# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/19f520eb-9081-47bf-ad2a-47eb377511f0/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 Li3CuS2 / Pmma (51) / materials id 753748](https://mdr.nims.go.jp/datasets/9e6d2954-80c2-4825-9354-1a4a88deea60) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 23:12:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmma (51)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 7.872720530000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.931596540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.549568419999999Atomic positions (fractional): *1 Li 0.75000000000000 0.50000000000000 0.74751549564315 6.941 *2 Li 0.99635718554696 0.00000000000000 0.25133408445493 6.941 3 Li 0.50364281445304 0.00000000000000 0.25133408445493 6.941 4 Li 0.25000000000000 0.50000000000000 0.25248450435685 6.941 5 Li 0.00364281445304 0.00000000000000 0.74866591554507 6.941 6 Li 0.49635718554696 0.00000000000000 0.74866591554507 6.941 *7 Cu 0.25000000000000 0.50000000000000 0.75886111524824 63.546 8 Cu 0.75000000000000 0.50000000000000 0.24113888475176 63.546 *9 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 10 S 0.00000000000000 0.50000000000000 0.50000000000000 32.065 *11 S 0.75000000000000 0.00000000000000 0.00769536097056 32.065 12 S 0.25000000000000 0.00000000000000 0.99230463902944 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.872720530000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.931596540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.549568419999999Atomic positions (fractional): *1 Li 0.75000000000000 0.50000000000000 0.74751549564315 6.941 > 1 *2 Li 0.99635718554696 0.00000000000000 0.25133408445493 6.941 > 2 3 Li 0.50364281445304 0.00000000000000 0.25133408445493 6.941 > 3 4 Li 0.25000000000000 0.50000000000000 0.25248450435685 6.941 > 4 5 Li 0.00364281445304 0.00000000000000 0.74866591554507 6.941 > 5 6 Li 0.49635718554696 0.00000000000000 0.74866591554507 6.941 > 6 *7 Cu 0.25000000000000 0.50000000000000 0.75886111524824 63.546 > 7 8 Cu 0.75000000000000 0.50000000000000 0.24113888475176 63.546 > 8 *9 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 > 9 10 S 0.00000000000000 0.50000000000000 0.50000000000000 32.065 > 10 *11 S 0.75000000000000 0.00000000000000 0.00769536097056 32.065 > 11 12 S 0.25000000000000 0.00000000000000 0.99230463902944 32.065 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 15.745441060000003 0.000000000000000 0.000000000000000 b 0.000000000000000 11.794789620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.099136839999998Atomic positions (fractional): *1 Li 0.37500000000000 0.16666666666667 0.37375774782157 6.941 > 1 2 Li 0.87500000000000 0.16666666666667 0.37375774782157 6.941 > 1 3 Li 0.37500000000000 0.50000000000000 0.37375774782157 6.941 > 1 4 Li 0.87500000000000 0.50000000000000 0.37375774782157 6.941 > 1 5 Li 0.37500000000000 0.83333333333333 0.37375774782157 6.941 > 1 6 Li 0.87500000000000 0.83333333333333 0.37375774782157 6.941 > 1 7 Li 0.37500000000000 0.16666666666667 0.87375774782157 6.941 > 1 8 Li 0.87500000000000 0.16666666666667 0.87375774782157 6.941 > 1 9 Li 0.37500000000000 0.50000000000000 0.87375774782157 6.941 > 1 10 Li 0.87500000000000 0.50000000000000 0.87375774782157 6.941 > 1 11 Li 0.37500000000000 0.83333333333333 0.87375774782157 6.941 > 1 12 Li 0.87500000000000 0.83333333333333 0.87375774782157 6.941 > 1 *13 Li 0.49817859277348 0.00000000000000 0.12566704222747 6.941 > 2 14 Li 0.99817859277348 0.00000000000000 0.12566704222747 6.941 > 2 15 Li 0.49817859277348 0.33333333333333 0.12566704222747 6.941 > 2 16 Li 0.99817859277348 0.33333333333333 0.12566704222747 6.941 > 2 17 Li 0.49817859277348 0.66666666666667 0.12566704222747 6.941 > 2 18 Li 0.99817859277348 0.66666666666667 0.12566704222747 6.941 > 2 19 Li 0.49817859277348 0.00000000000000 0.62566704222747 6.941 > 2 20 Li 0.99817859277348 0.00000000000000 0.62566704222747 6.941 > 2 21 Li 0.49817859277348 0.33333333333333 0.62566704222747 6.941 > 2 22 Li 0.99817859277348 0.33333333333333 0.62566704222747 6.941 > 2 23 Li 0.49817859277348 0.66666666666667 0.62566704222747 6.941 > 2 24 Li 0.99817859277348 0.66666666666667 0.62566704222747 6.941 > 2 25 Li 0.25182140722652 0.00000000000000 0.12566704222747 6.941 > 3 26 Li 0.75182140722652 0.00000000000000 0.12566704222747 6.941 > 3 27 Li 0.25182140722652 0.33333333333333 0.12566704222747 6.941 > 3 28 Li 0.75182140722652 0.33333333333333 0.12566704222747 6.941 > 3 29 Li 0.25182140722652 0.66666666666667 0.12566704222747 6.941 > 3 30 Li 0.75182140722652 0.66666666666667 0.12566704222747 6.941 > 3 31 Li 0.25182140722652 0.00000000000000 0.62566704222747 6.941 > 3 32 Li 0.75182140722652 0.00000000000000 0.62566704222747 6.941 > 3 33 Li 0.25182140722652 0.33333333333333 0.62566704222747 6.941 > 3 34 Li 0.75182140722652 0.33333333333333 0.62566704222747 6.941 > 3 35 Li 0.25182140722652 0.66666666666667 0.62566704222747 6.941 > 3 36 Li 0.75182140722652 0.66666666666667 0.62566704222747 6.941 > 3 37 Li 0.12500000000000 0.16666666666667 0.12624225217843 6.941 > 4 38 Li 0.62500000000000 0.16666666666667 0.12624225217843 6.941 > 4 39 Li 0.12500000000000 0.50000000000000 0.12624225217843 6.941 > 4 40 Li 0.62500000000000 0.50000000000000 0.12624225217843 6.941 > 4 41 Li 0.12500000000000 0.83333333333333 0.12624225217843 6.941 > 4 42 Li 0.62500000000000 0.83333333333333 0.12624225217843 6.941 > 4 43 Li 0.12500000000000 0.16666666666667 0.62624225217843 6.941 > 4 44 Li 0.62500000000000 0.16666666666667 0.62624225217843 6.941 > 4 45 Li 0.12500000000000 0.50000000000000 0.62624225217843 6.941 > 4 46 Li 0.62500000000000 0.50000000000000 0.62624225217843 6.941 > 4 47 Li 0.12500000000000 0.83333333333333 0.62624225217843 6.941 > 4 48 Li 0.62500000000000 0.83333333333333 0.62624225217843 6.941 > 4 49 Li 0.00182140722652 0.00000000000000 0.37433295777253 6.941 > 5 50 Li 0.50182140722652 0.00000000000000 0.37433295777253 6.941 > 5 51 Li 0.00182140722652 0.33333333333333 0.37433295777253 6.941 > 5 52 Li 0.50182140722652 0.33333333333333 0.37433295777253 6.941 > 5 53 Li 0.00182140722652 0.66666666666667 0.37433295777253 6.941 > 5 54 Li 0.50182140722652 0.66666666666667 0.37433295777253 6.941 > 5 55 Li 0.00182140722652 0.00000000000000 0.87433295777253 6.941 > 5 56 Li 0.50182140722652 0.00000000000000 0.87433295777253 6.941 > 5 57 Li 0.00182140722652 0.33333333333333 0.87433295777253 6.941 > 5 58 Li 0.50182140722652 0.33333333333333 0.87433295777253 6.941 > 5 59 Li 0.00182140722652 0.66666666666667 0.87433295777253 6.941 > 5 60 Li 0.50182140722652 0.66666666666667 0.87433295777253 6.941 > 5 61 Li 0.24817859277348 0.00000000000000 0.37433295777253 6.941 > 6 62 Li 0.74817859277348 0.00000000000000 0.37433295777253 6.941 > 6 63 Li 0.24817859277348 0.33333333333333 0.37433295777253 6.941 > 6 64 Li 0.74817859277348 0.33333333333333 0.37433295777253 6.941 > 6 65 Li 0.24817859277348 0.66666666666667 0.37433295777253 6.941 > 6 66 Li 0.74817859277348 0.66666666666667 0.37433295777253 6.941 > 6 67 Li 0.24817859277348 0.00000000000000 0.87433295777253 6.941 > 6 68 Li 0.74817859277348 0.00000000000000 0.87433295777253 6.941 > 6 69 Li 0.24817859277348 0.33333333333333 0.87433295777253 6.941 > 6 70 Li 0.74817859277348 0.33333333333333 0.87433295777253 6.941 > 6 71 Li 0.24817859277348 0.66666666666667 0.87433295777253 6.941 > 6 72 Li 0.74817859277348 0.66666666666667 0.87433295777253 6.941 > 6 *73 Cu 0.12500000000000 0.16666666666667 0.37943055762412 63.546 > 7 74 Cu 0.62500000000000 0.16666666666667 0.37943055762412 63.546 > 7 75 Cu 0.12500000000000 0.50000000000000 0.37943055762412 63.546 > 7 76 Cu 0.62500000000000 0.50000000000000 0.37943055762412 63.546 > 7 77 Cu 0.12500000000000 0.83333333333333 0.37943055762412 63.546 > 7 78 Cu 0.62500000000000 0.83333333333333 0.37943055762412 63.546 > 7 79 Cu 0.12500000000000 0.16666666666667 0.87943055762412 63.546 > 7 80 Cu 0.62500000000000 0.16666666666667 0.87943055762412 63.546 > 7 81 Cu 0.12500000000000 0.50000000000000 0.87943055762412 63.546 > 7 82 Cu 0.62500000000000 0.50000000000000 0.87943055762412 63.546 > 7 83 Cu 0.12500000000000 0.83333333333333 0.87943055762412 63.546 > 7 84 Cu 0.62500000000000 0.83333333333333 0.87943055762412 63.546 > 7 85 Cu 0.37500000000000 0.16666666666667 0.12056944237588 63.546 > 8 86 Cu 0.87500000000000 0.16666666666667 0.12056944237588 63.546 > 8 87 Cu 0.37500000000000 0.50000000000000 0.12056944237588 63.546 > 8 88 Cu 0.87500000000000 0.50000000000000 0.12056944237588 63.546 > 8 89 Cu 0.37500000000000 0.83333333333333 0.12056944237588 63.546 > 8 90 Cu 0.87500000000000 0.83333333333333 0.12056944237588 63.546 > 8 91 Cu 0.37500000000000 0.16666666666667 0.62056944237588 63.546 > 8 92 Cu 0.87500000000000 0.16666666666667 0.62056944237588 63.546 > 8 93 Cu 0.37500000000000 0.50000000000000 0.62056944237588 63.546 > 8 94 Cu 0.87500000000000 0.50000000000000 0.62056944237588 63.546 > 8 95 Cu 0.37500000000000 0.83333333333333 0.62056944237588 63.546 > 8 96 Cu 0.87500000000000 0.83333333333333 0.62056944237588 63.546 > 8 *97 S 0.25000000000000 0.16666666666667 0.25000000000000 32.065 > 9 98 S 0.75000000000000 0.16666666666667 0.25000000000000 32.065 > 9 99 S 0.25000000000000 0.50000000000000 0.25000000000000 32.065 > 9 100 S 0.75000000000000 0.50000000000000 0.25000000000000 32.065 > 9 101 S 0.25000000000000 0.83333333333333 0.25000000000000 32.065 > 9 102 S 0.75000000000000 0.83333333333333 0.25000000000000 32.065 > 9 103 S 0.25000000000000 0.16666666666667 0.75000000000000 32.065 > 9 104 S 0.75000000000000 0.16666666666667 0.75000000000000 32.065 > 9 105 S 0.25000000000000 0.50000000000000 0.75000000000000 32.065 > 9 106 S 0.75000000000000 0.50000000000000 0.75000000000000 32.065 > 9 107 S 0.25000000000000 0.83333333333333 0.75000000000000 32.065 > 9 108 S 0.75000000000000 0.83333333333333 0.75000000000000 32.065 > 9 109 S 0.00000000000000 0.16666666666667 0.25000000000000 32.065 > 10 110 S 0.50000000000000 0.16666666666667 0.25000000000000 32.065 > 10 111 S 0.00000000000000 0.50000000000000 0.25000000000000 32.065 > 10 112 S 0.50000000000000 0.50000000000000 0.25000000000000 32.065 > 10 113 S 0.00000000000000 0.83333333333333 0.25000000000000 32.065 > 10 114 S 0.50000000000000 0.83333333333333 0.25000000000000 32.065 > 10 115 S 0.00000000000000 0.16666666666667 0.75000000000000 32.065 > 10 116 S 0.50000000000000 0.16666666666667 0.75000000000000 32.065 > 10 117 S 0.00000000000000 0.50000000000000 0.75000000000000 32.065 > 10 118 S 0.50000000000000 0.50000000000000 