# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/1b037a5a-37ba-47c7-9aff-15d03dbe1da6/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 YBi2BrO4 / P4/mmm (123) / materials id 553243](https://mdr.nims.go.jp/datasets/d0245b18-adc7-4866-8e76-a2533fcd3664) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 10:53:49]-------------------------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: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P4/mmm (123)Number of symmetry operations in supercell: 288------------------------------ primitive cell ------------------------------Lattice vectors: a 3.865613030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.865613030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.086012050000001Atomic positions (fractional): *1 O 0.00000000000000 0.50000000000000 0.15012079352484 15.999 2 O 0.50000000000000 0.00000000000000 0.84987920647516 15.999 3 O 0.00000000000000 0.50000000000000 0.84987920647516 15.999 4 O 0.50000000000000 0.00000000000000 0.15012079352484 15.999 *5 Bi 0.50000000000000 0.50000000000000 0.27338544618735 208.980 6 Bi 0.50000000000000 0.50000000000000 0.72661455381265 208.980 *7 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 *8 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.865613030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.865613030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.086012050000001Atomic positions (fractional): *1 O 0.00000000000000 0.50000000000000 0.15012079352484 15.999 > 1 2 O 0.50000000000000 0.00000000000000 0.84987920647516 15.999 > 2 3 O 0.00000000000000 0.50000000000000 0.84987920647516 15.999 > 3 4 O 0.50000000000000 0.00000000000000 0.15012079352484 15.999 > 4 *5 Bi 0.50000000000000 0.50000000000000 0.27338544618735 208.980 > 5 6 Bi 0.50000000000000 0.50000000000000 0.72661455381265 208.980 > 6 *7 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 7 *8 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 8-------------------------------- super cell --------------------------------Lattice vectors: a 11.596839090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.596839090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.172024100000002Atomic positions (fractional): *1 O 0.00000000000000 0.16666666666667 0.07506039676242 15.999 > 1 2 O 0.33333333333333 0.16666666666667 0.07506039676242 15.999 > 1 3 O 0.66666666666667 0.16666666666667 0.07506039676242 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.07506039676242 15.999 > 1 5 O 0.33333333333333 0.50000000000000 0.07506039676242 15.999 > 1 6 O 0.66666666666667 0.50000000000000 0.07506039676242 15.999 > 1 7 O 0.00000000000000 0.83333333333333 0.07506039676242 15.999 > 1 8 O 0.33333333333333 0.83333333333333 0.07506039676242 15.999 > 1 9 O 0.66666666666667 0.83333333333333 0.07506039676242 15.999 > 1 10 O 0.00000000000000 0.16666666666667 0.57506039676242 15.999 > 1 11 O 0.33333333333333 0.16666666666667 0.57506039676242 15.999 > 1 12 O 0.66666666666667 0.16666666666667 0.57506039676242 15.999 > 1 13 O 0.00000000000000 0.50000000000000 0.57506039676242 15.999 > 1 14 O 0.33333333333333 0.50000000000000 0.57506039676242 15.999 > 1 15 O 0.66666666666667 0.50000000000000 0.57506039676242 15.999 > 1 16 O 0.00000000000000 0.83333333333333 0.57506039676242 15.999 > 1 17 O 0.33333333333333 0.83333333333333 0.57506039676242 15.999 > 1 18 O 0.66666666666667 0.83333333333333 0.57506039676242 15.999 > 1 19 O 0.16666666666667 0.00000000000000 0.42493960323758 15.999 > 2 20 O 0.50000000000000 0.00000000000000 0.42493960323758 15.999 > 2 21 O 0.83333333333333 0.00000000000000 0.42493960323758 15.999 > 2 22 O 0.16666666666667 0.33333333333333 0.42493960323758 15.999 > 2 23 O 0.50000000000000 0.33333333333333 0.42493960323758 15.999 > 2 24 O 0.83333333333333 0.33333333333333 0.42493960323758 15.999 > 2 25 O 0.16666666666667 0.66666666666667 0.42493960323758 15.999 > 2 26 O 0.50000000000000 0.66666666666667 0.42493960323758 15.999 > 2 27 O 0.83333333333333 0.66666666666667 0.42493960323758 15.999 > 2 28 O 0.16666666666667 0.00000000000000 0.92493960323758 15.999 > 2 29 O 0.50000000000000 0.00000000000000 0.92493960323758 15.999 > 2 30 O 0.83333333333333 0.00000000000000 0.92493960323758 15.999 > 2 31 O 0.16666666666667 0.33333333333333 0.92493960323758 15.999 > 2 32 O 0.50000000000000 0.33333333333333 0.92493960323758 15.999 > 2 33 O 0.83333333333333 0.33333333333333 0.92493960323758 15.999 > 2 34 O 0.16666666666667 0.66666666666667 0.92493960323758 15.999 > 2 35 O 0.50000000000000 0.66666666666667 0.92493960323758 15.999 > 2 36 O 0.83333333333333 0.66666666666667 0.92493960323758 15.999 > 2 37 O 0.00000000000000 0.16666666666667 0.42493960323758 15.999 > 3 38 O 0.33333333333333 0.16666666666667 0.42493960323758 15.999 > 3 39 O 0.66666666666667 0.16666666666667 0.42493960323758 15.999 > 3 40 O 0.00000000000000 0.50000000000000 0.42493960323758 15.999 > 3 41 O 0.33333333333333 0.50000000000000 0.42493960323758 15.999 > 3 42 O 0.66666666666667 0.50000000000000 0.42493960323758 15.999 > 3 43 O 0.00000000000000 0.83333333333333 0.42493960323758 15.999 > 3 44 O 0.33333333333333 0.83333333333333 0.42493960323758 15.999 > 3 45 O 0.66666666666667 0.83333333333333 0.42493960323758 15.999 > 3 46 O 0.00000000000000 0.16666666666667 0.92493960323758 15.999 > 3 47 O 0.33333333333333 0.16666666666667 0.92493960323758 15.999 > 3 48 O 0.66666666666667 0.16666666666667 0.92493960323758 15.999 > 3 49 O 0.00000000000000 0.50000000000000 0.92493960323758 15.999 > 3 50 O 0.33333333333333 0.50000000000000 0.92493960323758 15.999 > 3 51 O 0.66666666666667 0.50000000000000 0.92493960323758 15.999 > 3 52 O 0.00000000000000 0.83333333333333 0.92493960323758 15.999 > 3 53 O 0.33333333333333 0.83333333333333 0.92493960323758 15.999 > 3 54 O 0.66666666666667 0.83333333333333 0.92493960323758 15.999 > 3 55 O 0.16666666666667 0.00000000000000 0.07506039676242 15.999 > 4 56 O 0.50000000000000 0.00000000000000 0.07506039676242 15.999 > 4 57 O 0.83333333333333 0.00000000000000 0.07506039676242 15.999 > 4 58 O 0.16666666666667 0.33333333333333 0.07506039676242 15.999 > 4 59 O 0.50000000000000 0.33333333333333 0.07506039676242 15.999 > 4 60 O 0.83333333333333 0.33333333333333 0.07506039676242 15.999 > 4 61 O 0.16666666666667 0.66666666666667 0.07506039676242 15.999 > 4 62 O 0.50000000000000 0.66666666666667 0.07506039676242 15.999 > 4 63 O 0.83333333333333 0.66666666666667 0.07506039676242 15.999 > 4 64 O 0.16666666666667 0.00000000000000 0.57506039676242 15.999 > 4 65 O 0.50000000000000 0.00000000000000 0.57506039676242 15.999 > 4 66 O 0.83333333333333 0.00000000000000 0.57506039676242 15.999 > 4 67 O 0.16666666666667 0.33333333333333 0.57506039676242 15.999 > 4 68 O 0.50000000000000 0.33333333333333 0.57506039676242 15.999 > 4 69 O 0.83333333333333 0.33333333333333 0.57506039676242 15.999 > 4 70 O 0.16666666666667 0.66666666666667 0.57506039676242 15.999 > 4 71 O 0.50000000000000 0.66666666666667 0.57506039676242 15.999 > 4 72 O 0.83333333333333 0.66666666666667 0.57506039676242 15.999 > 4 *73 Bi 0.16666666666667 0.16666666666667 0.13669272309367 208.980 > 5 74 Bi 0.50000000000000 0.16666666666667 0.13669272309367 208.980 > 5 75 Bi 0.83333333333333 0.16666666666667 0.13669272309367 208.980 > 5 76 Bi 0.16666666666667 0.50000000000000 0.13669272309367 208.980 > 5 77 Bi 0.50000000000000 0.50000000000000 0.13669272309367 208.980 > 5 78 Bi 0.83333333333333 0.50000000000000 0.13669272309367 208.980 > 5 79 Bi 0.16666666666667 0.83333333333333 0.13669272309367 208.980 > 5 80 Bi 0.50000000000000 0.83333333333333 0.13669272309367 208.980 > 5 81 Bi 0.83333333333333 0.83333333333333 0.13669272309367 208.980 > 5 82 Bi 0.16666666666667 0.16666666666667 0.63669272309367 208.980 > 5 83 Bi 0.50000000000000 0.16666666666667 0.63669272309367 208.980 > 5 84 Bi 0.83333333333333 0.16666666666667 0.63669272309367 208.980 > 5 85 Bi 0.16666666666667 0.50000000000000 0.63669272309367 208.980 > 5 86 Bi 0.50000000000000 0.50000000000000 0.63669272309367 208.980 > 5 87 Bi 0.83333333333333 0.50000000000000 0.63669272309367 208.980 > 5 88 Bi 0.16666666666667 0.83333333333333 0.63669272309367 208.980 > 5 89 Bi 0.50000000000000 0.83333333333333 0.63669272309367 208.980 > 5 90 Bi 0.83333333333333 0.83333333333333 0.63669272309367 208.980 > 5 91 Bi 0.16666666666667 0.16666666666667 0.36330727690633 208.980 > 6 92 Bi 0.50000000000000 0.16666666666667 0.36330727690633 208.980 > 6 93 Bi 0.83333333333333 0.16666666666667 0.36330727690633 208.980 > 6 94 Bi 0.16666666666667 0.50000000000000 0.36330727690633 208.980 > 6 95 Bi 0.50000000000000 0.50000000000000 0.36330727690633 208.980 > 6 96 Bi 0.83333333333333 0.50000000000000 0.36330727690633 208.980 > 6 97 Bi 0.16666666666667 0.83333333333333 0.36330727690633 208.980 > 6 98 Bi 0.50000000000000 0.83333333333333 0.36330727690633 208.980 > 6 99 Bi 0.83333333333333 0.83333333333333 0.36330727690633 208.980 > 6 100 Bi 0.16666666666667 0.16666666666667 0.86330727690633 208.980 > 6 101 Bi 0.50000000000000 0.16666666666667 0.86330727690633 208.980 > 6 102 Bi 0.83333333333333 0.16666666666667 0.86330727690633 208.980 > 6 103 Bi 0.16666666666667 0.50000000000000 0.86330727690633 208.980 > 6 104 Bi 0.50000000000000 0.50000000000000 0.86330727690633 208.980 > 6 105 Bi 0.83333333333333 0.50000000000000 0.86330727690633 208.980 > 6 106 Bi 0.16666666666667 0.83333333333333 0.86330727690633 208.980 > 6 107 Bi 0.50000000000000 0.83333333333333 0.86330727690633 208.980 > 6 108 Bi 0.83333333333333 0.83333333333333 0.86330727690633 208.980 > 6 *109 Br 0.00000000000000 0.00000000000000 0.25000000000000 79.904 > 7 110 Br 0.33333333333333 0.00000000000000 0.25000000000000 79.904 > 7 111 Br 0.66666666666667 0.00000000000000 0.25000000000000 79.904 > 7 112 Br 0.00000000000000 0.33333333333333 0.25000000000000 79.904 > 7 113 Br 0.33333333333333 0.33333333333333 0.25000000000000 79.904 > 7 114 Br 0.66666666666667 0.33333333333333 0.25000000000000 79.904 > 7 115 Br 0.00000000000000 0.66666666666667 0.25000000000000 79.904 > 7 116 Br 0.33333333333333 0.66666666666667 0.25000000000000 79.904 > 7 117 Br 0.66666666666667 0.66666666666667 0.25000000000000 79.904 > 7 118 Br 0.00000000000000 0.00000000000000 0.75000000000000 79.904 > 7 119 Br 0.33333333333333 0.00000000000000 0.75000000000000 79.904 > 7 120 Br 0.66666666666667 0.00000000000000 0.75000000000000 79.904 > 7 121 Br 0.00000000000000 0.33333333333333 0.75000000000000 79.904 > 7 122 Br 0.33333333333333 0.33333333333333 0.75000000000000 79.904 > 7 123 Br 0.66666666666667 0.33333333333333 0.75000000000000 79.904 > 7 124 Br 0.00000000000000 0.66666666666667 0.75000000000000 79.904 > 7 125 Br 0.33333333333333 0.66666666666667 0.75000000000000 79.904 > 7 126 Br 0.66666666666667 0.66666666666667 0.75000000000000 79.904 > 7 *127 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 8 128 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 8 129 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 8 130 Y 0.00000000000000 0.33333333333333 0.00000000000000 88.906 > 8 131 Y 0.33333333333333 0.33333333333333 0.00000000000000 88.906 > 8 132 Y 0.66666666666667 0.33333333333333 0.00000000000000 88.906 > 8 133 Y 0.00000000000000 0.66666666666667 0.00000000000000 88.906 > 8 134 Y 0.33333333333333 0.66666666666667 0.00000000000000 88.906 > 8 135 Y 0.66666666666667 0.66666666666667 0.00000000000000 88.906 > 8 136 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 8 137 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 8 138 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 8 139 Y 0.00000000000000 0.33333333333333 0.50000000000000 88.906 > 8 140 Y 0.33333333333333 0.33333333333333 0.50000000000000 88.906 > 8 141 Y 0.66666666666667 0.33333333333333 0.50000000000000 88.906 > 8 142 Y 0.00000000000000 0.66666666666667 0.50000000000000 88.906 > 8 143 Y 0.33333333333333 0.66666666666667 0.50000000000000 88.906 > 8 144 Y 0.66666666666667 0.66666666666667 0.50000000000000 88.906 > 8----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.5281673 0.0000000 0.0000000 0.0000000 6.5281673 0.0000000 0.0000000 0.0000000 5.6790146-------------------------- Born effective charges -------------------------- 1 O -3.8646848 0.0000000 0.0000000 0.0000000 -2.1347741 0.0000000 0.0000000 0.0000000 -2.2615914 2 O -2.1347741 0.0000000 0.0000000 0.0000000 -3.8646848 0.0000000 0.0000000 0.0000000 -2.2615914 3 O -3.8646848 0.0000000 0.0000000 0.0000000 -2.1347741 0.0000000 0.0000000 0.0000000 -2.2615914 4 O -2.1347741 0.0000000 0.0000000 0.0000000 -3.8646848 0.0000000 0.0000000 0.0000000 -2.2615914 5 Bi 5.1547798 0.0000000 0.0000000 0.0000000 5.1547798 0.0000000 0.0000000 0.0000000 2.7063524 6 Bi 5.1547798 0.0000000 0.0000000 0.0000000 5.1547798 0.0000000 0.0000000 0.0000000 2.7063524 7 Br -1.9886652 0.0000000 0.0000000 0.0000000 -1.9886652 0.0000000 0.0000000 0.0000000 -1.7836245 8 Y 3.6780233 0.0000000 0.0000000 0.0000000 3.6780233 0.0000000 0.0000000 0.0000000 5.4172853----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 432/432Permutation basis: 5784/5784Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 428Number of blocks in projector: 428Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 8--- Eigsh_solver_block: 1 / 8 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 2 / 8 ---Block_size: 124Use standard eigh solver.--- Eigsh_solver_block: 3 / 8 ---Block_size: 99Use standard eigh solver.--- Eigsh_solver_block: 4 / 8 ---Block_size: 37Use standard eigh solver.--- Eigsh_solver_block: 5 / 8 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 6 / 8 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 7 / 8 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 8 / 8 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (428, 419), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (37, 37), data: True|-- (99, 95), data: True|-- (124, 124), data: True|-- (164, 159), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.008Solver_block: 80 / 80 - Time: 0.385Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.396--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432Permutation basis: 5784/5784Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 428Number of blocks in projector: 428Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 8--- Eigsh_solver_block: 1 / 8 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 2 / 8 ---Block_size: 124Use standard eigh solver.--- Eigsh_solver_block: 3 / 8 ---Block_size: 99Use standard eigh solver.--- Eigsh_solver_block: 4 / 8 ---Block_size: 37Use standard eigh solver.--- Eigsh_solver_block: 5 / 8 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 6 / 8 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 7 / 8 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 8 / 8 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (428, 419), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (37, 37), data: True|-- (99, 95), data: True|-- (124, 124), data: True|-- (164, 159), 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 10:53:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 10:53:55]-------------------------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): [3 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P4/mmm (123)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.865613030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.865613030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.086012050000001Atomic positions (fractional): 1 O 0.00000000000000 0.50000000000000 0.15012079352484 15.999 2 O 0.50000000000000 0.00000000000000 0.84987920647516 15.999 3 O 0.00000000000000 0.50000000000000 0.84987920647516 15.999 4 O 0.50000000000000 0.00000000000000 0.15012079352484 15.999 5 Bi 0.50000000000000 0.50000000000000 0.27338544618735 208.980 6 Bi 0.50000000000000 0.50000000000000 0.72661455381265 208.980 7 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 8 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906-------------------------------- supercell ---------------------------------Lattice vectors: a 11.596839090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.596839090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.172024100000002Atomic positions (fractional): 1 O 0.00000000000000 0.16666666666667 0.07506039676242 15.999 > 1 2 O 0.33333333333333 0.16666666666667 0.07506039676242 15.999 > 1 3 O 0.66666666666667 0.16666666666667 0.07506039676242 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.07506039676242 15.999 > 1 5 O 0.33333333333333 0.50000000000000 0.07506039676242 15.999 > 1 6 O 0.66666666666667 0.50000000000000 0.07506039676242 15.999 > 1 7 O 0.00000000000000 0.83333333333333 0.07506039676242 15.999 > 1 8 O 0.33333333333333 0.83333333333333 0.07506039676242 15.999 > 1 9 O 0.66666666666667 0.83333333333333 0.07506039676242 15.999 > 1 10 O 0.00000000000000 0.16666666666667 0.57506039676242 15.999 > 1 11 O 0.33333333333333 0.16666666666667 0.57506039676242 15.999 > 1 12 O 0.66666666666667 0.16666666666667 0.57506039676242 15.999 > 1 13 O 0.00000000000000 0.50000000000000 0.57506039676242 15.999 > 1 14 O 0.33333333333333 0.50000000000000 0.57506039676242 15.999 > 1 15 O 0.66666666666667 0.50000000000000 0.57506039676242 15.999 > 1 16 O 0.00000000000000 0.83333333333333 0.57506039676242 15.999 > 1 17 O 0.33333333333333 0.83333333333333 0.57506039676242 15.999 > 1 18 O 0.66666666666667 0.83333333333333 0.57506039676242 15.999 > 1 19 O 0.16666666666667 0.00000000000000 0.42493960323758 15.999 > 19 20 O 0.50000000000000 0.00000000000000 0.42493960323758 15.999 > 19 21 O 0.83333333333333 0.00000000000000 0.42493960323758 15.999 > 19 22 O 0.16666666666667 0.33333333333333 0.42493960323758 15.999 > 19 23 O 0.50000000000000 0.33333333333333 0.42493960323758 15.999 > 19 24 O 0.83333333333333 0.33333333333333 0.42493960323758 15.999 > 19 25 O 0.16666666666667 0.66666666666667 0.42493960323758 15.999 > 19 26 O 0.50000000000000 0.66666666666667 0.42493960323758 15.999 > 19 27 O 0.83333333333333 0.66666666666667 0.42493960323758 15.999 > 19 28 O 0.16666666666667 0.00000000000000 0.92493960323758 15.999 > 19 29 O 0.50000000000000 0.00000000000000 0.92493960323758 15.999 > 19 30 O 0.83333333333333 0.00000000000000 0.92493960323758 15.999 > 19 31 O 0.16666666666667 0.33333333333333 0.92493960323758 15.999 > 19 32 O 0.50000000000000 0.33333333333333 0.92493960323758 15.999 > 19 33 O 0.83333333333333 0.33333333333333 0.92493960323758 15.999 > 19 34 O 0.16666666666667 0.66666666666667 0.92493960323758 15.999 > 19 35 O 0.50000000000000 0.66666666666667 0.92493960323758 15.999 > 19 36 O 0.83333333333333 0.66666666666667 0.92493960323758 15.999 > 19 37 O 0.00000000000000 0.16666666666667 0.42493960323758 15.999 > 37 38 O 0.33333333333333 0.16666666666667 0.42493960323758 15.999 > 37 39 O 0.66666666666667 0.16666666666667 0.42493960323758 15.999 > 37 40 O 0.00000000000000 0.50000000000000 0.42493960323758 15.999 > 37 41 O 0.33333333333333 0.50000000000000 0.42493960323758 15.999 > 37 42 O 0.66666666666667 0.50000000000000 0.42493960323758 15.999 > 37 43 O 0.00000000000000 0.83333333333333 0.42493960323758 15.999 > 37 44 O 0.33333333333333 0.83333333333333 0.42493960323758 15.999 > 37 45 O 0.66666666666667 0.83333333333333 0.42493960323758 15.999 > 37 46 O 0.00000000000000 0.16666666666667 0.92493960323758 15.999 > 37 47 O 0.33333333333333 0.16666666666667 0.92493960323758 15.999 > 37 48 O 0.66666666666667 0.16666666666667 0.92493960323758 15.999 > 37 49 O 0.00000000000000 0.50000000000000 