2.778 ( 0.000 17.884 -7.128) 19.252 2.838 ( -0.000 -13.340 -6.486) 14.833 3.008 ( 0.000 7.064 -0.680) 7.096 3.249 ( -0.000 -6.546 6.557) 9.265 3.509 ( -0.000 -7.563 -4.291) 8.696 4.042 ( 0.000 2.053 11.089) 11.278 4.327 ( 0.000 6.336 1.862) 6.604 4.529 ( 0.000 5.890 -1.672) 6.123 4.684 ( 0.000 2.407 14.084) 14.288 4.894 ( 0.000 2.761 12.654) 12.952 5.011 ( 0.000 7.117 -12.090) 14.029 5.669 ( -0.000 -10.587 -1.484) 10.690 5.685 ( -0.000 -8.895 -3.126) 9.428 6.075 ( -0.000 -27.317 -3.912) 27.595 6.748 ( 0.000 15.829 -2.698) 16.057 7.325 ( -0.000 -25.654 2.241) 25.752 7.960 ( 0.000 4.665 -5.968) 7.575 8.406 ( -0.000 -2.390 3.573) 4.299 8.477 ( 0.000 9.445 -0.536) 9.460 8.670 ( -0.000 -0.478 -7.083) 7.099 8.852 ( 0.000 4.434 -0.991) 4.544 9.025 ( 0.000 8.573 0.373) 8.581 9.590 ( -0.000 -8.202 1.080) 8.273 9.793 ( 0.000 9.194 4.406) 10.196 9.853 ( -0.000 -13.821 1.085) 13.863 9.896 ( 0.000 8.743 0.353) 8.750 10.231 ( 0.000 7.643 -0.373) 7.652 10.687 ( -0.000 -1.044 40.695) 40.708 11.456 ( -0.000 -3.233 29.892) 30.066 11.494 ( -0.000 -0.850 -36.881) 36.891 12.140 ( 0.000 5.705 -27.865) 28.443 14.681 ( -0.000 -7.117 22.764) 23.851 15.006 ( 0.000 0.423 -1.751) 1.801 15.150 ( -0.000 -3.033 -7.044) 7.670 15.546 ( -0.000 -0.016 -5.088) 5.088 15.601 ( 0.000 3.736 -9.600) 10.301 17.178 ( -0.000 -0.018 0.640) 0.640 18.220 ( -0.000 -3.187 2.306) 3.934 18.968 ( -0.000 -5.513 2.895) 6.227======================= Grid point 465 (152/155) =======================q-point: (-0.60 0.40 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.438 ( -4.473 -0.000 7.347) 8.602 2.591 ( 2.508 0.000 -5.049) 5.637 2.688 ( -23.572 -0.000 -0.015) 23.572 2.709 ( -0.437 -0.000 4.315) 4.337 3.016 ( 4.458 0.000 6.923) 8.235 3.180 ( -4.825 -0.000 7.394) 8.829 3.284 ( 4.039 0.000 -10.010) 10.794 3.365 ( -4.912 -0.000 -7.356) 8.845 3.742 ( 18.184 0.000 1.281) 18.229 4.009 ( 4.738 0.000 8.591) 9.811 4.139 ( 15.061 0.000 -2.980) 15.353 5.286 ( -20.846 -0.000 9.386) 22.862 5.311 ( 5.592 0.000 -0.051) 5.592 5.411 ( 2.086 0.000 -0.813) 2.238 5.571 ( -20.188 -0.000 9.434) 22.283 5.657 ( -7.417 -0.000 -2.942) 7.980 5.732 ( -14.490 -0.000 -4.969) 15.318 6.421 ( 12.515 0.000 -1.518) 12.606 7.602 ( -19.773 -0.000 1.572) 19.836 7.911 ( 7.961 0.000 -6.853) 10.504 8.533 ( 1.223 0.000 -2.600) 2.874 8.964 ( -13.623 -0.000 0.894) 13.652 9.090 ( 10.910 0.000 1.544) 11.019 9.100 ( -10.992 -0.000 1.074) 11.044 9.270 ( -26.285 -0.000 3.599) 26.530 9.409 ( 4.829 0.000 0.769) 4.890 9.644 ( -26.418 -0.000 -0.511) 26.423 9.743 ( 8.189 0.000 -0.647) 8.215 10.267 ( -10.284 -0.000 1.551) 10.400 10.526 ( -7.194 -0.000 0.541) 7.215 10.750 ( -2.371 -0.000 34.215) 34.297 