0.75000000000000 32.065 > 10 119 S 0.00000000000000 0.83333333333333 0.75000000000000 32.065 > 10 120 S 0.50000000000000 0.83333333333333 0.75000000000000 32.065 > 10 *121 S 0.37500000000000 0.00000000000000 0.00384768048528 32.065 > 11 122 S 0.87500000000000 0.00000000000000 0.00384768048528 32.065 > 11 123 S 0.37500000000000 0.33333333333333 0.00384768048528 32.065 > 11 124 S 0.87500000000000 0.33333333333333 0.00384768048528 32.065 > 11 125 S 0.37500000000000 0.66666666666667 0.00384768048528 32.065 > 11 126 S 0.87500000000000 0.66666666666667 0.00384768048528 32.065 > 11 127 S 0.37500000000000 0.00000000000000 0.50384768048528 32.065 > 11 128 S 0.87500000000000 0.00000000000000 0.50384768048528 32.065 > 11 129 S 0.37500000000000 0.33333333333333 0.50384768048528 32.065 > 11 130 S 0.87500000000000 0.33333333333333 0.50384768048528 32.065 > 11 131 S 0.37500000000000 0.66666666666667 0.50384768048528 32.065 > 11 132 S 0.87500000000000 0.66666666666667 0.50384768048528 32.065 > 11 133 S 0.12500000000000 0.00000000000000 0.49615231951472 32.065 > 12 134 S 0.62500000000000 0.00000000000000 0.49615231951472 32.065 > 12 135 S 0.12500000000000 0.33333333333333 0.49615231951472 32.065 > 12 136 S 0.62500000000000 0.33333333333333 0.49615231951472 32.065 > 12 137 S 0.12500000000000 0.66666666666667 0.49615231951472 32.065 > 12 138 S 0.62500000000000 0.66666666666667 0.49615231951472 32.065 > 12 139 S 0.12500000000000 0.00000000000000 0.99615231951472 32.065 > 12 140 S 0.62500000000000 0.00000000000000 0.99615231951472 32.065 > 12 141 S 0.12500000000000 0.33333333333333 0.99615231951472 32.065 > 12 142 S 0.62500000000000 0.33333333333333 0.99615231951472 32.065 > 12 143 S 0.12500000000000 0.66666666666667 0.99615231951472 32.065 > 12 144 S 0.62500000000000 0.66666666666667 0.99615231951472 32.065 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.1274224 0.0000000 0.0000000 0.0000000 5.8511687 0.0000000 0.0000000 0.0000000 5.3860880-------------------------- Born effective charges -------------------------- 1 Li 0.8926768 0.0000000 0.0000000 0.0000000 0.9965042 0.0000000 0.0000000 0.0000000 1.2198687 2 Li 0.9567993 0.0000000 -0.0009756 0.0000000 0.9774204 0.0000000 -0.2676567 0.0000000 0.9015897 3 Li 0.9567993 0.0000000 0.0009756 0.0000000 0.9774204 0.0000000 0.2676567 0.0000000 0.9015897 4 Li 0.8926768 0.0000000 0.0000000 0.0000000 0.9965042 0.0000000 0.0000000 0.0000000 1.2198687 5 Li 0.9567993 0.0000000 -0.0009756 0.0000000 0.9774204 0.0000000 -0.2676567 0.0000000 0.9015897 6 Li 0.9567993 0.0000000 0.0009756 0.0000000 0.9774204 0.0000000 0.2676567 0.0000000 0.9015897 7 Cu 1.1474037 0.0000000 0.0000000 0.0000000 0.8779254 0.0000000 0.0000000 0.0000000 0.7340845 8 Cu 1.1474037 0.0000000 0.0000000 0.0000000 0.8779254 0.0000000 0.0000000 0.0000000 0.7340845 9 S -2.2324592 0.0000000 0.2561337 0.0000000 -1.6881081 0.0000000 -0.0963389 0.0000000 -1.8344173 10 S -2.2324592 0.0000000 -0.2561337 0.0000000 -1.6881081 0.0000000 0.0963389 0.0000000 -1.8344173 11 S -1.7212198 0.0000000 0.0000000 0.0000000 -2.1411622 0.0000000 0.0000000 0.0000000 -1.9227152 12 S -1.7212198 0.0000000 0.0000000 0.0000000 -2.1411622 0.0000000 0.0000000 0.0000000 -1.9227152----------------------------------------------------------------------------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: 8352/8352Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1140Number of blocks in projector: 1140Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 124Use standard eigh solver.Tree of FC basis block matrices:- (1140, 1121), data: False|-- (124, 124), data: True|-- (160, 160), data: True|-- (200, 195), data: True|-- (200, 195), data: True|-- (200, 195), data: True|-- (256, 252), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 240 - Time: 1.571Solver_block: 200 / 240 - Time: 1.578Solver_block: 240 / 240 - Time: 0.706Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.878--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432Permutation basis: 8352/8352Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1140Number of blocks in projector: 1140Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 124Use standard eigh solver.Tree of FC basis block matrices:- (1140, 1121), data: False|-- (124, 124), data: True|-- (160, 160), data: True|-- (200, 195), data: True|-- (200, 195), data: True|-- (200, 195), data: True|-- (256, 252), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 23:12:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:12:21]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmma (51)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.872720530000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.931596540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.549568419999999Atomic positions (fractional): 1 Li 0.75000000000000 0.50000000000000 0.74751549564315 6.941 2 Li 0.99635718554696 0.00000000000000 0.25133408445493 6.941 3 Li 0.50364281445304 0.00000000000000 0.25133408445493 6.941 4 Li 0.25000000000000 0.50000000000000 0.25248450435685 6.941 5 Li 0.00364281445304 0.00000000000000 0.74866591554507 6.941 6 Li 0.49635718554696 0.00000000000000 0.74866591554507 6.941 7 Cu 0.25000000000000 0.50000000000000 0.75886111524824 63.546 8 Cu 0.75000000000000 0.50000000000000 0.24113888475176 63.546 9 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 10 S 0.00000000000000 0.50000000000000 0.50000000000000 32.065 11 S 0.75000000000000 0.00000000000000 0.00769536097056 32.065 12 S 0.25000000000000 0.00000000000000 0.99230463902944 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 15.745441060000003 0.000000000000000 0.000000000000000 b 0.000000000000000 11.794789620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.099136839999998Atomic positions (fractional): 1 Li 0.37500000000000 0.16666666666667 0.37375774782157 6.941 > 1 2 Li 0.87500000000000 0.16666666666667 0.37375774782157 6.941 > 1 3 Li 0.37500000000000 0.50000000000000 0.37375774782157 6.941 > 1 4 Li 0.87500000000000 0.50000000000000 0.37375774782157 6.941 > 1 5 Li 0.37500000000000 0.83333333333333 0.37375774782157 6.941 > 1 6 Li 0.87500000000000 0.83333333333333 0.37375774782157 6.941 > 1 7 Li 0.37500000000000 0.16666666666667 0.87375774782157 6.941 > 1 8 Li 0.87500000000000 0.16666666666667 0.87375774782157 6.941 > 1 9 Li 0.37500000000000 0.50000000000000 0.87375774782157 6.941 > 1 10 Li 0.87500000000000 0.50000000000000 0.87375774782157 6.941 > 1 11 Li 0.37500000000000 0.83333333333333 0.87375774782157 6.941 > 1 12 Li 0.87500000000000 0.83333333333333 0.87375774782157 6.941 > 1 13 Li 0.49817859277348 0.00000000000000 0.12566704222747 6.941 > 13 14 Li 0.99817859277348 0.00000000000000 0.12566704222747 6.941 > 13 15 Li 0.49817859277348 0.33333333333333 0.12566704222747 6.941 > 13 16 Li 0.99817859277348 0.33333333333333 0.12566704222747 6.941 > 13 17 Li 0.49817859277348 0.66666666666667 0.12566704222747 6.941 > 13 18 Li 0.99817859277348 0.66666666666667 0.12566704222747 6.941 > 13 19 Li 0.49817859277348 0.00000000000000 0.62566704222747 6.941 > 13 20 Li 0.99817859277348 0.00000000000000 0.62566704222747 6.941 > 13 21 Li 0.49817859277348 0.33333333333333 0.62566704222747 6.941 > 13 22 Li 0.99817859277348 0.33333333333333 0.62566704222747 6.941 > 13 23 Li 0.49817859277348 0.66666666666667 0.62566704222747 6.941 > 13 24 Li 0.99817859277348 0.66666666666667 0.62566704222747 6.941 > 13 25 Li 0.25182140722652 0.00000000000000 0.12566704222747 6.941 > 25 26 Li 0.75182140722652 0.00000000000000 0.12566704222747 6.941 > 25 27 Li 0.25182140722652 0.33333333333333 0.12566704222747 6.941 > 25 28 Li 0.75182140722652 0.33333333333333 0.12566704222747 6.941 > 25 29 Li 0.25182140722652 0.66666666666667 0.12566704222747 6.941 > 25 30 Li 0.75182140722652 0.66666666666667 0.12566704222747 6.941 > 25 31 Li 0.25182140722652 0.00000000000000 0.62566704222747 6.941 > 25 32 Li 0.75182140722652 0.00000000000000 0.62566704222747 6.941 > 25 33 Li 0.25182140722652 0.33333333333333 0.62566704222747 6.941 > 25 34 Li 0.75182140722652 0.33333333333333 0.62566704222747 6.941 > 25 35 Li 0.25182140722652 0.66666666666667 0.62566704222747 6.941 > 25 36 Li 0.75182140722652 0.66666666666667 0.62566704222747 6.941 > 25 37 Li 0.12500000000000 0.16666666666667 0.12624225217843 6.941 > 37 38 Li 0.62500000000000 0.16666666666667 0.12624225217843 6.941 > 37 39 Li 0.12500000000000 0.50000000000000 0.12624225217843 6.941 > 37 40 Li 0.62500000000000 0.50000000000000 0.12624225217843 6.941 > 37 41 Li 0.12500000000000 0.83333333333333 0.12624225217843 6.941 > 37 42 Li 0.62500000000000 0.83333333333333 0.12624225217843 6.941 > 37 43 Li 0.12500000000000 0.16666666666667 0.62624225217843 6.941 > 37 44 Li 0.62500000000000 0.16666666666667 0.62624225217843 6.941 > 37 45 Li 0.12500000000000 0.50000000000000 0.62624225217843 6.941 > 37 46 Li 0.62500000000000 0.50000000000000 0.62624225217843 6.941 > 37 47 Li 0.12500000000000 0.83333333333333 0.62624225217843 6.941 > 37 48 Li 0.62500000000000 0.83333333333333 0.62624225217843 6.941 > 37 49 Li 0.00182140722652 0.00000000000000 0.37433295777253 6.941 > 49 50 Li 0.50182140722652 0.00000000000000 0.37433295777253 6.941 > 49 51 Li 0.00182140722652 0.33333333333333 0.37433295777253 6.941 > 49 52 Li 0.50182140722652 0.33333333333333 0.37433295777253 6.941 > 49 53 Li 0.00182140722652 0.66666666666667 0.37433295777253 6.941 > 49 54 Li 0.50182140722652 0.66666666666667 0.37433295777253 6.941 > 49 55 Li 0.00182140722652 0.00000000000000 0.87433295777253 6.941 > 49 56 Li 0.50182140722652 0.00000000000000 0.87433295777253 6.941 > 49 57 Li 0.00182140722652 0.33333333333333 0.87433295777253 6.941 > 49 58 Li 0.50182140722652 0.33333333333333 0.87433295777253 6.941 > 49 59 Li 0.00182140722652 0.66666666666667 0.87433295777253 6.941 > 49 60 Li 0.50182140722652 0.66666666666667 0.87433295777253 6.941 > 49 61 Li 0.24817859277348 0.00000000000000 0.37433295777253 6.941 > 61 62 Li 0.74817859277348 0.00000000000000 0.37433295777253 6.941 > 61 63 Li 0.24817859277348 0.33333333333333 0.37433295777253 6.941 > 61 64 Li 0.74817859277348 0.33333333333333 0.37433295777253 6.941 > 61 65 Li 0.24817859277348 0.66666666666667 0.37433295777253 6.941 > 61 66 Li 0.74817859277348 0.66666666666667 0.37433295777253 6.941 > 61 67 Li 0.24817859277348 0.00000000000000 0.87433295777253 6.941 > 61 68 Li 0.74817859277348 0.00000000000000 0.87433295777253 6.941 > 61 69 Li 0.24817859277348 0.33333333333333 0.87433295777253 6.941 > 61 70 Li 0.74817859277348 0.33333333333333 0.87433295777253 6.941 > 61 71 Li 0.24817859277348 0.66666666666667 