0.92493960323758 15.999 > 37 50 O 0.33333333333333 0.50000000000000 0.92493960323758 15.999 > 37 51 O 0.66666666666667 0.50000000000000 0.92493960323758 15.999 > 37 52 O 0.00000000000000 0.83333333333333 0.92493960323758 15.999 > 37 53 O 0.33333333333333 0.83333333333333 0.92493960323758 15.999 > 37 54 O 0.66666666666667 0.83333333333333 0.92493960323758 15.999 > 37 55 O 0.16666666666667 0.00000000000000 0.07506039676242 15.999 > 55 56 O 0.50000000000000 0.00000000000000 0.07506039676242 15.999 > 55 57 O 0.83333333333333 0.00000000000000 0.07506039676242 15.999 > 55 58 O 0.16666666666667 0.33333333333333 0.07506039676242 15.999 > 55 59 O 0.50000000000000 0.33333333333333 0.07506039676242 15.999 > 55 60 O 0.83333333333333 0.33333333333333 0.07506039676242 15.999 > 55 61 O 0.16666666666667 0.66666666666667 0.07506039676242 15.999 > 55 62 O 0.50000000000000 0.66666666666667 0.07506039676242 15.999 > 55 63 O 0.83333333333333 0.66666666666667 0.07506039676242 15.999 > 55 64 O 0.16666666666667 0.00000000000000 0.57506039676242 15.999 > 55 65 O 0.50000000000000 0.00000000000000 0.57506039676242 15.999 > 55 66 O 0.83333333333333 0.00000000000000 0.57506039676242 15.999 > 55 67 O 0.16666666666667 0.33333333333333 0.57506039676242 15.999 > 55 68 O 0.50000000000000 0.33333333333333 0.57506039676242 15.999 > 55 69 O 0.83333333333333 0.33333333333333 0.57506039676242 15.999 > 55 70 O 0.16666666666667 0.66666666666667 0.57506039676242 15.999 > 55 71 O 0.50000000000000 0.66666666666667 0.57506039676242 15.999 > 55 72 O 0.83333333333333 0.66666666666667 0.57506039676242 15.999 > 55 73 Bi 0.16666666666667 0.16666666666667 0.13669272309367 208.980 > 73 74 Bi 0.50000000000000 0.16666666666667 0.13669272309367 208.980 > 73 75 Bi 0.83333333333333 0.16666666666667 0.13669272309367 208.980 > 73 76 Bi 0.16666666666667 0.50000000000000 0.13669272309367 208.980 > 73 77 Bi 0.50000000000000 0.50000000000000 0.13669272309367 208.980 > 73 78 Bi 0.83333333333333 0.50000000000000 0.13669272309367 208.980 > 73 79 Bi 0.16666666666667 0.83333333333333 0.13669272309367 208.980 > 73 80 Bi 0.50000000000000 0.83333333333333 0.13669272309367 208.980 > 73 81 Bi 0.83333333333333 0.83333333333333 0.13669272309367 208.980 > 73 82 Bi 0.16666666666667 0.16666666666667 0.63669272309367 208.980 > 73 83 Bi 0.50000000000000 0.16666666666667 0.63669272309367 208.980 > 73 84 Bi 0.83333333333333 0.16666666666667 0.63669272309367 208.980 > 73 85 Bi 0.16666666666667 0.50000000000000 0.63669272309367 208.980 > 73 86 Bi 0.50000000000000 0.50000000000000 0.63669272309367 208.980 > 73 87 Bi 0.83333333333333 0.50000000000000 0.63669272309367 208.980 > 73 88 Bi 0.16666666666667 0.83333333333333 0.63669272309367 208.980 > 73 89 Bi 0.50000000000000 0.83333333333333 0.63669272309367 208.980 > 73 90 Bi 0.83333333333333 0.83333333333333 0.63669272309367 208.980 > 73 91 Bi 0.16666666666667 0.16666666666667 0.36330727690633 208.980 > 91 92 Bi 0.50000000000000 0.16666666666667 0.36330727690633 208.980 > 91 93 Bi 0.83333333333333 0.16666666666667 0.36330727690633 208.980 > 91 94 Bi 0.16666666666667 0.50000000000000 0.36330727690633 208.980 > 91 95 Bi 0.50000000000000 0.50000000000000 0.36330727690633 208.980 > 91 96 Bi 0.83333333333333 0.50000000000000 0.36330727690633 208.980 > 91 97 Bi 0.16666666666667 0.83333333333333 0.36330727690633 208.980 > 91 98 Bi 0.50000000000000 0.83333333333333 0.36330727690633 208.980 > 91 99 Bi 0.83333333333333 0.83333333333333 0.36330727690633 208.980 > 91 100 Bi 0.16666666666667 0.16666666666667 0.86330727690633 208.980 > 91 101 Bi 0.50000000000000 0.16666666666667 0.86330727690633 208.980 > 91 102 Bi 0.83333333333333 0.16666666666667 0.86330727690633 208.980 > 91 103 Bi 0.16666666666667 0.50000000000000 0.86330727690633 208.980 > 91 104 Bi 0.50000000000000 0.50000000000000 0.86330727690633 208.980 > 91 105 Bi 0.83333333333333 0.50000000000000 0.86330727690633 208.980 > 91 106 Bi 0.16666666666667 0.83333333333333 0.86330727690633 208.980 > 91 107 Bi 0.50000000000000 0.83333333333333 0.86330727690633 208.980 > 91 108 Bi 0.83333333333333 0.83333333333333 0.86330727690633 208.980 > 91 109 Br 0.00000000000000 0.00000000000000 0.25000000000000 79.904 > 109 110 Br 0.33333333333333 0.00000000000000 0.25000000000000 79.904 > 109 111 Br 0.66666666666667 0.00000000000000 0.25000000000000 79.904 > 109 112 Br 0.00000000000000 0.33333333333333 0.25000000000000 79.904 > 109 113 Br 0.33333333333333 0.33333333333333 0.25000000000000 79.904 > 109 114 Br 0.66666666666667 0.33333333333333 0.25000000000000 79.904 > 109 115 Br 0.00000000000000 0.66666666666667 0.25000000000000 79.904 > 109 116 Br 0.33333333333333 0.66666666666667 0.25000000000000 79.904 > 109 117 Br 0.66666666666667 0.66666666666667 0.25000000000000 79.904 > 109 118 Br 0.00000000000000 0.00000000000000 0.75000000000000 79.904 > 109 119 Br 0.33333333333333 0.00000000000000 0.75000000000000 79.904 > 109 120 Br 0.66666666666667 0.00000000000000 0.75000000000000 79.904 > 109 121 Br 0.00000000000000 0.33333333333333 0.75000000000000 79.904 > 109 122 Br 0.33333333333333 0.33333333333333 0.75000000000000 79.904 > 109 123 Br 0.66666666666667 0.33333333333333 0.75000000000000 79.904 > 109 124 Br 0.00000000000000 0.66666666666667 0.75000000000000 79.904 > 109 125 Br 0.33333333333333 0.66666666666667 0.75000000000000 79.904 > 109 126 Br 0.66666666666667 0.66666666666667 0.75000000000000 79.904 > 109 127 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 127 128 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 127 129 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 127 130 Y 0.00000000000000 0.33333333333333 0.00000000000000 88.906 > 127 131 Y 0.33333333333333 0.33333333333333 0.00000000000000 88.906 > 127 132 Y 0.66666666666667 0.33333333333333 0.00000000000000 88.906 > 127 133 Y 0.00000000000000 0.66666666666667 0.00000000000000 88.906 > 127 134 Y 0.33333333333333 0.66666666666667 0.00000000000000 88.906 > 127 135 Y 0.66666666666667 0.66666666666667 0.00000000000000 88.906 > 127 136 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 127 137 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 127 138 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 127 139 Y 0.00000000000000 0.33333333333333 0.50000000000000 88.906 > 127 140 Y 0.33333333333333 0.33333333333333 0.50000000000000 88.906 > 127 141 Y 0.66666666666667 0.33333333333333 0.50000000000000 88.906 > 127 142 Y 0.00000000000000 0.66666666666667 0.50000000000000 88.906 > 127 143 Y 0.33333333333333 0.66666666666667 0.50000000000000 88.906 > 127 144 Y 0.66666666666667 0.66666666666667 0.50000000000000 88.906 > 127----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.5281673 0.0000000 0.0000000 0.0000000 6.5281673 0.0000000 0.0000000 0.0000000 5.6790146-------------------------- Born effective charges -------------------------- 1 O -3.8646848 0.0000000 0.0000000 0.0000000 -2.1347741 0.0000000 0.0000000 0.0000000 -2.2615914 2 O -2.1347741 0.0000000 0.0000000 0.0000000 -3.8646848 0.0000000 0.0000000 0.0000000 -2.2615914 3 O -3.8646848 0.0000000 0.0000000 0.0000000 -2.1347741 0.0000000 0.0000000 0.0000000 -2.2615914 4 O -2.1347741 0.0000000 0.0000000 0.0000000 -3.8646848 0.0000000 0.0000000 0.0000000 -2.2615914 5 Bi 5.1547798 0.0000000 0.0000000 0.0000000 5.1547798 0.0000000 0.0000000 0.0000000 2.7063524 6 Bi 5.1547798 0.0000000 0.0000000 0.0000000 5.1547798 0.0000000 0.0000000 0.0000000 2.7063524 7 Br -1.9886652 0.0000000 0.0000000 0.0000000 -1.9886652 0.0000000 0.0000000 0.0000000 -1.7836245 8 Y 3.6780233 0.0000000 0.0000000 0.0000000 3.6780233 0.0000000 0.0000000 0.0000000 5.4172853----------------------------------------------------------------------------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[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 109, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 127, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 10:54:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 10:54:04]-------------------------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): [3 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P4/mmm (123)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.865613030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.865613030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.086012050000001Atomic positions (fractional): 1 O 0.00000000000000 0.50000000000000 0.15012079352484 15.999 2 O 0.50000000000000 0.00000000000000 0.84987920647516 15.999 3 O 0.00000000000000 0.50000000000000 0.84987920647516 15.999 4 O 0.50000000000000 0.00000000000000 0.15012079352484 15.999 5 Bi 0.50000000000000 0.50000000000000 0.27338544618735 208.980 6 Bi 0.50000000000000 0.50000000000000 0.72661455381265 208.980 7 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 8 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906-------------------------------- supercell ---------------------------------Lattice vectors: a 11.596839090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.596839090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.172024100000002Atomic positions (fractional): 1 O 0.00000000000000 0.16666666666667 0.07506039676242 15.999 > 1 2 O 0.33333333333333 0.16666666666667 0.07506039676242 15.999 > 1 3 O 0.66666666666667 0.16666666666667 0.07506039676242 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.07506039676242 15.999 > 1 5 O 0.33333333333333 0.50000000000000 0.07506039676242 15.999 > 1 6 O 0.66666666666667 0.50000000000000 0.07506039676242 15.999 > 1 7 O 0.00000000000000 0.83333333333333 0.07506039676242 15.999 > 1 8 O 0.33333333333333 0.83333333333333 0.07506039676242 15.999 > 1 9 O 0.66666666666667 0.83333333333333 0.07506039676242 15.999 > 1 10 O 0.00000000000000 0.16666666666667 0.57506039676242 15.999 > 1 11 O 0.33333333333333 0.16666666666667 0.57506039676242 15.999 > 1 12 O 0.66666666666667 0.16666666666667 0.57506039676242 15.999 > 1 13 O 0.00000000000000 0.50000000000000 0.57506039676242 15.999 > 1 14 O 0.33333333333333 0.50000000000000 0.57506039676242 15.999 > 1 15 O 0.66666666666667 0.50000000000000 0.57506039676242 15.999 > 1 16 O 0.00000000000000 0.83333333333333 0.57506039676242 15.999 > 1 17 O 0.33333333333333 0.83333333333333 0.57506039676242 15.999 > 1 18 O 0.66666666666667 0.83333333333333 0.57506039676242 15.999 > 1 19 O 0.16666666666667 0.00000000000000 0.42493960323758 15.999 > 19 20 O 0.50000000000000 0.00000000000000 0.42493960323758 15.999 > 19 21 O 0.83333333333333 0.00000000000000 0.42493960323758 15.999 > 19 22 O 0.16666666666667 0.33333333333333 0.42493960323758 15.999 > 19 23 O 0.50000000000000 0.33333333333333 0.42493960323758 15.999 > 19 24 O 0.83333333333333 0.33333333333333 0.42493960323758 15.999 > 19 25 O 0.16666666666667 0.66666666666667 0.42493960323758 15.999 > 19 26 O 0.50000000000000 0.66666666666667 0.42493960323758 15.999 > 19 27 O 0.83333333333333 0.66666666666667 0.42493960323758 15.999 > 19 28 O 0.16666666666667 0.00000000000000 0.92493960323758 15.999 > 19 29 O 0.50000000000000 0.00000000000000 0.92493960323758 15.999 > 19 30 O 0.83333333333333 0.00000000000000 0.92493960323758 15.999 > 19 31 O 0.16666666666667 0.33333333333333 0.92493960323758 15.999 > 19 32 O 0.50000000000000 0.33333333333333 0.92493960323758 15.999 > 19 33 O 0.83333333333333 0.33333333333333 0.92493960323758 15.999 > 19 34 O 0.16666666666667 0.66666666666667 0.92493960323758 15.999 > 19 35 O 0.50000000000000 0.66666666666667 0.92493960323758 15.999 > 19 36 O 0.83333333333333 0.66666666666667 0.92493960323758 15.999 > 19 37 O 0.00000000000000 0.16666666666667 0.42493960323758 15.999 > 37 38 O 0.33333333333333 0.16666666666667 0.42493960323758 15.999 > 37 39 O 0.66666666666667 0.16666666666667 0.42493960323758 15.999 > 37 40 O 0.00000000000000 0.50000000000000 0.42493960323758 15.999 > 37 41 O 0.33333333333333 0.50000000000000 0.42493960323758 15.999 > 37 42 O 0.66666666666667 0.50000000000000 0.42493960323758 15.999 > 37 43 O 0.00000000000000 0.83333333333333 0.42493960323758 15.999 > 37 44 O 0.33333333333333 0.83333333333333 0.42493960323758 15.999 > 37 45 O 0.66666666666667 0.83333333333333 0.42493960323758 15.999 > 37 46 O 0.00000000000000 0.16666666666667 0.92493960323758 15.999 > 37 47 O 0.33333333333333 0.16666666666667 0.92493960323758 15.999 > 37 48 O 0.66666666666667 0.16666666666667 0.92493960323758 15.999 > 37 49 O 0.00000000000000 0.50000000000000 0.92493960323758 15.999 > 37 50 O 0.33333333333333 0.50000000000000 0.92493960323758 15.999 > 37 51 O 0.66666666666667 0.50000000000000 0.92493960323758 15.999 > 37 52 O 0.00000000000000 0.83333333333333 0.92493960323758 15.999 > 37 53 O 0.33333333333333 0.83333333333333 0.92493960323758 15.999 > 37 54 O 0.66666666666667 0.83333333333333 0.92493960323758 15.999 > 37 55 O 0.16666666666667 0.00000000000000 0.07506039676242 15.999 > 55 56 O 0.50000000000000 0.00000000000000 0.07506039676242 15.999 > 55 57 O 0.83333333333333 0.00000000000000 0.07506039676242 15.999 > 55 58 O 0.16666666666667 0.33333333333333 0.07506039676242 15.999 > 55 59 O 0.50000000000000 0.33333333333333 0.07506039676242 15.999 > 55 60 O 0.83333333333333 0.33333333333333 0.07506039676242 15.999 > 55 61 O 0.16666666666667 0.66666666666667 0.07506039676242 15.999 > 55 62 O 0.50000000000000 0.66666666666667 0.07506039676242 15.999 > 55 63 O 0.83333333333333 0.66666666666667 0.07506039676242 15.999 > 55 64 O 0.16666666666667 0.00000000000000 0.57506039676242 15.999 > 55 65 O 0.50000000000000 0.00000000000000 0.57506039676242 15.999 > 55 66 O 0.83333333333333 0.00000000000000 0.57506039676242 15.999 > 55 67 O 0.16666666666667 0.33333333333333 0.57506039676242 15.999 > 55 68 O 0.50000000000000 0.33333333333333 0.57506039676242 15.999 > 55 69 O 0.83333333333333 0.33333333333333 0.57506039676242 15.999 > 55 70 O 0.16666666666667 0.66666666666667 0.57506039676242 15.999 > 55 71 O 0.50000000000000 0.66666666666667 0.57506039676242 15.999 > 55 72 O 0.83333333333333 0.66666666666667 0.57506039676242 15.999 > 55 73 Bi 0.16666666666667 0.16666666666667 0.13669272309367 208.980 > 73 74 Bi 0.50000000000000 0.16666666666667 0.13669272309367 208.980 > 73 75 Bi 0.83333333333333 0.16666666666667 0.13669272309367 208.980 > 73 76 Bi 0.16666666666667 0.50000000000000 0.13669272309367 208.980 > 73 77 Bi 0.50000000000000 0.50000000000000 0.13669272309367 208.980 > 73 78 Bi 0.83333333333333 0.50000000000000 0.13669272309367 208.980 > 73 79 Bi 0.16666666666667 0.83333333333333 0.13669272309367 208.980 > 73 80 Bi 0.50000000000000 0.83333333333333 0.13669272309367 208.980 > 73 81 Bi 0.83333333333333 0.83333333333333 0.13669272309367 208.980 > 73 82 Bi 0.16666666666667 0.16666666666667 0.63669272309367 208.980 > 73 83 Bi 0.50000000000000 0.16666666666667 0.63669272309367 208.980 > 73 84 Bi 0.83333333333333 0.16666666666667 0.63669272309367 208.980 > 73 85 Bi 0.16666666666667 0.50000000000000 0.63669272309367 208.980 > 73 86 Bi 0.50000000000000 0.50000000000000 0.63669272309367 208.980 > 73 87 Bi 0.83333333333333 0.50000000000000 0.63669272309367 208.980 > 73 88 Bi 0.16666666666667 0.83333333333333 0.63669272309367 208.980 > 73 89 Bi 0.50000000000000 0.83333333333333 0.63669272309367 208.980 > 73 90 Bi 0.83333333333333 0.83333333333333 0.63669272309367 208.980 > 73 91 Bi 0.16666666666667 0.16666666666667 0.36330727690633 208.980 > 91 92 Bi 0.50000000000000 0.16666666666667 0.36330727690633 208.980 > 91 93 Bi 0.83333333333333 0.16666666666667 0.36330727690633 208.980 > 91 94 Bi 0.16666666666667 0.50000000000000 0.36330727690633 208.980 > 91 95 Bi 0.50000000000000 0.50000000000000 0.36330727690633 208.980 > 91 96 Bi 0.83333333333333 0.50000000000000 0.36330727690633 208.980 > 91 97 Bi 0.16666666666667 0.83333333333333 0.36330727690633 208.980 > 91 98 Bi 0.50000000000000 0.83333333333333 0.36330727690633 208.980 > 91 99 Bi 0.83333333333333 0.83333333333333 0.36330727690633 208.980 > 91 100 Bi 0.16666666666667 0.16666666666667 0.86330727690633 208.980 > 91 101 Bi 0.50000000000000 0.16666666666667 0.86330727690633 208.980 > 91 102 Bi 0.83333333333333 0.16666666666667 0.86330727690633 208.980 > 91 103 Bi 0.16666666666667 0.50000000000000 0.86330727690633 208.980 > 91 104 Bi 0.50000000000000 0.50000000000000 0.86330727690633 208.980 > 91 105 Bi 0.83333333333333 0.50000000000000 0.86330727690633 208.980 > 91 106 Bi 0.16666666666667 0.83333333333333 0.86330727690633 208.980 > 91 107 Bi 0.50000000000000 0.83333333333333 0.86330727690633 208.980 > 91 108 Bi 0.83333333333333 0.83333333333333 0.86330727690633 208.980 > 91 109 Br 0.00000000000000 0.00000000000000 0.25000000000000 79.904 > 109 110 Br 0.33333333333333 0.00000000000000 0.25000000000000 79.904 > 109 111 Br 0.66666666666667 0.00000000000000 0.25000000000000 79.904 > 109 112 Br 0.00000000000000 0.33333333333333 0.25000000000000 79.904 > 109 113 Br 0.33333333333333 0.33333333333333 0.25000000000000 79.904 > 109 114 Br 0.66666666666667 0.33333333333333 0.25000000000000 79.904 > 109 115 Br 0.00000000000000 0.66666666666667 0.25000000000000 79.904 > 109 116 Br 0.33333333333333 0.66666666666667 0.25000000000000 79.904 > 109 117 Br 0.66666666666667 0.66666666666667 0.25000000000000 79.904 > 109 118 Br 0.00000000000000 0.00000000000000 0.75000000000000 79.904 > 109 119 Br 0.33333333333333 0.00000000000000 0.75000000000000 79.904 > 109 120 Br 0.66666666666667 0.00000000000000 0.75000000000000 79.904 > 109 121 Br 0.00000000000000 0.33333333333333 0.75000000000000 79.904 > 109 122 Br 0.33333333333333 0.33333333333333 0.75000000000000 79.904 > 109 123 Br 0.66666666666667 0.33333333333333 0.75000000000000 79.904 > 109 124 Br 0.00000000000000 0.66666666666667 0.75000000000000 79.904 > 109 125 Br 0.33333333333333 0.66666666666667 0.75000000000000 79.904 > 109 126 Br 0.66666666666667 0.66666666666667 0.75000000000000 79.904 > 109 127 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 127 128 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 127 129 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 127 130 Y 0.00000000000000 0.33333333333333 0.00000000000000 88.906 > 127 131 Y 0.33333333333333 0.33333333333333 0.00000000000000 88.906 > 127 132 Y 0.66666666666667 0.33333333333333 0.00000000000000 88.906 > 127 133 Y 0.00000000000000 0.66666666666667 0.00000000000000 88.906 > 127 134 Y 0.33333333333333 0.66666666666667 0.00000000000000 88.906 > 127 135 Y 0.66666666666667 0.66666666666667 0.00000000000000 88.906 > 127 136 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 127 137 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 127 138 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 127 139 Y 0.00000000000000 0.33333333333333 0.50000000000000 88.906 > 127 140 Y 0.33333333333333 0.33333333333333 0.50000000000000 88.906 > 127 141 Y 0.66666666666667 0.33333333333333 0.50000000000000 88.906 > 127 142 Y 0.00000000000000 0.66666666666667 0.50000000000000 88.906 > 127 143 Y 0.33333333333333 0.66666666666667 0.50000000000000 88.906 > 127 144 Y 0.66666666666667 0.66666666666667 0.50000000000000 88.906 > 127----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 6.5281673 0.0000000 0.0000000 0.0000000 6.5281673 0.0000000 0.0000000 0.0000000 5.6790146-------------------------- Born effective charges -------------------------- 1 O -3.8646848 0.0000000 0.0000000 0.0000000 -2.1347741 0.0000000 0.0000000 0.0000000 -2.2615914 2 O -2.1347741 0.0000000 0.0000000 0.0000000 -3.8646848 0.0000000 0.0000000 0.0000000 -2.2615914 3 O -3.8646848 0.0000000 0.0000000 0.0000000 -2.1347741 0.0000000 0.0000000 0.0000000 -2.2615914 