11.223 ( 3.394 0.000 12.097) 12.564 11.572 ( 2.504 0.000 -14.787) 14.997 12.039 ( 9.468 0.000 -27.521) 29.104 14.258 ( 8.131 0.000 16.108) 18.044 14.846 ( 10.519 0.000 -14.461) 17.882 14.863 ( 12.194 0.000 12.588) 17.526 15.144 ( 13.269 0.000 -15.239) 20.207 16.275 ( -19.026 -0.000 -0.170) 19.027 17.060 ( 3.874 0.000 -0.549) 3.912 18.012 ( 8.018 0.000 1.285) 8.120 18.650 ( 11.993 0.000 0.939) 12.030======================= Grid point 467 (153/155) =======================q-point: (-0.50 0.40 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.240 ( -13.909 10.189 3.586) 17.611 2.436 ( -7.119 -11.045 7.238) 15.002 2.634 ( 0.509 -3.243 -9.339) 9.900 2.697 ( -0.263 1.902 6.348) 6.632 3.068 ( 0.749 3.417 3.524) 4.966 3.110 ( -0.907 0.513 7.736) 7.806 3.273 ( -2.147 5.505 -8.076) 10.007 3.360 ( 2.708 -2.507 -6.568) 7.534 4.064 ( 3.251 1.310 9.198) 9.844 4.118 ( 22.658 0.506 2.488) 22.800 4.427 ( 16.546 1.611 -0.657) 16.638 4.965 ( -15.352 0.758 9.210) 17.919 5.167 ( -20.652 4.207 10.841) 23.701 5.375 ( -10.740 8.238 -5.923) 14.775 5.422 ( 2.488 -4.442 -1.323) 5.260 5.487 ( 0.345 -3.880 -2.620) 4.694 5.615 ( -8.096 -14.298 -4.155) 16.949 6.678 ( 14.547 -3.543 -0.649) 14.986 7.259 ( -18.326 0.103 0.276) 18.329 8.017 ( 4.036 1.097 -7.097) 8.238 8.536 ( -12.339 2.051 -0.113) 12.509 8.576 ( -7.702 -1.886 -1.023) 7.995 8.828 ( -16.208 0.693 -1.940) 16.338 9.063 ( -2.205 7.878 2.304) 8.499 9.219 ( 3.579 5.276 0.861) 6.433 9.395 ( -3.784 -5.151 1.693) 6.612 9.527 ( 3.513 -8.221 -0.308) 8.946 9.858 ( 4.462 0.551 0.649) 4.543 10.107 ( -6.242 2.872 4.379) 8.148 10.420 ( -3.648 3.068 -2.120) 5.217 10.694 ( -3.523 -0.888 40.083) 40.247 11.307 ( 5.023 -2.048 11.202) 12.446 11.541 ( -4.306 0.106 -21.476) 21.904 12.195 ( 7.642 2.384 -25.439) 26.669 14.403 ( 5.511 -5.313 18.934) 20.423 14.988 ( 6.050 1.434 -12.231) 13.721 15.048 ( 7.855 -0.560 8.259) 11.412 15.361 ( 12.274 0.714 -11.683) 16.960 15.938 ( -18.465 1.050 -3.616) 18.845 17.138 ( 4.131 0.038 0.541) 4.167 18.129 ( 4.789 -0.676 3.071) 5.729 18.819 ( 6.368 -1.631 2.146) 6.915======================= Grid point 468 (154/155) =======================q-point: (-0.40 0.40 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( 0.000 9.802 3.577) 10.434 2.464 ( -0.000 -9.715 8.963) 13.218 2.663 ( 0.000 5.936 7.093) 9.249 2.671 ( -0.000 -5.942 -11.373) 12.831 3.003 ( 0.000 9.790 1.699) 9.936 3.112 ( 0.000 1.839 4.426) 4.793 3.213 ( 0.000 4.148 -4.329) 5.996 3.413 ( -0.000 -4.244 -5.141) 6.667 4.075 ( 0.000 1.852 9.588) 9.766 4.412 ( 0.000 3.965 1.806) 4.357 4.606 ( 0.000 3.493 -1.427) 3.773 4.713 ( 0.000 1.158 11.993) 12.048 4.939 ( 0.000 2.441 14.004) 14.215 5.149 ( 0.000 