0.87433295777253 6.941 > 61 72 Li 0.74817859277348 0.66666666666667 0.87433295777253 6.941 > 61 73 Cu 0.12500000000000 0.16666666666667 0.37943055762412 63.546 > 73 74 Cu 0.62500000000000 0.16666666666667 0.37943055762412 63.546 > 73 75 Cu 0.12500000000000 0.50000000000000 0.37943055762412 63.546 > 73 76 Cu 0.62500000000000 0.50000000000000 0.37943055762412 63.546 > 73 77 Cu 0.12500000000000 0.83333333333333 0.37943055762412 63.546 > 73 78 Cu 0.62500000000000 0.83333333333333 0.37943055762412 63.546 > 73 79 Cu 0.12500000000000 0.16666666666667 0.87943055762412 63.546 > 73 80 Cu 0.62500000000000 0.16666666666667 0.87943055762412 63.546 > 73 81 Cu 0.12500000000000 0.50000000000000 0.87943055762412 63.546 > 73 82 Cu 0.62500000000000 0.50000000000000 0.87943055762412 63.546 > 73 83 Cu 0.12500000000000 0.83333333333333 0.87943055762412 63.546 > 73 84 Cu 0.62500000000000 0.83333333333333 0.87943055762412 63.546 > 73 85 Cu 0.37500000000000 0.16666666666667 0.12056944237588 63.546 > 85 86 Cu 0.87500000000000 0.16666666666667 0.12056944237588 63.546 > 85 87 Cu 0.37500000000000 0.50000000000000 0.12056944237588 63.546 > 85 88 Cu 0.87500000000000 0.50000000000000 0.12056944237588 63.546 > 85 89 Cu 0.37500000000000 0.83333333333333 0.12056944237588 63.546 > 85 90 Cu 0.87500000000000 0.83333333333333 0.12056944237588 63.546 > 85 91 Cu 0.37500000000000 0.16666666666667 0.62056944237588 63.546 > 85 92 Cu 0.87500000000000 0.16666666666667 0.62056944237588 63.546 > 85 93 Cu 0.37500000000000 0.50000000000000 0.62056944237588 63.546 > 85 94 Cu 0.87500000000000 0.50000000000000 0.62056944237588 63.546 > 85 95 Cu 0.37500000000000 0.83333333333333 0.62056944237588 63.546 > 85 96 Cu 0.87500000000000 0.83333333333333 0.62056944237588 63.546 > 85 97 S 0.25000000000000 0.16666666666667 0.25000000000000 32.065 > 97 98 S 0.75000000000000 0.16666666666667 0.25000000000000 32.065 > 97 99 S 0.25000000000000 0.50000000000000 0.25000000000000 32.065 > 97 100 S 0.75000000000000 0.50000000000000 0.25000000000000 32.065 > 97 101 S 0.25000000000000 0.83333333333333 0.25000000000000 32.065 > 97 102 S 0.75000000000000 0.83333333333333 0.25000000000000 32.065 > 97 103 S 0.25000000000000 0.16666666666667 0.75000000000000 32.065 > 97 104 S 0.75000000000000 0.16666666666667 0.75000000000000 32.065 > 97 105 S 0.25000000000000 0.50000000000000 0.75000000000000 32.065 > 97 106 S 0.75000000000000 0.50000000000000 0.75000000000000 32.065 > 97 107 S 0.25000000000000 0.83333333333333 0.75000000000000 32.065 > 97 108 S 0.75000000000000 0.83333333333333 0.75000000000000 32.065 > 97 109 S 0.00000000000000 0.16666666666667 0.25000000000000 32.065 > 109 110 S 0.50000000000000 0.16666666666667 0.25000000000000 32.065 > 109 111 S 0.00000000000000 0.50000000000000 0.25000000000000 32.065 > 109 112 S 0.50000000000000 0.50000000000000 0.25000000000000 32.065 > 109 113 S 0.00000000000000 0.83333333333333 0.25000000000000 32.065 > 109 114 S 0.50000000000000 0.83333333333333 0.25000000000000 32.065 > 109 115 S 0.00000000000000 0.16666666666667 0.75000000000000 32.065 > 109 116 S 0.50000000000000 0.16666666666667 0.75000000000000 32.065 > 109 117 S 0.00000000000000 0.50000000000000 0.75000000000000 32.065 > 109 118 S 0.50000000000000 0.50000000000000 0.75000000000000 32.065 > 109 119 S 0.00000000000000 0.83333333333333 0.75000000000000 32.065 > 109 120 S 0.50000000000000 0.83333333333333 0.75000000000000 32.065 > 109 121 S 0.37500000000000 0.00000000000000 0.00384768048528 32.065 > 121 122 S 0.87500000000000 0.00000000000000 0.00384768048528 32.065 > 121 123 S 0.37500000000000 0.33333333333333 0.00384768048528 32.065 > 121 124 S 0.87500000000000 0.33333333333333 0.00384768048528 32.065 > 121 125 S 0.37500000000000 0.66666666666667 0.00384768048528 32.065 > 121 126 S 0.87500000000000 0.66666666666667 0.00384768048528 32.065 > 121 127 S 0.37500000000000 0.00000000000000 0.50384768048528 32.065 > 121 128 S 0.87500000000000 0.00000000000000 0.50384768048528 32.065 > 121 129 S 0.37500000000000 0.33333333333333 0.50384768048528 32.065 > 121 130 S 0.87500000000000 0.33333333333333 0.50384768048528 32.065 > 121 131 S 0.37500000000000 0.66666666666667 0.50384768048528 32.065 > 121 132 S 0.87500000000000 0.66666666666667 0.50384768048528 32.065 > 121 133 S 0.12500000000000 0.00000000000000 0.49615231951472 32.065 > 133 134 S 0.62500000000000 0.00000000000000 0.49615231951472 32.065 > 133 135 S 0.12500000000000 0.33333333333333 0.49615231951472 32.065 > 133 136 S 0.62500000000000 0.33333333333333 0.49615231951472 32.065 > 133 137 S 0.12500000000000 0.66666666666667 0.49615231951472 32.065 > 133 138 S 0.62500000000000 0.66666666666667 0.49615231951472 32.065 > 133 139 S 0.12500000000000 0.00000000000000 0.99615231951472 32.065 > 133 140 S 0.62500000000000 0.00000000000000 0.99615231951472 32.065 > 133 141 S 0.12500000000000 0.33333333333333 0.99615231951472 32.065 > 133 142 S 0.62500000000000 0.33333333333333 0.99615231951472 32.065 > 133 143 S 0.12500000000000 0.66666666666667 0.99615231951472 32.065 > 133 144 S 0.62500000000000 0.66666666666667 0.99615231951472 32.065 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.1274224 0.0000000 0.0000000 0.0000000 5.8511687 0.0000000 0.0000000 0.0000000 5.3860880-------------------------- Born effective charges -------------------------- 1 Li 0.8926768 0.0000000 0.0000000 0.0000000 0.9965042 0.0000000 0.0000000 0.0000000 1.2198687 2 Li 0.9567993 0.0000000 -0.0009756 0.0000000 0.9774204 0.0000000 -0.2676567 0.0000000 0.9015897 3 Li 0.9567993 0.0000000 0.0009756 0.0000000 0.9774204 0.0000000 0.2676567 0.0000000 0.9015897 4 Li 0.8926768 0.0000000 0.0000000 0.0000000 0.9965042 0.0000000 0.0000000 0.0000000 1.2198687 5 Li 0.9567993 0.0000000 -0.0009756 0.0000000 0.9774204 0.0000000 -0.2676567 0.0000000 0.9015897 6 Li 0.9567993 0.0000000 0.0009756 0.0000000 0.9774204 0.0000000 0.2676567 0.0000000 0.9015897 7 Cu 1.1474037 0.0000000 0.0000000 0.0000000 0.8779254 0.0000000 0.0000000 0.0000000 0.7340845 8 Cu 1.1474037 0.0000000 0.0000000 0.0000000 0.8779254 0.0000000 0.0000000 0.0000000 0.7340845 9 S -2.2324592 0.0000000 0.2561337 0.0000000 -1.6881081 0.0000000 -0.0963389 0.0000000 -1.8344173 10 S -2.2324592 0.0000000 -0.2561337 0.0000000 -1.6881081 0.0000000 0.0963389 0.0000000 -1.8344173 11 S -1.7212198 0.0000000 0.0000000 0.0000000 -2.1411622 0.0000000 0.0000000 0.0000000 -1.9227152 12 S -1.7212198 0.0000000 0.0000000 0.0000000 -2.1411622 0.0000000 0.0000000 0.0000000 -1.9227152----------------------------------------------------------------------------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[ 13, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, 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[ 121, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 23:12:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:12:41]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmma (51)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.872720530000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.931596540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.549568419999999Atomic positions (fractional): 1 Li 0.75000000000000 0.50000000000000 0.74751549564315 6.941 2 Li 0.99635718554696 0.00000000000000 0.25133408445493 6.941 3 Li 0.50364281445304 0.00000000000000 0.25133408445493 6.941 4 Li 0.25000000000000 0.50000000000000 0.25248450435685 6.941 5 Li 0.00364281445304 0.00000000000000 0.74866591554507 6.941 6 Li 0.49635718554696 0.00000000000000 0.74866591554507 6.941 7 Cu 0.25000000000000 0.50000000000000 0.75886111524824 63.546 8 Cu 0.75000000000000 0.50000000000000 0.24113888475176 63.546 9 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 10 S 0.00000000000000 0.50000000000000 0.50000000000000 32.065 11 S 0.75000000000000 0.00000000000000 0.00769536097056 32.065 12 S 0.25000000000000 0.00000000000000 0.99230463902944 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 15.745441060000003 0.000000000000000 0.000000000000000 b 0.000000000000000 11.794789620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.099136839999998Atomic positions (fractional): 1 Li 0.37500000000000 0.16666666666667 0.37375774782157 6.941 > 1 2 Li 0.87500000000000 0.16666666666667 0.37375774782157 6.941 > 1 3 Li 0.37500000000000 0.50000000000000 0.37375774782157 6.941 > 1 4 Li 0.87500000000000 0.50000000000000 0.37375774782157 6.941 > 1 5 Li 0.37500000000000 0.83333333333333 0.37375774782157 6.941 > 1 6 Li 0.87500000000000 0.83333333333333 0.37375774782157 6.941 > 1 7 Li 0.37500000000000 0.16666666666667 0.87375774782157 6.941 > 1 8 Li 0.87500000000000 0.16666666666667 0.87375774782157 6.941 > 1 9 Li 0.37500000000000 0.50000000000000 0.87375774782157 6.941 > 1 10 Li 0.87500000000000 0.50000000000000 0.87375774782157 6.941 > 1 11 Li 0.37500000000000 0.83333333333333 0.87375774782157 6.941 > 1 12 Li 0.87500000000000 0.83333333333333 0.87375774782157 6.941 > 1 13 Li 0.49817859277348 0.00000000000000 0.12566704222747 6.941 > 13 14 Li 0.99817859277348 0.00000000000000 0.12566704222747 6.941 > 13 15 Li 0.49817859277348 0.33333333333333 0.12566704222747 6.941 > 13 16 Li 0.99817859277348 0.33333333333333 0.12566704222747 6.941 > 13 17 Li 0.49817859277348 0.66666666666667 0.12566704222747 6.941 > 13 18 Li 0.99817859277348 0.66666666666667 0.12566704222747 6.941 > 13 19 Li 0.49817859277348 0.00000000000000 0.62566704222747 6.941 > 13 20 Li 0.99817859277348 0.00000000000000 0.62566704222747 6.941 > 13 21 Li 0.49817859277348 0.33333333333333 0.62566704222747 6.941 > 13 22 Li 0.99817859277348 0.33333333333333 0.62566704222747 6.941 > 13 23 Li 0.49817859277348 0.66666666666667 0.62566704222747 6.941 > 13 24 Li 0.99817859277348 0.66666666666667 0.62566704222747 6.941 > 13 25 Li 0.25182140722652 0.00000000000000 0.12566704222747 6.941 > 25 26 Li 0.75182140722652 0.00000000000000 0.12566704222747 6.941 > 25 27 Li 0.25182140722652 0.33333333333333 0.12566704222747 6.941 > 25 28 Li 0.75182140722652 0.33333333333333 0.12566704222747 6.941 > 25 29 Li 0.25182140722652 0.66666666666667 0.12566704222747 6.941 > 25 30 Li 0.75182140722652 0.66666666666667 0.12566704222747 6.941 > 25 31 Li 0.25182140722652 0.00000000000000 0.62566704222747 6.941 > 25 32 Li 0.75182140722652 0.00000000000000 0.62566704222747 6.941 > 25 33 Li 0.25182140722652 0.33333333333333 0.62566704222747 6.941 > 25 34 Li 0.75182140722652 0.33333333333333 0.62566704222747 6.941 > 25 35 Li 0.25182140722652 0.66666666666667 0.62566704222747 6.941 > 25 36 Li 0.75182140722652 0.66666666666667 0.62566704222747 6.941 > 25 37 Li 