4 O -2.1347741 0.0000000 0.0000000 0.0000000 -3.8646848 0.0000000 0.0000000 0.0000000 -2.2615914 5 Bi 5.1547798 0.0000000 0.0000000 0.0000000 5.1547798 0.0000000 0.0000000 0.0000000 2.7063524 6 Bi 5.1547798 0.0000000 0.0000000 0.0000000 5.1547798 0.0000000 0.0000000 0.0000000 2.7063524 7 Br -1.9886652 0.0000000 0.0000000 0.0000000 -1.9886652 0.0000000 0.0000000 0.0000000 -1.7836245 8 Y 3.6780233 0.0000000 0.0000000 0.0000000 3.6780233 0.0000000 0.0000000 0.0000000 5.4172853----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy)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 ... [ 13 13 6 ]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: 0.81, Number of G-points: 299, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/112) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.754 ( 0.000 0.000 0.000) 0.000 1.754 ( 0.000 0.000 0.000) 0.000 2.192 ( 0.000 0.000 0.000) 0.000 2.192 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 7.029 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 0.000 0.000) 0.000 9.447 ( 0.000 0.000 0.000) 0.000 12.420 ( 0.000 0.000 0.000) 0.000 12.808 ( 0.000 0.000 0.000) 0.000 13.787 ( 0.000 0.000 0.000) 0.000 13.787 ( 0.000 0.000 0.000) 0.000 13.935 ( 0.000 0.000 0.000) 0.000 13.935 ( 0.000 0.000 0.000) 0.000 16.056 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/112) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.327 ( 18.108 0.000 0.000) 18.108 0.633 ( 30.356 0.000 0.000) 30.356 0.920 ( 45.006 0.000 0.000) 45.006 1.794 ( 3.745 0.000 0.000) 3.745 1.878 ( 11.400 0.000 0.000) 11.400 2.203 ( 1.038 0.000 0.000) 1.038 2.525 ( 0.636 0.000 0.000) 0.636 2.669 ( 2.966 0.000 0.000) 2.966 3.556 ( -6.604 0.000 0.000) 6.604 3.955 ( 0.507 0.000 0.000) 0.507 4.229 ( 18.989 0.000 0.000) 18.989 6.857 ( -15.053 0.000 0.000) 15.053 8.709 ( 11.395 0.000 0.000) 11.395 8.872 ( 12.618 0.000 0.000) 12.618 8.934 ( 15.137 0.000 0.000) 15.137 9.424 ( -0.910 0.000 0.000) 0.910 12.039 ( 1.551 0.000 0.000) 1.551 12.347 ( -6.712 0.000 0.000) 6.712 12.801 ( -0.500 0.000 0.000) 0.500 13.747 ( -4.046 0.000 0.000) 4.046 13.887 ( 9.280 0.000 0.000) 9.280 13.910 ( -2.508 0.000 0.000) 2.508 15.934 ( -10.276 0.000 0.000) 10.276 16.305 ( -0.078 0.000 0.000) 0.078======================= Grid point 2 (3/112) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.724 ( 21.446 0.000 0.000) 21.446 1.185 ( 24.769 0.000 0.000) 24.769 1.763 ( 38.823 0.000 0.000) 38.823 1.889 ( 5.364 0.000 0.000) 5.364 2.140 ( 12.679 0.000 0.000) 12.679 2.231 ( 1.731 0.000 0.000) 1.731 2.568 ( 4.763 0.000 0.000) 4.763 2.742 ( 3.796 0.000 0.000) 3.796 3.455 ( -2.825 0.000 0.000) 2.825 3.968 ( 0.780 0.000 0.000) 0.780 4.683 ( 25.592 0.000 0.000) 25.592 6.518 ( -17.434 0.000 0.000) 17.434 9.034 ( 20.774 0.000 0.000) 20.774 9.060 ( -6.314 0.000 0.000) 6.314 9.231 ( 22.943 0.000 0.000) 22.943 9.590 ( 19.395 0.000 0.000) 19.395 12.070 ( 1.243 0.000 0.000) 1.243 12.185 ( -8.889 0.000 0.000) 8.889 12.803 ( 1.133 0.000 0.000) 1.133 13.626 ( -8.091 0.000 0.000) 8.091 13.836 ( -4.935 0.000 0.000) 4.935 14.118 ( 13.031 0.000 0.000) 13.031 15.697 ( -12.986 0.000 0.000) 12.986 16.246 ( -5.980 0.000 0.000) 5.980======================= Grid point 3 (4/112) =======================q-point: ( 0.23 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( 22.706 0.000 0.000) 22.706 1.612 ( 18.109 0.000 0.000) 18.109 1.994 ( 4.920 0.000 0.000) 4.920 2.268 ( 1.844 0.000 0.000) 1.844 2.306 ( 4.050 0.000 0.000) 4.050 2.417 ( 25.347 0.000 0.000) 25.347 2.747 ( 12.152 0.000 0.000) 12.152 2.796 ( 1.233 0.000 0.000) 1.233 3.489 ( 7.669 0.000 0.000) 7.669 3.983 ( 0.743 0.000 0.000) 0.743 5.214 ( 26.950 0.000 0.000) 26.950 6.201 ( -13.790 0.000 0.000) 13.790 8.814 ( -16.048 0.000 0.000) 16.048 9.509 ( 26.191 0.000 0.000) 26.191 9.760 ( 29.478 0.000 0.000) 29.478 10.026 ( 21.878 0.000 0.000) 21.878 12.009 ( -8.598 0.000 0.000) 8.598 12.076 ( -0.710 0.000 0.000) 0.710 12.861 ( 4.905 0.000 0.000) 4.905 13.425 ( -12.121 0.000 0.000) 12.121 13.715 ( -7.100 0.000 0.000) 7.100 14.376 ( 12.359 0.000 0.000) 12.359 15.428 ( -13.844 0.000 0.000) 13.844 16.075 ( -10.732 0.000 0.000) 10.732======================= Grid point 4 (5/112) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( 22.612 0.000 0.000) 22.612 1.911 ( 12.181 0.000 0.000) 12.181 2.078 ( 3.542 0.000 0.000) 3.542 2.300 ( 1.301 0.000 0.000) 1.301 2.350 ( 1.213 0.000 0.000) 1.213 2.708 ( 2.279 0.000 0.000) 2.279 2.830 ( 5.362 0.000 0.000) 5.362 2.967 ( 8.271 0.000 0.000) 8.271 3.767 ( 18.370 0.000 0.000) 18.370 3.996 ( 0.510 0.000 0.000) 0.510 5.724 ( 23.559 0.000 0.000) 23.559 5.987 ( -7.568 0.000 0.000) 7.568 8.470 ( -17.578 0.000 0.000) 17.578 10.041 ( 26.305 0.000 0.000) 26.305 10.376 ( 31.818 0.000 0.000) 31.818 10.418 ( 17.094 0.000 0.000) 17.094 11.849 ( -7.416 0.000 0.000) 7.416 12.048 ( -1.835 0.000 0.000) 1.835 12.993 ( 8.041 0.000 0.000) 8.041 13.145 ( -16.015 0.000 0.000) 16.015 13.558 ( -8.496 0.000 0.000) 8.496 14.595 ( 9.347 0.000 0.000) 9.347 15.149 ( -14.078 0.000 0.000) 14.078 15.843 ( -11.889 0.000 0.000) 11.889======================= Grid point 5 (6/112) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 19.756 0.000 0.000) 19.756 2.105 ( 7.517 0.000 0.000) 7.517 2.134 ( 2.035 0.000 0.000) 2.035 2.316 ( 0.189 0.000 0.000) 0.189 2.374 ( 1.778 0.000 0.000) 1.778 2.668 ( -3.162 0.000 0.000) 3.162 2.936 ( 3.850 0.000 0.000) 3.850 3.043 ( -0.767 0.000 0.000) 0.767 4.004 ( 0.258 0.000 0.000) 0.258 4.123 ( 15.563 0.000 0.000) 15.563 5.895 ( -2.103 0.000 0.000) 2.103 6.124 ( 16.066 0.000 0.000) 16.066 8.151 ( -13.615 0.000 0.000) 13.615 10.516 ( 20.354 0.000 0.000) 20.354 10.696 ( 10.688 0.000 0.000) 10.688 10.998 ( 29.906 0.000 0.000) 29.906 11.720 ( -5.311 0.000 0.000) 5.311 12.014 ( -1.470 0.000 0.000) 1.470 12.793 ( -19.006 0.000 0.000) 19.006 13.163 ( 8.371 0.000 0.000) 8.371 13.390 ( -7.881 0.000 0.000) 7.881 14.743 ( 5.565 0.000 0.000) 5.565 14.881 ( -12.241 0.000 0.000) 12.241 15.628 ( -9.109 0.000 0.000) 9.109======================= Grid point 6 (7/112) =======================q-point: ( 0.46 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( 0.654 0.000 0.000) 0.654 2.215 ( 3.316 0.000 0.000) 3.316 2.303 ( 3.760 0.000 0.000) 3.760 2.307 ( -0.815 0.000 0.000) 0.815 2.482 ( 8.866 0.000 0.000) 8.866 2.619 ( -1.376 0.000 0.000) 1.376 2.961 ( -5.458 0.000 0.000) 5.458 2.984 ( 1.132 0.000 0.000) 1.132 4.007 ( 0.073 0.000 0.000) 0.073 4.341 ( 5.785 0.000 0.000) 5.785 5.879 ( -0.072 0.000 0.000) 0.072 6.344 ( 5.701 0.000 0.000) 5.701 7.959 ( -5.147 0.000 0.000) 5.147 10.807 ( 7.948 0.000 0.000) 7.948 10.840 ( 3.663 0.000 0.000) 3.663 11.511 ( 18.552 0.000 0.000) 18.552 11.645 ( -2.003 0.000 0.000) 2.003 11.994 ( -0.513 0.000 0.000) 0.513 12.429 ( -14.678 0.000 0.000) 14.678 13.270 ( -3.484 0.000 0.000) 3.484 13.295 ( 3.978 0.000 0.000) 3.978 14.696 ( -5.371 0.000 0.000) 5.371 14.817 ( 1.818 0.000 0.000) 1.818 15.500 ( -3.412 0.000 0.000) 3.412======================= Grid point 14 (8/112) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.471 ( 13.294 13.294 0.000) 18.800 0.573 ( 14.169 14.169 0.000) 20.038 1.412 ( 31.045 31.045 0.000) 43.905 1.903 ( 7.020 7.020 0.000) 9.927 1.925 ( 7.526 7.526 0.000) 10.643 2.231 ( 2.097 2.097 0.000) 2.965 2.526 ( 0.280 0.280 0.000) 0.396 2.735 ( 5.031 5.031 0.000) 7.115 3.464 ( -6.420 -6.420 0.000) 9.079 4.137 ( 9.079 9.079 0.000) 12.839 4.256 ( 9.713 9.713 0.000) 13.736 6.747 ( -10.594 -10.594 0.000) 14.982 8.574 ( -0.977 -0.977 0.000) 1.382 8.652 ( -4.782 -4.782 0.000) 6.763 9.378 ( 25.425 25.425 0.000) 35.957 9.380 ( -3.431 -3.431 0.000) 4.852 12.177 ( 7.437 7.437 0.000) 10.518 12.294 ( -4.908 -4.908 0.000) 6.941 12.742 ( -3.695 -3.695 0.000) 5.226 13.631 ( -7.829 -7.829 0.000) 11.072 13.789 ( -7.129 -7.129 0.000) 10.082 14.050 ( 12.091 12.091 0.000) 17.100 15.859 ( -7.519 -7.519 0.000) 10.633 16.431 ( 4.987 4.987 0.000) 7.052======================= Grid point 15 (9/112) =======================q-point: ( 0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.808 ( 19.611 8.516 0.000) 21.380 1.047 ( 27.186 -5.461 0.000) 27.729 1.994 ( 25.882 16.388 0.000) 30.634 2.004 ( 5.371 10.741 0.000) 12.009 2.171 ( 12.334 3.008 0.000) 12.696 2.283 ( 3.638 4.092 0.000) 5.475 2.558 ( 4.192 -0.803 0.000) 4.269 2.840 ( 5.061 9.267 0.000) 10.559 3.360 ( -3.288 -6.645 0.000) 7.414 4.194 ( 1.795 19.488 0.000) 19.570 4.671 ( 25.775 -0.569 0.000) 25.781 6.474 ( -15.522 -4.658 0.000) 16.206 8.688 ( 6.418 -21.908 0.000) 22.829 8.751 ( 16.694 -19.853 0.000) 25.939 9.259 ( -6.664 -2.181 0.000) 7.012 9.909 ( 25.997 21.771 0.000) 33.909 12.176 ( -6.353 -0.551 0.000) 6.377 12.257 ( 0.530 14.693 0.000) 14.702 12.708 ( 0.945 -9.102 0.000) 9.151 13.456 ( -10.019 -13.287 0.000) 16.641 13.657 ( -6.760 -13.474 0.000) 15.074 14.318 ( 14.237 15.933 0.000) 21.367 15.663 ( -11.528 -4.249 0.000) 12.286 16.434 ( -3.916 13.758 0.000) 14.304======================= Grid point 16 (10/112) =======================q-point: ( 0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( 21.863 6.105 0.000) 22.700 1.546 ( 21.903 -4.402 0.000) 22.341 2.112 ( 5.287 11.121 0.000) 12.313 2.285 ( 3.974 3.563 0.000) 5.338 2.326 ( 3.408 1.957 0.000) 3.930 2.495 ( 16.026 4.117 0.000) 16.546 2.735 ( 12.413 -1.120 0.000) 12.463 2.912 ( 1.658 10.659 0.000) 10.787 3.370 ( 5.186 -7.314 0.000) 8.966 4.247 ( 3.722 21.757 0.000) 22.073 5.208 ( 27.215 -0.307 0.000) 27.217 6.175 ( -13.645 -2.717 0.000) 13.913 8.726 ( -7.356 -11.499 0.000) 13.651 9.174 ( 24.557 -28.114 0.000) 37.329 9.260 ( 10.884 -25.912 0.000) 28.105 10.391 ( 22.140 15.103 0.000) 26.800 12.056 ( -5.481 5.395 0.000) 7.691 12.213 ( -4.056 9.012 0.000) 9.883 12.779 ( 5.334 -7.008 0.000) 8.807 13.225 ( -13.244 -16.826 0.000) 21.414 13.510 ( -7.913 -16.045 0.000) 17.891 14.596 ( 13.246 18.466 0.000) 22.725 15.418 ( -12.811 -1.835 0.000) 12.942 16.301 ( -8.921 18.499 0.000) 20.538======================= Grid point 17 (11/112) =======================q-point: ( 0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 22.202 4.986 0.000) 22.755 1.907 ( 14.457 0.060 0.000) 14.457 2.208 ( 4.225 12.064 0.000) 12.782 2.334 ( 1.627 3.678 0.000) 4.022 2.361 ( 1.017 1.125 0.000) 1.517 2.711 ( 4.840 0.079 0.000) 4.841 2.926 ( 1.112 8.333 0.000) 8.407 2.961 ( 8.683 -0.398 0.000) 8.693 3.546 ( 10.587 -11.115 0.000) 15.350 4.349 ( 6.685 24.399 0.000) 25.299 5.722 ( 23.719 0.000 0.000) 23.719 5.956 ( -7.975 -3.047 0.000) 8.537 8.463 ( -15.940 -1.102 0.000) 15.978 9.608 ( 20.770 -43.875 0.000) 48.543 9.686 ( 25.970 -31.293 0.000) 40.666 10.783 ( 17.138 3.631 0.000) 17.518 11.964 ( -3.540 12.518 0.000) 13.009 12.129 ( -3.756 2.747 0.000) 4.653 12.868 ( 1.681 -11.591 0.000) 11.712 12.930 ( -16.285 -18.441 0.000) 24.602 13.367 ( -5.046 -13.267 0.000) 14.194 14.831 ( 10.109 20.285 0.000) 22.664 15.161 ( -12.790 0.668 0.000) 12.807 16.105 ( -10.102 21.905 0.000) 24.122======================= Grid point 18 (12/112) =======================q-point: ( 0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( 19.043 4.671 0.000) 19.607 2.131 ( 8.379 2.759 0.000) 8.822 2.281 ( 3.307 13.227 0.000) 13.634 2.354 ( 0.366 3.875 0.000) 3.892 2.384 ( 1.833 0.974 0.000) 2.075 2.723 ( -1.718 4.330 0.000) 4.659 2.971 ( 2.629 3.869 0.000) 4.678 3.045 ( -0.563 0.315 0.000) 0.645 3.725 ( 6.654 -13.616 0.000) 15.155 4.502 ( 7.910 23.662 0.000) 24.949 5.856 ( -2.448 -3.871 0.000) 4.580 6.125 ( 16.145 0.167 0.000) 16.146 8.163 ( -13.125 0.936 0.000) 13.159 10.008 ( 17.978 -46.497 0.000) 49.851 10.167 ( 21.179 -31.131 0.000) 37.652 11.070 ( 11.610 -14.071 0.000) 18.243 11.926 ( 0.099 19.672 0.000) 19.672 12.081 ( -0.758 0.793 0.000) 1.097 12.589 ( -17.504 -16.642 0.000) 24.153 12.786 ( -9.105 -29.065 0.000) 30.458 13.360 ( 3.616 -3.616 0.000) 5.114 14.923 ( -10.617 3.864 0.000) 11.298 14.993 ( 6.096 21.548 0.000) 22.394 15.923 ( -7.699 24.491 0.000) 25.672======================= Grid point 19 (13/112) =======================q-point: ( 0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.248 ( 3.352 3.578 0.000) 4.903 2.299 ( 2.572 11.600 0.000) 11.882 2.337 ( 1.063 4.681 0.000) 4.800 2.350 ( -0.589 4.122 0.000) 4.164 2.520 ( 10.506 4.016 0.000) 11.247 2.690 ( -1.056 6.178 0.000) 6.268 2.961 ( -5.970 0.089 0.000) 5.971 3.009 ( 1.000 2.741 0.000) 2.918 3.808 ( 1.919 -12.729 0.000) 12.872 4.625 ( 3.564 21.133 0.000) 21.431 5.836 ( -0.177 -4.336 0.000) 4.339 6.346 ( 5.724 0.234 0.000) 5.729 7.976 ( -5.022 1.459 0.000) 5.230 10.271 ( 7.300 -41.957 0.000) 42.587 10.477 ( 8.669 -29.146 0.000) 30.408 11.234 ( 4.464 -32.984 0.000) 33.285 11.986 ( 5.727 23.597 0.000) 24.282 12.097 ( 1.552 5.567 0.000) 5.779 12.267 ( -13.308 -11.491 0.000) 17.583 12.598 ( -7.031 -44.418 0.000) 44.971 13.438 ( 2.768 -1.439 0.000) 3.119 14.765 ( -4.447 6.778 0.000) 8.106 15.073 ( 2.009 22.206 0.000) 22.297 15.815 ( -2.857 25.971 0.000) 26.128======================= Grid point 28 (14/112) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( 15.748 15.748 0.000) 22.271 1.141 ( 14.658 14.658 0.000) 20.730 2.248 ( 7.305 7.305 0.000) 10.331 2.267 ( 10.742 10.742 0.000) 15.192 2.295 ( 12.732 12.732 0.000) 18.006 2.362 ( 4.334 4.334 0.000) 6.129 2.555 ( 1.742 1.742 0.000) 2.464 3.038 ( 7.691 7.691 0.000) 10.877 3.263 ( -1.520 -1.520 0.000) 2.150 4.625 ( 14.748 14.748 0.000) 20.856 4.719 ( 13.721 13.721 0.000) 19.404 6.325 ( -10.246 -10.246 0.000) 14.490 8.360 ( -9.681 -9.681 0.000) 13.691 8.505 ( -2.843 -2.843 0.000) 4.020 9.156 ( -8.189 -8.189 0.000) 11.581 10.285 ( 15.127 15.127 0.000) 21.393 12.183 ( 1.576 1.576 0.000) 2.228 12.457 ( -11.589 -11.589 0.000) 16.389 12.552 ( 10.224 10.224 0.000) 14.459 13.165 ( -15.598 -15.598 0.000) 22.059 13.408 ( -11.121 -11.121 0.000) 15.727 14.663 ( 17.828 17.828 0.000) 25.213 15.533 ( -8.217 -8.217 0.000) 11.621 16.633 ( 5.047 5.047 0.000) 7.137======================= Grid point 29 (15/112) =======================q-point: ( 0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( 19.681 12.518 0.000) 23.325 1.534 ( 22.162 4.857 0.000) 22.688 2.356 ( 4.307 5.929 0.000) 7.329 2.405 ( 2.468 7.728 0.000) 8.112 2.414 ( 3.383 12.937 0.000) 13.372 2.548 ( 10.213 1.860 0.000) 10.381 2.713 ( 13.153 -0.592 0.000) 13.167 3.082 ( -0.894 2.272 0.000) 2.442 3.327 ( 5.519 5.254 0.000) 7.620 4.744 ( 5.562 26.929 0.000) 27.497 5.220 ( 27.228 2.049 0.000) 27.305 6.089 ( -12.484 -6.035 0.000) 13.866 8.308 ( 3.371 -25.234 0.000) 25.458 8.623 ( 13.361 -23.283 0.000) 26.845 8.939 ( -12.739 -10.189 0.000) 16.313 10.511 ( 7.941 -1.783 0.000) 8.139 12.176 ( -14.309 -15.137 0.000) 20.830 12.235 ( 3.096 11.864 0.000) 12.261 12.742 ( 6.089 5.351 0.000) 8.106 12.839 ( -16.915 -21.266 0.000) 27.173 13.213 ( -7.983 -13.020 0.000) 15.273 15.003 ( 15.822 20.937 0.000) 26.243 15.355 ( -9.274 -4.023 0.000) 10.109 16.645 ( -3.086 13.779 0.000) 14.120======================= Grid point 30 (16/112) =======================q-point: ( 0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 21.207 10.594 0.000) 23.706 1.945 ( 17.884 4.493 0.000) 18.439 2.390 ( 0.482 1.706 0.000) 1.773 2.444 ( 1.485 7.040 0.000) 7.195 2.509 ( 5.608 16.962 0.000) 17.865 2.713 ( 6.135 0.252 0.000) 6.140 2.960 ( 9.921 0.687 0.000) 9.945 3.072 ( 0.229 3.983 0.000) 3.990 3.428 ( 4.712 0.328 0.000) 4.724 4.871 ( 6.814 27.200 0.000) 28.040 5.734 ( 23.719 1.569 0.000) 23.770 5.868 ( -9.037 -5.818 0.000) 10.748 8.373 ( -3.211 -12.222 0.000) 12.637 8.766 ( 1.782 -35.334 0.000) 35.379 8.982 ( 21.483 -35.806 0.000) 41.756 10.607 ( 1.590 -17.230 0.000) 17.303 11.909 ( -12.306 -25.155 0.000) 28.004 12.249 ( -4.826 7.146 0.000) 8.623 12.543 ( -9.581 -13.409 0.000) 16.480 12.715 ( -9.272 -1.771 0.000) 9.440 13.153 ( 2.470 -8.970 0.000) 9.304 15.177 ( -8.347 1.277 0.000) 8.444 15.280 ( 11.802 22.956 0.000) 25.812 16.544 ( -6.291 19.629 0.000) 20.612======================= Grid point 31 (17/112) =======================q-point: ( 0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.225 ( 10.295 6.845 0.000) 12.363 2.232 ( 18.423 9.385 0.000) 20.676 2.411 ( 2.773 1.822 0.000) 3.318 2.464 ( 0.423 6.836 0.000) 6.849 2.611 ( 4.274 18.527 0.000) 19.013 2.792 ( 2.076 2.305 0.000) 3.102 3.067 ( 0.324 2.474 0.000) 2.495 3.089 ( 1.259 6.849 0.000) 6.964 3.520 ( 4.290 -6.550 0.000) 7.830 5.001 ( 5.859 25.925 0.000) 26.579 5.743 ( -3.585 -7.433 0.000) 8.252 6.137 ( 16.118 1.232 0.000) 16.165 8.170 ( -12.106 -1.078 0.000) 12.154 9.025 ( 19.016 -50.536 0.000) 53.995 9.429 ( 22.069 -40.100 0.000) 45.772 10.560 ( -6.581 -32.250 0.000) 32.915 11.690 ( -9.671 -38.067 0.000) 39.277 12.027 ( -12.898 -19.578 0.000) 23.445 12.459 ( -14.094 -3.774 0.000) 14.591 12.499 ( 1.535 15.530 0.000) 15.606 13.238 ( 4.583 -8.847 0.000) 9.964 15.033 ( -5.857 7.209 0.000) 9.288 15.468 ( 7.049 24.059 0.000) 25.070 16.422 ( -5.434 23.082 0.000) 23.713======================= Grid point 32 (18/112) =======================q-point: ( 0.46 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.364 ( 3.829 8.099 0.000) 8.958 2.383 ( 0.951 2.721 0.000) 2.882 2.461 ( -0.555 6.735 0.000) 6.757 2.638 ( 13.402 10.764 0.000) 17.189 2.673 ( 2.497 18.085 0.000) 18.257 2.811 ( 0.227 4.810 0.000) 4.815 2.980 ( -7.745 2.753 0.000) 8.219 3.111 ( 0.677 7.690 0.000) 7.720 3.584 ( 1.823 -9.386 0.000) 9.561 5.087 ( 2.384 24.480 0.000) 24.596 5.708 ( -0.547 -8.539 0.000) 8.557 6.357 ( 5.705 1.045 0.000) 5.800 7.989 ( -5.006 -1.633 0.000) 5.266 9.384 ( 13.326 -44.652 0.000) 46.599 9.783 ( 10.908 -38.463 0.000) 39.980 10.379 ( -8.668 -49.015 0.000) 49.776 11.535 ( -4.962 -51.940 0.000) 52.177 11.842 ( -4.835 -22.965 0.000) 23.469 12.236 ( -6.615 0.051 0.000) 6.615 12.529 ( 0.942 21.741 0.000) 21.761 13.306 ( 1.848 -11.103 0.000) 11.255 14.952 ( -2.120 11.479 0.000) 11.673 15.561 ( 2.315 24.524 0.000) 24.633 16.344 ( -2.085 24.681 0.000) 24.769======================= Grid point 42 (19/112) =======================q-point: ( 0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( 17.093 17.093 0.000) 24.173 1.749 ( 15.758 15.758 0.000) 22.286 2.409 ( 1.307 1.307 0.000) 1.848 2.553 ( 4.963 4.963 0.000) 7.018 2.595 ( 4.584 4.584 0.000) 6.483 2.728 ( 12.210 12.210 0.000) 17.268 2.737 ( 6.965 6.965 0.000) 9.850 3.070 ( -0.746 -0.746 0.000) 1.055 3.462 ( 5.201 5.201 0.000) 7.356 5.254 ( 16.169 16.169 0.000) 22.866 5.327 ( 15.911 15.911 0.000) 22.502 5.931 ( -9.683 -9.683 0.000) 13.694 7.912 ( -12.372 -12.372 0.000) 17.497 8.324 ( -6.198 -6.198 0.000) 8.765 8.709 ( -14.257 -14.257 0.000) 20.163 10.402 ( -7.543 -7.543 0.000) 10.667 11.767 ( -23.012 -23.012 0.000) 32.543 12.385 ( -23.630 -23.630 0.000) 33.417 12.483 ( 11.535 11.535 0.000) 16.313 12.860 ( 3.345 3.345 0.000) 4.731 12.979 ( -10.011 -10.011 0.000) 14.158 15.276 ( -3.590 -3.590 0.000) 5.077 15.394 ( 17.892 17.892 0.000) 25.303 16.822 ( 4.325 4.325 0.000) 6.116======================= Grid point 43 (20/112) =======================q-point: ( 0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.077 ( 19.432 14.761 0.000) 24.403 2.100 ( 17.824 11.112 0.000) 21.004 2.422 ( 0.439 1.403 0.000) 1.470 2.596 ( 1.161 7.792 0.000) 7.878 2.724 ( 6.273 0.810 0.000) 6.325 2.834 ( 6.245 14.105 0.000) 15.426 3.017 ( 12.114 6.270 0.000) 13.640 3.089 ( 2.946 -0.154 0.000) 2.950 3.510 ( -0.004 5.122 0.000) 5.122 5.405 ( 6.128 25.873 0.000) 26.588 5.727 ( -9.997 -8.330 0.000) 13.013 5.793 ( 22.696 4.260 0.000) 23.092 7.845 ( 5.411 -30.344 0.000) 30.823 8.366 ( 9.631 -24.303 0.000) 26.142 8.375 ( -18.185 -13.234 0.000) 22.490 10.229 ( -10.505 -18.580 0.000) 21.344 11.311 ( -22.349 -31.787 0.000) 38.858 11.899 ( -24.005 -28.259 0.000) 37.078 12.690 ( -14.339 -2.340 0.000) 14.528 12.691 ( 8.803 13.720 0.000) 16.302 12.962 ( 2.265 -11.119 0.000) 11.348 15.221 ( -1.813 3.233 0.000) 3.707 15.702 ( 12.848 18.902 0.000) 22.855 16.843 ( -1.398 10.390 0.000) 10.484======================= Grid point 44 (21/112) =======================q-point: ( 0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.401 ( 11.591 10.604 0.000) 15.710 2.413 ( 4.133 5.086 0.000) 6.554 2.487 ( 15.701 9.124 0.000) 18.159 2.612 ( 0.429 7.773 0.000) 7.784 2.825 ( 3.835 1.349 0.000) 4.065 2.954 ( 5.155 14.147 0.000) 15.057 3.181 ( 5.765 1.895 0.000) 6.068 3.183 ( 3.965 10.643 0.000) 11.358 3.485 ( -1.943 2.739 0.000) 3.359 5.512 ( 4.402 24.826 0.000) 25.213 5.566 ( -5.680 -10.200 0.000) 11.675 6.178 ( 15.468 2.934 0.000) 15.744 7.972 ( -9.153 -34.798 0.000) 35.981 8.167 ( 14.241 -19.114 0.000) 23.836 8.664 ( 18.740 -34.821 0.000) 39.544 9.931 ( -20.592 -28.060 0.000) 34.805 10.885 ( -20.254 -39.588 0.000) 44.468 11.486 ( -15.987 -32.179 0.000) 35.931 12.394 ( -14.268 -4.413 0.000) 14.935 12.831 ( 5.225 14.994 0.000) 15.878 12.995 ( 1.113 -15.789 0.000) 15.828 15.201 ( -0.437 9.190 0.000) 9.201 15.904 ( 7.459 19.204 0.000) 20.602 16.795 ( -2.777 14.258 0.000) 14.526======================= Grid point 45 (22/112) =======================q-point: ( 0.46 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.433 ( 0.324 2.384 0.000) 2.406 2.558 ( 4.618 10.445 0.000) 11.420 2.609 ( -0.938 8.399 0.000) 8.451 2.821 ( 14.150 8.312 0.000) 16.411 2.875 ( 1.228 2.201 0.000) 2.520 3.006 ( -1.326 12.101 0.000) 12.173 3.181 ( -2.569 19.189 0.000) 19.360 3.284 ( 3.536 7.962 0.000) 8.711 3.447 ( -1.479 -3.508 0.000) 3.807 5.500 ( -1.354 -12.214 0.000) 12.288 5.573 ( 1.654 23.807 0.000) 23.865 6.390 ( 5.466 2.204 0.000) 5.893 7.773 ( -5.970 -24.861 0.000) 25.568 8.637 ( 25.459 -26.652 0.000) 36.858 9.012 ( 12.387 -37.599 0.000) 39.587 9.432 ( -26.020 -42.016 0.000) 49.421 10.545 ( -11.415 -45.346 0.000) 46.761 11.285 ( -4.648 -32.922 0.000) 33.248 12.177 ( -6.174 -5.897 0.000) 8.538 12.900 ( 1.732 15.429 0.000) 15.526 13.009 ( 0.349 -18.512 0.000) 18.516 15.197 ( -0.011 12.521 0.000) 12.521 16.001 ( 2.412 19.229 0.000) 19.380 16.752 ( -1.254 16.065 0.000) 16.114======================= Grid point 56 (23/112) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.367 ( 14.594 14.594 0.000) 20.640 2.395 ( 16.458 16.458 0.000) 23.276 2.447 ( 1.494 1.494 0.000) 2.112 2.740 ( 2.957 2.957 0.000) 4.183 2.745 ( 4.782 4.782 0.000) 6.763 3.039 ( 8.156 8.156 0.000) 11.534 3.112 ( 2.849 2.849 0.000) 4.029 3.230 ( 12.926 12.926 0.000) 18.281 3.576 ( 1.215 1.215 0.000) 1.718 5.539 ( -10.217 -10.217 0.000) 14.449 5.860 ( 13.630 13.630 0.000) 19.275 5.910 ( 12.735 12.735 0.000) 18.011 7.390 ( -14.591 -14.591 0.000) 20.634 8.059 ( -6.117 -6.117 0.000) 8.650 8.078 ( -15.471 -15.471 0.000) 21.879 9.897 ( -15.831 -15.831 0.000) 22.388 10.701 ( -28.944 -28.944 0.000) 40.933 11.300 ( -30.365 -30.365 0.000) 42.942 12.592 ( -9.989 -9.989 0.000) 14.127 12.721 ( -10.085 -10.085 0.000) 14.262 12.927 ( 9.653 9.653 0.000) 13.652 15.300 ( 4.336 4.336 0.000) 6.133 16.021 ( 13.069 13.069 0.000) 18.482 16.973 ( 3.218 3.218 0.000) 4.551======================= Grid point 57 (24/112) =======================q-point: ( 0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.464 ( 0.903 1.745 0.000) 1.965 2.623 ( 9.547 10.511 0.000) 14.199 2.730 ( 15.662 13.213 0.000) 20.491 2.763 ( 1.437 6.672 0.000) 6.825 2.863 ( 5.188 3.615 0.000) 6.323 3.189 ( 6.578 11.469 0.000) 13.222 3.205 ( 6.201 1.500 0.000) 6.380 3.463 ( 9.500 15.062 0.000) 17.808 3.564 ( -2.015 3.824 0.000) 4.322 5.345 ( -8.479 -11.834 0.000) 14.558 5.966 ( 3.300 20.345 0.000) 20.611 6.246 ( 14.199 3.542 0.000) 14.634 7.206 ( -7.082 -34.196 0.000) 34.922 7.892 ( 1.280 -14.018 0.000) 14.077 8.107 ( 9.572 -20.086 0.000) 22.250 9.511 ( -25.243 -14.430 0.000) 29.076 10.172 ( -23.856 -31.291 0.000) 39.348 10.778 ( -19.705 -38.155 0.000) 42.943 12.284 ( -16.899 -6.163 0.000) 17.988 12.617 ( -2.755 -21.640 0.000) 21.815 13.076 ( 5.470 9.735 0.000) 11.167 15.381 ( 3.492 8.470 0.000) 9.162 16.223 ( 7.365 12.895 0.000) 14.850 16.998 ( -0.073 6.534 0.000) 6.534======================= Grid point 58 (25/112) =======================q-point: ( 0.46 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.478 ( 0.382 2.022 0.000) 2.057 2.720 ( 1.380 6.259 0.000) 6.409 2.803 ( 1.764 7.762 0.000) 7.960 2.940 ( 2.141 6.700 0.000) 7.034 2.973 ( 7.219 7.822 0.000) 10.644 3.285 ( 2.731 16.362 0.000) 16.588 3.331 ( 5.168 -0.878 0.000) 5.243 3.510 ( -2.860 6.838 0.000) 7.412 3.581 ( 2.429 19.058 0.000) 19.212 5.229 ( -2.912 -14.800 0.000) 15.084 6.010 ( 1.121 19.550 0.000) 19.582 6.439 ( 4.977 2.568 0.000) 5.600 7.070 ( -4.765 -39.628 0.000) 39.914 8.181 ( 24.348 -23.631 0.000) 33.930 8.336 ( 9.395 -29.386 0.000) 30.851 8.900 ( -32.564 -10.351 0.000) 34.169 9.791 ( -12.162 -29.395 0.000) 31.812 10.543 ( -4.980 -41.046 0.000) 41.347 12.022 ( -7.604 -9.005 0.000) 11.786 12.582 ( -0.868 -23.911 0.000) 23.927 13.147 ( 1.767 9.662 0.000) 9.823 15.430 ( 1.303 10.432 0.000) 10.513 16.319 ( 2.341 12.709 0.000) 12.923 16.990 ( -0.383 8.202 0.000) 8.211======================= Grid point 70 (26/112) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.494 ( 1.264 1.264 0.000) 1.788 2.776 ( 4.714 4.714 0.000) 6.666 2.834 ( 1.736 1.736 0.000) 2.456 2.980 ( 11.128 11.128 0.000) 15.737 3.016 ( 9.400 9.400 0.000) 13.294 3.255 ( 3.458 3.458 0.000) 4.890 3.432 ( 12.371 12.371 0.000) 17.495 3.616 ( 1.339 1.339 0.000) 1.894 3.737 ( 11.998 11.998 0.000) 16.968 5.106 ( -11.615 -11.615 0.000) 16.426 6.296 ( 8.015 8.015 0.000) 11.335 6.314 ( 7.460 7.460 0.000) 10.550 6.650 ( -21.784 -21.784 0.000) 30.808 7.701 ( -2.271 -2.271 0.000) 3.211 7.873 ( -4.270 -4.270 0.000) 6.039 9.263 ( -14.670 -14.670 0.000) 20.746 9.660 ( -19.869 -19.869 0.000) 28.099 10.049 ( -31.049 -31.049 0.000) 43.910 12.156 ( -11.801 -11.801 0.000) 16.688 12.186 ( -14.550 -14.550 0.000) 20.577 13.224 ( 5.317 5.317 0.000) 7.520 15.524 ( 5.714 5.714 0.000) 8.081 16.421 ( 7.106 7.106 0.000) 10.049 17.078 ( 2.053 2.053 0.000) 2.903======================= Grid point 71 (27/112) =======================q-point: ( 0.46 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 340Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.512 ( 0.482 1.400 0.000) 1.481 2.822 ( 0.641 3.929 0.000) 3.981 2.867 ( 1.198 0.977 0.000) 1.546 3.139 ( 4.250 8.250 0.000) 9.280 3.149 ( 3.280 11.080 0.000) 11.555 3.327 ( 2.817 0.494 0.000) 2.860 3.625 ( -0.064 4.389 0.000) 4.390 3.638 ( 6.683 18.536 0.000) 19.703 3.911 ( 4.678 13.774 0.000) 14.546 4.920 ( -5.707 -15.907 0.000) 16.900 6.334 ( 0.732 12.650 0.000) 12.671 6.346 ( -8.161 -30.999 0.000) 32.055 6.483 ( 4.538 1.689 0.000) 4.842 7.823 ( 10.948 -8.863 0.000) 14.086 7.866 ( 1.311 -17.630 0.000) 17.678 8.840 ( -21.638 0.513 0.000) 21.644 9.392 ( -6.861 -11.151 0.000) 13.093 9.692 ( -6.270 -42.740 0.000) 43.198 11.847 ( -9.447 -7.897 0.000) 12.313 12.096 ( -2.004 -23.370 0.000) 23.456 13.293 ( 1.680 5.153 0.000) 5.420 15.602 ( 1.991 6.679 0.000) 6.969 16.512 ( 2.230 6.924 0.000) 7.274 17.098 ( 0.335 3.191 0.000) 3.209======================= Grid point 84 (28/112) =======================q-point: ( 0.46 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( 0.503 0.503 0.000) 0.712 2.873 ( 1.019 1.019 0.000) 1.441 2.878 ( 0.528 0.528 0.000) 0.747 3.264 ( 3.511 3.511 0.000) 4.966 3.310 ( 4.102 4.102 0.000) 5.801 3.342 ( 0.947 0.947 0.000) 1.339 3.682 ( 1.367 1.367 0.000) 1.933 3.981 ( 13.528 13.528 0.000) 19.131 4.110 ( 5.578 5.578 0.000) 7.889 4.621 ( -12.171 -12.171 0.000) 17.213 5.904 ( -11.944 -11.944 0.000) 16.892 6.504 ( 2.595 2.595 0.000) 3.669 6.506 ( 2.339 2.339 0.000) 3.308 7.633 ( -5.824 -5.824 0.000) 8.236 7.840 ( 7.125 7.125 0.000) 10.076 8.828 ( -6.096 -6.096 0.000) 8.620 8.983 ( -19.379 -19.379 0.000) 27.406 9.292 ( -0.941 -0.941 0.000) 1.330 11.729 ( -6.705 -6.705 0.000) 9.482 11.736 ( -7.182 -7.182 0.000) 10.157 13.359 ( 1.602 1.602 0.000) 2.265 15.691 ( 2.277 2.277 0.000) 3.220 16.601 ( 2.160 2.160 0.000) 3.055 17.134 ( 0.733 0.733 0.000) 1.037======================= Grid point 169 (29/112) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.335 ( -0.000 0.000 17.510) 17.510 0.335 ( -0.000 -0.000 17.510) 17.510 0.579 ( 0.000 0.000 30.121) 30.121 1.696 ( 0.000 0.000 -5.909) 5.909 1.696 ( -0.000 0.000 -5.909) 5.909 2.208 ( 0.000 0.000 1.408) 1.408 2.208 ( 0.000 0.000 1.408) 1.408 3.184 ( 0.000 0.000 -16.211) 16.211 3.792 ( 0.000 0.000 9.214) 9.214 3.952 ( 0.000 0.000 0.234) 0.234 3.952 ( 0.000 0.000 0.234) 0.234 7.126 ( 0.000 0.000 0.113) 0.113 8.600 ( 0.000 0.000 0.658) 0.658 8.600 ( 0.000 -0.000 0.658) 0.658 8.736 ( 0.000 0.000 -0.870) 0.870 8.736 ( -0.000 -0.000 -0.870) 0.870 9.451 ( 0.000 0.000 0.387) 0.387 12.806 ( -0.000 -0.000 -0.188) 0.188 13.783 ( 0.000 0.000 -0.459) 0.459 13.783 ( 0.000 0.000 -0.459) 0.459 13.941 ( 0.000 0.000 0.581) 0.581 13.941 ( -0.000 -0.000 0.581) 0.581 15.728 ( -0.000 0.000 3.190) 3.190 16.055 ( 0.000 0.000 -0.209) 0.209======================= Grid point 170 (30/112) =======================q-point: ( 0.08 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 273Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.517 ( 8.788 0.000 15.934) 18.196 0.713 ( 26.595 0.000 7.858) 27.732 1.019 ( 37.771 0.000 9.276) 38.893 1.740 ( 4.180 0.000 -5.456) 6.873 1.845 ( 13.210 0.000 -3.466) 13.657 2.217 ( 0.926 0.000 1.309) 1.604 2.360 ( 9.057 0.000 -5.566) 10.631 2.829 ( -11.995 0.000 2.460) 12.244 3.611 ( -8.957 0.000 5.632) 10.581 3.957 ( 0.475 0.000 0.202) 0.516 4.201 ( 19.663 0.000 -2.152) 19.781 6.891 ( -16.022 0.000 2.856) 16.274 8.715 ( 11.396 0.000 0.658) 11.415 8.864 ( 12.644 0.000 -0.843) 12.672 8.941 ( 16.679 0.000 0.653) 16.691 9.429 ( -1.003 0.000 0.479) 1.111 10.531 ( 80.799 0.000 -66.956) 104.936 12.776 ( -2.940 0.000 -0.196) 2.946 13.385 ( -32.359 0.000 31.809) 45.375 13.743 ( -3.954 0.000 -0.371) 3.972 13.915 ( -2.605 0.000 0.488) 2.650 13.948 ( 9.765 0.000 7.456) 12.286 15.792 ( -3.543 0.000 -18.794) 19.125 16.038 ( 1.779 0.000 -7.395) 7.606======================= Grid point 171 (31/112) =======================q-point: ( 0.15 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 273Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.781 ( 17.503 0.000 5.701) 18.408 1.223 ( 23.584 0.000 3.936) 23.910 1.775 ( 35.501 0.000 0.453) 35.504 1.846 ( 6.064 0.000 -4.303) 7.435 2.145 ( 14.731 0.000 1.131) 14.775 2.242 ( 1.514 0.000 1.017) 1.824 2.505 ( 6.777 0.000 -4.599) 8.190 2.762 ( 2.542 0.000 0.324) 2.563 3.475 ( -4.320 0.000 2.012) 4.766 3.969 ( 0.735 0.000 0.124) 0.746 4.661 ( 25.832 0.000 -2.004) 25.909 6.546 ( -17.591 0.000 2.562) 17.776 9.040 ( 20.752 0.000 0.628) 20.761 9.097 ( -5.616 0.000 3.699) 6.724 9.224 ( 23.010 0.000 -0.743) 23.022 9.594 ( 19.947 0.000 0.374) 19.951 11.485 ( 26.732 0.000 -30.723) 40.725 12.648 ( -13.909 0.000 12.197) 18.499 12.886 ( -12.637 0.000 14.678) 19.369 13.625 ( -7.950 0.000 -0.143) 7.951 13.838 ( -5.089 0.000 0.243) 5.095 14.190 ( 13.269 0.000 8.090) 15.540 15.629 ( -10.389 0.000 -9.365) 13.987 16.051 ( -2.233 0.000 -15.704) 15.862======================= Grid point 172 (32/112) =======================q-point: ( 0.23 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 273Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 21.554 0.000 1.158) 21.586 1.633 ( 17.455 0.000 2.189) 17.592 1.966 ( 5.696 0.000 -2.822) 6.356 2.274 ( 1.570 0.000 0.571) 1.671 2.280 ( 8.786 0.000 -2.813) 9.225 2.429 ( 18.874 0.000 1.490) 18.933 2.675 ( 7.780 0.000 -4.285) 8.882 2.868 ( 8.428 0.000 4.122) 9.382 3.479 ( 6.140 0.000 -0.906) 6.207 3.984 ( 0.707 0.000 0.043) 0.708 5.197 ( 27.228 0.000 -1.572) 27.273 6.223 ( -14.223 0.000 2.090) 14.375 8.855 ( -16.492 0.000 3.996) 16.969 9.514 ( 26.142 0.000 0.544) 26.147 9.754 ( 29.580 0.000 -0.563) 29.586 10.036 ( 21.903 0.000 1.036) 21.928 11.822 ( 9.227 0.000 -9.812) 13.469 12.292 ( -17.072 0.000 12.775) 21.322 12.833 ( 3.022 0.000 -2.916) 4.200 13.427 ( -11.972 0.000 0.147) 11.973 13.714 ( -7.272 0.000 -0.082) 7.272 14.448 ( 12.214 0.000 7.698) 14.438 15.405 ( -12.132 0.000 -2.934) 12.482 15.946 ( -7.806 0.000 -12.659) 14.872======================= Grid point 173 (33/112) =======================q-point: ( 0.31 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 273Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 22.577 0.000 0.088) 22.577 1.921 ( 11.709 0.000 1.045) 11.756 2.066 ( 4.226 0.000 -1.332) 4.431 2.301 ( 1.072 0.000 0.092) 1.076 2.347 ( 1.286 0.000 -0.273) 1.315 2.710 ( 4.213 0.000 0.033) 4.214 2.733 ( 3.490 0.000 -6.447) 7.331 3.068 ( 8.724 0.000 7.131) 11.267 3.731 ( 17.267 0.000 -3.636) 17.646 3.996 ( 0.493 0.000 -0.009) 0.493 5.713 ( 23.855 0.000 -0.999) 23.876 5.999 ( -8.050 0.000 1.140) 8.131 8.487 ( -19.458 0.000 1.652) 19.528 10.045 ( 26.250 0.000 0.430) 26.253 10.373 ( 31.926 0.000 -0.342) 31.928 10.426 ( 16.858 0.000 0.698) 16.873 11.869 ( -5.093 0.000 2.196) 5.547 12.055 ( -4.950 0.000 0.670) 4.995 12.954 ( 8.439 0.000 -3.964) 9.323 13.149 ( -15.882 0.000 0.431) 15.888 13.554 ( -8.657 0.000 -0.418) 8.668 14.665 ( 9.351 0.000 7.335) 11.885 15.147 ( -13.590 0.000 -0.209) 13.591 15.765 ( -9.670 0.000 -8.146) 12.644======================= Grid point 174 (34/112) =======================q-point: ( 0.38 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 273Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( 20.481 0.000 0.569) 20.489 2.106 ( 6.849 0.000 0.034) 6.849 2.134 ( 2.795 0.000 -0.001) 2.795 2.313 ( 0.104 0.000 -0.227) 0.250 2.368 ( 1.364 0.000 -0.686) 1.527 2.670 ( -2.884 0.000 0.218) 2.892 2.829 ( 2.161 0.000 -6.459) 6.811 3.161 ( 0.713 0.000 7.940) 7.972 4.003 ( 0.254 0.000 -0.029) 0.255 4.067 ( 14.727 0.000 -5.626) 15.765 5.901 ( -2.155 0.000 0.554) 2.225 6.119 ( 16.287 0.000 -0.481) 16.294 8.124 ( -15.919 0.000 -2.712) 16.148 10.519 ( 20.321 0.000 0.337) 20.324 10.700 ( 10.640 0.000 0.391) 10.647 10.997 ( 29.959 0.000 -0.167) 29.959 11.723 ( -6.916 0.000 0.340) 6.925 12.023 ( -0.453 0.000 0.919) 1.024 12.800 ( -18.884 0.000 0.680) 18.896 13.139 ( 9.282 0.000 -2.367) 9.579 13.383 ( -8.007 0.000 -0.710) 8.038 14.814 ( 5.483 0.000 7.304) 9.133 14.881 ( -12.383 0.000 -0.037) 12.383 15.587 ( -7.673 0.000 -4.494) 8.892======================= Grid point 175 (35/112) =======================q-point: ( 0.46 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 273Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( 0.844 0.000 0.266) 0.885 2.212 ( 3.036 0.000 -0.234) 3.045 2.305 ( -0.720 0.000 -0.211) 0.750 2.318 ( 3.083 0.000 1.215) 3.314 2.487 ( 11.709 0.000 -0.609) 11.725 2.620 ( -2.425 0.000 1.143) 2.681 2.812 ( -3.500 0.000 -7.413) 8.198 3.134 ( -1.826 0.000 7.749) 7.961 4.007 ( 0.073 0.000 -0.032) 0.080 4.273 ( 5.432 0.000 -6.841) 8.735 5.887 ( 0.038 0.000 0.615) 0.617 6.342 ( 5.783 0.000 -0.182) 5.786 7.895 ( -6.200 0.000 -6.192) 8.763 10.810 ( 7.942 0.000 0.302) 7.948 10.845 ( 3.724 0.000 0.503) 3.757 11.509 ( 18.434 0.000 -0.216) 18.435 11.626 ( -2.537 0.000 -1.862) 3.147 12.017 ( -0.151 0.000 2.296) 2.301 12.439 ( -14.497 0.000 0.972) 14.529 13.261 ( -3.536 0.000 -0.896) 3.648 13.286 ( 4.442 0.000 -0.875) 4.527 14.688 ( -5.633 0.000 -0.786) 5.688 14.888 ( 1.792 0.000 7.343) 7.558 15.478 ( -2.887 0.000 -2.480) 3.806======================= Grid point 183 (36/112) =======================q-point: ( 0.08 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 273Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( 7.603 7.603 12.457) 16.456 0.661 ( 12.164 12.164 8.631) 19.246 1.456 ( 28.950 28.950 3.994) 41.135 1.838 ( 6.702 6.702 -6.394) 11.433 1.917 ( 9.038 9.038 -0.735) 12.803 2.251 ( 2.344 2.344 1.720) 3.734 2.424 ( 4.946 4.946 -5.621) 8.974 2.784 ( -1.566 -1.566 -0.004) 2.215 3.506 ( -7.473 -7.473 4.118) 11.343 4.140 ( 9.102 9.102 0.300) 12.876 4.234 ( 10.062 10.062 -1.838) 14.349 6.778 ( -10.804 -10.804 2.776) 15.530 8.583 ( -0.979 -0.979 0.916) 1.659 8.652 ( -4.297 -4.297 -0.014) 6.077 9.387 ( 26.065 26.065 0.895) 36.873 9.388 ( -3.294 -3.294 0.762) 4.721 11.167 ( 39.110 39.110 -48.597) 73.626 12.734 ( -3.995 -3.995 -0.853) 5.714 13.155 ( -19.798 -19.798 35.671) 45.347 13.630 ( -7.671 -7.671 -0.112) 10.849 13.794 ( -7.150 -7.150 0.478) 10.123 14.117 ( 12.500 12.500 7.882) 19.355 15.791 ( -4.809 -4.809 -10.817) 12.777 16.126 ( 7.571 7.571 -20.255) 22.910======================= Grid point 184 (37/112) =======================q-point: ( 0.15 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.851 ( 16.673 7.335 4.249) 18.704 1.095 ( 25.399 -5.032 4.786) 26.332 1.957 ( 6.177 10.151 -4.996) 12.890 2.004 ( 23.892 16.152 0.517) 28.844 2.176 ( 13.949 3.200 1.568) 14.397 2.304 ( 3.341 4.998 1.647) 6.233 2.518 ( 5.501 0.918 -3.658) 6.670 2.823 ( 4.780 6.610 -2.052) 8.411 3.377 ( -4.667 -7.019 1.699) 8.598 4.194 ( 1.787 19.423 0.039) 19.505 4.657 ( 25.871 -0.064 -1.414) 25.909 6.502 ( -15.721 -4.657 2.594) 16.600 8.698 ( 7.886 -22.373 0.928) 23.740 8.761 ( 16.169 -19.330 1.105) 25.225 9.270 ( -6.851 -2.155 1.128) 7.270 9.925 ( 26.119 22.635 1.613) 34.600 11.745 ( 19.454 19.838 -22.164) 35.542 12.599 ( -11.788 -4.881 6.546) 14.340 12.801 ( -10.589 -7.697 15.711) 20.450 13.460 ( -9.759 -13.211 0.436) 16.431 13.660 ( -6.856 -13.237 0.319) 14.911 14.389 ( 14.214 15.832 7.970) 22.720 15.629 ( -10.151 -2.512 -4.446) 11.363 16.218 ( 0.793 13.996 -19.975) 24.403======================= Grid point 185 (38/112) =======================q-point: ( 0.23 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.233 ( 20.998 5.844 0.833) 21.812 1.568 ( 21.043 -4.161 2.315) 21.575 2.077 ( 5.842 10.151 -3.661) 12.271 2.283 ( 5.145 4.128 0.229) 6.600 2.345 ( 2.340 3.208 1.563) 4.267 2.500 ( 15.215 4.587 0.524) 15.900 2.696 ( 10.594 1.434 -3.592) 11.278 2.929 ( 5.501 6.878 1.315) 8.905 3.358 ( 3.767 -7.783 -1.155) 8.723 4.246 ( 3.542 21.701 -0.105) 21.988 5.195 ( 27.393 0.051 -1.189) 27.419 6.196 ( -14.085 -2.765 2.049) 14.499 8.764 ( -7.130 -12.039 3.706) 14.475 9.177 ( 24.043 -28.178 0.426) 37.044 9.259 ( 11.080 -25.477 -0.127) 27.782 10.403 ( 21.628 15.635 1.198) 26.715 11.982 ( 5.268 12.686 -4.926) 14.593 12.316 ( -13.213 1.287 7.932) 15.465 12.750 ( 2.664 -6.922 -2.998) 8.000 13.234 ( -13.082 -16.511 0.781) 21.080 13.512 ( -7.972 -15.703 0.170) 17.611 14.664 ( 13.040 18.161 7.286) 23.515 15.408 ( -11.907 -1.095 -1.148) 12.012 16.166 ( -5.496 18.687 -13.604) 23.759======================= Grid point 186 (39/112) =======================q-point: ( 0.31 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( 22.218 4.958 0.063) 22.765 1.916 ( 13.985 0.046 1.024) 14.022 2.183 ( 4.706 10.463 -2.485) 11.739 2.344 ( 1.884 4.722 0.937) 5.169 2.366 ( 0.403 1.977 0.512) 2.082 2.713 ( 5.185 0.304 0.229) 5.199 2.821 ( 2.817 7.317 -6.021) 9.885 3.066 ( 7.271 0.085 6.010) 9.433 3.517 ( 10.303 -11.238 -2.975) 15.533 4.341 ( 6.140 24.414 -0.766) 25.186 5.714 ( 23.945 0.210 -0.779) 23.959 5.968 ( -8.441 -3.068 1.117) 9.050 8.481 ( -17.736 -1.024 1.704) 17.847 9.608 ( 21.177 -44.083 0.036) 48.906 9.693 ( 25.818 -31.192 0.618) 40.495 10.782 ( 16.472 3.699 -0.071) 16.882 11.993 ( -2.950 12.296 2.876) 12.967 12.129 ( -5.100 2.742 0.169) 5.793 12.823 ( 2.024 -11.703 -4.234) 12.609 12.943 ( -15.694 -17.770 0.982) 23.728 13.366 ( -5.403 -13.178 -0.134) 14.243 14.896 ( 10.065 19.886 6.858) 23.320 15.162 ( -12.619 0.781 0.073) 12.644 16.026 ( -7.839 22.066 -8.168) 24.800======================= Grid point 187 (40/112) =======================q-point: ( 0.38 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.095 ( 19.633 4.560 0.577) 20.163 2.132 ( 8.060 2.539 0.176) 8.452 2.265 ( 3.729 11.207 -1.578) 11.916 2.363 ( 0.082 5.856 0.875) 5.921 