9.955 -10.750) 14.651 5.507 ( -0.000 -8.260 -1.276) 8.358 5.560 ( -0.000 -6.117 -2.345) 6.551 5.674 ( -0.000 -21.565 -4.526) 22.035 6.958 ( 0.000 9.307 -2.475) 9.631 6.986 ( -0.000 -15.176 2.019) 15.310 8.028 ( 0.000 3.509 -6.601) 7.476 8.365 ( -0.000 -2.334 1.935) 3.032 8.568 ( 0.000 2.380 -2.221) 3.255 8.664 ( -0.000 -0.181 -4.656) 4.660 8.976 ( 0.000 9.593 1.490) 9.708 9.171 ( 0.000 9.100 0.715) 9.128 9.452 ( -0.000 -8.730 2.051) 8.968 9.642 ( -0.000 -11.491 -0.436) 11.499 9.883 ( 0.000 2.628 1.745) 3.154 10.015 ( 0.000 5.684 5.110) 7.644 10.349 ( 0.000 5.966 -2.561) 6.492 10.668 ( -0.000 -1.197 41.206) 41.223 11.397 ( -0.000 -3.319 26.522) 26.728 11.480 ( -0.000 -0.691 -37.366) 37.372 12.234 ( 0.000 5.019 -25.564) 26.052 14.519 ( -0.000 -10.024 21.018) 23.286 15.028 ( 0.000 1.996 -10.646) 10.831 15.125 ( -0.000 -0.751 2.947) 3.042 15.545 ( -0.000 -0.009 -5.105) 5.105 15.669 ( 0.000 3.671 -8.418) 9.183 17.178 ( -0.000 -0.011 0.640) 0.640 18.182 ( -0.000 -1.576 3.633) 3.960 18.895 ( -0.000 -3.207 2.560) 4.103======================= Grid point 478 (155/155) =======================q-point: ( 0.50 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.139 ( 0.000 0.000 -0.206) 0.206 2.334 ( -0.000 -0.000 12.093) 12.093 2.629 ( 0.000 0.000 -10.776) 10.776 2.704 ( 0.000 0.000 7.077) 7.077 3.095 ( 0.000 0.000 7.778) 7.778 3.101 ( -0.000 -0.000 3.053) 3.053 3.275 ( 0.000 0.000 -9.288) 9.288 3.376 ( 0.000 0.000 -4.551) 4.551 4.092 ( 0.000 0.000 8.889) 8.889 4.447 ( 0.000 0.000 1.642) 1.642 4.636 ( 0.000 0.000 -1.546) 1.546 4.722 ( 0.000 0.000 11.045) 11.045 4.961 ( 0.000 0.000 14.506) 14.506 5.299 ( -0.000 -0.000 -11.048) 11.048 5.427 ( 0.000 0.000 -3.756) 3.756 5.434 ( 0.000 0.000 -0.790) 0.790 5.507 ( 0.000 0.000 -2.200) 2.200 6.859 ( 0.000 0.000 1.942) 1.942 7.035 ( 0.000 0.000 -2.404) 2.404 8.060 ( -0.000 -0.000 -7.089) 7.089 8.343 ( 0.000 0.000 1.553) 1.553 8.583 ( 0.000 0.000 -2.749) 2.749 8.663 ( 0.000 0.000 -3.760) 3.760 9.080 ( 0.000 0.000 2.309) 2.309 9.295 ( -0.000 -0.000 2.763) 2.763 9.329 ( 0.000 0.000 1.378) 1.378 9.529 ( 0.000 0.000 -1.778) 1.778 9.901 ( 0.000 0.000 1.458) 1.458 10.063 ( 0.000 0.000 5.797) 5.797 10.401 ( 0.000 0.000 -3.578) 3.578 10.656 ( 0.000 0.000 42.051) 42.051 11.367 ( 0.000 0.000 25.085) 25.085 11.474 ( 0.000 0.000 -37.613) 37.613 12.278 ( 0.000 0.000 -24.638) 24.638 14.428 ( 0.000 0.000 19.203) 19.203 15.049 ( 0.000 0.000 -14.025) 14.025 15.118 ( -0.000 -0.000 7.900) 7.900 15.545 ( 0.000 0.000 -5.112) 5.112 15.701 ( 0.000 0.000 -7.932) 7.932 17.178 ( 0.000 0.000 0.640) 0.640 18.169 ( 0.000 0.000 4.165) 4.165 18.869 ( 0.000 0.000 2.332) 2.332=================== 