0.12500000000000 0.16666666666667 0.12624225217843 6.941 > 37 38 Li 0.62500000000000 0.16666666666667 0.12624225217843 6.941 > 37 39 Li 0.12500000000000 0.50000000000000 0.12624225217843 6.941 > 37 40 Li 0.62500000000000 0.50000000000000 0.12624225217843 6.941 > 37 41 Li 0.12500000000000 0.83333333333333 0.12624225217843 6.941 > 37 42 Li 0.62500000000000 0.83333333333333 0.12624225217843 6.941 > 37 43 Li 0.12500000000000 0.16666666666667 0.62624225217843 6.941 > 37 44 Li 0.62500000000000 0.16666666666667 0.62624225217843 6.941 > 37 45 Li 0.12500000000000 0.50000000000000 0.62624225217843 6.941 > 37 46 Li 0.62500000000000 0.50000000000000 0.62624225217843 6.941 > 37 47 Li 0.12500000000000 0.83333333333333 0.62624225217843 6.941 > 37 48 Li 0.62500000000000 0.83333333333333 0.62624225217843 6.941 > 37 49 Li 0.00182140722652 0.00000000000000 0.37433295777253 6.941 > 49 50 Li 0.50182140722652 0.00000000000000 0.37433295777253 6.941 > 49 51 Li 0.00182140722652 0.33333333333333 0.37433295777253 6.941 > 49 52 Li 0.50182140722652 0.33333333333333 0.37433295777253 6.941 > 49 53 Li 0.00182140722652 0.66666666666667 0.37433295777253 6.941 > 49 54 Li 0.50182140722652 0.66666666666667 0.37433295777253 6.941 > 49 55 Li 0.00182140722652 0.00000000000000 0.87433295777253 6.941 > 49 56 Li 0.50182140722652 0.00000000000000 0.87433295777253 6.941 > 49 57 Li 0.00182140722652 0.33333333333333 0.87433295777253 6.941 > 49 58 Li 0.50182140722652 0.33333333333333 0.87433295777253 6.941 > 49 59 Li 0.00182140722652 0.66666666666667 0.87433295777253 6.941 > 49 60 Li 0.50182140722652 0.66666666666667 0.87433295777253 6.941 > 49 61 Li 0.24817859277348 0.00000000000000 0.37433295777253 6.941 > 61 62 Li 0.74817859277348 0.00000000000000 0.37433295777253 6.941 > 61 63 Li 0.24817859277348 0.33333333333333 0.37433295777253 6.941 > 61 64 Li 0.74817859277348 0.33333333333333 0.37433295777253 6.941 > 61 65 Li 0.24817859277348 0.66666666666667 0.37433295777253 6.941 > 61 66 Li 0.74817859277348 0.66666666666667 0.37433295777253 6.941 > 61 67 Li 0.24817859277348 0.00000000000000 0.87433295777253 6.941 > 61 68 Li 0.74817859277348 0.00000000000000 0.87433295777253 6.941 > 61 69 Li 0.24817859277348 0.33333333333333 0.87433295777253 6.941 > 61 70 Li 0.74817859277348 0.33333333333333 0.87433295777253 6.941 > 61 71 Li 0.24817859277348 0.66666666666667 0.87433295777253 6.941 > 61 72 Li 0.74817859277348 0.66666666666667 0.87433295777253 6.941 > 61 73 Cu 0.12500000000000 0.16666666666667 0.37943055762412 63.546 > 73 74 Cu 0.62500000000000 0.16666666666667 0.37943055762412 63.546 > 73 75 Cu 0.12500000000000 0.50000000000000 0.37943055762412 63.546 > 73 76 Cu 0.62500000000000 0.50000000000000 0.37943055762412 63.546 > 73 77 Cu 0.12500000000000 0.83333333333333 0.37943055762412 63.546 > 73 78 Cu 0.62500000000000 0.83333333333333 0.37943055762412 63.546 > 73 79 Cu 0.12500000000000 0.16666666666667 0.87943055762412 63.546 > 73 80 Cu 0.62500000000000 0.16666666666667 0.87943055762412 63.546 > 73 81 Cu 0.12500000000000 0.50000000000000 0.87943055762412 63.546 > 73 82 Cu 0.62500000000000 0.50000000000000 0.87943055762412 63.546 > 73 83 Cu 0.12500000000000 0.83333333333333 0.87943055762412 63.546 > 73 84 Cu 0.62500000000000 0.83333333333333 0.87943055762412 63.546 > 73 85 Cu 0.37500000000000 0.16666666666667 0.12056944237588 63.546 > 85 86 Cu 0.87500000000000 0.16666666666667 0.12056944237588 63.546 > 85 87 Cu 0.37500000000000 0.50000000000000 0.12056944237588 63.546 > 85 88 Cu 0.87500000000000 0.50000000000000 0.12056944237588 63.546 > 85 89 Cu 0.37500000000000 0.83333333333333 0.12056944237588 63.546 > 85 90 Cu 0.87500000000000 0.83333333333333 0.12056944237588 63.546 > 85 91 Cu 0.37500000000000 0.16666666666667 0.62056944237588 63.546 > 85 92 Cu 0.87500000000000 0.16666666666667 0.62056944237588 63.546 > 85 93 Cu 0.37500000000000 0.50000000000000 0.62056944237588 63.546 > 85 94 Cu 0.87500000000000 0.50000000000000 0.62056944237588 63.546 > 85 95 Cu 0.37500000000000 0.83333333333333 0.62056944237588 63.546 > 85 96 Cu 0.87500000000000 0.83333333333333 0.62056944237588 63.546 > 85 97 S 0.25000000000000 0.16666666666667 0.25000000000000 32.065 > 97 98 S 0.75000000000000 0.16666666666667 0.25000000000000 32.065 > 97 99 S 0.25000000000000 0.50000000000000 0.25000000000000 32.065 > 97 100 S 0.75000000000000 0.50000000000000 0.25000000000000 32.065 > 97 101 S 0.25000000000000 0.83333333333333 0.25000000000000 32.065 > 97 102 S 0.75000000000000 0.83333333333333 0.25000000000000 32.065 > 97 103 S 0.25000000000000 0.16666666666667 0.75000000000000 32.065 > 97 104 S 0.75000000000000 0.16666666666667 0.75000000000000 32.065 > 97 105 S 0.25000000000000 0.50000000000000 0.75000000000000 32.065 > 97 106 S 0.75000000000000 0.50000000000000 0.75000000000000 32.065 > 97 107 S 0.25000000000000 0.83333333333333 0.75000000000000 32.065 > 97 108 S 0.75000000000000 0.83333333333333 0.75000000000000 32.065 > 97 109 S 0.00000000000000 0.16666666666667 0.25000000000000 32.065 > 109 110 S 0.50000000000000 0.16666666666667 0.25000000000000 32.065 > 109 111 S 0.00000000000000 0.50000000000000 0.25000000000000 32.065 > 109 112 S 0.50000000000000 0.50000000000000 0.25000000000000 32.065 > 109 113 S 0.00000000000000 0.83333333333333 0.25000000000000 32.065 > 109 114 S 0.50000000000000 0.83333333333333 0.25000000000000 32.065 > 109 115 S 0.00000000000000 0.16666666666667 0.75000000000000 32.065 > 109 116 S 0.50000000000000 0.16666666666667 0.75000000000000 32.065 > 109 117 S 0.00000000000000 0.50000000000000 0.75000000000000 32.065 > 109 118 S 0.50000000000000 0.50000000000000 0.75000000000000 32.065 > 109 119 S 0.00000000000000 0.83333333333333 0.75000000000000 32.065 > 109 120 S 0.50000000000000 0.83333333333333 0.75000000000000 32.065 > 109 121 S 0.37500000000000 0.00000000000000 0.00384768048528 32.065 > 121 122 S 0.87500000000000 0.00000000000000 0.00384768048528 32.065 > 121 123 S 0.37500000000000 0.33333333333333 0.00384768048528 32.065 > 121 124 S 0.87500000000000 0.33333333333333 0.00384768048528 32.065 > 121 125 S 0.37500000000000 0.66666666666667 0.00384768048528 32.065 > 121 126 S 0.87500000000000 0.66666666666667 0.00384768048528 32.065 > 121 127 S 0.37500000000000 0.00000000000000 0.50384768048528 32.065 > 121 128 S 0.87500000000000 0.00000000000000 0.50384768048528 32.065 > 121 129 S 0.37500000000000 0.33333333333333 0.50384768048528 32.065 > 121 130 S 0.87500000000000 0.33333333333333 0.50384768048528 32.065 > 121 131 S 0.37500000000000 0.66666666666667 0.50384768048528 32.065 > 121 132 S 0.87500000000000 0.66666666666667 0.50384768048528 32.065 > 121 133 S 0.12500000000000 0.00000000000000 0.49615231951472 32.065 > 133 134 S 0.62500000000000 0.00000000000000 0.49615231951472 32.065 > 133 135 S 0.12500000000000 0.33333333333333 0.49615231951472 32.065 > 133 136 S 0.62500000000000 0.33333333333333 0.49615231951472 32.065 > 133 137 S 0.12500000000000 0.66666666666667 0.49615231951472 32.065 > 133 138 S 0.62500000000000 0.66666666666667 0.49615231951472 32.065 > 133 139 S 0.12500000000000 0.00000000000000 0.99615231951472 32.065 > 133 140 S 0.62500000000000 0.00000000000000 0.99615231951472 32.065 > 133 141 S 0.12500000000000 0.33333333333333 0.99615231951472 32.065 > 133 142 S 0.62500000000000 0.33333333333333 0.99615231951472 32.065 > 133 143 S 0.12500000000000 0.66666666666667 0.99615231951472 32.065 > 133 144 S 0.62500000000000 0.66666666666667 0.99615231951472 32.065 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 6.1274224 0.0000000 0.0000000 0.0000000 5.8511687 0.0000000 0.0000000 0.0000000 5.3860880-------------------------- Born effective charges -------------------------- 1 Li 0.8926768 0.0000000 0.0000000 0.0000000 0.9965042 0.0000000 0.0000000 0.0000000 1.2198687 2 Li 0.9567993 0.0000000 -0.0009756 0.0000000 0.9774204 0.0000000 -0.2676567 0.0000000 0.9015897 3 Li 0.9567993 0.0000000 0.0009756 0.0000000 0.9774204 0.0000000 0.2676567 0.0000000 0.9015897 4 Li 0.8926768 0.0000000 0.0000000 0.0000000 0.9965042 0.0000000 0.0000000 0.0000000 1.2198687 5 Li 0.9567993 0.0000000 -0.0009756 0.0000000 0.9774204 0.0000000 -0.2676567 0.0000000 0.9015897 6 Li 0.9567993 0.0000000 0.0009756 0.0000000 0.9774204 0.0000000 0.2676567 0.0000000 0.9015897 7 Cu 1.1474037 0.0000000 0.0000000 0.0000000 0.8779254 0.0000000 0.0000000 0.0000000 0.7340845 8 Cu 1.1474037 0.0000000 0.0000000 0.0000000 0.8779254 0.0000000 0.0000000 0.0000000 0.7340845 9 S -2.2324592 0.0000000 0.2561337 0.0000000 -1.6881081 0.0000000 -0.0963389 0.0000000 -1.8344173 10 S -2.2324592 0.0000000 -0.2561337 0.0000000 -1.6881081 0.0000000 0.0963389 0.0000000 -1.8344173 11 S -1.7212198 0.0000000 0.0000000 0.0000000 -2.1411622 0.0000000 0.0000000 0.0000000 -1.9227152 12 S -1.7212198 0.0000000 0.0000000 0.0000000 -2.1411622 0.0000000 0.0000000 0.0000000 -1.9227152----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 6 13 9 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.75, Number of G-points: 295, Lambda: 0.19Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/140) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 0.000) 0.000 7.029 ( 0.000 0.000 0.000) 0.000 8.204 ( 0.000 0.000 0.000) 0.000 9.305 ( 0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 10.026 ( 0.000 0.000 0.000) 0.000 10.459 ( 0.000 0.000 0.000) 0.000 10.532 ( 0.000 0.000 0.000) 0.000 11.209 ( 0.000 0.000 0.000) 0.000 11.338 ( 0.000 0.000 0.000) 0.000 11.555 ( 0.000 0.000 0.000) 0.000 11.558 ( 0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 12.174 ( 0.000 0.000 0.000) 0.000 12.325 ( 0.000 0.000 0.000) 0.000 12.805 ( 0.000 0.000 0.000) 0.000 12.918 ( 0.000 0.000 0.000) 0.000 14.112 ( 0.000 0.000 0.000) 0.000 14.392 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/140) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.717 ( 33.093 0.000 0.000) 33.093 0.777 ( 35.113 0.000 0.000) 35.113 1.208 ( 50.582 0.000 0.000) 50.582 2.533 ( -6.590 0.000 0.000) 6.590 2.619 ( -7.554 0.000 0.000) 7.554 2.775 ( -3.756 0.000 0.000) 3.756 3.282 ( 18.315 0.000 0.000) 18.315 3.577 ( 7.602 0.000 0.000) 7.602 4.050 ( 0.759 0.000 0.000) 0.759 4.324 ( -4.102 0.000 0.000) 4.102 5.063 ( -11.951 0.000 0.000) 11.951 6.164 ( -0.591 0.000 0.000) 0.591 6.178 ( 4.582 0.000 0.000) 4.582 6.430 ( -26.807 0.000 0.000) 26.807 6.638 ( -2.467 0.000 0.000) 2.467 6.817 ( 20.715 0.000 0.000) 20.715 7.082 ( -0.491 0.000 0.000) 0.491 8.123 ( -7.178 0.000 0.000) 7.178 9.304 ( 0.414 0.000 0.000) 0.414 9.513 ( 1.706 0.000 0.000) 1.706 9.547 ( -2.997 0.000 0.000) 2.997 9.845 ( 12.624 0.000 0.000) 12.624 