2.378 ( 1.377 1.070 -0.599) 1.844 2.726 ( -1.730 4.334 0.506) 4.693 2.874 ( 1.670 4.945 -5.900) 7.877 3.150 ( 0.682 -0.963 6.821) 6.922 3.696 ( 6.745 -13.908 -3.144) 15.773 4.480 ( 7.135 24.314 -2.127) 25.428 5.862 ( -2.517 -3.889 0.535) 4.663 6.121 ( 16.329 0.282 -0.360) 16.336 8.138 ( -15.279 1.229 -2.414) 15.518 10.011 ( 17.969 -46.551 0.370) 49.900 10.172 ( 21.182 -31.025 0.538) 37.570 11.059 ( 11.338 -14.231 -1.042) 18.225 11.940 ( -0.853 19.982 1.382) 20.048 12.085 ( -0.044 0.194 0.396) 0.444 12.597 ( -17.404 -16.578 0.856) 24.051 12.771 ( -8.277 -28.198 -1.554) 29.429 13.351 ( 3.513 -3.654 -0.884) 5.146 14.920 ( -10.821 3.844 -0.175) 11.485 15.060 ( 6.081 21.063 6.886) 22.980 15.879 ( -6.418 24.426 -4.639) 25.678======================= Grid point 188 (41/112) =======================q-point: ( 0.46 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.241 ( 2.800 3.295 -0.733) 4.386 2.301 ( 2.730 11.121 0.068) 11.451 2.342 ( 1.141 3.376 0.388) 3.585 2.352 ( -0.965 5.223 0.252) 5.317 2.526 ( 13.159 3.930 -0.379) 13.739 2.684 ( -2.866 5.675 0.511) 6.379 2.857 ( -3.252 4.677 -5.502) 7.920 3.122 ( -1.804 -0.963 6.569) 6.880 3.780 ( 1.974 -13.425 -2.981) 13.892 4.591 ( 3.202 22.387 -3.314) 22.856 5.843 ( -0.082 -4.389 0.575) 4.427 6.344 ( 5.795 0.305 -0.107) 5.804 7.918 ( -6.001 1.999 -5.663) 8.490 10.273 ( 7.184 -42.030 0.183) 42.640 10.483 ( 8.684 -29.051 0.560) 30.326 11.222 ( 4.476 -32.577 -1.247) 32.907 11.989 ( 5.601 23.992 0.361) 24.640 12.113 ( 1.992 4.791 1.566) 5.420 12.274 ( -13.439 -11.672 0.771) 17.817 12.591 ( -6.975 -43.878 -0.724) 44.435 13.432 ( 2.924 -1.415 -0.661) 3.315 14.758 ( -4.637 6.788 -0.772) 8.257 15.141 ( 2.017 21.794 6.968) 22.970 15.788 ( -2.433 25.699 -2.936) 25.980======================= Grid point 197 (42/112) =======================q-point: ( 0.15 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 273Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( 14.618 14.618 1.895) 20.760 1.184 ( 14.019 14.019 4.520) 20.335 2.174 ( 9.226 9.226 -7.651) 15.126 2.265 ( 7.795 7.795 1.860) 11.180 2.314 ( 11.992 11.992 1.916) 17.067 2.409 ( 5.910 5.910 2.912) 8.851 2.545 ( 3.069 3.069 -1.136) 4.486 2.996 ( 8.411 8.411 -4.381) 12.676 3.261 ( -3.523 -3.523 -0.024) 4.982 4.629 ( 14.740 14.740 0.342) 20.849 4.709 ( 13.963 13.963 -1.007) 19.772 6.351 ( -10.438 -10.438 2.476) 14.967 8.369 ( -9.426 -9.426 0.794) 13.354 8.521 ( -2.916 -2.916 1.703) 4.462 9.167 ( -8.179 -8.179 1.091) 11.618 10.314 ( 15.413 15.413 2.881) 21.987 12.093 ( 13.100 13.100 -6.946) 19.786 12.436 ( -11.796 -11.796 -2.036) 16.807 12.676 ( -2.034 -2.034 10.184) 10.583 13.170 ( -15.506 -15.506 0.434) 21.933 13.415 ( -10.999 -10.999 0.721) 15.571 14.731 ( 17.538 17.538 7.344) 25.867 15.522 ( -7.472 -7.472 -1.268) 10.643 16.457 ( 8.071 8.071 -17.598) 20.976======================= Grid point 198 (43/112) =======================q-point: ( 0.23 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.415 ( 19.264 12.370 0.404) 22.897 1.562 ( 21.286 4.999 2.862) 22.051 2.306 ( 5.084 11.173 -6.172) 13.740 2.369 ( 2.478 2.899 0.616) 3.863 2.476 ( 4.060 11.002 3.318) 12.187 2.564 ( 9.443 2.626 1.364) 9.895 2.717 ( 12.849 1.221 0.414) 12.913 3.070 ( -0.125 2.791 -1.347) 3.102 3.286 ( 4.974 3.091 -4.129) 7.166 4.743 ( 5.407 26.991 -0.101) 27.527 5.215 ( 27.291 2.362 -0.449) 27.396 6.109 ( -12.900 -6.160 1.902) 14.421 8.326 ( 3.977 -26.045 1.672) 26.400 8.633 ( 12.821 -22.971 1.130) 26.331 8.948 ( -13.082 -10.000 0.800) 16.486 10.535 ( 7.096 -1.465 2.308) 7.604 12.147 ( -12.399 -11.730 -2.386) 17.235 12.278 ( 2.689 8.184 3.917) 9.464 12.714 ( 2.924 4.518 -2.756) 6.047 12.851 ( -15.813 -20.775 1.007) 26.128 13.220 ( -8.165 -12.873 0.742) 15.262 15.064 ( 15.528 20.556 6.478) 26.564 15.355 ( -8.993 -3.778 -0.049) 9.754 16.529 ( -0.319 15.274 -11.880) 19.353======================= Grid point 199 (44/112) =======================q-point: ( 0.31 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 21.216 10.587 0.046) 23.711 1.956 ( 17.190 4.733 1.234) 17.873 2.380 ( 1.810 5.239 -2.433) 6.053 2.403 ( 2.039 5.425 -1.781) 6.063 2.553 ( 3.927 14.710 3.378) 15.595 2.722 ( 5.991 0.706 0.927) 6.103 2.943 ( 7.693 3.938 -1.787) 8.825 3.082 ( 2.573 0.778 1.070) 2.893 3.390 ( 5.151 -0.425 -3.960) 6.511 4.865 ( 6.540 27.379 -0.530) 28.154 5.731 ( 23.805 1.807 -0.303) 23.876 5.879 ( -9.432 -5.842 1.068) 11.146 8.395 ( -4.571 -11.976 2.185) 13.004 8.755 ( 2.446 -36.026 -1.022) 36.123 8.993 ( 20.990 -35.584 0.984) 41.325 10.610 ( 0.613 -17.051 0.308) 17.064 11.894 ( -11.911 -25.134 -1.494) 27.854 12.273 ( -6.370 5.115 2.476) 8.537 12.554 ( -8.686 -11.925 1.105) 14.795 12.702 ( -8.074 -0.706 -1.466) 8.237 13.148 ( 1.773 -9.323 -0.499) 9.503 15.177 ( -8.456 1.251 0.083) 8.548 15.337 ( 11.668 22.439 5.936) 25.978 16.474 ( -4.449 20.284 -7.247) 21.994======================= Grid point 200 (45/112) =======================q-point: ( 0.38 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.221 ( 11.113 6.892 -0.260) 13.079 2.238 ( 17.294 9.203 0.468) 19.596 2.405 ( 2.211 1.818 -0.640) 2.933 2.444 ( 1.793 7.492 -1.956) 7.948 2.624 ( 2.937 17.461 1.396) 17.762 2.801 ( 2.157 3.279 0.970) 4.042 3.016 ( 1.139 8.023 -3.256) 8.733 3.139 ( 1.020 0.532 3.245) 3.443 3.487 ( 4.391 -6.624 -3.392) 8.641 4.990 ( 5.571 26.364 -1.092) 26.969 5.749 ( -3.675 -7.410 0.540) 8.289 6.136 ( 16.224 1.375 -0.091) 16.282 8.153 ( -13.866 -0.696 -1.691) 13.986 9.027 ( 19.236 -50.539 0.280) 54.076 9.436 ( 21.985 -40.110 0.645) 45.745 10.551 ( -6.804 -32.119 -0.932) 32.845 11.682 ( -9.319 -37.944 -0.754) 39.079 12.036 ( -13.103 -19.867 0.891) 23.815 12.454 ( -11.991 -2.338 -0.227) 12.219 12.521 ( -0.378 14.550 1.950) 14.685 13.229 ( 4.668 -8.861 -0.929) 10.058 15.029 ( -6.107 7.078 -0.410) 9.357 15.524 ( 7.052 23.487 5.840) 25.209 16.380 ( -4.441 23.288 -4.422) 24.116======================= Grid point 201 (46/112) =======================q-point: ( 0.46 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.351 ( 3.283 7.929 -1.296) 8.679 2.383 ( 0.734 2.565 -0.030) 2.669 2.453 ( 0.273 6.732 -0.676) 6.771 2.640 ( 11.812 8.189 -1.972) 14.508 2.668 ( 4.133 18.687 1.399) 19.189 2.814 ( -1.431 7.475 0.960) 7.671 2.983 ( -4.751 6.382 -0.167) 7.958 3.125 ( -0.835 3.022 1.497) 3.474 3.552 ( 1.816 -9.227 -3.324) 9.974 5.071 ( 2.244 25.152 -1.529) 25.298 5.714 ( -0.482 -8.544 0.542) 8.575 6.358 ( 5.750 1.136 0.064) 5.862 7.947 ( -5.720 -0.643 -4.178) 7.112 9.386 ( 13.143 -44.633 0.163) 46.529 9.788 ( 10.870 -38.575 0.535) 40.081 10.371 ( -8.424 -49.028 -0.777) 49.752 11.533 ( -4.771 -51.447 -0.166) 51.668 11.848 ( -4.919 -23.013 0.616) 23.540 12.244 ( -6.417 -0.319 0.782) 6.472 12.539 ( 0.716 21.996 1.012) 22.031 13.298 ( 1.907 -11.186 -0.743) 11.371 14.944 ( -2.224 11.418 -0.805) 11.661 15.617 ( 2.320 23.898 5.851) 24.713 16.315 ( -1.773 24.683 -3.138) 24.945======================= Grid point 211 (47/112) =======================q-point: ( 0.23 0.23 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 273Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 17.054 17.054 0.239) 24.120 1.774 ( 15.432 15.432 2.666) 21.986 2.409 ( 1.154 1.154 -0.057) 1.633 2.484 ( 6.121 6.121 -6.344) 10.732 2.606 ( 4.411 4.411 1.059) 6.327 2.758 ( 11.303 11.303 2.305) 16.150 2.772 ( 7.269 7.269 3.749) 10.942 3.058 ( -1.044 -1.044 -1.182) 1.891 3.405 ( 5.371 5.371 -6.017) 9.691 5.257 ( 16.148 16.148 0.273) 22.838 5.323 ( 15.990 15.990 -0.392) 22.617 5.947 ( -9.935 -9.935 1.546) 14.135 7.920 ( -12.622 -12.622 0.774) 17.867 8.336 ( -6.371 -6.371 1.182) 9.087 8.717 ( -14.380 -14.380 0.799) 20.352 10.422 ( -8.122 -8.122 1.970) 11.654 11.748 ( -22.690 -22.690 -1.791) 32.139 12.390 ( -23.728 -23.728 0.422) 33.559 12.513 ( 11.025 11.025 3.060) 15.889 12.836 ( 3.704 3.704 -2.585) 5.842 12.988 ( -10.074 -10.074 0.904) 14.276 15.276 ( -3.656 -3.656 0.143) 5.172 15.448 ( 17.536 17.536 5.585) 25.420 16.739 ( 5.953 5.953 -8.572) 12.015======================= Grid point 212 (48/112) =======================q-point: ( 0.31 0.23 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( 19.259 14.833 0.194) 24.310 2.117 ( 17.432 11.328 1.731) 20.861 2.421 ( 0.462 1.516 -0.109) 1.588 2.560 ( 2.483 7.939 -3.783) 9.138 2.718 ( 5.865 0.769 -0.041) 5.916 2.870 ( 5.883 13.343 3.536) 15.005 3.029 ( 11.143 6.754 0.978) 13.067 3.074 ( 3.236 -0.469 -1.317) 3.525 3.462 ( 0.703 5.126 -4.956) 7.164 5.403 ( 5.967 26.031 -0.190) 26.707 5.737 ( -10.100 -8.308 0.994) 13.116 5.793 ( 22.615 4.270 0.024) 23.015 7.850 ( 5.176 -31.060 0.396) 31.490 8.357 ( -3.174 -18.288 -0.079) 18.562 8.395 ( -5.942 -19.048 1.109) 19.984 10.236 ( -11.179 -18.391 0.621) 21.531 11.301 ( -21.899 -31.391 -1.005) 38.289 11.902 ( -23.983 -28.543 0.358) 37.283 12.664 ( -7.092 3.032 -0.968) 7.773 12.738 ( 1.441 8.116 3.023) 8.780 12.953 ( 2.292 -10.853 -0.950) 11.133 15.218 ( -2.063 3.021 -0.245) 3.667 15.750 ( 12.634 18.449 4.956) 22.903 16.788 ( -0.200 11.196 -5.658) 12.546======================= Grid point 213 (49/112) =======================q-point: ( 0.38 0.23 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.401 ( 10.889 10.768 0.086) 15.314 2.417 ( 3.623 4.774 0.363) 6.004 2.485 ( 15.456 9.895 -0.222) 18.353 2.600 ( 1.906 8.158 -1.452) 8.502 2.816 ( 3.815 1.295 -0.560) 4.068 2.981 ( 4.667 13.304 2.659) 14.347 3.160 ( 5.739 2.889 -2.059) 6.747 3.195 ( 3.901 9.644 1.010) 10.453 3.452 ( -1.362 2.762 -3.523) 4.679 5.506 ( 4.088 24.473 -0.485) 24.817 5.574 ( -5.556 -9.526 0.698) 11.050 6.179 ( 15.515 2.986 0.113) 15.800 7.961 ( -9.794 -33.597 -1.072) 35.012 8.170 ( 14.166 -20.139 0.290) 24.624 8.669 ( 18.572 -34.965 0.498) 39.594 9.927 ( -21.002 -27.635 -0.475) 34.713 10.884 ( -19.787 -39.192 -0.093) 43.904 11.492 ( -15.839 -32.320 0.557) 35.997 12.392 ( -14.030 -4.504 -0.162) 14.736 12.850 ( 4.846 14.488 1.884) 15.392 12.987 ( 1.116 -15.291 -0.823) 15.353 15.193 ( -0.645 8.990 -0.749) 9.044 15.949 ( 7.361 18.625 4.628) 20.555 16.759 ( -2.098 14.615 -3.767) 15.238======================= Grid point 214 (50/112) =======================q-point: ( 0.46 0.23 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.433 ( 0.274 2.513 -0.057) 2.528 2.550 ( 4.165 11.241 -0.866) 12.019 2.599 ( -0.317 8.015 -0.815) 8.062 2.807 ( 9.184 8.471 -1.825) 12.627 2.887 ( 6.077 3.016 1.631) 6.978 3.026 ( -1.478 10.721 2.073) 11.019 3.190 ( -2.618 19.103 0.905) 19.303 3.263 ( 3.418 7.841 -2.209) 8.834 3.422 ( -1.197 -3.109 -2.594) 4.222 5.504 ( -1.268 -10.944 0.458) 11.027 5.570 ( 1.551 22.918 -0.420) 22.974 6.392 ( 5.487 2.222 0.185) 5.923 7.755 ( -6.170 -23.462 -1.740) 24.322 8.635 ( 25.353 -27.089 -0.188) 37.103 9.014 ( 12.263 -37.828 0.202) 39.767 9.422 ( -26.190 -42.041 -0.985) 49.541 10.552 ( -11.108 -44.923 0.733) 46.282 11.293 ( -4.587 -32.778 0.782) 33.106 12.178 ( -6.121 -6.205 0.088) 8.716 12.914 ( 1.639 15.496 1.441) 15.649 13.000 ( 0.300 -18.450 -0.882) 18.473 15.187 ( -0.082 12.348 -1.041) 12.392 16.045 ( 2.383 18.572 4.504) 19.259 16.725 ( -1.038 16.233 -2.881) 16.519======================= Grid point 225 (51/112) =======================q-point: ( 0.31 0.31 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 273Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.381 ( 14.258 14.258 1.565) 20.224 2.401 ( 16.539 16.539 0.598) 23.397 2.449 ( 1.757 1.757 0.183) 2.492 2.702 ( 5.414 5.414 -4.305) 8.784 2.743 ( 2.772 2.772 0.358) 3.937 3.064 ( 7.182 7.182 2.025) 10.356 3.094 ( 3.265 3.265 -1.262) 4.787 3.246 ( 12.743 12.743 1.509) 18.085 3.535 ( 1.755 1.755 -4.249) 4.920 5.549 ( -10.252 -10.252 0.923) 14.528 5.862 ( 13.587 13.587 0.170) 19.215 5.908 ( 12.762 12.762 -0.156) 18.049 7.386 ( -14.754 -14.754 -0.357) 20.868 8.064 ( -6.431 -6.431 0.474) 9.107 8.080 ( -15.591 -15.591 0.160) 22.049 9.907 ( -15.659 -15.659 1.045) 22.169 10.699 ( -28.531 -28.531 -0.194) 40.349 11.299 ( -30.465 -30.465 -0.058) 43.084 12.595 ( -10.184 -10.184 0.334) 14.407 12.696 ( -9.212 -9.212 -2.152) 13.204 12.957 ( 8.843 8.843 2.801) 12.816 15.292 ( 4.088 4.088 -0.734) 5.828 16.061 ( 12.716 12.716 4.095) 18.443 16.933 ( 3.887 3.887 -4.104) 6.861======================= Grid point 226 (52/112) =======================q-point: ( 0.38 0.31 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.467 ( 0.934 1.939 0.328) 2.177 2.624 ( 8.811 9.838 0.188) 13.208 2.730 ( 11.290 12.524 -0.119) 16.862 2.773 ( 6.960 8.822 1.097) 11.290 2.841 ( 5.187 3.452 -2.152) 6.592 3.184 ( 6.675 2.132 -1.973) 7.280 3.207 ( 5.795 10.410 1.740) 12.041 3.473 ( 9.181 14.923 1.013) 17.551 3.535 ( -1.508 4.162 -3.079) 5.393 5.353 ( -8.498 -11.708 0.858) 14.492 5.965 ( 3.208 20.395 -0.158) 20.647 6.247 ( 14.222 3.450 0.068) 14.634 7.203 ( -6.839 -33.985 -0.232) 34.667 7.885 ( 0.785 -14.528 -0.698) 14.566 8.109 ( 9.368 -20.249 0.169) 22.312 9.520 ( -25.624 -13.550 0.876) 28.999 10.178 ( -23.438 -30.969 0.612) 38.843 10.780 ( -19.279 -38.326 0.253) 42.903 12.280 ( -16.957 -6.283 -0.404) 18.088 12.606 ( -2.582 -21.558 -1.035) 21.737 13.098 ( 5.194 9.667 2.120) 11.177 15.368 ( 3.309 8.244 -1.188) 8.962 16.257 ( 7.151 12.406 3.507) 14.742 16.969 ( 0.341 6.883 -2.992) 7.512======================= Grid point 227 (53/112) =======================q-point: ( 0.46 0.31 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.481 ( 0.373 2.263 0.336) 2.318 2.718 ( 1.591 6.139 -0.230) 6.346 2.801 ( 1.672 8.114 -0.065) 8.285 2.912 ( 2.094 6.170 -2.324) 6.918 3.001 ( 7.460 8.969 2.360) 11.902 3.289 ( 2.247 15.317 0.463) 15.488 3.319 ( 5.577 0.272 -1.189) 5.709 3.486 ( -2.831 6.794 -2.463) 7.761 3.588 ( 2.303 18.809 0.628) 18.960 5.237 ( -2.908 -14.652 0.851) 14.962 6.008 ( 1.092 19.580 -0.274) 19.612 6.440 ( 4.977 2.447 0.084) 5.547 7.071 ( -4.700 -39.102 0.099) 39.384 8.166 ( 23.936 -24.456 -1.465) 34.251 8.333 ( 9.175 -29.633 -0.285) 31.022 8.902 ( -32.565 -9.270 0.193) 33.859 9.805 ( -11.841 -29.132 1.393) 31.478 10.554 ( -4.714 -40.895 1.088) 41.180 12.018 ( -7.585 -9.180 -0.387) 11.914 12.572 ( -0.870 -23.888 -0.972) 23.924 13.166 ( 1.677 9.781 1.795) 10.084 15.415 ( 1.238 10.212 -1.448) 10.388 16.350 ( 2.270 12.138 3.220) 12.762 16.966 ( -0.246 8.407 -2.437) 8.757======================= Grid point 239 (54/112) =======================q-point: ( 0.38 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 273Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.501 ( 1.380 1.380 0.649) 2.057 2.762 ( 4.499 4.499 -1.419) 6.519 2.831 ( 1.682 1.682 -0.276) 2.395 3.001 ( 11.448 11.448 2.171) 16.335 3.017 ( 10.096 10.096 0.174) 14.280 3.241 ( 4.026 4.026 -1.464) 5.878 3.437 ( 11.765 11.765 0.494) 16.646 3.592 ( 1.567 1.567 -2.473) 3.321 3.743 ( 11.663 11.663 0.550) 16.503 5.117 ( -11.538 -11.538 1.068) 16.352 6.294 ( 7.904 7.904 -0.147) 11.179 6.312 ( 7.411 7.411 -0.179) 10.482 6.653 ( -21.468 -21.468 0.310) 30.362 7.682 ( -2.823 -2.823 -1.797) 4.379 7.871 ( -4.542 -4.542 -0.270) 6.429 9.287 ( -14.316 -14.316 2.367) 20.384 9.672 ( -19.598 -19.598 1.193) 27.742 10.050 ( -30.783 -30.783 0.117) 43.534 12.152 ( -11.933 -11.933 -0.371) 16.880 12.175 ( -14.405 -14.405 -1.130) 20.403 13.245 ( 5.267 5.267 2.038) 7.722 15.508 ( 5.538 5.538 -1.606) 7.995 16.447 ( 6.786 6.786 2.669) 9.961 17.055 ( 2.290 2.290 -2.367) 4.012======================= Grid point 240 (55/112) =======================q-point: ( 0.46 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 507Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.520 ( 0.512 1.597 0.788) 1.853 2.817 ( 1.208 3.816 -0.514) 4.036 2.857 ( 0.848 1.111 -0.877) 1.650 3.134 ( 2.864 11.486 0.065) 11.838 3.182 ( 4.633 8.637 2.811) 10.196 3.326 ( 3.286 1.042 -0.113) 3.449 3.599 ( 0.371 4.894 -2.671) 5.588 3.639 ( 6.044 17.864 -0.001) 18.858 3.911 ( 4.527 13.409 0.023) 14.153 4.932 ( -5.703 -15.767 1.143) 16.805 6.330 ( 0.685 12.569 -0.335) 12.592 6.354 ( -8.015 -30.755 0.800) 31.792 6.481 ( 4.514 1.522 -0.224) 4.769 7.794 ( 10.408 -9.548 -2.819) 14.403 7.858 ( 1.099 -17.819 -0.822) 17.872 8.861 ( -21.649 1.321 2.111) 21.792 9.409 ( -6.656 -11.163 1.720) 13.110 9.707 ( -5.711 -42.410 1.450) 42.818 11.841 ( -9.403 -7.956 -0.616) 12.333 12.088 ( -2.025 -23.269 -0.844) 23.373 13.313 ( 1.657 5.209 1.972) 5.811 15.583 ( 1.925 6.503 -1.858) 7.032 16.534 ( 2.120 6.540 2.229) 7.227 17.078 ( 0.417 3.344 -2.033) 3.936======================= Grid point 253 (56/112) =======================q-point: ( 0.46 0.46 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 273Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.542 ( 0.575 0.575 1.057) 1.333 2.868 ( 1.273 1.273 -0.541) 1.880 2.875 ( 0.553 0.553 -0.302) 0.838 3.289 ( 3.569 3.569 2.511) 5.638 3.320 ( 4.120 4.120 0.951) 5.904 3.351 ( 1.199 1.199 0.887) 1.913 3.656 ( 1.356 1.356 -2.720) 3.327 3.979 ( 13.387 13.387 -0.256) 18.933 4.104 ( 5.398 5.398 -0.597) 7.657 4.636 ( -11.999 -11.999 1.436) 17.030 5.915 ( -11.875 -11.875 1.093) 16.829 6.499 ( 2.557 2.557 -0.464) 3.646 6.502 ( 2.282 2.282 -0.441) 3.257 7.620 ( -5.934 -5.934 -1.273) 8.488 7.798 ( 6.285 6.285 -4.159) 9.813 8.861 ( -5.996 -5.996 3.264) 9.087 9.003 ( -18.414 -18.414 2.091) 26.125 9.313 ( -1.009 -1.009 1.976) 2.437 11.722 ( -6.635 -6.635 -0.703) 9.410 11.730 ( -7.191 -7.191 -0.627) 10.189 13.379 ( 1.617 1.617 2.043) 3.066 15.670 ( 2.211 2.211 -2.107) 3.770 16.618 ( 2.026 2.026 1.693) 3.328 17.116 ( 0.788 0.788 -1.806) 2.122======================= Grid point 338 (57/112) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.621 ( -0.000 -0.000 12.806) 12.806 0.621 ( 0.000 0.000 12.806) 12.806 1.067 ( -0.000 0.000 21.528) 21.528 1.565 ( 0.000 0.000 -7.269) 7.269 1.565 ( 0.000 0.000 -7.269) 7.269 2.232 ( 0.000 0.000 1.066) 1.066 2.232 ( 0.000 0.000 1.066) 1.066 2.884 ( -0.000 0.000 -14.722) 14.722 3.927 ( 0.000 0.000 5.167) 5.167 3.956 ( -0.000 0.000 0.234) 0.234 3.956 ( 0.000 0.000 0.234) 0.234 7.128 ( 0.000 0.000 0.112) 0.112 8.615 ( 0.000 0.000 0.915) 0.915 8.615 ( -0.000 0.000 0.915) 0.915 8.716 ( -0.000 -0.000 -1.127) 1.127 8.716 ( 0.000 0.000 -1.127) 1.127 9.459 ( -0.000 0.000 0.387) 0.387 12.802 ( 0.000 0.000 -0.189) 0.189 13.774 ( -0.000 0.000 -0.401) 0.401 13.774 ( 0.000 0.000 -0.401) 0.401 13.952 ( -0.000 0.000 0.523) 0.523 13.952 ( 0.000 0.000 0.523) 0.523 15.797 ( -0.000 0.000 3.758) 3.758 16.046 ( -0.000 0.000 -0.784) 0.784======================= Grid point 339 (58/112) =======================q-point: ( 0.08 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.816 ( 3.302 0.000 15.690) 16.034 0.878 ( 20.992 0.000 8.817) 22.768 1.159 ( 22.643 0.000 2.830) 22.819 1.619 ( 5.096 0.000 -6.770) 8.474 1.790 ( 18.552 0.000 -1.057) 18.582 2.240 ( 0.757 0.000 0.994) 1.250 2.341 ( 8.084 0.000 2.417) 8.438 2.736 ( -8.047 0.000 -9.763) 12.652 3.715 ( -12.781 0.000 4.507) 13.553 3.961 ( 0.413 0.000 0.201) 0.460 4.173 ( 18.308 0.000 -0.760) 18.323 6.936 ( -15.672 0.000 1.723) 15.767 8.730 ( 11.359 0.000 0.873) 11.393 8.845 ( 12.732 0.000 -1.059) 12.776 8.954 ( 19.776 0.000 0.604) 19.786 9.439 ( -1.113 0.000 0.522) 1.229 9.775 ( 80.653 0.000 -21.352) 83.432 12.767 ( -3.132 0.000 -0.507) 3.173 13.653 ( -14.349 0.000 4.679) 15.092 13.736 ( -3.801 0.000 -0.333) 3.816 13.924 ( -2.769 0.000 0.450) 2.805 14.114 ( 14.835 0.000 7.462) 16.606 15.531 ( -19.520 0.000 -7.629) 20.958 15.993 ( -4.461 0.000 -0.778) 4.529======================= Grid point 340 (59/112) =======================q-point: ( 0.15 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( 9.851 0.000 6.285) 11.685 1.315 ( 21.148 0.000 5.382) 21.822 1.749 ( 7.609 0.000 -5.534) 9.409 1.749 ( 29.874 0.000 -3.015) 30.026 2.196 ( 19.965 0.000 3.664) 20.299 2.260 ( 1.190 0.000 0.787) 1.426 2.454 ( 3.952 0.000 -0.151) 3.955 2.724 ( 6.271 0.000 -4.207) 7.552 3.514 ( -7.078 0.000 1.865) 7.320 3.972 ( 0.648 0.000 0.124) 