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 3/37800 10.0 3547.466 5882.171 2789.294 0.000 0.000 0.000 3/37800 20.0 607.624 584.085 539.671 0.000 0.000 0.000 3/37800 30.0 217.446 165.044 205.721 0.000 0.000 0.000 3/37800 40.0 113.964 79.496 110.318 0.000 0.000 0.000 3/37800 50.0 72.013 48.354 70.372 0.000 0.000 0.000 3/37800 60.0 50.726 33.450 49.796 0.000 0.000 0.000 3/37800 70.0 38.343 25.085 37.734 0.000 0.000 0.000 3/37800 80.0 30.469 19.875 30.031 0.000 0.000 0.000 3/37800 90.0 25.136 16.380 24.800 0.000 0.000 0.000 3/37800 100.0 21.346 13.902 21.076 0.000 0.000 0.000 3/37800 110.0 18.545 12.067 18.320 0.000 0.000 0.000 3/37800 120.0 16.405 10.659 16.215 0.000 0.000 0.000 3/37800 130.0 14.726 9.549 14.560 0.000 0.000 0.000 3/37800 140.0 13.375 8.651 13.230 0.000 0.000 0.000 3/37800 150.0 12.266 7.912 12.137 0.000 0.000 0.000 3/37800 160.0 11.339 7.293 11.224 0.000 0.000 0.000 3/37800 170.0 10.553 6.766 10.448 0.000 0.000 0.000 3/37800 180.0 9.876 6.313 9.782 0.000 0.000 0.000 3/37800 190.0 9.288 5.919 9.201 0.000 0.000 0.000 3/37800 200.0 8.771 5.573 8.691 0.000 0.000 0.000 3/37800 210.0 8.312 5.267 8.238 0.000 0.000 0.000 3/37800 220.0 7.903 4.994 7.834 0.000 0.000 0.000 3/37800 230.0 7.534 4.749 7.470 0.000 0.000 0.000 3/37800 240.0 7.200 4.528 7.140 0.000 0.000 0.000 3/37800 250.0 6.896 4.327 6.840 0.000 0.000 0.000 3/37800 260.0 6.618 4.144 6.565 0.000 0.000 0.000 3/37800 270.0 6.363 3.976 6.313 0.000 0.000 0.000 3/37800 280.0 6.127 3.822 6.080 0.000 0.000 0.000 3/37800 290.0 5.909 3.679 5.864 0.000 0.000 0.000 3/37800 300.0 5.707 3.547 5.664 0.000 0.000 0.000 3/37800 310.0 5.518 3.425 5.477 0.000 0.000 0.000 3/37800 320.0 5.342 3.311 5.303 0.000 0.000 0.000 3/37800 330.0 5.177 3.204 5.140 0.000 0.000 0.000 3/37800 340.0 5.023 3.105 4.986 0.000 0.000 0.000 3/37800 350.0 4.877 3.011 4.842 0.000 0.000 0.000 3/37800 360.0 4.740 2.923 4.706 0.000 0.000 0.000 3/37800 370.0 4.610 2.841 4.578 0.000 0.000 0.000 3/37800 380.0 4.488 2.763 4.457 0.000 0.000 0.000 3/37800 390.0 4.372 2.689 4.342 0.000 0.000 0.000 3/37800 400.0 4.262 2.619 4.233 0.000 0.000 0.000 3/37800 410.0 4.157 2.552 4.129 0.000 0.000 0.000 3/37800 420.0 4.058 2.489 4.030 0.000 0.000 0.000 3/37800 430.0 3.963 2.430 3.936 0.000 0.000 0.000 3/37800 440.0 3.873 2.373 3.847 0.000 0.000 0.000 3/37800 450.0 3.786 2.318 3.761 0.000 0.000 0.000 3/37800 460.0 3.704 2.266 3.679 0.000 0.000 0.000 3/37800 470.0 3.625 2.217 3.601 0.000 0.000 0.000 3/37800 480.0 3.549 2.169 3.526 0.000 0.000 0.000 3/37800 490.0 3.476 2.124 3.454 0.000 0.000 0.000 3/37800 500.0 3.407 2.080 3.385 0.000 0.000 0.000 3/37800 510.0 3.340 2.039 3.318 0.000 0.000 0.000 