9.941 ( -6.596 0.000 0.000) 6.596 10.496 ( 3.213 0.000 0.000) 3.213 10.643 ( 9.050 0.000 0.000) 9.050 11.249 ( -7.776 0.000 0.000) 7.776 11.407 ( -10.904 0.000 0.000) 10.904 11.493 ( -5.793 0.000 0.000) 5.793 12.093 ( 9.092 0.000 0.000) 9.092 12.198 ( 1.929 0.000 0.000) 1.929 12.321 ( -0.346 0.000 0.000) 0.346 12.483 ( 0.981 0.000 0.000) 0.981 12.972 ( 4.933 0.000 0.000) 4.933 13.485 ( -1.344 0.000 0.000) 1.344 14.121 ( 0.800 0.000 0.000) 0.800 14.350 ( -3.655 0.000 0.000) 3.655======================= Grid point 2 (3/140) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( 29.579 0.000 0.000) 29.579 1.455 ( 28.303 0.000 0.000) 28.303 2.012 ( 22.788 0.000 0.000) 22.788 2.357 ( -8.161 0.000 0.000) 8.161 2.372 ( -15.809 0.000 0.000) 15.809 2.662 ( -6.957 0.000 0.000) 6.957 3.818 ( 15.187 0.000 0.000) 15.187 3.900 ( 39.254 0.000 0.000) 39.254 4.077 ( 1.859 0.000 0.000) 1.859 4.223 ( -4.914 0.000 0.000) 4.914 4.685 ( -21.899 0.000 0.000) 21.899 5.727 ( -38.762 0.000 0.000) 38.762 6.302 ( 6.644 0.000 0.000) 6.644 6.331 ( 14.070 0.000 0.000) 14.070 6.561 ( -4.715 0.000 0.000) 4.715 6.962 ( -10.520 0.000 0.000) 10.520 7.250 ( 19.569 0.000 0.000) 19.569 7.921 ( -11.687 0.000 0.000) 11.687 9.332 ( 2.117 0.000 0.000) 2.117 9.470 ( -3.970 0.000 0.000) 3.970 9.568 ( 3.511 0.000 0.000) 3.511 9.793 ( -6.858 0.000 0.000) 6.858 10.162 ( 16.091 0.000 0.000) 16.091 10.566 ( 1.894 0.000 0.000) 1.894 10.866 ( 11.384 0.000 0.000) 11.384 11.053 ( -8.868 0.000 0.000) 8.868 11.169 ( -10.710 0.000 0.000) 10.710 11.329 ( -9.398 0.000 0.000) 9.398 12.243 ( 2.167 0.000 0.000) 2.167 12.282 ( 8.160 0.000 0.000) 8.160 12.309 ( -0.856 0.000 0.000) 0.856 12.486 ( -1.132 0.000 0.000) 1.132 13.114 ( 8.081 0.000 0.000) 8.081 13.426 ( -4.570 0.000 0.000) 4.570 14.145 ( 1.466 0.000 0.000) 1.466 14.260 ( -4.249 0.000 0.000) 4.249======================= Grid point 3 (4/140) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( -23.656 0.000 0.000) 23.656 1.952 ( 23.656 0.000 0.000) 23.656 1.954 ( -18.409 0.000 0.000) 18.409 1.954 ( 18.409 0.000 0.000) 18.409 2.472 ( -11.222 0.000 0.000) 11.222 2.472 ( 11.222 0.000 0.000) 11.222 4.132 ( -3.469 0.000 0.000) 3.469 4.132 ( 3.469 0.000 0.000) 3.469 4.211 ( -21.403 0.000 0.000) 21.403 4.211 ( 21.403 0.000 0.000) 21.403 4.826 ( -45.168 0.000 0.000) 45.168 4.826 ( 45.168 0.000 0.000) 45.168 6.442 ( -6.350 0.000 0.000) 6.350 6.442 ( 6.350 0.000 0.000) 6.350 6.668 ( -16.187 0.000 0.000) 16.187 6.668 ( 16.187 0.000 0.000) 16.187 7.629 ( -15.950 0.000 0.000) 15.950 7.629 ( 15.950 0.000 0.000) 15.950 9.390 ( -3.358 0.000 0.000) 3.358 9.390 ( 3.358 0.000 0.000) 3.358 9.662 ( -5.358 0.000 0.000) 5.358 9.662 ( 5.358 0.000 0.000) 5.358 10.473 ( -11.471 0.000 0.000) 11.471 10.473 ( 11.471 0.000 0.000) 11.471 10.994 ( -4.353 0.000 0.000) 4.353 10.994 ( 4.353 0.000 0.000) 4.353 11.108 ( -11.177 0.000 0.000) 11.177 11.108 ( 11.177 0.000 0.000) 11.177 12.283 ( -1.552 0.000 0.000) 1.552 12.283 ( 1.552 0.000 0.000) 1.552 12.423 ( -4.907 0.000 0.000) 4.907 12.423 ( 4.907 0.000 0.000) 4.907 13.290 ( -7.923 0.000 0.000) 7.923 13.290 ( 7.923 0.000 0.000) 7.923 14.187 ( -2.609 0.000 0.000) 2.609 14.187 ( 2.609 0.000 0.000) 2.609======================= Grid point 7 (5/140) =======================q-point: ( 0.00 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.660 ( 0.000 32.675 0.000) 32.675 0.719 ( 0.000 35.217 0.000) 35.217 1.188 ( 0.000 57.858 0.000) 57.858 2.619 ( 0.000 1.067 0.000) 1.067 2.741 ( 0.000 4.232 0.000) 4.232 2.764 ( 0.000 2.709 0.000) 2.709 2.799 ( 0.000 -1.457 0.000) 1.457 3.559 ( 0.000 6.622 0.000) 6.622 4.181 ( 0.000 10.207 0.000) 10.207 4.513 ( 0.000 13.784 0.000) 13.784 5.110 ( 0.000 2.520 0.000) 2.520 6.017 ( 0.000 -2.952 0.000) 2.952 6.067 ( 0.000 -4.985 0.000) 4.985 6.457 ( 0.000 -0.755 0.000) 0.755 6.830 ( 0.000 7.453 0.000) 7.453 6.913 ( 0.000 12.615 0.000) 12.615 7.028 ( 0.000 0.022 0.000) 0.022 8.095 ( 0.000 -10.211 0.000) 10.211 9.267 ( 0.000 -3.867 0.000) 3.867 9.488 ( 0.000 -7.857 0.000) 7.857 9.593 ( 0.000 8.943 0.000) 8.943 9.694 ( 0.000 0.058 0.000) 0.058 10.369 ( 0.000 -8.877 0.000) 8.877 10.477 ( 0.000 -4.750 0.000) 4.750 11.110 ( 0.000 -7.065 0.000) 7.065 11.320 ( 0.000 10.174 0.000) 10.174 11.480 ( 0.000 -6.848 0.000) 6.848 11.527 ( 0.000 11.928 0.000) 11.928 11.545 ( 0.000 -1.373 0.000) 1.373 11.637 ( 0.000 -20.204 0.000) 20.204 12.510 ( 0.000 20.682 0.000) 20.682 12.804 ( 0.000 -0.109 0.000) 0.109 13.005 ( 0.000 8.288 0.000) 8.288 13.491 ( 0.000 -2.350 0.000) 2.350 14.080 ( 0.000 -3.205 0.000) 3.205 14.349 ( 0.000 -4.309 0.000) 4.309======================= Grid point 8 (6/140) =======================q-point: ( 0.17 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( 23.961 22.008 0.000) 32.535 1.032 ( 24.012 21.916 0.000) 32.510 1.599 ( 30.851 34.951 0.000) 46.619 2.545 ( -6.470 1.272 0.000) 6.594 2.650 ( -7.862 2.376 0.000) 8.213 2.781 ( -2.442 1.382 0.000) 2.806 3.162 ( 27.797 -4.759 0.000) 28.201 3.638 ( 7.391 6.382 0.000) 9.764 4.176 ( 0.773 12.081 0.000) 12.106 4.458 ( -4.804 12.981 0.000) 13.841 5.049 ( -9.197 0.567 0.000) 9.215 6.077 ( -1.454 -6.238 0.000) 6.405 6.097 ( 4.614 -5.150 0.000) 6.915 6.611 ( -19.167 13.829 0.000) 23.635 6.639 ( 11.870 -1.263 0.000) 11.937 6.816 ( 4.233 5.022 0.000) 6.568 7.089 ( -1.132 1.190 0.000) 1.642 8.023 ( -6.446 -9.383 0.000) 11.384 9.263 ( 0.074 -4.070 0.000) 4.071 9.457 ( -2.616 -7.895 0.000) 8.317 9.567 ( 0.059 4.313 0.000) 4.313 9.879 ( 13.657 3.839 0.000) 14.186 10.068 ( -16.881 1.456 0.000) 16.944 10.528 ( 2.951 -3.554 0.000) 4.620 10.766 ( -2.244 15.757 0.000) 15.916 11.197 ( -6.386 -3.265 0.000) 7.172 11.325 ( -12.349 -8.843 0.000) 15.188 11.429 ( -4.767 -5.536 0.000) 7.305 11.830 ( 9.933 -12.337 0.000) 15.839 12.047 ( 13.345 -7.395 0.000) 15.257 12.536 ( 2.291 19.709 0.000) 19.842 12.743 ( -3.056 8.077 0.000) 8.636 13.048 ( 4.005 7.359 0.000) 8.378 13.501 ( -0.245 0.518 0.000) 0.573 14.088 ( 0.740 -3.235 0.000) 3.319 14.296 ( -4.060 -4.979 0.000) 6.425======================= Grid point 9 (7/140) =======================q-point: ( 0.33 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 200Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 24.341 12.903 0.000) 27.550 1.561 ( 23.852 10.064 0.000) 25.889 2.152 ( 16.223 13.734 0.000) 21.256 2.375 ( -7.103 2.000 0.000) 7.379 2.415 ( -14.281 3.541 0.000) 14.714 2.690 ( -6.189 3.350 0.000) 7.038 3.857 ( 33.721 -1.539 0.000) 33.756 3.873 ( 14.772 5.778 0.000) 15.862 4.257 ( 10.594 16.624 0.000) 19.713 4.336 ( -6.108 10.879 0.000) 12.476 4.713 ( -20.528 3.046 0.000) 20.753 5.736 ( -32.046 1.792 0.000) 32.096 6.300 ( 14.043 -3.071 0.000) 14.375 6.412 ( 1.866 9.948 0.000) 10.121 6.649 ( -4.106 8.444 0.000) 9.389 6.957 ( -10.813 -0.005 0.000) 10.813 7.162 ( 19.824 -7.113 0.000) 21.061 7.835 ( -11.252 -8.126 0.000) 13.880 9.282 ( 1.690 -4.877 0.000) 5.161 9.393 ( -3.134 -7.182 0.000) 7.836 9.599 ( 2.767 2.428 0.000) 3.681 9.819 ( -8.246 0.905 0.000) 8.295 10.207 ( 16.327 4.426 0.000) 16.916 10.617 ( 4.667 0.752 0.000) 4.727 10.786 ( -0.521 -1.483 0.000) 1.572 11.065 ( -2.970 -0.190 0.000) 2.976 11.066 ( -11.737 -9.152 0.000) 14.883 11.295 ( -7.477 -3.524 0.000) 8.266 12.015 ( 7.322 -9.807 0.000) 12.239 12.170 ( 0.890 -5.860 0.000) 5.927 12.596 ( 3.046 17.144 0.000) 17.412 12.698 ( -1.678 11.540 0.000) 11.661 13.169 ( 7.173 5.602 0.000) 9.102 13.458 ( -4.057 3.334 0.000) 5.251 14.109 ( 1.165 -3.583 0.000) 3.768 14.205 ( -3.989 -5.440 0.000) 6.746======================= Grid point 10 (8/140) =======================q-point: (-0.50 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( -1.151 2.927 0.000) 3.145 1.951 ( 1.151 2.927 0.000) 3.145 2.092 ( -4.718 9.369 0.000) 10.490 2.092 ( 4.718 9.369 0.000) 10.490 2.517 ( -10.260 5.111 0.000) 11.463 2.517 ( 10.260 5.111 0.000) 11.463 4.190 ( -1.738 5.273 0.000) 5.552 4.190 ( 1.738 5.273 0.000) 5.552 4.272 ( -15.978 6.164 0.000) 17.125 4.272 ( 15.978 6.164 0.000) 17.125 4.920 ( -41.813 10.227 0.000) 43.046 4.920 ( 41.813 10.227 0.000) 43.046 6.502 ( -3.349 4.244 0.000) 5.406 6.502 ( 3.349 4.244 0.000) 5.406 6.672 ( -13.699 1.992 0.000) 13.843 6.672 ( 13.699 1.992 0.000) 13.843 7.546 ( -16.039 -7.526 0.000) 17.717 7.546 ( 16.039 -7.526 0.000) 17.717 9.330 ( -2.748 -5.900 0.000) 6.508 9.330 ( 2.748 -5.900 0.000) 6.508 9.681 ( -5.048 1.215 0.000) 5.192 9.681 ( 5.048 1.215 0.000) 5.192 10.533 ( -13.157 5.718 0.000) 14.346 10.533 ( 13.157 5.718 0.000) 14.346 10.844 ( -8.613 -10.912 0.000) 13.902 10.844 ( 8.613 -10.912 0.000) 13.902 11.134 ( -7.051 -0.318 0.000) 7.058 11.134 ( 7.051 -0.318 0.000) 7.058 12.134 ( -3.844 -7.163 0.000) 8.130 12.134 ( 3.844 -7.163 0.000) 8.130 12.656 ( -2.464 14.005 0.000) 14.220 12.656 ( 2.464 14.005 0.000) 14.220 13.331 ( -7.480 4.426 0.000) 8.691 13.331 ( 7.480 4.426 0.000) 8.691 14.141 ( -2.073 -4.544 0.000) 4.995 14.141 ( 2.073 -4.544 0.000) 4.995======================= Grid point 14 (9/140) =======================q-point: ( 0.00 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.254 ( 0.000 27.223 0.000) 27.223 1.347 ( 0.000 28.272 0.000) 28.272 2.195 ( 0.000 42.868 0.000) 42.868 2.653 ( 0.000 2.748 0.000) 2.748 2.771 ( 0.000 -1.118 0.000) 1.118 2.850 ( 0.000 6.613 0.000) 6.613 2.857 ( 0.000 7.241 0.000) 7.241 3.763 ( 0.000 14.352 0.000) 14.352 4.501 ( 0.000 23.236 0.000) 23.236 4.872 ( 0.000 21.703 0.000) 21.703 5.177 ( 0.000 4.103 0.000) 4.103 5.933 ( 0.000 -5.525 0.000) 5.525 5.967 ( 0.000 -4.740 0.000) 4.740 6.437 ( 0.000 -1.208 0.000) 1.208 7.034 ( 0.000 12.895 0.000) 12.895 7.039 ( 0.000 1.415 0.000) 1.415 7.222 ( 0.000 17.862 0.000) 17.862 7.850 ( 0.000 -13.849 0.000) 13.849 9.158 ( 0.000 -7.066 0.000) 7.066 9.287 ( 0.000 -12.045 0.000) 12.045 9.702 ( 0.000 0.842 0.000) 0.842 9.799 ( 0.000 11.139 0.000) 11.139 10.137 ( 0.000 -14.034 0.000) 14.034 10.373 ( 0.000 -5.588 0.000) 5.588 10.999 ( 0.000 -4.550 0.000) 4.550 11.252 ( 0.000 -19.006 0.000) 19.006 11.319 ( 0.000 -8.862 0.000) 8.862 11.509 ( 0.000 -2.186 0.000) 2.186 11.559 ( 0.000 13.291 0.000) 13.291 11.757 ( 0.000 11.283 0.000) 11.283 12.800 ( 0.000 -0.236 0.000) 0.236 12.890 ( 0.000 17.491 0.000) 17.491 13.208 ( 0.000 11.575 0.000) 11.575 13.419 ( 0.000 -5.084 0.000) 5.084 13.997 ( 0.000 -4.876 0.000) 4.876 14.234 ( 0.000 -7.085 0.000) 7.085======================= Grid point 15 (10/140) =======================q-point: ( 0.17 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( 15.073 20.731 0.000) 25.632 1.491 ( 12.341 22.725 0.000) 25.859 2.306 ( 8.975 32.261 0.000) 33.486 2.584 ( -5.982 3.028 0.000) 6.705 2.678 ( -7.455 0.582 0.000) 7.478 2.857 ( -0.726 6.063 0.000) 6.107 