0.659 4.624 ( 25.899 0.000 -1.698) 25.954 6.593 ( -17.632 0.000 2.139) 17.761 9.054 ( 20.658 0.000 0.760) 20.672 9.172 ( -4.386 0.000 3.709) 5.744 9.208 ( 23.191 0.000 -0.874) 23.208 9.601 ( 21.171 0.000 0.365) 21.174 11.054 ( 45.791 0.000 -15.700) 48.407 12.698 ( -3.471 0.000 -0.468) 3.502 13.186 ( -29.893 0.000 11.907) 32.177 13.622 ( -7.684 0.000 -0.137) 7.685 13.843 ( -5.381 0.000 0.236) 5.386 14.419 ( 13.579 0.000 16.321) 21.231 15.299 ( -2.769 0.000 -23.439) 23.602 15.872 ( -7.564 0.000 -3.935) 8.526======================= Grid point 341 (60/112) =======================q-point: ( 0.23 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( 19.121 0.000 1.333) 19.167 1.687 ( 15.951 0.000 3.458) 16.322 1.900 ( 7.325 0.000 -3.986) 8.339 2.217 ( 14.126 0.000 -3.313) 14.509 2.284 ( 1.142 0.000 0.465) 1.233 2.468 ( 9.149 0.000 2.301) 9.434 2.612 ( 9.539 0.000 -2.509) 9.864 2.922 ( 13.278 0.000 1.720) 13.389 3.463 ( 3.120 0.000 -0.692) 3.196 3.985 ( 0.637 0.000 0.043) 0.638 5.167 ( 27.743 0.000 -1.462) 27.782 6.263 ( -14.927 0.000 1.876) 15.045 8.935 ( -17.355 0.000 3.957) 17.800 9.526 ( 26.008 0.000 0.605) 26.015 9.742 ( 29.820 0.000 -0.624) 29.826 10.057 ( 21.843 0.000 0.991) 21.865 11.688 ( 20.394 0.000 -4.693) 20.927 12.500 ( -23.695 0.000 9.652) 25.585 12.761 ( -2.055 0.000 -4.759) 5.184 13.430 ( -11.666 0.000 0.149) 11.666 13.713 ( -7.623 0.000 -0.084) 7.623 14.650 ( 10.412 0.000 13.923) 17.385 15.285 ( -2.430 0.000 -11.377) 11.634 15.709 ( -8.057 0.000 -9.896) 12.761======================= Grid point 342 (61/112) =======================q-point: ( 0.31 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 22.241 0.000 0.029) 22.241 1.949 ( 10.442 0.000 1.891) 10.612 2.033 ( 5.873 0.000 -2.171) 6.262 2.303 ( 0.660 0.000 0.084) 0.665 2.340 ( 1.690 0.000 -0.479) 1.757 2.630 ( 4.931 0.000 -3.921) 6.300 2.720 ( 2.749 0.000 0.520) 2.798 3.181 ( 10.291 0.000 4.732) 11.327 3.653 ( 14.475 0.000 -4.031) 15.026 3.996 ( 0.458 0.000 -0.009) 0.458 5.694 ( 24.431 0.000 -0.914) 24.448 6.021 ( -8.950 0.000 1.088) 9.016 8.520 ( -23.273 0.000 1.580) 23.326 10.054 ( 26.123 0.000 0.452) 26.127 10.366 ( 32.158 0.000 -0.364) 32.160 10.438 ( 16.333 0.000 0.529) 16.342 11.921 ( 1.909 0.000 2.979) 3.538 12.069 ( -14.058 0.000 0.765) 14.079 12.869 ( 9.813 0.000 -4.507) 10.798 13.158 ( -15.600 0.000 0.452) 15.607 13.545 ( -8.996 0.000 -0.438) 9.007 14.843 ( 8.773 0.000 11.145) 14.183 15.139 ( -11.603 0.000 -0.818) 11.632 15.574 ( -5.753 0.000 -11.411) 12.779======================= Grid point 343 (62/112) =======================q-point: ( 0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( 21.066 0.000 -0.243) 21.068 2.106 ( 5.373 0.000 0.037) 5.373 2.134 ( 4.480 0.000 -0.001) 4.480 2.309 ( -0.086 0.000 -0.231) 0.246 2.353 ( 0.328 0.000 -0.736) 0.806 2.661 ( -0.349 0.000 -1.654) 1.690 2.762 ( 1.045 0.000 -0.440) 1.134 3.289 ( 0.657 0.000 5.565) 5.604 3.945 ( 12.967 0.000 -6.607) 14.553 4.003 ( 0.245 0.000 -0.029) 0.247 5.911 ( -2.492 0.000 0.409) 2.526 6.110 ( 16.704 0.000 -0.429) 16.710 8.069 ( -20.346 0.000 -2.724) 20.528 10.526 ( 20.252 0.000 0.345) 20.255 10.707 ( 10.633 0.000 0.233) 10.636 10.993 ( 30.067 0.000 -0.177) 30.068 11.733 ( -10.484 0.000 0.670) 10.505 12.041 ( 1.625 0.000 0.881) 1.849 12.814 ( -18.629 0.000 0.721) 18.643 13.091 ( 11.245 0.000 -2.373) 11.493 13.368 ( -8.270 0.000 -0.749) 8.304 14.879 ( -13.131 0.000 -0.082) 13.132 14.988 ( 5.544 0.000 10.604) 11.966 15.470 ( -4.571 0.000 -7.860) 9.093======================= Grid point 344 (63/112) =======================q-point: ( 0.46 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.169 ( 1.397 0.000 0.338) 1.438 2.207 ( 2.282 0.000 -0.300) 2.302 2.301 ( -0.510 0.000 -0.218) 0.555 2.336 ( 1.648 0.000 0.699) 1.790 2.436 ( 10.660 0.000 -3.828) 11.327 2.660 ( 1.273 0.000 0.245) 1.296 2.741 ( -3.496 0.000 1.429) 3.776 3.248 ( -2.820 0.000 4.470) 5.285 4.006 ( 0.073 0.000 -0.031) 0.080 4.127 ( 4.824 0.000 -7.720) 9.103 5.894 ( 0.017 0.000 0.075) 0.077 6.338 ( 5.934 0.000 -0.156) 5.936 7.773 ( -8.100 0.000 -5.869) 10.002 10.816 ( 7.930 0.000 0.307) 7.936 10.855 ( 3.984 0.000 0.527) 4.018 11.505 ( 18.202 0.000 -0.225) 18.203 11.589 ( -3.773 0.000 -1.807) 4.184 12.062 ( 0.514 0.000 2.151) 2.211 12.459 ( -14.134 0.000 1.024) 14.171 13.242 ( -3.644 0.000 -0.944) 3.764 13.269 ( 5.381 0.000 -0.807) 5.441 14.672 ( -6.203 0.000 -0.811) 6.256 15.059 ( 1.644 0.000 10.400) 10.529 15.405 ( -1.710 0.000 -5.637) 5.891======================= Grid point 352 (64/112) =======================q-point: ( 0.08 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.840 ( 9.448 9.448 9.401) 16.337 0.840 ( 0.110 0.110 11.009) 11.010 1.507 ( 25.249 25.249 0.413) 35.709 1.701 ( 6.413 6.413 -7.482) 11.757 1.919 ( 12.659 12.659 1.399) 17.957 2.280 ( 2.526 2.526 1.165) 3.757 2.393 ( 4.417 4.417 2.497) 6.726 2.694 ( -1.312 -1.312 -8.751) 8.946 3.583 ( -9.501 -9.501 3.458) 13.874 4.146 ( 9.150 9.150 0.300) 12.944 4.205 ( 9.770 9.770 -1.103) 13.861 6.825 ( -10.629 -10.629 2.000) 15.164 8.605 ( -1.034 -1.034 1.395) 2.021 8.648 ( -3.287 -3.287 -0.524) 4.679 9.404 ( -2.997 -2.997 0.806) 4.315 9.406 ( 27.327 27.327 0.950) 38.658 10.538 ( 53.123 53.123 -20.852) 77.967 12.716 ( -4.603 -4.603 -0.870) 6.568 13.549 ( -14.502 -14.502 10.083) 22.854 13.628 ( -7.397 -7.397 -0.125) 10.462 13.804 ( -7.154 -7.154 0.492) 10.129 14.335 ( 15.401 15.401 13.674) 25.717 15.448 ( -4.720 -4.720 -19.119) 20.251 15.962 ( -2.696 -2.696 -2.346) 4.477======================= Grid point 353 (65/112) =======================q-point: ( 0.15 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.938 ( 11.129 4.702 4.482) 12.886 1.199 ( 22.060 -3.975 5.728) 23.135 1.842 ( 7.638 8.332 -6.478) 13.028 2.002 ( 22.412 18.016 -0.552) 28.761 2.233 ( 16.459 3.842 3.529) 17.266 2.328 ( 2.694 5.757 0.905) 6.420 2.462 ( 3.629 0.801 -1.554) 4.028 2.763 ( 7.420 4.438 -4.079) 9.560 3.410 ( -7.061 -7.724 1.549) 10.579 4.195 ( 1.799 19.254 0.009) 19.338 4.630 ( 25.853 0.814 -1.215) 25.894 6.550 ( -15.879 -4.597 2.196) 16.676 8.714 ( 10.071 -23.064 0.685) 25.176 8.785 ( 15.750 -18.297 1.227) 24.173 9.294 ( -7.132 -2.260 1.237) 7.583 9.958 ( 26.347 24.233 1.645) 35.835 11.433 ( 34.509 29.463 -11.415) 46.789 12.611 ( -5.413 -8.366 -1.082) 10.023 13.092 ( -27.227 -9.402 11.581) 31.045 13.470 ( -9.380 -13.143 0.558) 16.157 13.667 ( -7.048 -12.744 0.347) 14.568 14.619 ( 12.646 15.181 17.031) 26.085 15.422 ( 0.434 8.166 -19.751) 21.377 15.905 ( -2.505 4.736 -9.785) 11.156======================= Grid point 354 (66/112) =======================q-point: ( 0.23 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( 19.175 5.319 0.980) 19.924 1.622 ( 19.227 -3.729 3.254) 19.854 1.994 ( 7.390 8.516 -4.734) 12.229 2.299 ( 6.382 6.654 1.358) 9.320 2.368 ( 1.470 5.717 0.686) 5.943 2.514 ( 12.432 4.942 1.002) 13.416 2.625 ( 10.143 1.997 -3.574) 10.938 2.946 ( 10.776 2.742 0.413) 11.127 3.337 ( 0.765 -8.640 -0.938) 8.724 4.244 ( 3.240 21.601 -0.073) 21.843 5.172 ( 27.727 0.741 -1.096) 27.758 6.236 ( -14.815 -2.830 1.856) 15.196 8.839 ( -6.326 -13.328 3.702) 15.211 9.191 ( 23.078 -27.734 1.011) 36.094 9.252 ( 11.037 -24.919 -0.739) 27.263 10.427 ( 20.597 16.681 1.212) 26.532 11.914 ( 14.244 17.849 -2.417) 22.964 12.457 ( -15.203 -5.276 7.067) 17.576 12.678 ( -6.055 -6.203 -4.551) 9.791 13.248 ( -12.926 -16.021 0.646) 20.595 13.515 ( -8.106 -15.013 0.199) 17.063 14.852 ( 11.165 16.929 12.582) 23.865 15.365 ( -7.079 2.909 -4.195) 8.727 15.874 ( -1.096 16.968 -15.428) 22.960======================= Grid point 355 (67/112) =======================q-point: ( 0.31 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( 22.039 4.953 0.033) 22.589 1.942 ( 12.811 -0.114 1.677) 12.921 2.129 ( 6.030 8.631 -3.042) 10.960 2.359 ( 1.088 3.065 0.536) 3.296 2.381 ( 0.179 6.476 1.009) 6.556 2.710 ( 6.668 5.003 -1.731) 8.514 2.738 ( 1.674 3.973 -1.650) 4.616 3.160 ( 9.084 -1.917 4.078) 10.140 3.450 ( 9.091 -11.720 -3.753) 15.300 4.327 ( 5.123 24.404 -0.650) 24.945 5.699 ( 24.389 0.617 -0.701) 24.407 5.990 ( -9.319 -3.110 1.067) 9.882 8.514 ( -21.411 -0.862 1.639) 21.491 9.610 ( 21.813 -44.543 0.094) 49.597 9.704 ( 25.707 -30.894 0.517) 40.194 10.781 ( 15.153 3.896 -0.056) 15.646 12.046 ( 0.734 8.552 2.017) 8.817 12.148 ( -11.172 6.274 2.100) 12.984 12.733 ( 4.987 -11.385 -4.903) 13.362 12.959 ( -15.919 -17.479 0.678) 23.651 13.363 ( -6.085 -12.929 -0.122) 14.290 15.061 ( 9.546 18.763 10.041) 23.324 15.163 ( -12.191 1.100 0.100) 12.241 15.835 ( -3.051 22.673 -11.384) 25.553======================= Grid point 356 (68/112) =======================q-point: ( 0.38 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( 20.474 4.562 0.009) 20.976 2.137 ( 6.994 2.004 0.330) 7.283 2.233 ( 4.662 9.183 -1.639) 10.428 2.364 ( 0.060 1.060 -0.687) 1.265 2.381 ( -0.328 8.284 0.835) 8.333 2.739 ( -0.605 6.101 0.206) 6.134 2.794 ( 2.037 4.206 -2.051) 5.103 3.261 ( 0.739 -2.668 4.979) 5.697 3.620 ( 6.819 -14.377 -4.518) 16.541 4.439 ( 5.675 25.416 -1.897) 26.111 5.872 ( -2.843 -3.895 0.412) 4.840 6.114 ( 16.677 0.505 -0.313) 16.688 8.089 ( -19.431 1.797 -2.441) 19.666 10.019 ( 17.968 -46.622 0.380) 49.966 10.183 ( 21.178 -30.812 0.489) 37.391 11.039 ( 10.770 -14.496 -1.017) 18.088 11.969 ( -3.044 20.517 1.550) 20.799 12.093 ( 1.396 -0.999 0.388) 1.760 12.616 ( -17.272 -16.354 1.042) 23.809 12.737 ( -6.267 -26.608 -1.818) 27.396 13.333 ( 3.245 -3.745 -0.881) 5.033 14.917 ( -11.577 3.609 -0.124) 12.127 15.220 ( 6.199 19.965 9.555) 22.986 15.763 ( -3.675 24.682 -7.410) 26.031======================= Grid point 357 (69/112) =======================q-point: ( 0.46 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.226 ( 2.059 2.535 -0.737) 3.348 2.300 ( 3.273 9.947 -0.114) 10.472 2.348 ( 0.460 2.876 0.270) 2.925 2.356 ( -1.349 5.799 0.076) 5.954 2.484 ( 11.676 4.930 -3.130) 13.055 2.733 ( 0.421 5.825 3.031) 6.580 2.789 ( -2.642 5.725 -1.157) 6.410 3.221 ( -2.866 -2.627 3.914) 5.517 3.708 ( 2.138 -14.600 -4.241) 15.353 4.527 ( 2.545 24.678 -2.964) 24.985 5.850 ( -0.084 -4.362 0.138) 4.365 6.342 ( 5.925 0.447 -0.082) 5.942 7.806 ( -7.785 2.994 -5.408) 9.941 10.277 ( 6.988 -42.218 0.235) 42.793 10.494 ( 8.697 -28.856 0.492) 30.142 11.196 ( 4.401 -31.796 -1.326) 32.126 11.997 ( 5.334 24.775 0.412) 25.346 12.144 ( 2.827 3.355 1.497) 4.635 12.291 ( -13.618 -12.021 0.902) 18.187 12.576 ( -6.878 -42.878 -0.761) 43.433 13.418 ( 3.243 -1.372 -0.682) 3.587 14.742 ( -5.063 6.812 -0.787) 8.524 15.302 ( 2.023 20.718 9.619) 22.931 15.708 ( -1.542 25.458 -5.643) 26.122======================= Grid point 366 (70/112) =======================q-point: ( 0.15 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( 12.561 12.561 1.779) 17.853 1.288 ( 12.702 12.702 5.937) 18.919 2.026 ( 9.143 9.143 -7.513) 14.955 2.311 ( 8.883 8.883 2.772) 12.865 2.359 ( 9.958 9.958 2.697) 14.338 2.449 ( 6.205 6.205 1.362) 8.881 2.515 ( 6.415 6.415 -1.983) 9.287 2.899 ( 8.155 8.155 -5.274) 12.681 3.265 ( -6.185 -6.185 0.304) 8.752 4.636 ( 14.729 14.729 0.348) 20.833 4.689 ( 14.419 14.419 -0.980) 20.415 6.398 ( -10.694 -10.694 2.186) 15.281 8.383 ( -9.024 -9.024 0.579) 12.775 8.558 ( -2.906 -2.906 1.921) 4.537 9.189 ( -8.209 -8.209 1.120) 11.663 10.372 ( 15.991 15.991 2.788) 22.786 11.986 ( 23.461 23.461 -4.106) 33.432 12.395 ( -12.183 -12.183 -2.034) 17.349 12.845 ( -13.460 -13.460 7.076) 20.309 13.178 ( -15.333 -15.333 0.350) 21.687 13.430 ( -10.775 -10.775 0.758) 15.257 14.929 ( 15.417 15.417 13.737) 25.769 15.473 ( -3.058 -3.058 -4.854) 6.501 16.087 ( 11.284 11.284 -19.289) 25.035======================= Grid point 367 (71/112) =======================q-point: ( 0.23 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( 18.459 12.055 0.521) 22.053 1.629 ( 19.264 5.422 3.891) 20.387 2.187 ( 7.028 9.832 -6.056) 13.518 2.384 ( 1.209 1.750 0.750) 2.255 2.536 ( 5.474 10.203 2.901) 11.937 2.587 ( 8.863 3.477 0.987) 9.571 2.730 ( 12.046 7.050 1.034) 13.996 3.031 ( 4.005 4.193 -2.845) 6.459 3.205 ( 1.455 -2.968 -3.731) 4.985 4.741 ( 5.158 27.090 -0.078) 27.577 5.207 ( 27.411 2.960 -0.400) 27.573 6.146 ( -13.624 -6.365 1.758) 15.140 8.356 ( 5.218 -27.562 1.316) 28.082 8.661 ( 12.135 -22.571 1.671) 25.681 8.962 ( -14.225 -9.490 0.622) 17.112 10.581 ( 5.471 -0.808 2.303) 5.991 12.104 ( -12.114 -11.824 -2.031) 17.049 12.362 ( 7.944 8.247 4.802) 12.417 12.651 ( -4.209 3.450 -3.799) 6.637 12.868 ( -15.311 -20.924 0.725) 25.938 13.235 ( -8.509 -12.582 0.758) 15.208 15.223 ( 13.931 18.919 9.838) 25.471 15.354 ( -7.968 -2.825 -0.056) 8.454 16.262 ( 5.484 18.519 -15.056) 24.489======================= Grid point 368 (72/112) =======================q-point: ( 0.31 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.824 ( 21.153 10.698 0.129) 23.704 1.986 ( 15.499 5.242 1.757) 16.456 2.310 ( 5.318 8.680 -3.774) 10.856 2.394 ( 0.057 1.529 -0.162) 1.539 2.615 ( 2.963 14.589 3.101) 15.206 2.742 ( 5.989 1.323 1.030) 6.219 2.904 ( 4.625 8.267 -2.111) 9.705 3.113 ( 5.800 -2.714 2.421) 6.846 3.297 ( 5.963 -2.560 -5.737) 8.661 4.855 ( 6.012 27.704 -0.457) 28.352 5.726 ( 23.997 2.260 -0.253) 24.104 5.900 ( -10.209 -5.898 1.015) 11.834 8.439 ( -7.607 -11.322 2.189) 13.814 8.737 ( 3.410 -37.277 -0.831) 37.442 9.010 ( 20.635 -35.403 0.738) 40.984 10.617 ( -1.332 -16.707 0.333) 16.763 11.864 ( -11.145 -25.170 -1.435) 27.564 12.328 ( -10.622 -0.510 2.973) 11.042 12.577 ( -5.469 -6.358 1.332) 8.491 12.665 ( -5.752 0.426 -2.384) 6.241 13.139 ( 0.248 -10.021 -0.379) 10.031 15.180 ( -8.828 1.012 0.201) 8.888 15.476 ( 11.126 21.144 8.155) 25.246 16.308 ( -0.372 22.045 -9.558) 24.030======================= Grid point 369 (73/112) =======================q-point: ( 0.38 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.219 ( 9.728 6.930 0.111) 11.944 2.244 ( 17.923 9.348 0.091) 20.214 2.391 ( 1.283 2.245 -0.783) 2.702 2.404 ( 3.203 7.429 -1.989) 8.331 2.656 ( 1.275 16.687 1.770) 16.829 2.827 ( 2.788 4.291 1.694) 5.390 2.959 ( 1.786 9.933 -2.780) 10.469 3.200 ( 1.153 -2.731 3.309) 4.443 3.406 ( 4.754 -6.803 -4.933) 9.655 4.969 ( 5.033 27.198 -0.988) 27.678 5.759 ( -3.956 -7.340 0.456) 8.351 6.134 ( 16.424 1.644 -0.060) 16.506 8.118 ( -17.228 0.056 -1.742) 17.316 9.034 ( 19.551 -50.522 0.335) 54.174 9.448 ( 21.844 -40.127 0.588) 45.691 10.532 ( -7.284 -31.879 -0.912) 32.713 11.668 ( -8.588 -37.736 -0.685) 38.706 12.054 ( -13.562 -20.454 0.898) 24.558 12.454 ( -11.157 -2.639 0.100) 11.465 12.556 ( -0.769 15.840 1.598) 15.938 13.210 ( 4.821 -8.926 -0.959) 10.190 15.021 ( -6.693 6.788 -0.357) 9.539 15.658 ( 6.996 22.008 7.666) 24.333 16.274 ( -2.328 24.076 -6.308) 24.998======================= Grid point 370 (74/112) =======================q-point: ( 0.46 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.325 ( 2.393 7.723 -1.271) 8.185 2.382 ( 0.255 2.190 -0.012) 2.205 2.442 ( 1.451 6.804 -0.515) 6.976 2.585 ( 7.473 9.131 -2.947) 12.162 2.703 ( 6.148 18.329 1.605) 19.400 2.855 ( -0.322 7.459 3.058) 8.068 2.970 ( -1.067 10.643 -1.063) 10.750 3.158 ( -3.374 -2.749 1.813) 4.715 3.476 ( 1.940 -8.731 -4.351) 9.946 5.042 ( 2.007 26.428 -1.367) 26.540 5.722 ( -0.453 -8.436 0.300) 8.453 6.359 ( 5.835 1.309 0.082) 5.981 7.863 ( -7.056 1.254 -4.051) 8.232 9.389 ( 12.789 -44.630 0.164) 46.427 9.798 ( 10.792 -38.774 0.487) 40.250 10.355 ( -8.013 -49.010 -0.845) 49.668 11.531 ( -4.348 -50.642 -0.044) 50.828 11.861 ( -5.103 -22.980 0.590) 23.547 12.259 ( -6.059 -1.032 0.763) 6.194 12.559 ( 0.295 22.513 1.016) 22.538 13.283 ( 2.034 -11.350 -0.763) 11.556 14.928 ( -2.462 11.295 -0.817) 11.589 15.751 ( 2.334 22.305 7.677) 23.704 16.236 ( -1.138 25.043 -4.983) 25.559======================= Grid point 380 (75/112) =======================q-point: ( 0.23 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 16.994 16.994 0.331) 24.035 1.838 ( 14.722 14.722 3.828) 21.170 2.358 ( 7.011 7.011 -6.454) 11.831 2.407 ( 0.859 0.859 -0.111) 1.220 2.627 ( 4.193 4.193 1.020) 6.017 2.792 ( 10.959 10.959 1.270) 15.550 2.868 ( 7.579 7.579 6.332) 12.449 3.037 ( -1.218 -1.218 -0.496) 1.793 3.259 ( 5.385 5.385 -9.206) 11.947 5.262 ( 16.103 16.103 0.282) 22.776 5.315 ( 16.155 16.155 -0.364) 22.849 5.978 ( -10.401 -10.401 1.457) 14.781 7.934 ( -13.032 -13.032 0.596) 18.440 8.363 ( -6.785 -6.785 1.493) 9.710 8.732 ( -14.658 -14.658 0.673) 20.740 10.462 ( -9.279 -9.279 1.992) 13.273 11.712 ( -22.065 -22.065 -1.764) 31.254 12.398 ( -23.892 -23.892 0.381) 33.790 12.586 ( 9.663 9.663 4.566) 14.409 12.772 ( 4.771 4.771 -4.146) 7.919 13.006 ( -10.204 -10.204 0.895) 14.458 15.281 ( -3.801 -3.801 0.256) 5.382 15.580 ( 16.309 16.309 7.769) 24.337 16.546 ( 9.691 9.691 -10.814) 17.458======================= Grid point 381 (76/112) =======================q-point: ( 0.31 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.085 ( 19.396 15.223 0.428) 24.660 2.159 ( 15.937 11.825 2.542) 20.007 2.419 ( 0.597 1.799 -0.173) 1.904 2.475 ( 4.812 7.016 -4.783) 9.760 2.727 ( 5.183 0.344 0.734) 5.246 2.945 ( 5.498 13.593 3.881) 15.168 3.020 ( 4.567 3.449 -1.833) 6.010 3.086 ( 7.909 2.637 3.199) 8.929 3.341 ( 2.596 5.103 -7.742) 9.629 5.400 ( 5.683 26.339 -0.152) 26.946 5.757 ( -10.432 -8.306 0.974) 13.370 5.793 ( 22.567 4.303 0.004) 22.974 7.856 ( 4.722 -32.301 0.284) 32.646 8.367 ( -8.339 -16.244 1.099) 18.292 8.406 ( -1.939 -20.860 0.028) 20.950 10.248 ( -12.542 -18.019 0.628) 21.964 11.280 ( -21.004 -30.626 -0.991) 37.149 11.909 ( -23.915 -29.114 0.364) 37.679 12.652 ( -9.568 1.269 -0.439) 9.662 12.794 ( 4.076 10.041 2.761) 11.183 12.931 ( 1.983 -10.911 -1.262) 11.162 15.215 ( -2.631 2.556 -0.135) 3.671 15.863 ( 11.968 17.221 6.393) 21.924 16.661 ( 2.482 13.162 -7.184) 15.198======================= Grid point 382 (77/112) =======================q-point: ( 0.38 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( 8.984 11.071 0.837) 14.282 2.425 ( 2.339 4.278 0.477) 4.899 2.479 ( 15.773 11.730 -0.415) 19.661 2.559 ( 4.533 8.072 -2.613) 9.620 2.817 ( 3.910 0.513 0.578) 3.985 3.040 ( 3.864 12.952 3.315) 13.916 3.115 ( 5.477 3.736 -2.368) 7.040 3.219 ( 3.481 8.531 1.621) 9.355 3.368 ( 0.277 2.895 -5.139) 5.905 5.498 ( 3.973 25.173 -0.333) 25.487 5.586 ( -5.829 -9.601 0.542) 11.245 6.182 ( 15.608 3.075 0.120) 15.909 7.939 ( -10.931 -31.402 -1.069) 33.268 8.176 ( 13.835 -22.000 0.288) 25.991 8.679 ( 18.277 -35.206 0.473) 39.671 9.917 ( -21.825 -26.801 -0.480) 34.567 10.882 ( -18.850 -38.430 -0.075) 42.804 11.503 ( -15.546 -32.592 0.576) 36.114 12.389 ( -13.608 -4.738 -0.124) 14.409 12.889 ( 4.019 13.545 2.112) 14.286 12.968 ( 1.265 -14.287 -1.103) 14.385 15.178 ( -1.119 8.567 -0.718) 8.669 16.053 ( 7.109 17.185 5.819) 19.486 16.672 ( -0.643 15.622 -4.995) 16.414======================= Grid point 383 (78/112) =======================q-point: ( 0.46 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.432 ( 0.173 2.755 -0.060) 2.761 2.533 ( 2.914 12.754 -0.763) 13.105 2.586 ( 0.974 7.478 -0.536) 7.560 2.765 ( 6.009 8.650 -2.209) 10.762 2.928 ( 9.377 3.461 2.357) 10.269 3.074 ( -1.714 9.085 2.833) 9.670 3.207 ( -1.330 17.835 0.137) 17.885 3.214 ( 1.398 8.606 -2.173) 8.986 3.363 ( -0.366 -2.130 -3.351) 3.988 5.515 ( -1.148 -9.416 0.672) 9.509 5.559 ( 1.387 22.170 -0.656) 22.223 6.395 ( 5.529 2.249 0.190) 5.972 7.720 ( -6.570 -20.726 -1.728) 21.811 8.631 ( 25.180 -27.961 -0.187) 37.629 9.018 ( 12.001 -38.242 0.196) 40.081 9.402 ( -26.533 -42.046 -0.994) 49.728 10.567 ( -10.510 -44.143 0.738) 45.383 11.309 ( -4.465 -32.477 0.800) 32.792 12.180 ( -6.024 -6.805 0.101) 9.089 12.944 ( 1.419 15.368 1.478) 15.504 12.982 ( 0.250 -18.054 -0.929) 18.080 15.166 ( -0.245 11.991 -1.061) 12.041 16.146 ( 2.326 16.970 5.668) 18.042 16.656 ( -0.593 16.861 -4.053) 17.352======================= Grid