3/37800 520.0 3.276 1.999 3.255 0.000 0.000 0.000 3/37800 530.0 3.214 1.960 3.193 0.000 0.000 0.000 3/37800 540.0 3.154 1.923 3.134 0.000 0.000 0.000 3/37800 550.0 3.097 1.887 3.077 0.000 0.000 0.000 3/37800 560.0 3.042 1.853 3.022 0.000 0.000 0.000 3/37800 570.0 2.988 1.820 2.969 0.000 0.000 0.000 3/37800 580.0 2.937 1.788 2.918 0.000 0.000 0.000 3/37800 590.0 2.887 1.757 2.869 0.000 0.000 0.000 3/37800 600.0 2.839 1.727 2.821 0.000 0.000 0.000 3/37800 610.0 2.793 1.699 2.775 0.000 0.000 0.000 3/37800 620.0 2.748 1.671 2.730 0.000 0.000 0.000 3/37800 630.0 2.704 1.644 2.687 0.000 0.000 0.000 3/37800 640.0 2.662 1.618 2.645 0.000 0.000 0.000 3/37800 650.0 2.621 1.593 2.605 0.000 0.000 0.000 3/37800 660.0 2.581 1.568 2.565 0.000 0.000 0.000 3/37800 670.0 2.543 1.545 2.527 0.000 0.000 0.000 3/37800 680.0 2.505 1.522 2.490 0.000 0.000 0.000 3/37800 690.0 2.469 1.499 2.454 0.000 0.000 0.000 3/37800 700.0 2.434 1.478 2.419 0.000 0.000 0.000 3/37800 710.0 2.400 1.457 2.385 0.000 0.000 0.000 3/37800 720.0 2.366 1.436 2.352 0.000 0.000 0.000 3/37800 730.0 2.334 1.416 2.320 0.000 0.000 0.000 3/37800 740.0 2.303 1.397 2.288 0.000 0.000 0.000 3/37800 750.0 2.272 1.378 2.258 0.000 0.000 0.000 3/37800 760.0 2.242 1.360 2.228 0.000 0.000 0.000 3/37800 770.0 2.213 1.342 2.199 0.000 0.000 0.000 3/37800 780.0 2.185 1.325 2.171 0.000 0.000 0.000 3/37800 790.0 2.157 1.308 2.144 0.000 0.000 0.000 3/37800 800.0 2.130 1.291 2.117 0.000 0.000 0.000 3/37800 810.0 2.104 1.275 2.091 0.000 0.000 0.000 3/37800 820.0 2.078 1.259 2.066 0.000 0.000 0.000 3/37800 830.0 2.053 1.244 2.041 0.000 0.000 0.000 3/37800 840.0 2.029 1.229 2.017 0.000 0.000 0.000 3/37800 850.0 2.005 1.215 1.993 0.000 0.000 0.000 3/37800 860.0 1.982 1.200 1.970 0.000 0.000 0.000 3/37800 870.0 1.959 1.187 1.947 0.000 0.000 0.000 3/37800 880.0 1.937 1.173 1.925 0.000 0.000 0.000 3/37800 890.0 1.915 1.160 1.904 0.000 0.000 0.000 3/37800 900.0 1.894 1.147 1.882 0.000 0.000 0.000 3/37800 910.0 1.873 1.134 1.862 0.000 0.000 0.000 3/37800 920.0 1.853 1.122 1.842 0.000 0.000 0.000 3/37800 930.0 1.833 1.110 1.822 0.000 0.000 0.000 3/37800 940.0 1.813 1.098 1.802 0.000 0.000 0.000 3/37800 950.0 1.794 1.086 1.784 0.000 0.000 0.000 3/37800 960.0 1.776 1.075 1.765 0.000 0.000 0.000 3/37800 970.0 1.757 1.064 1.747 0.000 0.000 0.000 3/37800 980.0 1.739 1.053 1.729 0.000 0.000 0.000 3/37800 990.0 1.722 1.042 1.712 0.000 0.000 0.000 3/37800 1000.0 1.705 1.032 1.695 0.000 0.000 0.000 3/37800Thermal conductivity related properties were written into "kappa-m10109.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 16:10:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|