3.191 ( 28.640 7.240 0.000) 29.541 3.835 ( 6.837 13.966 0.000) 15.549 4.535 ( 3.761 25.272 0.000) 25.551 4.791 ( -7.035 19.745 0.000) 20.961 5.103 ( -8.464 4.512 0.000) 9.591 5.983 ( 6.027 -6.630 0.000) 8.960 5.991 ( 0.486 -2.238 0.000) 2.290 6.607 ( 14.446 -1.663 0.000) 14.541 6.856 ( -14.238 8.742 0.000) 16.707 7.003 ( -2.495 12.667 0.000) 12.911 7.187 ( -4.706 10.962 0.000) 11.929 7.795 ( -5.090 -13.114 0.000) 14.067 9.151 ( -0.387 -7.166 0.000) 7.177 9.262 ( -2.082 -11.470 0.000) 11.658 9.640 ( -1.725 2.939 0.000) 3.408 9.979 ( -10.919 -8.730 0.000) 13.980 9.997 ( 13.653 7.549 0.000) 15.601 10.411 ( 2.744 -6.917 0.000) 7.441 10.964 ( -1.764 0.752 0.000) 1.918 11.094 ( -10.245 -13.267 0.000) 16.763 11.267 ( -13.176 12.189 0.000) 17.949 11.294 ( -3.435 -8.128 0.000) 8.824 11.649 ( 9.803 -6.685 0.000) 11.865 12.032 ( 9.870 3.547 0.000) 10.488 12.816 ( 1.322 1.006 0.000) 1.661 12.896 ( 0.362 16.512 0.000) 16.515 13.231 ( 2.412 10.420 0.000) 10.696 13.484 ( 4.642 -2.346 0.000) 5.202 14.005 ( 0.667 -4.774 0.000) 4.820 14.172 ( -5.180 -7.401 0.000) 9.034======================= Grid point 16 (11/140) =======================q-point: ( 0.33 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 200Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( 16.259 11.800 0.000) 20.089 1.800 ( 15.216 12.956 0.000) 19.985 2.418 ( -9.291 4.959 0.000) 10.531 2.478 ( -11.170 2.697 0.000) 11.491 2.510 ( 9.348 18.182 0.000) 20.444 2.805 ( -4.155 8.015 0.000) 9.028 3.882 ( 31.182 4.205 0.000) 31.464 4.052 ( 13.493 12.629 0.000) 18.481 4.606 ( -9.851 15.474 0.000) 18.344 4.713 ( 14.995 29.572 0.000) 33.156 4.810 ( -17.359 7.046 0.000) 18.735 5.834 ( -19.032 8.744 0.000) 20.945 6.212 ( 14.443 -5.834 0.000) 15.577 6.603 ( -6.110 6.749 0.000) 9.104 6.858 ( 0.877 11.046 0.000) 11.081 7.017 ( -10.501 8.488 0.000) 13.503 7.042 ( 13.353 -3.207 0.000) 13.732 7.637 ( -9.860 -11.379 0.000) 15.056 9.153 ( 0.654 -7.900 0.000) 7.927 9.215 ( -2.082 -10.436 0.000) 10.641 9.638 ( 1.134 1.266 0.000) 1.699 9.786 ( -6.776 -4.290 0.000) 8.020 10.313 ( 15.271 5.131 0.000) 16.109 10.489 ( 4.807 -9.040 0.000) 10.238 10.877 ( -9.730 -8.492 0.000) 12.915 10.930 ( -5.108 8.852 0.000) 10.220 11.048 ( -4.815 0.765 0.000) 4.875 11.195 ( -5.422 -6.482 0.000) 8.451 11.858 ( 9.346 -6.755 0.000) 11.531 12.113 ( -1.013 -0.746 0.000) 1.258 12.849 ( 1.628 4.360 0.000) 4.654 12.897 ( -0.405 13.303 0.000) 13.309 13.318 ( 5.829 8.694 0.000) 10.467 13.543 ( -0.406 4.544 0.000) 4.562 14.017 ( 0.263 -5.294 0.000) 5.301 14.061 ( -4.083 -8.854 0.000) 9.750======================= Grid point 17 (12/140) =======================q-point: (-0.50 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( -0.572 5.101 0.000) 5.133 2.037 ( 0.572 5.101 0.000) 5.133 2.268 ( -2.293 7.984 0.000) 8.306 2.268 ( 2.293 7.984 0.000) 8.306 2.685 ( -7.057 11.532 0.000) 13.520 2.685 ( 7.057 11.532 0.000) 13.520 4.326 ( -5.018 8.611 0.000) 9.966 4.326 ( 5.018 8.611 0.000) 9.966 4.435 ( -9.250 10.055 0.000) 13.663 4.435 ( 9.250 10.055 0.000) 13.663 5.248 ( -31.556 23.170 0.000) 39.149 5.248 ( 31.556 23.170 0.000) 39.149 6.498 ( -9.334 -4.204 0.000) 10.237 6.498 ( 9.334 -4.204 0.000) 10.237 6.840 ( -2.667 14.234 0.000) 14.482 6.840 ( 2.667 14.234 0.000) 14.482 7.375 ( -14.789 -9.272 0.000) 17.455 7.375 ( 14.789 -9.272 0.000) 17.455 9.177 ( -1.497 -9.186 0.000) 9.307 9.177 ( 1.497 -9.186 0.000) 9.307 9.683 ( -3.279 -1.272 0.000) 3.517 9.683 ( 3.279 -1.272 0.000) 3.517 10.567 ( -3.071 -8.245 0.000) 8.799 10.567 ( 3.071 -8.245 0.000) 8.799 10.749 ( -3.147 7.290 0.000) 7.940 10.749 ( 3.147 7.290 0.000) 7.940 11.084 ( -4.606 -4.372 0.000) 6.350 11.084 ( 4.606 -4.372 0.000) 6.350 12.028 ( -6.433 -4.262 0.000) 7.717 12.028 ( 6.433 -4.262 0.000) 7.717 12.879 ( -1.200 8.767 0.000) 8.848 12.879 ( 1.200 8.767 0.000) 8.848 13.459 ( -6.513 7.747 0.000) 10.121 13.459 ( 6.513 7.747 0.000) 10.121 14.019 ( -0.354 -7.465 0.000) 7.473 14.019 ( 0.354 -7.465 0.000) 7.473======================= Grid point 21 (13/140) =======================q-point: ( 0.00 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 0.000 17.404 0.000) 17.404 1.803 ( 0.000 18.118 0.000) 18.118 2.649 ( 0.000 4.056 0.000) 4.056 2.761 ( 0.000 0.065 0.000) 0.065 2.896 ( 0.000 21.622 0.000) 21.622 2.990 ( 0.000 7.482 0.000) 7.482 3.068 ( 0.000 14.774 0.000) 14.774 4.120 ( 0.000 21.891 0.000) 21.891 5.098 ( 0.000 36.900 0.000) 36.900 5.253 ( 0.000 2.874 0.000) 2.874 5.313 ( 0.000 22.101 0.000) 22.101 5.812 ( 0.000 -6.315 0.000) 6.315 5.891 ( 0.000 -2.874 0.000) 2.874 6.411 ( 0.000 -1.387 0.000) 1.387 7.101 ( 0.000 5.379 0.000) 5.379 7.311 ( 0.000 14.755 0.000) 14.755 7.489 ( 0.000 -4.537 0.000) 4.537 7.665 ( 0.000 8.426 0.000) 8.426 9.001 ( 0.000 -8.715 0.000) 8.715 9.042 ( 0.000 -12.436 0.000) 12.436 9.727 ( 0.000 1.484 0.000) 1.484 9.844 ( 0.000 -15.501 0.000) 15.501 10.002 ( 0.000 9.229 0.000) 9.229 10.263 ( 0.000 -5.569 0.000) 5.569 10.897 ( 0.000 -17.144 0.000) 17.144 10.922 ( 0.000 -3.427 0.000) 3.427 11.153 ( 0.000 -7.920 0.000) 7.920 11.467 ( 0.000 -1.918 0.000) 1.918 11.817 ( 0.000 12.753 0.000) 12.753 11.962 ( 0.000 9.619 0.000) 9.619 12.794 ( 0.000 -0.423 0.000) 0.423 13.168 ( 0.000 10.144 0.000) 10.144 13.293 ( 0.000 -7.644 0.000) 7.644 13.434 ( 0.000 11.171 0.000) 11.171 13.912 ( 0.000 -3.070 0.000) 3.070 14.085 ( 0.000 -7.837 0.000) 7.837======================= Grid point 22 (14/140) =======================q-point: ( 0.17 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( 7.962 13.917 0.000) 16.034 1.870 ( 5.916 15.420 0.000) 16.515 2.612 ( -3.600 3.128 0.000) 4.769 2.692 ( -5.977 1.111 0.000) 6.079 2.845 ( -1.037 20.011 0.000) 20.038 2.993 ( -0.093 7.460 0.000) 7.460 3.405 ( 26.026 13.532 0.000) 29.333 4.182 ( 5.816 21.191 0.000) 21.974 5.160 ( 5.770 36.183 0.000) 36.641 5.174 ( -11.082 18.094 0.000) 21.218 5.212 ( -5.535 7.402 0.000) 9.243 5.837 ( 5.461 -8.052 0.000) 9.729 5.992 ( 6.948 2.219 0.000) 7.294 6.569 ( 12.957 -2.403 0.000) 13.178 6.970 ( -11.730 5.414 0.000) 12.919 7.279 ( -2.869 14.873 0.000) 15.148 7.446 ( -4.551 1.447 0.000) 4.776 7.583 ( -6.894 3.367 0.000) 7.673 8.993 ( -0.458 -8.637 0.000) 8.649 9.031 ( -0.947 -11.608 0.000) 11.646 9.689 ( -2.284 2.279 0.000) 3.227 9.766 ( -5.825 -12.478 0.000) 13.770 10.131 ( 9.969 4.921 0.000) 11.118 10.280 ( 1.480 -6.289 0.000) 6.461 10.844 ( -3.816 -11.485 0.000) 12.102 10.920 ( -0.035 -3.307 0.000) 3.308 11.130 ( -2.450 -8.120 0.000) 8.482 11.535 ( -15.534 13.341 0.000) 20.477 11.548 ( 7.204 -3.935 0.000) 8.209 12.130 ( 4.561 5.739 0.000) 7.331 12.814 ( 2.631 -0.788 0.000) 2.746 13.167 ( -0.500 10.687 0.000) 10.699 13.412 ( 9.593 -4.792 0.000) 10.723 13.420 ( -0.520 8.222 0.000) 8.238 13.927 ( 0.996 -2.429 0.000) 2.625 14.020 ( -5.751 -7.765 0.000) 9.662======================= Grid point 23 (15/140) =======================q-point: ( 0.33 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 200Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( 9.554 8.103 0.000) 12.527 2.025 ( 7.856 9.409 0.000) 12.257 2.501 ( -6.242 4.148 0.000) 7.494 2.535 ( -8.145 3.448 0.000) 8.845 2.865 ( 2.389 16.486 0.000) 16.658 2.975 ( -1.705 8.823 0.000) 8.986 4.018 ( 28.617 9.526 0.000) 30.161 4.364 ( 11.143 18.942 0.000) 21.976 4.899 ( -14.482 13.951 0.000) 20.109 4.977 ( -14.434 10.226 0.000) 17.690 5.386 ( 15.347 37.536 0.000) 40.552 6.066 ( -3.175 13.279 0.000) 13.653 6.074 ( 14.956 -8.202 0.000) 17.057 6.660 ( -15.207 1.933 0.000) 15.330 6.884 ( 15.519 -5.154 0.000) 16.352 7.204 ( -3.634 15.346 0.000) 15.770 7.292 ( -8.694 14.229 0.000) 16.675 7.415 ( -8.860 -7.887 0.000) 11.861 8.989 ( 0.039 -8.525 0.000) 8.525 9.009 ( -0.956 -10.081 0.000) 10.127 9.650 ( -1.426 0.123 0.000) 1.432 9.662 ( -3.196 -8.042 0.000) 8.654 10.323 ( 2.515 -7.829 0.000) 8.223 10.333 ( 6.850 -4.408 0.000) 8.146 10.799 ( 1.378 1.238 0.000) 1.852 10.929 ( 1.052 -3.937 0.000) 4.076 11.057 ( -3.922 -7.121 0.000) 8.129 11.225 ( -13.798 12.006 0.000) 18.290 11.739 ( 10.042 -5.525 0.000) 11.462 12.110 ( -5.317 -0.153 0.000) 5.319 12.906 ( 5.452 2.376 0.000) 5.947 13.124 ( -3.678 10.200 0.000) 10.843 13.455 ( 4.272 3.936 0.000) 5.808 13.609 ( 6.533 1.806 0.000) 6.778 13.877 ( -5.883 -9.297 0.000) 11.002 13.931 ( -1.085 -2.613 0.000) 2.829======================= Grid point 24 (16/140) =======================q-point: (-0.50 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.130 ( -1.047 4.129 0.000) 4.260 2.130 ( 1.047 4.129 0.000) 4.260 2.411 ( -0.627 6.802 0.000) 6.831 2.411 ( 0.627 6.802 0.000) 6.831 2.925 ( -2.866 11.971 0.000) 12.310 2.925 ( 2.866 11.971 0.000) 12.310 4.523 ( -16.294 11.350 0.000) 19.857 4.523 ( 16.294 11.350 0.000) 19.857 4.667 ( -11.379 13.842 0.000) 17.919 4.667 ( 11.379 13.842 0.000) 17.919 5.788 ( -20.139 30.408 0.000) 36.472 5.788 ( 20.139 30.408 0.000) 36.472 6.383 ( -12.918 -6.940 0.000) 14.664 6.383 ( 12.918 -6.940 0.000) 14.664 7.168 ( -1.860 17.950 0.000) 18.046 7.168 ( 1.860 17.950 0.000) 18.046 7.189 ( -12.504 -9.553 0.000) 15.736 7.189 ( 12.504 -9.553 0.000) 15.736 8.994 ( -0.462 -8.990 0.000) 9.001 8.994 ( 0.462 -8.990 0.000) 9.001 9.632 ( -0.047 -3.832 0.000) 3.832 9.632 ( 0.047 -3.832 0.000) 3.832 10.375 ( -1.645 -9.821 0.000) 9.958 10.375 ( 1.645 -9.821 0.000) 9.958 10.932 ( -7.250 5.821 0.000) 9.297 10.932 ( 7.250 5.821 0.000) 9.297 10.994 ( -0.994 -0.995 0.000) 1.406 10.994 ( 0.994 -0.995 0.000) 1.406 11.948 ( -9.288 -4.174 0.000) 10.182 11.948 ( 9.288 -4.174 0.000) 10.182 13.024 ( -5.386 6.737 0.000) 8.626 13.024 ( 5.386 6.737 0.000) 8.626 13.583 ( -6.634 3.423 0.000) 7.465 13.583 ( 6.634 3.423 0.000) 7.465 13.875 ( -3.677 -6.105 0.000) 7.127 13.875 ( 3.677 -6.105 0.000) 7.127======================= Grid point 28 (17/140) =======================q-point: ( 0.00 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( 0.000 7.855 0.000) 7.855 2.065 ( 0.000 9.201 0.000) 9.201 2.697 ( 0.000 1.732 0.000) 1.732 2.772 ( 0.000 0.970 0.000) 0.970 3.134 ( 0.000 6.887 0.000) 6.887 3.200 ( 0.000 10.052 0.000) 10.052 3.428 ( 0.000 21.247 0.000) 21.247 4.596 ( 0.000 25.896 0.000) 25.896 5.243 ( 0.000 -5.066 0.000) 5.066 5.692 ( 0.000 15.882 0.000) 15.882 5.723 ( 0.000 -1.734 0.000) 1.734 5.857 ( 0.000 -0.684 0.000) 0.684 5.872 ( 0.000 40.087 0.000) 40.087 6.385 ( 0.000 -1.225 0.000) 1.225 7.224 ( 0.000 -15.978 0.000) 15.978 7.265 ( 0.000 11.491 0.000) 11.491 7.584 ( 0.000 12.481 0.000) 12.481 7.973 ( 0.000 15.808 0.000) 15.808 8.816 ( 0.000 -10.344 0.000) 10.344 8.834 ( 0.000 -7.757 0.000) 7.757 9.545 ( 0.000 -14.746 0.000) 14.746 9.742 ( 0.000 -0.693 0.000) 0.693 10.151 ( 0.000 6.006 0.000) 6.006 10.159 ( 0.000 -5.010 0.000) 