point 394 (79/112) =======================q-point: ( 0.31 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.415 ( 16.883 16.883 0.819) 23.890 2.424 ( 13.478 13.478 3.088) 19.309 2.451 ( 2.114 2.114 0.022) 2.989 2.606 ( 6.593 6.593 -5.536) 10.843 2.753 ( 2.458 2.458 0.611) 3.529 3.038 ( 2.773 2.773 -2.498) 4.650 3.149 ( 6.086 6.086 5.205) 10.058 3.273 ( 12.562 12.562 1.205) 17.807 3.432 ( 3.234 3.234 -6.478) 7.930 5.567 ( -10.335 -10.335 0.907) 14.644 5.865 ( 13.501 13.501 0.170) 19.094 5.905 ( 12.830 12.830 -0.164) 18.145 7.379 ( -15.062 -15.062 -0.349) 21.304 8.074 ( -7.745 -7.745 0.541) 10.967 8.083 ( -15.158 -15.158 0.084) 21.437 9.928 ( -15.315 -15.315 1.052) 21.684 10.695 ( -27.704 -27.704 -0.194) 39.181 11.298 ( -30.668 -30.668 -0.056) 43.371 12.602 ( -10.572 -10.572 0.332) 14.954 12.658 ( -8.663 -8.663 -1.685) 12.367 13.008 ( 8.440 8.440 2.325) 12.160 15.278 ( 3.542 3.542 -0.677) 5.055 16.152 ( 11.829 11.829 5.067) 17.479 16.840 ( 5.437 5.437 -5.135) 9.246======================= Grid point 395 (80/112) =======================q-point: ( 0.38 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.474 ( 1.006 2.305 0.310) 2.534 2.630 ( 6.756 7.136 0.379) 9.835 2.727 ( 8.139 13.263 -0.139) 15.562 2.777 ( 12.352 12.940 -1.615) 17.962 2.819 ( 5.689 2.630 0.897) 6.332 3.140 ( 7.348 1.857 -2.383) 7.945 3.254 ( 4.110 9.511 3.122) 10.821 3.462 ( -0.158 4.928 -4.375) 6.592 3.493 ( 8.727 14.805 0.855) 17.207 5.371 ( -8.533 -11.464 0.841) 14.315 5.962 ( 3.028 20.503 -0.160) 20.726 6.248 ( 14.268 3.273 0.071) 14.639 7.199 ( -6.363 -33.590 -0.241) 34.188 7.871 ( -0.195 -15.419 -0.664) 15.435 8.112 ( 8.960 -20.675 0.142) 22.533 9.538 ( -26.392 -11.782 0.866) 28.916 10.191 ( -22.624 -30.325 0.608) 37.839 10.786 ( -18.399 -38.680 0.275) 42.834 12.272 ( -17.023 -6.559 -0.411) 18.247 12.586 ( -2.428 -21.484 -0.942) 21.642 13.140 ( 4.797 9.669 2.046) 10.986 15.344 ( 2.900 7.763 -1.190) 8.372 16.335 ( 6.660 11.244 4.271) 13.748 16.901 ( 1.257 7.775 -3.781) 8.736======================= Grid point 396 (81/112) =======================q-point: ( 0.46 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.488 ( 0.362 2.752 0.333) 2.795 2.713 ( 1.987 5.785 -0.216) 6.121 2.805 ( 1.471 7.855 0.587) 8.013 2.866 ( 1.798 7.721 -2.482) 8.308 3.048 ( 8.322 9.853 2.375) 13.114 3.288 ( 5.355 2.099 -1.269) 5.890 3.307 ( 1.976 13.556 0.719) 13.718 3.431 ( -2.618 6.644 -3.054) 7.767 3.599 ( 2.094 18.387 0.534) 18.514 5.254 ( -2.898 -14.358 0.839) 14.672 6.002 ( 1.036 19.646 -0.274) 19.675 6.442 ( 4.979 2.212 0.087) 5.449 7.073 ( -4.565 -38.050 0.097) 38.323 8.137 ( 23.063 -26.014 -1.470) 34.797 8.327 ( 8.772 -30.194 -0.282) 31.443 8.906 ( -32.502 -7.113 0.234) 33.272 9.833 ( -11.252 -28.643 1.329) 30.803 10.576 ( -4.180 -40.573 1.127) 40.804 12.010 ( -7.547 -9.542 -0.375) 12.172 12.552 ( -0.907 -23.856 -0.987) 23.894 13.202 ( 1.529 10.047 1.817) 10.324 15.385 ( 1.091 9.754 -1.488) 9.927 16.422 ( 2.119 10.794 3.927) 11.680 16.910 ( 0.047 9.024 -3.148) 9.557======================= Grid point 408 (82/112) =======================q-point: ( 0.38 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.514 ( 1.623 1.623 0.632) 2.381 2.733 ( 4.304 4.304 -1.474) 6.263 2.825 ( 1.598 1.598 -0.241) 2.273 3.022 ( 11.225 11.225 0.301) 15.877 3.053 ( 12.305 12.305 3.141) 17.683 3.205 ( 5.225 5.225 -2.206) 7.712 3.451 ( 9.727 9.727 1.113) 13.801 3.535 ( 2.521 2.521 -3.326) 4.876 3.753 ( 11.022 11.022 0.461) 15.595 5.139 ( -11.378 -11.378 1.052) 16.126 6.292 ( 7.698 7.698 -0.123) 10.888 6.308 ( 7.315 7.315 -0.177) 10.346 6.659 ( -20.822 -20.822 0.283) 29.448 7.647 ( -3.929 -3.929 -1.649) 5.796 7.864 ( -5.114 -5.114 -0.404) 7.243 9.335 ( -13.604 -13.604 2.383) 19.386 9.696 ( -19.012 -19.012 1.227) 26.915 10.052 ( -30.293 -30.293 0.079) 42.841 12.144 ( -12.205 -12.205 -0.376) 17.265 12.152 ( -14.155 -14.155 -1.123) 20.050 13.286 ( 5.213 5.213 2.058) 7.654 15.475 ( 5.160 5.160 -1.646) 7.480 16.505 ( 6.057 6.057 3.197) 9.143 17.002 ( 2.865 2.865 -2.908) 4.987======================= Grid point 409 (83/112) =======================q-point: ( 0.46 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 508Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.536 ( 0.578 1.985 0.785) 2.212 2.804 ( 2.531 3.461 -0.720) 4.348 2.842 ( -0.046 1.572 -0.628) 1.693 3.140 ( 2.182 13.363 0.421) 13.546 3.243 ( 5.274 8.541 3.496) 10.629 3.323 ( 4.485 2.288 -0.239) 5.041 3.538 ( -0.009 4.251 -3.485) 5.497 3.638 ( 5.714 17.743 -0.084) 18.641 3.911 ( 4.235 12.669 -0.052) 13.358 4.955 ( -5.690 -15.472 1.136) 16.524 6.324 ( 0.601 12.450 -0.324) 12.468 6.370 ( -7.724 -30.283 0.809) 31.263 6.476 ( 4.473 1.205 -0.201) 4.637 7.738 ( 9.335 -10.720 -2.748) 14.479 7.840 ( 0.708 -18.440 -0.902) 18.476 8.904 ( -21.654 2.924 2.133) 21.955 9.444 ( -6.321 -10.932 1.696) 12.741 9.737 ( -4.589 -41.971 1.460) 42.246 11.828 ( -9.310 -8.098 -0.631) 12.355 12.070 ( -2.089 -23.074 -0.871) 23.185 13.353 ( 1.628 5.344 2.030) 5.944 15.545 ( 1.783 6.134 -1.922) 6.671 16.583 ( 1.876 5.660 2.664) 6.531 17.033 ( 0.610 3.764 -2.471) 4.544======================= Grid point 422 (84/112) =======================q-point: ( 0.46 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.563 ( 0.712 0.712 1.043) 1.450 2.857 ( 1.764 1.764 -0.544) 2.553 2.869 ( 0.580 0.580 -0.302) 0.874 3.340 ( 4.192 4.192 1.051) 6.022 3.341 ( 3.551 3.551 2.320) 5.532 3.380 ( 2.092 2.092 2.737) 4.030 3.589 ( 1.123 1.123 -4.283) 4.568 3.973 ( 13.042 13.042 -0.400) 18.448 4.091 ( 5.021 5.021 -0.708) 7.136 4.665 ( -11.623 -11.623 1.463) 16.503 5.938 ( -11.724 -11.724 1.125) 16.618 6.490 ( 2.476 2.476 -0.432) 3.528 6.493 ( 2.176 2.176 -0.422) 3.106 7.594 ( -6.180 -6.180 -1.300) 8.835 7.714 ( 4.764 4.764 -4.137) 7.906 8.928 ( -5.800 -5.800 3.286) 8.837 9.049 ( -16.792 -16.792 2.401) 23.868 9.350 ( -0.977 -0.977 1.627) 2.135 11.708 ( -6.500 -6.500 -0.743) 9.222 11.717 ( -7.218 -7.218 -0.662) 10.230 13.422 ( 1.655 1.655 2.125) 3.162 15.627 ( 2.072 2.072 -2.189) 3.657 16.655 ( 1.722 1.722 2.010) 3.158 17.077 ( 0.933 0.933 -2.122) 2.499======================= Grid point 507 (85/112) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( 0.000 0.000 0.000) 0.000 0.753 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.484 ( 0.000 0.000 0.000) 0.000 1.484 ( 0.000 0.000 0.000) 0.000 2.242 ( -0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 3.959 ( -0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 7.129 ( -0.000 0.000 0.000) 0.000 8.626 ( 0.000 -0.000 0.000) 0.000 8.626 ( -0.000 0.000 0.000) 0.000 8.703 ( 0.000 0.000 0.000) 0.000 8.703 ( 0.000 0.000 0.000) 0.000 9.463 ( 0.000 0.000 0.000) 0.000 12.801 ( -0.000 0.000 0.000) 0.000 13.770 ( 0.000 0.000 0.000) 0.000 13.770 ( 0.000 0.000 0.000) 0.000 13.957 ( 0.000 -0.000 0.000) 0.000 13.957 ( -0.000 0.000 0.000) 0.000 15.838 ( 0.000 0.000 0.000) 0.000 16.035 ( 0.000 0.000 0.000) 0.000======================= Grid point 509 (86/112) =======================q-point: ( 0.08 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( 18.778 0.000 0.000) 18.778 1.038 ( -11.706 0.000 0.000) 11.706 1.105 ( 28.795 0.000 -0.000) 28.795 1.543 ( 5.565 0.000 0.000) 5.565 1.797 ( 20.738 0.000 0.000) 20.738 2.250 ( 0.690 0.000 0.000) 0.690 2.397 ( 12.808 0.000 0.000) 12.808 2.598 ( -9.080 0.000 0.000) 9.080 3.757 ( -13.575 0.000 0.000) 13.575 3.963 ( 0.382 0.000 0.000) 0.382 4.168 ( 17.244 0.000 0.000) 17.244 6.952 ( -15.175 0.000 0.000) 15.175 8.740 ( 11.291 0.000 0.000) 11.291 8.833 ( 12.826 0.000 0.000) 12.826 8.960 ( 21.348 0.000 0.000) 21.348 9.445 ( -1.146 0.000 0.000) 1.146 9.596 ( 74.837 0.000 0.000) 74.837 12.762 ( -3.413 0.000 0.000) 3.413 13.687 ( -9.885 0.000 0.000) 9.885 13.733 ( -3.736 0.000 0.000) 3.736 13.929 ( -2.840 0.000 0.000) 2.840 14.181 ( 21.044 0.000 0.000) 21.044 15.471 ( -30.358 0.000 0.000) 30.358 15.986 ( -4.872 0.000 0.000) 4.872======================= Grid point 511 (87/112) =======================q-point: ( 0.15 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( 5.449 0.000 0.000) 5.449 1.378 ( 19.979 0.000 0.000) 19.979 1.685 ( 8.165 0.000 0.000) 8.165 1.710 ( 29.359 0.000 0.000) 29.359 2.234 ( 21.890 0.000 0.000) 21.890 2.268 ( 1.061 0.000 0.000) 1.061 2.478 ( -2.452 0.000 0.000) 2.452 2.660 ( 12.875 0.000 0.000) 12.875 3.533 ( -8.306 0.000 0.000) 8.306 3.973 ( 0.604 0.000 0.000) 0.604 4.608 ( 25.782 0.000 0.000) 25.782 6.614 ( -17.569 0.000 0.000) 17.569 9.062 ( 20.566 0.000 0.000) 20.566 9.198 ( 23.327 0.000 0.000) 23.327 9.209 ( -3.887 0.000 0.000) 3.887 9.605 ( 21.866 0.000 0.000) 21.866 10.911 ( 51.389 0.000 0.000) 51.389 12.691 ( -2.987 0.000 0.000) 2.987 13.292 ( -30.023 0.000 0.000) 30.023 13.621 ( -7.558 0.000 0.000) 7.558 13.845 ( -5.519 0.000 0.000) 5.519 14.680 ( 25.299 0.000 0.000) 25.299 14.967 ( -14.696 0.000 -0.000) 14.696 15.843 ( -9.402 0.000 0.000) 9.402======================= Grid point 513 (88/112) =======================q-point: ( 0.23 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 17.797 0.000 0.000) 17.797 1.733 ( 15.276 0.000 -0.000) 15.276 1.849 ( 8.022 0.000 0.000) 8.022 2.183 ( 15.827 0.000 0.000) 15.827 2.289 ( 0.968 0.000 0.000) 0.968 2.494 ( 3.978 0.000 0.000) 3.978 2.587 ( 11.805 0.000 0.000) 11.805 2.936 ( 15.633 0.000 0.000) 15.633 3.456 ( 1.660 0.000 0.000) 1.660 3.985 ( 0.601 0.000 0.000) 0.601 5.152 ( 27.981 0.000 0.000) 27.981 6.282 ( -15.213 0.000 0.000) 15.213 8.975 ( -17.771 0.000 0.000) 17.771 9.532 ( 25.915 0.000 0.000) 25.915 9.736 ( 29.965 0.000 0.000) 29.965 10.067 ( 21.755 0.000 0.000) 21.755 11.646 ( 24.434 0.000 0.000) 24.434 12.627 ( -32.685 0.000 -0.000) 32.685 12.679 ( 2.784 0.000 0.000) 2.784 13.431 ( -11.508 0.000 0.000) 11.508 13.712 ( -7.802 0.000 0.000) 7.802 14.877 ( 2.790 0.000 0.000) 2.790 15.069 ( 12.121 0.000 -0.000) 12.121 15.625 ( -11.755 0.000 0.000) 11.755======================= Grid point 515 (89/112) =======================q-point: ( 0.31 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 21.925 0.000 0.000) 21.925 1.983 ( 9.936 0.000 -0.000) 9.936 1.996 ( 6.550 0.000 0.000) 6.550 2.304 ( 0.473 0.000 0.000) 0.473 2.334 ( 2.124 0.000 0.000) 2.124 2.594 ( 4.029 0.000 0.000) 4.029 2.726 ( 3.652 0.000 0.000) 3.652 3.227 ( 11.444 0.000 0.000) 11.444 3.611 ( 12.568 0.000 0.000) 12.568 3.996 ( 0.441 0.000 0.000) 0.441 5.685 ( 24.711 0.000 0.000) 24.711 6.032 ( -9.370 0.000 0.000) 9.370 8.536 ( -25.206 0.000 0.000) 25.206 10.059 ( 26.050 0.000 0.000) 26.050 10.362 ( 32.284 0.000 0.000) 32.284 10.443 ( 16.044 0.000 0.000) 16.044 11.953 ( 8.308 0.000 0.000) 8.308 12.078 ( -21.993 0.000 0.000) 21.993 12.821 ( 11.010 0.000 0.000) 11.010 13.163 ( -15.450 0.000 0.000) 15.450 13.541 ( -9.174 0.000 0.000) 9.174 14.991 ( 7.233 0.000 0.000) 7.233 15.117 ( -7.535 0.000 0.000) 7.535 15.437 ( -5.665 0.000 -0.000) 5.665======================= Grid point 517 (90/112) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( 20.819 0.000 0.000) 20.819 2.107 ( 4.554 0.000 0.000) 4.554 2.134 ( 5.415 0.000 0.000) 5.415 2.306 ( -0.193 0.000 0.000) 0.193 2.346 ( -0.090 0.000 0.000) 0.090 2.639 ( 0.976 0.000 0.000) 0.976 2.768 ( 1.112 0.000 0.000) 1.112 3.346 ( 0.450 0.000 0.000) 0.450 3.874 ( 12.048 0.000 0.000) 12.048 4.003 ( 0.241 0.000 0.000) 0.241 5.915 ( -2.781 0.000 0.000) 2.781 6.105 ( 16.904 0.000 0.000) 16.904 8.041 ( -22.463 0.000 0.000) 22.463 10.529 ( 20.215 0.000 0.000) 20.215 10.709 ( 10.665 0.000 0.000) 10.665 10.991 ( 30.123 0.000 0.000) 30.123 11.741 ( -12.466 0.000 0.000) 12.466 12.050 ( 2.704 0.000 0.000) 2.704 12.822 ( -18.495 0.000 0.000) 18.495 13.067 ( 12.312 0.000 0.000) 12.312 13.361 ( -8.407 0.000 0.000) 8.407 14.878 ( -13.392 0.000 0.000) 13.392 15.128 ( 5.878 0.000 0.000) 5.878 15.358 ( -3.442 0.000 -0.000) 3.442======================= Grid point 519 (91/112) =======================q-point: ( 0.46 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.173 ( 1.865 0.000 0.000) 1.865 2.204 ( 1.704 0.000 0.000) 1.704 2.299 ( -0.394 0.000 0.000) 0.394 2.344 ( -0.012 0.000 0.000) 0.012 2.392 ( 10.719 0.000 0.000) 10.719 2.647 ( 0.089 0.000 0.000) 0.089 2.780 ( 0.206 0.000 0.000) 0.206 3.291 ( -3.671 0.000 0.000) 3.671 4.006 ( 0.073 0.000 0.000) 0.073 4.046 ( 4.606 0.000 0.000) 4.606 5.893 ( -0.125 0.000 0.000) 0.125 6.337 ( 6.003 0.000 0.000) 6.003 7.715 ( -8.934 0.000 0.000) 8.934 10.820 ( 7.923 0.000 0.000) 7.923 10.860 ( 4.187 0.000 0.000) 4.187 11.503 ( 18.088 0.000 0.000) 18.088 11.571 ( -4.475 0.000 0.000) 4.475 12.084 ( 0.818 0.000 0.000) 0.818 12.470 ( -13.952 0.000 0.000) 13.952 13.233 ( -3.700 0.000 0.000) 3.700 13.261 ( 5.855 0.000 0.000) 5.855 14.664 ( -6.493 0.000 0.000) 6.493 15.210 ( 2.157 0.000 0.000) 2.157 15.302 ( -1.708 0.000 -0.000) 1.708======================= Grid point 535 (92/112) =======================q-point: ( 0.08 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.942 ( 8.422 8.422 0.000) 11.910 0.955 ( -4.417 -4.417 0.000) 6.247 1.495 ( 25.562 25.562 0.000) 36.151 1.618 ( 6.369 6.369 0.000) 9.006 1.941 ( 13.305 13.305 0.000) 18.816 2.291 ( 2.556 2.556 0.000) 3.614 2.495 ( 9.480 9.480 -0.000) 13.407 2.528 ( -5.164 -5.164 0.000) 7.303 3.616 ( -10.195 -10.195 0.000) 14.418 4.149 ( 9.175 9.175 0.000) 12.975 4.196 ( 9.350 9.350 0.000) 13.222 6.844 ( -10.415 -10.415 0.000) 14.729 8.627 ( -0.183 -0.183 -0.000) 0.259 8.635 ( -3.670 -3.670 0.000) 5.190 9.412 ( -2.836 -2.836 0.000) 4.010 9.416 ( 27.950 27.950 0.000) 39.528 10.355 ( 54.882 54.882 0.000) 77.615 12.708 ( -4.912 -4.912 0.000) 6.946 13.626 ( -7.278 -7.278 0.000) 10.293 13.628 ( -10.713 -10.713 0.000) 15.150 13.809 ( -7.139 -7.139 0.000) 10.096 14.491 ( 24.318 24.318 0.000) 34.390 15.249 ( -17.349 -17.349 0.000) 24.535 15.945 ( -4.050 -4.050 0.000) 5.727======================= Grid point 537 (93/112) =======================q-point: ( 0.15 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.985 ( 8.351 3.001 0.000) 8.873 1.263 ( 20.434 -3.210 0.000) 20.685 1.770 ( 8.486 7.562 0.000) 11.367 1.995 ( 23.004 20.206 0.000) 30.618 2.266 ( 17.242 3.799 0.000) 17.655 2.338 ( 2.829 5.742 0.000) 6.401 2.459 ( -0.964 -1.309 0.000) 1.625 2.712 ( 11.237 5.060 0.000) 12.324 3.426 ( -8.089 -8.049 0.000) 11.411 4.195 ( 1.816 19.148 0.000) 19.234 4.618 ( 25.762 1.201 0.000) 25.790 6.571 ( -15.879 -4.549 0.000) 16.518 8.721 ( 10.734 -23.336 0.000) 25.687 8.798 ( 15.898 -17.740 0.000) 23.821 9.306 ( -7.214 -2.391 0.000) 7.600 9.975 ( 26.447 24.965 0.000) 36.369 11.329 ( 39.373 32.570 0.000) 51.098 12.598 ( -5.138 -8.814 0.000) 10.202 13.197 ( -29.225 -9.762 0.000) 30.813 13.476 ( -9.405 -13.137 0.000) 16.157 13.670 ( -7.140 -12.492 0.000) 14.388 14.992 ( 22.611 23.790 0.000) 32.821 15.003 ( -4.757 4.065 -0.000) 6.257 15.832 ( -6.882 -0.493 0.000) 6.900======================= Grid point 539 (94/112) =======================q-point: ( 0.23 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.261 ( 18.210 5.033 0.000) 18.893 1.661 ( 18.238 -3.713 0.000) 18.612 1.940 ( 8.352 8.065 0.000) 11.610 2.317 ( 6.987 8.209 0.000) 10.780 2.370 ( 1.638 7.832 0.000) 8.001 2.529 ( 8.787 5.501 -0.000) 10.367 2.585 ( 11.805 -0.094 0.000) 11.805 2.948 ( 13.106 1.340 0.000) 13.174 3.328 ( -0.766 -9.023 0.000) 9.056 4.243 ( 3.117 21.556 0.000) 21.780 5.162 ( 27.882 1.072 0.000) 27.903 6.254 ( -15.117 -2.849 0.000) 15.383 8.876 ( -5.634 -14.164 0.000) 15.243 9.205 ( 23.927 -26.902 -0.000) 36.003 9.240 ( 9.385 -25.034 0.000) 26.735 10.440 ( 20.077 17.193 0.000) 26.432 11.892 ( 17.288 19.379 0.000) 25.970 12.553 ( 2.181 -11.809 -0.000) 12.009 12.604 ( -27.170 -1.549 0.000) 27.214 13.254 ( -12.901 -15.827 0.000) 20.419 13.517 ( -8.182 -14.665 0.000) 16.793 15.033 ( 5.995 13.732 0.000) 14.984 15.274 ( 3.505 11.444 0.000) 11.968 15.714 ( -3.240 12.072 0.000) 12.499======================= Grid point 541 (95/112) =======================q-point: ( 0.31 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( 21.835 4.976 0.000) 22.394 1.963 ( 12.001 -0.587 0.000) 12.015 2.094 ( 6.951 8.395 0.000) 10.899 2.364 ( 0.119 1.837 0.000) 1.841 2.392 ( 0.504 9.073 0.000) 9.087 2.681 ( 4.596 8.400 0.000) 9.575 2.735 ( 4.284 0.806 0.000) 4.359 3.202 ( 10.495 -2.259 0.000) 10.736 3.408 ( 7.748 -12.399 0.000) 14.620 4.321 ( 4.653 24.383 0.000) 24.823 5.692 ( 24.606 0.814 0.000) 24.619 6.001 ( -9.733 -3.131 0.000) 10.224 8.531 ( -23.289 -0.777 0.000) 23.302 9.611 ( 22.071 -44.781 0.000) 49.925 9.709 ( 25.718 -30.713 0.000) 40.058 10.780 ( 14.502 4.021 0.000) 15.049 12.061 ( 2.677 4.828 0.000) 5.521 12.179 ( -15.333 10.333 0.000) 18.490 12.679 ( 7.448 -11.721 0.000) 13.887 12.966 ( -15.985 -17.403 0.000) 23.630 13.362 ( -6.414 -12.772 0.000) 14.292 15.162 ( -11.359 1.717 0.000) 11.488 15.186 ( 8.374 17.102 0.000) 19.042 15.698 ( -0.401 23.641 0.000) 23.644======================= Grid point 543 (96/112) =======================q-point: ( 0.38 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.100 ( 20.547 4.712 0.000) 21.081 2.141 ( 6.152 1.519 0.000) 6.336 2.215 ( 5.357 8.728 0.000) 10.241 2.357 ( -0.391 1.027 0.000) 1.099 2.390 ( -0.713 9.239 0.000) 9.267 2.730 ( 1.147 8.400 0.000) 8.478 2.790 ( 1.638 2.049 0.000) 2.623 3.314 ( 0.461 -3.008 0.000) 3.043 3.567 ( 6.930 -14.819 0.000) 16.359 4.421 ( 4.995 25.853 0.000) 26.331 5.876 ( -3.102 -3.883 0.000) 4.970 6.111 ( 16.842 0.613 0.000) 16.853 8.064 ( -21.425 2.071 0.000) 21.525 10.023 ( 17.973 -46.641 0.000) 49.984 10.187 ( 21.174 -30.703 0.000) 37.296 11.028 ( 10.473 -14.608 0.000) 17.975 11.986 ( -4.331 20.762 0.000) 21.209 12.097 ( 2.149 -1.603 0.000) 2.681 12.628 ( -17.523 -16.015 0.000) 23.739 12.718 ( -4.779 -26.070 0.000) 26.504 13.324 ( 3.081 -3.794 0.000) 4.888 14.916 ( -11.940 3.536 0.000) 12.452 15.337 ( 6.324 18.367 0.000) 19.426 15.667 ( -2.393 25.841 -0.000) 25.951======================= Grid point 545 (97/112) =======================q-point: ( 0.46 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.218 ( 1.795 2.115 0.000) 2.774 2.299 ( 3.507 9.462 0.000) 10.091 2.353 ( -1.320 7.250 -0.000) 7.370 2.353 ( -0.042 0.925 0.000) 0.926 2.451 ( 10.319 6.278 0.000) 12.079 2.742 ( 0.224 8.735 0.000) 8.737 2.807 ( 0.258 2.764 0.000) 2.776 3.258 ( -3.784 -3.127 0.000) 4.908 3.661 ( 2.339 -15.075 0.000) 15.256 4.498 ( 2.250 25.666 0.000) 25.765 5.850 ( -0.188 -4.275 0.000) 4.279 6.342 ( 5.984 0.517 0.000) 6.006 7.752 ( -8.584 3.441 0.000) 9.248 10.279 ( 6.906 -42.330 0.000) 42.889 10.498 ( 8.697 -28.758 0.000) 30.044 11.182 ( 4.318 -31.425 0.000) 31.720 12.001 ( 5.189 25.169 0.000) 25.699 12.159 ( 3.233 2.716 0.000) 4.223 12.300 ( -13.675 -12.214 0.000) 18.335 12.568 ( -6.841 -42.420 0.000) 42.968 13.411 ( 3.406 -1.353 0.000) 3.665 14.734 ( -5.288 6.827 0.000) 8.636 15.425 ( 2.282 18.808 0.000) 18.946 15.625 ( -1.346 26.729 -0.000) 26.763======================= Grid point 563 (98/112) =======================q-point: ( 0.15 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 11.619 11.619 0.000) 16.431 1.355 ( 11.978 11.978 0.000) 16.939 1.945 ( 9.315 9.315 0.000) 13.174 2.343 ( 9.022 9.022 0.000) 12.759 2.391 ( 8.648 8.648 -0.000) 12.230 2.461 ( 6.230 6.230 0.000) 8.811 2.489 ( 9.048 9.048 0.000) 12.796 2.842 ( 7.348 7.348 0.000) 10.391 3.268 ( -7.139 -7.139 0.000) 10.096 4.639 ( 14.725 14.725 0.000) 20.824 4.679 ( 14.633 14.633 0.000) 20.694 6.420 ( -10.773 -10.773 0.000) 15.236 8.388 ( -8.889 -8.889 0.000) 12.571 8.578 ( -2.810 -2.810 0.000) 3.975 9.201 ( -8.248 -8.248 0.000) 11.665 10.400 ( 16.280 16.280 0.000) 23.023 11.948 ( 26.880 26.880 0.000) 38.014 12.375 ( -12.364 -12.364 0.000) 17.486 12.912 ( -17.201 -17.201 0.000) 24.325 13.181 ( -15.250 -15.250 0.000) 21.567 13.438 ( -10.672 -10.672 0.000) 15.093 15.138 ( 9.188 9.188 0.000) 12.993 15.361 ( 8.414 8.414 0.000) 11.899 15.888 ( 8.146 8.146 0.000) 11.520======================= Grid point 565 (99/112) =======================q-point: ( 0.23 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 18.089 11.880 0.000) 21.641 1.673 ( 17.992 5.741 0.000) 18.886 2.122 ( 8.239 9.275 0.000) 12.406 2.391 ( 0.422 1.006 0.000) 1.091 2.566 ( 6.094 8.859 0.000) 10.753 2.596 ( 8.846 3.637 0.000) 9.564 2.745 ( 11.116 13.146 0.000) 17.216 2.993 ( 8.005 3.175 0.000) 8.611 3.170 ( -1.823 -6.273 0.000) 6.533 4.741 ( 5.063 27.129 0.000) 27.598 5.203 ( 27.467 3.245 0.000) 27.658 6.163 ( -13.939 -6.447 0.000) 15.358 8.368 ( 5.803 -28.221 0.000) 28.812 8.679 ( 12.109 -22.555 0.000) 25.600 8.968 ( -15.092 -9.144 0.000) 17.645 10.604 ( 4.691 -0.469 0.000) 4.714 12.084 ( -12.072 -12.161 0.000) 17.135 12.419 ( 15.767 9.592 0.000) 18.455 12.604 ( -12.673 1.958 0.000) 12.823 12.875 ( -15.242 -21.073 0.000) 26.008 13.243 ( -8.673 -12.440 0.000) 15.165 15.346 ( -6.469 -1.635 -0.000) 6.672 15.349 ( 11.441 16.748 0.000) 20.283 16.091 ( 8.960 20.708 0.000) 22.563======================= Grid point 567 (100/112) =======================q-point: ( 0.31 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( 21.093 10.811 0.000) 23.703 2.006 ( 14.365 5.543 0.000) 15.397 2.270 ( 6.538 8.490 0.000) 10.715 2.392 ( -0.273 1.226 0.000) 1.256 2.648 ( 2.543 14.758 0.000) 14.975 2.753 ( 6.167 1.522 0.000) 6.352 2.881 ( 3.417 9.890 0.000) 10.464 3.157 ( 7.596 -1.534 0.000) 7.750 3.217 ( 5.766 -5.935 -0.000) 8.275 4.851 ( 5.760 27.850 0.000) 28.440 5.723 ( 24.097 2.474 0.000) 24.224 5.910 ( -10.587 -5.928 0.000) 12.134 8.461 ( -9.326 -10.890 0.000) 14.338 8.729 ( 3.847 -37.893 0.000) 38.088 9.017 ( 20.681 -35.410 0.000) 41.007 10.620 ( -2.301 -16.543 0.000) 16.702 11.850 ( -10.767 -25.210 0.000) 27.413 12.360 ( -14.062 -5.067 0.000) 14.947 12.595 ( 0.002 3.247 0.000) 3.247 12.634 ( -7.068 -4.095 0.000) 8.168 13.135 ( -0.561 -10.354 0.000) 10.369 15.182 ( -8.970 0.945 0.000) 9.020 15.571 ( 10.363 19.803 0.000) 22.350 16.199 ( 2.096 23.570 0.000) 23.663======================= Grid point 569 (101/112) =======================q-point: ( 0.38 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.223 ( 7.387 7.040 0.000) 10.204 2.243 ( 19.748 9.570 0.000) 21.945 2.381 ( 4.800 7.787 0.000) 9.148 2.385 ( -0.303 1.769 0.000) 1.795 2.675 ( 0.637 16.741 0.000) 16.753 2.848 ( 3.579 4.398 0.000) 5.671 2.928 ( 1.848 10.238 0.000) 10.403 3.244 ( 0.246 -3.102 0.000) 3.112 3.343 ( 5.866 -7.442 -0.000) 9.476 4.959 ( 4.781 27.592 0.000) 28.003 5.763 ( -4.145 -7.293 0.000) 8.389 6.134 ( 16.519 1.770 0.000) 16.614 8.100 ( -18.834 0.427 0.000) 18.839 9.037 ( 19.654 -50.506 0.000) 54.195 9.454 ( 21.786 -40.134 0.000) 45.666 10.523 ( -7.541 -31.769 0.000) 32.651 11.661 ( -8.209 -37.644 0.000) 38.529 12.063 ( -13.818 -20.758 0.000) 24.937 12.455 ( -10.944 -2.948 0.000) 11.334 12.572 ( -0.725 16.686 0.000) 16.702 13.200 ( 4.889 -8.981 0.000) 10.226 15.018 ( -7.016 6.639 0.000) 9.659 15.746 ( 6.952 20.703 0.000) 21.839 16.200 ( -1.238 25.047 0.000) 25.077======================= Grid point 571 (102/112) =======================q-point: ( 0.46 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.312 ( 2.023 7.683 0.000) 7.945 2.382 ( -0.024 1.978 0.000) 1.978 2.437 ( 1.900 6.877 0.000) 7.135 2.554 ( 6.907 9.337 0.000) 11.615 2.718 ( 5.185 19.287 0.000) 19.972 2.893 ( 0.788 6.161 0.000) 6.211 2.955 ( 0.721 11.717 -0.000) 11.739 3.178 ( -4.953 -4.275 0.000) 6.542 3.427 ( 2.286 -8.401 0.000) 8.706 5.028 ( 1.905 27.032 0.000) 27.099 5.725 ( -0.487 -8.315 0.000) 8.329 6.360 ( 5.875 1.392 0.000) 6.037 7.823 ( -7.678 2.154 0.000) 7.974 9.391 ( 12.619 -44.644 0.000) 46.393 9.803 ( 10.751 -38.862 0.000) 40.321 10.346 ( -7.842 -48.981 0.000) 49.605 11.531 ( -4.118 -50.315 0.000) 50.483 11.866 ( -5.204 -22.912 0.000) 23.496 12.267 ( -5.898 -1.376 0.000) 6.056 12.570 ( 0.099 22.775 0.000) 22.775 13.275 ( 2.103 -11.432 0.000) 11.624 14.919 ( -2.592 11.233 0.000) 11.528 15.840 ( 2.414 20.846 0.000) 20.985 16.174 ( -0.886 25.892 0.000) 25.907======================= Grid point 591 (103/112) =======================q-point: ( 0.23 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 16.973 16.973 0.000) 24.004 1.882 ( 14.376 14.376 0.000) 20.331 2.288 ( 7.292 7.292 0.000) 10.313 2.406 ( 0.705 0.705 0.000) 0.997 2.637 ( 4.175 4.175 0.000) 5.905 2.804 ( 10.935 10.935 0.000) 15.465 2.946 ( 4.892 4.892 -0.000) 6.919 3.069 ( 4.290 4.290 0.000) 6.067 3.116 ( 2.521 2.521 -0.000) 3.566 5.265 ( 16.080 16.080 0.000) 22.741 5.311 ( 16.239 16.239 0.000) 22.966 5.992 ( -10.617 -10.617 0.000) 15.014 7.939 ( -13.197 -13.197 0.000) 18.664 8.379 ( -7.019 -7.019 0.000) 9.926 8.739 ( -14.816 -14.816 0.000) 20.953 10.482 ( -9.857 -9.857 0.000) 13.940 11.695 ( -21.757 -21.757 0.000) 30.769 12.402 ( -23.959 -23.959 0.000) 33.883 12.654 ( 8.845 8.845 -0.000) 12.509 12.708 ( 5.445 5.445 0.000) 7.701 13.016 ( -10.270 -10.270 0.000) 14.524 15.283 ( -3.811 -3.811 0.000) 5.390 15.669 ( 15.018 15.018 0.000) 21.238 16.425 ( 12.153 12.153 0.000) 17.187======================= Grid point 593 (104/112) =======================q-point: ( 0.31 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( 19.581 15.413 0.000) 24.920 2.189 ( 14.888 12.588 0.000) 19.496 2.419 ( 0.671 1.609 -0.185) 1.753 2.419 ( 5.922 6.285 0.185) 8.638 2.735 ( 5.072 0.170 0.000) 5.075 2.990 ( 2.494 0.957 -0.000) 2.672 2.992 ( 7.341 15.867 0.000) 17.483 3.163 ( 5.214 2.270 0.000) 5.687 3.220 ( 5.307 5.760 -0.000) 7.833 5.398 ( 5.557 26.486 0.000) 27.063 5.766 ( -11.019 -8.450 0.000) 13.886 5.793 ( 22.960 4.452 0.000) 23.388 7.859 ( 4.502 -32.825 0.000) 33.133 8.385 ( -19.564 -12.344 0.000) 23.132 8.400 ( 8.689 -24.732 0.000) 26.214 10.255 ( -13.231 -17.837 0.000) 22.209 11.270 ( -20.557 -30.253 0.000) 36.577 11.913 ( -23.868 -29.404 0.000) 37.872 12.648 ( -10.315 0.628 0.000) 10.334 12.823 ( 5.479 12.251 0.000) 13.420 12.916 ( 1.264 -12.410 0.000) 12.475 15.214 ( -2.939 2.313 0.000) 3.740 15.934 ( 11.383 16.235 0.000) 19.828 16.581 ( 4.088 14.521 0.000) 15.086======================= Grid point 595 (105/112) =======================q-point: ( 0.38 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.421 ( 4.919 8.404 0.000) 9.738 2.432 ( 3.642 7.167 0.000) 8.039 2.474 ( 17.136 13.238 0.000) 21.654 2.528 ( 5.611 6.892 0.000) 8.887 2.825 ( 4.166 0.154 0.000) 4.169 3.077 ( 5.709 3.501 -0.000) 6.697 3.090 ( 2.924 15.292 0.000) 15.569 3.249 ( 2.039 5.948 0.000) 6.288 3.297 ( 2.490 3.341 -0.000) 4.167 5.495 ( 3.994 25.697 0.000) 26.006 5.591 ( -6.050 -9.820 0.000) 11.534 6.183 ( 15.654 3.113 0.000) 15.960 7.929 ( -11.449 -30.391 0.000) 32.476 8.179 ( 13.606 -22.851 0.000) 26.596 8.684 ( 18.149 -35.307 0.000) 39.698 9.912 ( -22.239 -26.391 0.000) 34.512 10.881 ( -18.381 -38.062 0.000) 42.268 11.509 ( -15.400 -32.723 0.000) 36.166 12.388 ( -13.413 -4.873 0.000) 14.271 12.913 ( 3.464 15.193 -0.000) 15.583 12.954 ( 1.507 -15.871 0.000) 15.943 15.171 ( -1.382 8.346 0.000) 8.459 16.117 ( 6.943 16.139 0.000) 17.569 16.616 ( 0.140 16.455 0.000) 16.456======================= Grid point 597 (106/112) =======================q-point: ( 0.46 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.431 ( 0.123 2.869 0.000) 2.872 2.526 ( 2.228 13.518 0.000) 13.701 2.581 ( 1.598 7.252 0.000) 7.426 2.743 ( 5.536 8.782 0.000) 10.381 2.954 ( 10.182 3.228 0.000) 10.682 3.109 ( -2.139 8.233 0.000) 8.506 3.176 ( 3.088 9.423 0.000) 9.917 3.219 ( -3.766 17.113 0.000) 17.522 3.325 ( 0.550 -1.568 0.000) 1.661 5.523 ( -1.283 -11.770 0.000) 11.840 5.551 ( 1.495 24.928 0.000) 24.972 6.397 ( 5.550 2.258 0.000) 5.992 7.703 ( -6.769 -19.389 0.000) 20.537 8.629 ( 25.112 -28.397 0.000) 37.908 9.020 ( 11.865 -38.427 0.000) 40.217 9.392 ( -26.707 -42.030 0.000) 49.797 10.575 ( -10.218 -43.784 0.000) 44.961 11.317 ( -4.404 -32.320 0.000) 32.619 12.181 ( -5.979 -7.098 0.000) 9.281 12.959 ( 1.156 16.245 -0.000) 16.286 12.972 ( 0.386 -18.794 0.000) 18.797 15.155 ( -0.336 11.807 0.000) 11.812 16.209 ( 2.312 15.806 0.000) 15.975 16.610 ( -0.381 17.540 0.000) 17.544======================= Grid point 619 (107/112) =======================q-point: ( 0.31 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.425 ( 17.796 17.796 0.000) 25.168 2.451 ( 1.554 1.554 0.000) 2.197 2.477 ( 15.039 15.039 -0.000) 21.268 2.529 ( 5.176 5.176 0.000) 7.319 2.760 ( 2.354 2.354 0.000) 3.329 3.011 ( 2.516 2.516 0.000) 3.558 3.227 ( 4.385 4.385 0.000) 6.201 3.285 ( 12.523 12.523 0.000) 17.710 3.342 ( 5.078 5.078 0.000) 7.182 5.576 ( -10.384 -10.384 0.000) 14.686 5.867 ( 13.458 13.458 0.000) 19.032 5.903 ( 12.873 12.873 0.000) 18.205 7.376 ( -15.209 -15.209 0.000) 21.508 8.081 ( -6.870 -6.870 -0.000) 9.716 8.082 ( -16.481 -16.481 0.000) 23.308 9.939 ( -15.143 -15.143 0.000) 21.416 10.693 ( -27.291 -27.291 0.000) 38.596 11.298 ( -30.771 -30.771 0.000) 43.516 12.605 ( -10.764 -10.764 0.000) 15.222 12.642 ( -8.580 -8.580 0.000) 12.134 13.031 ( 8.439 8.439 0.000) 11.935 15.271 ( 3.247 3.247 0.000) 4.592 16.208 ( 11.208 11.208 0.000) 15.850 16.784 ( 6.401 6.401 0.000) 9.052======================= Grid point 621 (108/112) =======================q-point: ( 0.38 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.477 ( 1.049 2.480 0.000) 2.693 2.634 ( 5.084 4.486 0.000) 6.780 2.727 ( 8.886 16.315 0.000) 18.578 2.754 ( 10.872 10.726 0.000) 15.272 2.834 ( 8.383 5.223 0.000) 9.877 3.114 ( 7.726 1.797 0.000) 7.933 3.297 ( 2.446 8.660 0.000) 8.999 3.406 ( 1.331 5.554 0.000) 5.711 3.501 ( 8.516 14.721 0.000) 17.007 5.379 ( -8.548 -11.346 0.000) 14.206 5.960 ( 2.940 20.562 0.000) 20.771 6.249 ( 14.291 3.188 0.000) 14.642 7.196 ( -6.129 -33.405 0.000) 33.963 7.865 ( -0.681 -15.809 0.000) 15.824 8.113 ( 8.757 -20.927 0.000) 22.686 9.546 ( -26.779 -10.895 0.000) 28.910 10.197 ( -22.227 -30.004 0.000) 37.340 10.788 ( -17.944 -38.862 0.000) 42.805 12.267 ( -17.031 -6.715 0.000) 18.307 12.577 ( -2.429 -21.472 0.000) 21.609 13.160 ( 4.657 9.720 0.000) 10.778 15.332 ( 2.676 7.508 0.000) 7.971 16.382 ( 6.354 10.483 0.000) 12.259 16.860 ( 1.785 8.404 0.000) 8.592======================= Grid point 623 (109/112) =======================q-point: ( 0.46 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.491 ( 0.360 2.999 0.000) 3.020 2.711 ( 2.178 5.541 0.000) 5.953 2.822 ( 0.862 -0.040 -0.000) 0.863 2.831 ( 2.253 16.459 0.000) 16.612 3.073 ( 8.814 10.324 0.000) 13.575 3.272 ( 6.559 1.952 0.000) 6.843 3.319 ( -0.037 13.685 0.000) 13.685 3.396 ( -2.107 6.447 0.000) 6.783 3.605 ( 1.998 18.186 0.000) 18.296 5.263 ( -2.892 -14.213 0.000) 14.504 5.999 ( 1.009 19.682 0.000) 19.707 6.443 ( 4.980 2.099 0.000) 5.405 7.074 ( -4.495 -37.524 0.000) 37.792 8.122 ( 22.609 -26.754 0.000) 35.028 8.324 ( 8.586 -30.502 0.000) 31.688 8.908 ( -32.445 -6.039 0.000) 33.003 9.846 ( -10.983 -28.416 0.000) 30.465 10.588 ( -3.914 -40.403 0.000) 40.592 12.007 ( -7.526 -9.730 0.000) 12.302 12.542 ( -0.939 -23.845 0.000) 23.864 13.221 ( 1.470 10.195 0.000) 10.301 15.370 ( 1.010 9.515 0.000) 9.568 16.464 ( 2.034 9.919 0.000) 10.126 16.876 ( 0.207 9.535 0.000) 9.538======================= Grid point 647 (110/112) =======================q-point: ( 0.38 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.520 ( 1.751 1.751 0.000) 2.476 2.718 ( 4.295 4.295 0.000) 6.074 2.823 ( 1.568 1.568 0.000) 2.218 3.025 ( 11.690 11.690 0.000) 16.533 3.092 ( 13.599 13.599 0.000) 19.232 3.176 ( 5.183 5.183 0.000) 7.330 3.477 ( 9.178 9.178 -0.000) 12.980 3.486 ( 2.282 2.282 0.000) 3.227 3.757 ( 10.712 10.712 0.000) 15.149 5.149 ( -11.295 -11.295 0.000) 15.974 6.290 ( 7.604 7.604 0.000) 10.754 6.306 ( 7.268 7.268 0.000) 10.279 6.662 ( -20.492 -20.492 0.000) 28.980 7.631 ( -4.490 -4.490 0.000) 6.349 7.859 ( -5.406 -5.406 0.000) 7.646 9.359 ( -13.245 -13.245 0.000) 18.731 9.708 ( -18.694 -18.694 0.000) 26.437 10.053 ( -30.071 -30.071 0.000) 42.527 12.141 ( -12.345 -12.345 0.000) 17.459 12.141 ( -14.049 -14.049 0.000) 19.868 13.307 ( 5.208 5.208 0.000) 7.366 15.458 ( 4.957 4.957 0.000) 7.010 16.540 ( 5.611 5.611 0.000) 7.935 16.970 ( 3.238 3.238 0.000) 4.579======================= Grid point 649 (111/112) =======================q-point: ( 0.46 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.544 ( 0.614 2.176 0.000) 2.261 2.797 ( 3.121 3.279 0.000) 4.527 2.836 ( -0.427 1.829 0.000) 1.878 3.144 ( 1.996 14.030 0.000) 14.171 3.287 ( 5.061 9.790 0.000) 11.021 3.317 ( 5.936 2.450 0.000) 6.422 3.498 ( -0.650 3.422 -0.000) 3.483 3.637 ( 5.522 17.599 0.000) 18.445 3.910 ( 4.092 12.290 0.000) 12.953 4.967 ( -5.680 -15.318 0.000) 16.338 6.321 ( 0.556 12.393 0.000) 12.406 6.378 ( -7.571 -30.038 0.000) 30.978 6.475 ( 4.458 1.058 0.000) 4.582 7.710 ( 8.763 -11.320 0.000) 14.316 7.831 ( 0.567 -18.759 0.000) 18.767 8.926 ( -21.650 3.723 0.000) 21.968 9.461 ( -6.191 -10.722 0.000) 12.381 9.751 ( -4.022 -41.832 0.000) 42.025 11.822 ( -9.260 -8.181 0.000) 12.357 12.062 ( -2.132 -22.981 0.000) 23.079 13.374 ( 1.620 5.424 0.000) 5.661 15.525 ( 1.707 5.941 0.000) 6.181 16.612 ( 1.732 5.123 0.000) 5.408 17.006 ( 0.730 4.072 0.000) 4.137======================= Grid point 675 (112/112) =======================q-point: ( 0.46 0.46 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.56e-04 0.00e+00 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.574 ( 0.777 0.777 0.000) 1.099 2.851 ( 2.001 2.001 0.000) 2.830 2.866 ( 0.584 0.584 0.000) 0.826 3.351 ( 4.247 4.247 0.000) 6.006 3.360 ( 3.153 3.153 -0.000) 4.459 3.428 ( 3.806 3.806 0.000) 5.383 3.531 ( 0.152 0.152 -0.000) 0.215 3.968 ( 12.838 12.838 0.000) 18.156 4.084 ( 4.824 4.824 0.000) 6.822 4.680 ( -11.422 -11.422 0.000) 16.153 5.949 ( -11.641 -11.641 0.000) 16.463 6.486 ( 2.431 2.431 0.000) 3.439 6.489 ( 2.127 2.127 0.000) 3.007 7.581 ( -6.333 -6.333 0.000) 8.956 7.673 ( 4.096 4.096 0.000) 5.792 8.961 ( -5.703 -5.703 0.000) 8.066 9.074 ( -16.105 -16.105 0.000) 22.775 9.365 ( -0.901 -0.901 0.000) 1.274 11.700 ( -6.435 -6.435 0.000) 9.100 11.710 ( -7.238 -7.238 0.000) 10.236 13.443 ( 1.680 1.680 0.000) 2.375 15.604 ( 1.998 1.998 0.000) 2.826 16.676 ( 1.543 1.543 0.000) 2.181 17.054 ( 1.034 1.034 0.000) 1.462=================== 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 3/24336 10.0 1744.311 1744.311 1026.669 -0.000 -0.000 0.000 3/24336 20.0 487.235 487.235 85.908 0.000 -0.000 0.000 3/24336 30.0 288.458 288.458 29.999 0.000 -0.000 0.000 3/24336 40.0 200.139 200.139 17.790 0.000 -0.000 0.000 3/24336 50.0 147.324 147.324 12.582 0.000 -0.000 0.000 3/24336 60.0 112.926 112.926 9.609 0.000 -0.000 0.000 3/24336 70.0 89.396 89.396 7.675 0.000 -0.000 0.000 3/24336 80.0 72.728 72.728 6.325 0.000 -0.000 0.000 3/24336 90.0 60.581 60.581 5.342 0.000 -0.000 0.000 3/24336 100.0 51.509 51.509 4.602 0.000 -0.000 0.000 3/24336 110.0 44.577 44.577 4.030 0.000 -0.000 0.000 3/24336 120.0 39.169 39.169 3.579 0.000 -0.000 0.000 3/24336 130.0 34.868 34.868 3.216 0.000 -0.000 0.000 3/24336 140.0 31.387 31.387 2.919 0.000 -0.000 0.000 3/24336 150.0 28.525 28.525 2.671 0.000 -0.000 0.000 3/24336 160.0 26.136 26.136 2.463 0.000 -0.000 0.000 3/24336 170.0 24.118 24.118 2.286 0.000 -0.000 0.000 3/24336 180.0 22.392 22.392 2.132 0.000 -0.000 0.000 3/24336 190.0 20.902 20.902 1.999 0.000 -0.000 0.000 3/24336 200.0 19.602 19.602 1.882 0.000 -0.000 0.000 3/24336 210.0 18.458 18.458 1.778 0.000 -0.000 0.000 3/24336 220.0 17.445 17.445 1.686 0.000 -0.000 0.000 3/24336 230.0 16.541 16.541 1.603 0.000 -0.000 0.000 3/24336 240.0 15.729 15.729 1.528 0.000 -0.000 0.000 3/24336 250.0 14.996 14.996 1.460 0.000 -0.000 0.000 3/24336 260.0 14.331 14.331 1.398 0.000 -0.000 0.000 3/24336 270.0 13.725 13.725 1.342 0.000 -0.000 0.000 3/24336 280.0 13.169 13.169 1.289 0.000 -0.000 0.000 3/24336 290.0 12.659 12.659 1.241 0.000 -0.000 0.000 3/24336 300.0 12.188 12.188 1.197 0.000 -0.000 0.000 3/24336 310.0 11.752 11.752 1.156 0.000 -0.000 0.000 3/24336 320.0 11.348 11.348 1.117 0.000 -0.000 0.000 3/24336 330.0 10.971 10.971 1.081 0.000 -0.000 0.000 3/24336 340.0 10.619 10.619 1.048 0.000 -0.000 0.000 3/24336 350.0 10.290 10.290 1.016 0.000 -0.000 0.000 3/24336 360.0 9.982 9.982 0.987 0.000 -0.000 0.000 3/24336 370.0 9.692 9.692 0.959 0.000 -0.000 0.000 3/24336 380.0 9.419 9.419 0.932 0.000 -0.000 0.000 3/24336 390.0 9.161 9.161 0.907 0.000 -0.000 0.000 3/24336 400.0 8.917 8.917 0.884 0.000 -0.000 0.000 3/24336 410.0 8.687 8.687 0.862 0.000 -0.000 0.000 3/24336 420.0 8.468 8.468 0.840 0.000 -0.000 0.000 3/24336 430.0 8.260 8.260 0.820 0.000 -0.000 0.000 3/24336 440.0 8.063 8.063 0.801 0.000 -0.000 0.000 3/24336 450.0 7.875 7.875 0.783 0.000 -0.000 0.000 3/24336 460.0 7.696 7.696 0.765 0.000 -0.000 0.000 3/24336 470.0 7.525 7.525 0.748 0.000 -0.000 0.000 3/24336 480.0 7.361 7.361 0.732 0.000 -0.000 0.000 3/24336 490.0 7.205 7.205 0.717 0.000 -0.000 0.000 3/24336 500.0 7.055 7.055 0.702 0.000 -0.000 0.000 3/24336 510.0 6.912 6.912 0.688 0.000 -0.000 0.000 3/24336 520.0 6.774 6.774 0.675 0.000 -0.000 0.000 3/24336 530.0 6.642 6.642 0.662 0.000 -0.000 0.000 3/24336 540.0 6.515 6.515 0.649 0.000 -0.000 0.000 3/24336 550.0 6.393 6.393 0.637 0.000 -0.000 0.000 3/24336 560.0 6.275 6.275 0.626 0.000 -0.000 0.000 3/24336 570.0 6.162 6.162 0.615 0.000 -0.000 0.000 3/24336 580.0 6.053 6.053 0.604 0.000 -0.000 0.000 3/24336 590.0 5.947 5.947 0.594 0.000 -0.000 0.000 3/24336 600.0 5.846 5.846 0.584 0.000 -0.000 0.000 3/24336 610.0 5.748 5.748 0.574 0.000 -0.000 0.000 3/24336 620.0 5.653 5.653 0.564 0.000 -0.000 0.000 3/24336 630.0 5.561 5.561 0.555 0.000 -0.000 0.000 3/24336 640.0 5.472 5.472 0.547 0.000 -0.000 0.000 3/24336 650.0 5.386 5.386 0.538 0.000 -0.000 0.000 3/24336 660.0 5.303 5.303 0.530 0.000 -0.000 0.000 3/24336 670.0 5.222 5.222 0.522 0.000 -0.000 0.000 3/24336 680.0 5.144 5.144 0.514 0.000 -0.000 0.000 3/24336 690.0 5.068 5.068 0.507 0.000 -0.000 0.000 3/24336 700.0 4.995 4.995 0.499 0.000 -0.000 0.000 3/24336 710.0 4.923 4.923 0.492 0.000 -0.000 0.000 3/24336 720.0 4.853 4.853 0.485 0.000 -0.000 0.000 3/24336 730.0 4.786 4.786 0.479 0.000 -0.000 0.000 3/24336 740.0 4.720 4.720 0.472 0.000 -0.000 0.000 3/24336 750.0 4.656 4.656 0.466 0.000 -0.000 0.000 3/24336 760.0 4.594 4.594 0.460 0.000 -0.000 0.000 3/24336 770.0 4.534 4.534 0.454 0.000 -0.000 0.000 3/24336 780.0 4.475 4.475 0.448 0.000 -0.000 0.000 3/24336 790.0 4.418 4.418 0.442 0.000 -0.000 0.000 3/24336 800.0 4.362 4.362 0.436 0.000 -0.000 0.000 3/24336 810.0 4.307 4.307 0.431 0.000 -0.000 0.000 3/24336 820.0 4.254 4.254 0.426 0.000 -0.000 0.000 3/24336 830.0 4.202 4.202 0.421 0.000 -0.000 0.000 3/24336 840.0 4.152 4.152 0.415 0.000 -0.000 0.000 3/24336 850.0 4.102 4.102 0.411 0.000 -0.000 0.000 3/24336 860.0 4.054 4.054 0.406 0.000 -0.000 0.000 3/24336 870.0 4.007 4.007 0.401 0.000 -0.000 0.000 3/24336 880.0 3.961 3.961 0.396 0.000 -0.000 0.000 3/24336 890.0 3.916 3.916 0.392 0.000 -0.000 0.000 3/24336 900.0 3.872 3.872 0.388 0.000 -0.000 0.000 3/24336 910.0 3.829 3.829 0.383 0.000 -0.000 0.000 3/24336 920.0 3.787 3.787 0.379 0.000 -0.000 0.000 3/24336 930.0 3.746 3.746 0.375 0.000 -0.000 0.000 3/24336 940.0 3.706 3.706 0.371 0.000 -0.000 0.000 3/24336 950.0 3.667 3.667 0.367 0.000 -0.000 0.000 3/24336 960.0 3.628 3.628 0.363 0.000 -0.000 0.000 3/24336 970.0 3.591 3.591 0.360 0.000 -0.000 0.000 3/24336 980.0 3.554 3.554 0.356 0.000 -0.000 0.000 3/24336 990.0 3.518 3.518 0.352 0.000 -0.000 0.000 3/24336 1000.0 3.482 3.482 0.349 0.000 -0.000 0.000 3/24336Thermal conductivity related properties were written into "kappa-m13136.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 10:54:35]------------------------- _ ___ 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