5.010 10.596 ( 0.000 -13.034 0.000) 13.034 10.862 ( 0.000 -2.785 0.000) 2.785 11.013 ( 0.000 -6.375 0.000) 6.375 11.440 ( 0.000 -0.678 0.000) 0.678 12.047 ( 0.000 10.503 0.000) 10.503 12.133 ( 0.000 7.875 0.000) 7.875 12.783 ( 0.000 -0.692 0.000) 0.692 13.130 ( 0.000 -8.659 0.000) 8.659 13.273 ( 0.000 0.963 0.000) 0.963 13.633 ( 0.000 8.873 0.000) 8.873 13.898 ( 0.000 1.634 0.000) 1.634 13.936 ( 0.000 -7.162 0.000) 7.162======================= Grid point 29 (18/140) =======================q-point: ( 0.17 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 4.701 6.862 0.000) 8.318 2.093 ( 2.531 7.800 0.000) 8.200 2.660 ( -3.228 2.055 0.000) 3.827 2.723 ( -4.322 1.947 0.000) 4.740 3.136 ( 0.146 6.861 0.000) 6.862 3.157 ( -1.934 11.678 0.000) 11.837 3.707 ( 22.424 17.575 0.000) 28.491 4.641 ( 4.246 24.954 0.000) 25.313 5.298 ( 1.687 1.152 0.000) 2.042 5.466 ( -13.901 11.738 0.000) 18.194 5.693 ( 1.436 -4.593 0.000) 4.813 5.936 ( 5.871 38.995 0.000) 39.435 6.054 ( 10.805 3.217 0.000) 11.274 6.510 ( 10.213 -3.591 0.000) 10.826 7.116 ( -10.752 6.371 0.000) 12.498 7.221 ( -3.027 -10.415 0.000) 10.846 7.559 ( -2.129 13.158 0.000) 13.329 7.903 ( -6.761 18.036 0.000) 19.262 8.823 ( 0.543 -9.399 0.000) 9.415 8.827 ( -0.249 -7.982 0.000) 7.986 9.511 ( -2.393 -13.122 0.000) 13.339 9.727 ( -2.100 1.230 0.000) 2.434 10.145 ( 0.335 -3.979 0.000) 3.993 10.166 ( 0.624 -5.390 0.000) 5.426 10.682 ( 7.272 -4.339 0.000) 8.468 10.856 ( -0.448 -3.084 0.000) 3.116 10.988 ( -2.154 -6.223 0.000) 6.585 11.491 ( 4.842 -1.951 0.000) 5.220 11.766 ( -15.716 10.087 0.000) 18.674 12.239 ( -1.366 5.131 0.000) 5.310 12.791 ( 4.427 -1.593 0.000) 4.705 13.286 ( 1.139 1.192 0.000) 1.649 13.310 ( 13.336 -5.160 0.000) 14.299 13.562 ( -5.405 7.219 0.000) 9.018 13.876 ( -5.445 -6.842 0.000) 8.744 13.925 ( 1.434 1.752 0.000) 2.264======================= Grid point 30 (19/140) =======================q-point: ( 0.33 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 200Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.111 ( 5.896 4.745 0.000) 7.569 2.160 ( 3.308 4.603 0.000) 5.668 2.577 ( -4.039 3.396 0.000) 5.277 2.612 ( -5.492 4.124 0.000) 6.868 3.133 ( -0.477 10.712 0.000) 10.723 3.136 ( -0.175 7.422 0.000) 7.424 4.252 ( 26.599 14.296 0.000) 30.198 4.773 ( 8.051 22.203 0.000) 23.618 5.151 ( -16.071 12.106 0.000) 20.120 5.197 ( -9.491 11.674 0.000) 15.045 5.896 ( 15.027 -9.091 0.000) 17.563 6.126 ( 12.074 36.038 0.000) 38.007 6.228 ( 4.317 1.234 0.000) 4.490 6.752 ( 11.541 -8.180 0.000) 14.146 6.811 ( -17.073 14.528 0.000) 22.418 7.127 ( -5.985 -14.068 0.000) 15.288 7.513 ( -1.492 15.479 0.000) 15.551 7.709 ( -10.245 20.093 0.000) 22.554 8.832 ( 0.485 -7.311 0.000) 7.327 8.834 ( 0.438 -7.581 0.000) 7.593 9.484 ( 0.504 -9.871 0.000) 9.884 9.645 ( -5.141 -0.682 0.000) 5.186 10.172 ( 1.530 -10.587 0.000) 10.697 10.182 ( 0.752 -6.674 0.000) 6.716 10.849 ( -0.004 -3.894 0.000) 3.894 10.858 ( 6.616 1.165 0.000) 6.718 10.949 ( 1.181 -1.721 0.000) 2.088 11.440 ( -14.798 9.693 0.000) 17.690 11.642 ( 9.196 -4.218 0.000) 10.118 12.094 ( -10.109 -1.604 0.000) 10.235 12.959 ( 9.602 3.147 0.000) 10.104 13.290 ( -2.706 5.574 0.000) 6.196 13.473 ( -0.651 0.079 0.000) 0.656 13.598 ( 12.572 -3.206 0.000) 12.975 13.725 ( -8.140 -5.610 0.000) 9.886 13.922 ( -2.259 0.857 0.000) 2.416======================= Grid point 31 (20/140) =======================q-point: (-0.50 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.196 ( -1.078 2.664 0.000) 2.874 2.196 ( 1.078 2.664 0.000) 2.874 2.532 ( -0.897 5.391 0.000) 5.465 2.532 ( 0.897 5.391 0.000) 5.465 3.131 ( -0.192 8.892 0.000) 8.894 3.131 ( 0.192 8.892 0.000) 8.894 4.763 ( -20.932 13.042 0.000) 24.663 4.763 ( 20.932 13.042 0.000) 24.663 4.975 ( -10.434 17.305 0.000) 20.207 4.975 ( 10.434 17.305 0.000) 20.207 6.183 ( -9.156 -5.012 0.000) 10.438 6.183 ( 9.156 -5.012 0.000) 10.438 6.438 ( -17.015 26.518 0.000) 31.508 6.438 ( 17.015 26.518 0.000) 31.508 6.970 ( -8.830 -12.650 0.000) 15.426 6.970 ( 8.830 -12.650 0.000) 15.426 7.538 ( -4.733 18.904 0.000) 19.487 7.538 ( 4.733 18.904 0.000) 19.487 8.839 ( -0.062 -6.743 0.000) 6.743 8.839 ( 0.062 -6.743 0.000) 6.743 9.538 ( -4.303 -5.675 0.000) 7.122 9.538 ( 4.303 -5.675 0.000) 7.122 10.190 ( -0.121 -9.050 0.000) 9.051 10.190 ( 0.121 -9.050 0.000) 9.051 10.863 ( -1.330 -4.925 0.000) 5.101 10.863 ( 1.330 -4.925 0.000) 5.101 11.147 ( -12.789 8.657 0.000) 15.444 11.147 ( 12.789 8.657 0.000) 15.444 11.863 ( -11.143 -4.508 0.000) 12.021 11.863 ( 11.143 -4.508 0.000) 12.021 13.156 ( -8.524 6.697 0.000) 10.840 13.156 ( 8.524 6.697 0.000) 10.840 13.556 ( -6.954 -4.986 0.000) 8.557 13.556 ( 6.954 -4.986 0.000) 8.557 13.817 ( -7.713 -0.631 0.000) 7.738 13.817 ( 7.713 -0.631 0.000) 7.738======================= Grid point 35 (21/140) =======================q-point: ( 0.00 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( 0.000 2.770 0.000) 2.770 2.188 ( 0.000 3.895 0.000) 3.895 2.724 ( 0.000 1.031 0.000) 1.031 2.794 ( 0.000 1.090 0.000) 1.090 3.249 ( 0.000 4.721 0.000) 4.721 3.329 ( 0.000 3.904 0.000) 3.904 3.867 ( 0.000 22.854 0.000) 22.854 5.051 ( 0.000 -13.773 0.000) 13.773 5.094 ( 0.000 23.714 0.000) 23.714 5.739 ( 0.000 2.308 0.000) 2.308 5.866 ( 0.000 1.761 0.000) 1.761 5.923 ( 0.000 7.894 0.000) 7.894 6.362 ( 0.000 -0.704 0.000) 0.704 6.597 ( 0.000 31.968 0.000) 31.968 6.899 ( 0.000 -17.015 0.000) 17.015 7.529 ( 0.000 14.278 0.000) 14.278 7.778 ( 0.000 6.998 0.000) 6.998 8.221 ( 0.000 8.843 0.000) 8.843 8.647 ( 0.000 -6.769 0.000) 6.769 8.720 ( 0.000 -3.478 0.000) 3.478 9.280 ( 0.000 -11.859 0.000) 11.859 9.674 ( 0.000 -6.222 0.000) 6.222 10.073 ( 0.000 -3.581 0.000) 3.581 10.240 ( 0.000 3.151 0.000) 3.151 10.414 ( 0.000 -5.306 0.000) 5.306 10.814 ( 0.000 -2.058 0.000) 2.058 10.905 ( 0.000 -4.581 0.000) 4.581 11.439 ( 0.000 0.356 0.000) 0.356 12.221 ( 0.000 7.148 0.000) 7.148 12.271 ( 0.000 6.149 0.000) 6.149 12.767 ( 0.000 -0.881 0.000) 0.881 12.969 ( 0.000 -7.431 0.000) 7.431 13.246 ( 0.000 -2.574 0.000) 2.574 13.775 ( 0.000 5.620 0.000) 5.620 13.812 ( 0.000 -5.299 0.000) 5.299 13.949 ( 0.000 2.757 0.000) 2.757======================= Grid point 36 (22/140) =======================q-point: ( 0.17 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.080 ( 4.020 2.752 0.000) 4.871 2.196 ( 0.781 3.189 0.000) 3.283 2.693 ( -2.649 1.258 0.000) 2.932 2.761 ( -2.907 1.760 0.000) 3.398 3.252 ( 0.215 4.722 0.000) 4.727 3.312 ( -1.226 4.797 0.000) 4.951 4.086 ( 18.827 20.438 0.000) 27.788 5.120 ( 2.463 22.726 0.000) 22.859 5.188 ( 11.494 -11.540 0.000) 16.288 5.655 ( -11.734 8.273 0.000) 14.357 5.701 ( -2.443 4.456 0.000) 5.082 6.094 ( 7.441 0.848 0.000) 7.489 6.419 ( 4.754 -3.565 0.000) 5.943 6.647 ( 4.603 29.968 0.000) 30.319 6.875 ( -2.269 -16.882 0.000) 17.034 7.406 ( -10.090 14.050 0.000) 17.298 7.774 ( -0.131 8.483 0.000) 8.484 8.215 ( -2.471 13.259 0.000) 13.487 8.671 ( 2.048 -5.970 0.000) 6.312 8.693 ( -1.086 -5.453 0.000) 5.560 9.268 ( -0.613 -11.278 0.000) 11.294 9.714 ( 1.929 -3.204 0.000) 3.740 10.024 ( -10.481 -6.012 0.000) 12.083 10.073 ( -0.053 -3.900 0.000) 3.901 10.659 ( 14.116 0.880 0.000) 14.143 10.803 ( -0.895 -2.251 0.000) 2.423 10.885 ( -1.346 -4.347 0.000) 4.551 11.469 ( 3.055 -0.399 0.000) 3.081 11.927 ( -15.586 6.239 0.000) 16.788 12.325 ( -9.367 3.559 0.000) 10.020 12.755 ( 9.408 -1.942 0.000) 9.607 13.226 ( 15.619 -3.147 0.000) 15.933 13.255 ( 1.033 -2.888 0.000) 3.067 13.703 ( -5.960 6.581 0.000) 8.879 13.757 ( -4.901 -5.125 0.000) 7.091 13.962 ( 0.216 1.343 0.000) 1.360======================= Grid point 37 (23/140) =======================q-point: ( 0.33 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 200Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.178 ( 4.478 2.338 0.000) 5.051 2.220 ( 1.360 1.837 0.000) 2.286 2.631 ( -2.520 2.112 0.000) 3.288 2.684 ( -3.946 3.035 0.000) 4.978 3.258 ( 0.392 4.887 0.000) 4.903 3.287 ( -1.030 5.323 0.000) 5.422 4.562 ( 23.854 16.743 0.000) 29.144 5.194 ( 4.167 19.328 0.000) 19.772 5.376 ( 1.595 3.287 0.000) 3.653 5.387 ( -13.779 12.317 0.000) 18.482 5.756 ( 10.849 -1.974 0.000) 11.027 6.177 ( -0.648 -4.021 0.000) 4.072 6.543 ( 6.816 -9.290 0.000) 11.522 6.777 ( 7.240 25.471 0.000) 26.480 6.803 ( -4.456 -16.672 0.000) 17.257 7.166 ( -11.525 16.605 0.000) 20.213 7.790 ( 2.185 12.438 0.000) 12.629 8.079 ( -9.307 17.126 0.000) 19.492 8.705 ( 1.601 -5.714 0.000) 5.934 8.716 ( 1.701 -4.520 0.000) 4.829 9.288 ( 3.281 -9.684 0.000) 10.225 9.623 ( -9.730 -1.374 0.000) 9.826 9.956 ( 2.845 -10.701 0.000) 11.073 10.065 ( -0.951 -5.104 0.000) 5.192 10.784 ( -0.672 -2.660 0.000) 2.743 10.810 ( -1.197 -3.024 0.000) 3.252 10.995 ( 13.294 3.200 0.000) 13.674 11.577 ( 7.321 -2.391 0.000) 7.702 11.599 ( -15.149 6.459 0.000) 16.468 12.051 ( -13.807 -2.513 0.000) 14.034 13.024 ( 13.305 3.128 0.000) 13.667 13.295 ( 2.516 -3.069 0.000) 3.968 13.521 ( 8.604 -3.200 0.000) 9.180 13.551 ( -7.793 6.620 0.000) 10.226 13.642 ( -2.425 -3.833 0.000) 4.535 13.929 ( -3.697 -0.619 0.000) 3.749======================= Grid point 38 (24/140) =======================q-point: (-0.50 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.236 ( -0.578 1.426 0.000) 1.539 2.236 ( 0.578 1.426 0.000) 1.539 2.617 ( -1.616 3.333 0.000) 3.704 2.617 ( 1.616 3.333 0.000) 3.704 3.269 ( -0.678 5.210 0.000) 5.254 3.269 ( 0.678 5.210 0.000) 5.254 5.027 ( -19.158 13.677 0.000) 23.539 5.027 ( 19.158 13.677 0.000) 23.539 5.311 ( -4.990 15.475 0.000) 16.259 5.311 ( 4.990 15.475 0.000) 16.259 6.040 ( -11.904 -6.244 0.000) 13.443 6.040 ( 11.904 -6.244 0.000) 13.443 6.689 ( -6.354 -15.818 0.000) 17.047 6.689 ( 6.354 -15.818 0.000) 17.047 6.946 ( -9.003 22.067 0.000) 23.833 6.946 ( 9.003 22.067 0.000) 23.833 7.889 ( -7.374 16.435 0.000) 18.013 7.889 ( 7.374 16.435 0.000) 18.013 8.730 ( -0.387 -4.428 0.000) 4.445 8.730 ( 0.387 -4.428 0.000) 4.445 9.417 ( -8.575 -6.397 0.000) 10.698 9.417 ( 8.575 -6.397 0.000) 10.698 10.026 ( -2.794 -7.453 0.000) 7.960 10.026 ( 2.794 -7.453 0.000) 7.960 10.783 ( -0.716 -3.094 0.000) 3.176 10.783 ( 0.716 -3.094 0.000) 3.176 11.289 ( -14.169 5.791 0.000) 15.306 11.289 ( 14.169 5.791 0.000) 15.306 11.779 ( -11.517 -3.824 0.000) 12.135 11.779 ( 11.517 -3.824 0.000) 12.135 13.269 ( -8.336 3.828 0.000) 9.173 13.269 ( 8.336 3.828 0.000) 9.173 13.469 ( -3.239 -2.102 0.000) 3.862 13.469 ( 3.239 -2.102 0.000) 3.862 13.798 ( -8.576 -1.838 0.000) 8.771 13.798 ( 8.576 -1.838 0.000) 8.771======================= Grid point 42 (25/140) =======================q-point: ( 0.00 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.064 ( 0.000 0.635 0.000) 0.635 2.233 ( 0.000 1.045 0.000) 1.045 2.737 ( 0.000 0.342 0.000) 0.342 2.810 ( 0.000 0.464 0.000) 0.464 3.313 ( 0.000 1.658 0.000) 1.658 3.374 ( 0.000 1.000 0.000) 1.000 4.294 ( 0.000 19.687 0.000) 19.687 4.740 ( 0.000 -16.721 0.000) 16.721 5.451 ( 0.000 10.392 0.000) 10.392 5.779 ( 0.000 1.260 0.000) 1.260 5.932 ( 0.000 4.373 0.000) 4.373 6.018 ( 0.000 2.211 0.000) 2.211 6.351 ( 0.000 -0.298 0.000) 0.298 6.597 ( 0.000 -11.409 0.000) 11.409 7.064 ( 0.000 13.621 0.000) 13.621 7.757 ( 0.000 7.107 0.000) 7.107 7.854 ( 0.000 1.238 0.000) 1.238 8.317 ( 0.000 1.693 0.000) 1.693 8.557 ( 0.000 -2.352 0.000) 2.352 8.696 ( 0.000 0.205 0.000) 0.205 9.107 ( 0.000 -5.023 0.000) 5.023 9.548 ( 0.000 -4.618 0.000) 4.618 10.024 ( 0.000 -1.311 0.000) 1.311 10.279 ( 0.000 0.977 0.000) 0.977 10.364 ( 0.000 -0.694 0.000) 0.694 10.785 ( 0.000 -0.813 0.000) 0.813 10.841 ( 0.000 -1.761 0.000) 1.761 11.447 ( 0.000 0.306 0.000) 0.306 12.319 ( 0.000 2.636 0.000) 2.636 12.364 ( 0.000 2.850 0.000) 2.850 12.753 ( 0.000 -0.484 0.000) 0.484 12.858 ( 0.000 -3.360 0.000) 3.360 13.203 ( 0.000 -1.291 0.000) 1.291 13.738 ( 0.000 -2.013 0.000) 2.013 13.850 ( 0.000 1.918 0.000) 1.918 13.988 ( 0.000 1.072 0.000) 1.072======================= Grid point 43 (26/140) =======================q-point: ( 0.17 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 195Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.111 ( 4.078 0.704 0.000) 4.138 2.233 ( 0.051 0.832 0.000) 0.834 2.709 ( -2.347 0.417 0.000) 2.384 2.786 ( -2.170 0.690 0.000) 2.277 3.315 ( 0.243 1.663 0.000) 1.681 3.367 ( -0.587 1.234 0.000) 1.367 4.471 ( 15.467 17.371 0.000) 23.259 4.913 ( 15.091 -14.621 0.000) 21.012 5.457 ( 0.528 9.535 0.000) 9.549 5.790 ( 1.221 3.157 0.000) 3.385 5.803 ( -8.147 5.966 0.000) 10.098 6.111 ( 4.444 1.579 0.000) 4.716 6.348 ( -0.286 -2.446 0.000) 2.462 6.567 ( -2.924 -12.142 0.000) 12.489 7.085 ( 2.023 12.575 0.000) 12.737 7.626 ( -9.973 6.635 0.000) 11.978 7.882 ( 2.740 2.595 0.000) 3.774 8.403 ( 5.057 5.360 0.000) 7.369 8.592 ( 3.028 -2.037 0.000) 3.650 8.618 ( -5.751 -2.150 0.000) 6.140 9.099 ( -0.235 -5.042 0.000) 5.047 9.625 ( 6.264 -3.840 0.000) 7.347 9.957 ( -16.614 -1.266 0.000) 16.662 10.019 ( -0.564 -1.466 0.000) 1.571 10.685 ( 16.347 1.153 0.000) 16.387 10.772 ( -1.089 -0.866 0.000) 1.391 10.821 ( -1.466 -2.021 0.000) 2.497 11.468 ( 2.131 0.065 0.000) 2.132 12.009 ( -15.282 2.115 0.000) 15.428 12.374 ( -17.614 1.344 0.000) 17.665 12.723 ( 16.138 -0.978 0.000) 16.168 13.188 ( 16.696 -0.868 0.000) 16.719 13.209 ( 0.677 -1.403 0.000) 1.558 13.685 ( -4.789 -2.018 0.000) 5.197 13.801 ( -4.462 2.994 0.000) 5.373 13.971 ( -1.833 -0.138 0.000) 1.839======================= Grid point 44 (27/140) =======================q-point: ( 0.33 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 200Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.207 ( 4.061 0.689 0.000) 4.119 2.241 ( 0.774 0.482 0.000) 0.912 2.659 ( -1.745 0.707 0.000) 1.883 2.725 ( -3.345 1.079 0.000) 3.515 3.323 ( 0.510 1.692 0.000) 1.767 3.352 ( -0.766 1.546 0.000) 1.725 4.873 ( 20.634 13.321 0.000) 24.561 5.272 ( 15.369 -9.582 0.000) 18.112 5.462 ( -0.836 7.454 0.000) 7.501 5.609 ( -10.166 7.293 0.000) 12.512 5.856 ( 6.107 7.396 0.000) 9.591 6.158 ( -0.620 4.169 0.000) 4.215 6.342 ( -0.016 -8.364 0.000) 8.364 6.470 ( -5.913 -15.398 0.000) 16.495 7.148 ( 3.833 10.217 0.000) 10.913 7.412 ( -9.247 7.046 0.000) 11.625 7.975 ( 6.147 5.573 0.000) 8.297 8.352 ( -9.170 9.690 0.000) 13.341 8.601 ( 3.627 -4.720 0.000) 5.952 8.656 ( 2.153 -1.561 0.000) 2.659 9.135 ( 4.706 -4.809 0.000) 6.728 9.601 ( -14.631 -0.621 0.000) 14.645 9.790 ( 6.421 -5.178 0.000) 8.249 9.992 ( -2.258 -2.048 0.000) 3.048 10.748 ( -0.878 -0.954 0.000) 1.296 10.771 ( -1.919 -0.987 0.000) 2.158 11.038 ( 15.958 1.064 0.000) 15.993 11.548 ( 5.756 -0.687 0.000) 5.796 11.689 ( -15.045 2.483 0.000) 15.248 12.009 ( -15.855 -1.382 0.000) 15.915 13.069 ( 15.217 1.207 0.000) 15.265 13.242 ( 2.620 -1.595 0.000) 3.067 13.498 ( 9.551 0.697 0.000) 9.577 13.568 ( -2.656 -3.262 0.000) 4.207 13.666 ( -8.155 3.994 0.000) 9.080 13.901 ( -5.023 -1.614 0.000) 5.276======================= Grid point 45 (28/140) =======================q-point: (-0.50 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( -0.255 0.438 0.000) 0.507 2.253 ( 0.255 0.438 0.000) 0.507 2.661 ( -2.061 1.120 0.000) 2.345 2.661 ( 2.061 1.120 0.000) 2.345 3.336 ( -0.717 1.690 0.000) 1.836 3.336 ( 0.717 1.690 0.000) 1.836 5.279 ( -16.421 11.112 0.000) 19.828 5.279 ( 16.421 11.112 0.000) 19.828 5.470 ( -4.251 -1.151 0.000) 4.404 5.470 ( 4.251 -1.151 0.000) 4.404 6.050 ( -9.604 8.985 0.000) 13.151 6.050 ( 9.604 8.985 0.000) 13.151 6.365 ( -2.821 -16.332 0.000) 16.574 6.365 ( 2.821 -16.332 0.000) 16.574 7.250 ( -6.069 8.201 0.000) 10.202 7.250 ( 6.069 8.201 0.000) 10.202 8.143 ( -9.473 7.969 0.000) 12.379 8.143 ( 9.473 7.969 0.000) 12.379 8.663 ( -1.530 -2.269 0.000) 2.736 8.663 ( 1.530 -2.269 0.000) 2.736 9.313 ( -11.660 -3.322 0.000) 12.124 9.313 ( 11.660 -3.322 0.000) 12.124 9.917 ( -4.919 -3.171 0.000) 5.852 9.917 ( 4.919 -3.171 0.000) 5.852 10.743 ( -0.535 -1.010 0.000) 1.143 10.743 ( 0.535 -1.010 0.000) 1.143 11.368 ( -15.291 2.148 0.000) 15.441 11.368 ( 15.291 2.148 0.000) 15.441 11.723 ( -10.935 -1.618 0.000) 11.054 11.723 ( 10.935 -1.618 0.000) 11.054 13.287 ( -1.801 -0.596 0.000) 1.897 13.287 ( 1.801 -0.596 0.000) 1.897 13.493 ( -4.870 2.516 0.000) 5.482 13.493 ( 4.870 2.516 0.000) 5.482 13.753 ( -9.032 -2.088 0.000) 9.271 13.753 ( 9.032 -2.088 0.000) 9.271======================= Grid point 91 (29/140) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( 0.000 0.000 33.989) 33.989 0.732 ( 0.000 0.000 35.515) 35.515 1.153 ( 0.000 0.000 54.086) 54.086 2.607 ( 0.000 0.000 -0.061) 0.061 2.650 ( 0.000 0.000 -4.803) 4.803 2.678 ( 0.000 0.000 -1.886) 1.886 2.966 ( 0.000 0.000 11.214) 11.214 3.834 ( 0.000 0.000 12.847) 12.847 4.029 ( 0.000 0.000 -1.330) 1.330 4.328 ( 0.000 0.000 -4.191) 4.191 4.977 ( 0.000 0.000 -10.032) 10.032 5.947 ( 0.000 0.000 -9.352) 9.352 6.065 ( 0.000 0.000 -26.904) 26.904 6.105 ( 0.000 0.000 -1.839) 1.839 6.645 ( 0.000 0.000 -2.059) 2.059 7.166 ( 0.000 0.000 12.246) 12.246 7.209 ( 0.000 0.000 20.994) 20.994 8.122 ( 0.000 0.000 -8.596) 8.596 9.522 ( 0.000 0.000 2.611) 2.611 9.630 ( 0.000 0.000 6.018) 6.018 9.735 ( 0.000 0.000 3.998) 3.998 9.775 ( 0.000 0.000 7.979) 7.979 10.036 ( 0.000 0.000 0.894) 0.894 10.466 ( 0.000 0.000 0.629) 0.629 10.583 ( 0.000 0.000 4.940) 4.940 11.192 ( 0.000 0.000 -1.712) 1.712 11.368 ( 0.000 0.000 2.954) 2.954 11.554 ( 0.000 0.000 -0.319) 0.319 11.949 ( 0.000 0.000 -1.734) 1.734 12.147 ( 0.000 0.000 -2.712) 2.712 12.312 ( 0.000 0.000 -1.175) 1.175 12.795 ( 0.000 0.000 -1.080) 1.080 12.855 ( 0.000 0.000 1.847) 1.847 13.835 ( 0.000 0.000 -2.501) 2.501 14.039 ( 0.000 0.000 -7.080) 7.080 14.343 ( 0.000 0.000 -4.765) 4.765======================= Grid point 92 (30/140) =======================q-point: ( 0.17 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( 21.640 0.000 23.818) 32.180 1.034 ( 23.672 0.000 22.021) 32.331 1.579 ( 30.300 0.000 29.495) 42.285 2.536 ( -5.886 0.000 0.369) 5.898 2.605 ( -6.938 0.000 -1.269) 7.054 2.729 ( 0.606 0.000 -4.005) 4.050 3.168 ( 17.474 0.000 1.750) 17.561 3.894 ( 9.305 0.000 20.894) 22.872 4.036 ( 0.706 0.000 -1.377) 1.548 4.286 ( -3.641 0.000 -3.677) 5.175 4.908 ( -10.685 0.000 -12.770) 16.651 5.974 ( 1.635 0.000 -14.951) 15.040 6.154 ( 4.404 0.000 -2.077) 4.869 6.231 ( 12.083 0.000 -21.170) 24.376 6.617 ( -2.601 0.000 -2.172) 3.389 6.797 ( -20.094 0.000 13.904) 24.435 7.383 ( 4.557 0.000 15.887) 16.528 8.051 ( -6.323 0.000 -7.438) 9.762 9.513 ( -7.408 0.000 12.461) 14.497 9.541 ( 1.791 0.000 2.694) 3.234 9.621 ( -2.364 0.000 6.785) 7.185 9.919 ( 10.887 0.000 7.076) 12.984 9.960 ( -6.013 0.000 1.771) 6.268 10.506 ( 3.414 0.000 0.914) 3.535 10.682 ( 8.247 0.000 3.833) 9.095 11.126 ( -4.898 0.000 -3.747) 6.167 11.491 ( -5.657 0.000 -0.192) 5.660 11.570 ( -0.820 0.000 6.234) 6.287 11.986 ( 8.759 0.000 -6.388) 10.841 12.171 ( 2.043 0.000 -2.574) 3.286 12.308 ( -0.430 0.000 -1.265) 1.336 12.633 ( -8.689 0.000 7.223) 11.299 12.955 ( 6.616 0.000 -0.447) 6.631 13.537 ( -11.697 0.000 2.598) 11.982 14.050 ( 0.712 0.000 -6.941) 6.977 14.298 ( -3.982 0.000 -5.031) 6.417======================= Grid point 93 (31/140) =======================q-point: ( 0.33 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 24.710 0.000 11.928) 27.438 1.560 ( 23.931 0.000 9.955) 25.919 2.103 ( 14.551 0.000 7.727) 16.475 2.381 ( -14.336 0.000 0.835) 14.360 2.383 ( -6.073 0.000 2.737) 6.661 2.664 ( -5.910 0.000 0.406) 5.924 3.614 ( 22.237 0.000 -5.308) 22.861 4.061 ( 1.727 0.000 -1.545) 2.317 4.195 ( -4.437 0.000 -2.682) 5.185 4.316 ( 30.977 0.000 26.362) 40.676 4.547 ( -20.868 0.000 -10.481) 23.353 5.894 ( -26.091 0.000 10.559) 28.147 6.260 ( 7.195 0.000 -5.416) 9.005 6.275 ( 6.545 0.000 -2.459) 6.992 6.537 ( -4.888 0.000 -2.419) 5.454 6.630 ( 0.565 0.000 -20.649) 20.656 7.461 ( 5.155 0.000 11.599) 12.693 7.874 ( -10.066 0.000 -4.641) 11.084 9.448 ( 0.059 0.000 9.764) 9.764 9.554 ( -3.614 0.000 7.744) 8.546 9.598 ( 3.608 0.000 2.869) 4.610 9.821 ( -6.597 0.000 2.652) 7.110 10.202 ( 14.674 0.000 3.948) 15.195 10.575 ( 1.471 0.000 0.797) 1.673 10.890 ( 10.728 0.000 2.307) 10.973 11.020 ( -3.371 0.000 0.364) 3.390 11.332 ( -9.083 0.000 0.274) 9.087 11.342 ( -14.713 0.000 11.767) 18.840 12.220 ( 2.335 0.000 -2.262) 3.251 12.225 ( 10.406 0.000 -5.368) 11.709 12.293 ( -1.010 0.000 -1.519) 1.824 12.504 ( -4.426 0.000 1.212) 4.589 13.113 ( 7.874 0.000 0.061) 7.874 13.389 ( -4.927 0.000 -3.157) 5.851 14.071 ( 1.348 0.000 -7.099) 7.226 14.197 ( -4.839 0.000 -5.848) 7.590======================= Grid point 94 (32/140) =======================q-point: (-0.50 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.997 ( -16.636 0.000 4.010) 17.112 1.997 ( 16.636 0.000 4.010) 17.112 2.004 ( -20.977 0.000 4.953) 21.553 2.004 ( 20.977 0.000 4.953) 21.553 2.495 ( -9.779 0.000 2.492) 10.092 2.495 ( 9.779 0.000 2.492) 10.092 4.078 ( -22.030 0.000 -8.145) 23.488 4.078 ( 22.030 0.000 -8.145) 23.488 4.113 ( -3.190 0.000 -1.931) 3.728 4.113 ( 3.190 0.000 -1.931) 3.728 5.122 ( -40.719 0.000 23.914) 47.222 5.122 ( 40.719 0.000 23.914) 47.222 6.415 ( -6.426 0.000 -2.582) 6.926 6.415 ( 6.426 0.000 -2.582) 6.926 6.513 ( -11.307 0.000 -14.574) 18.446 6.513 ( 11.307 0.000 -14.574) 18.446 7.643 ( -10.990 0.000 1.085) 11.043 7.643 ( 10.990 0.000 1.085) 11.043 9.483 ( -2.802 0.000 8.355) 8.812 9.483 ( 2.802 0.000 8.355) 8.812 9.693 ( -5.345 0.000 2.942) 6.101 9.693 ( 5.345 0.000 2.942) 6.101 10.484 ( -10.328 0.000 1.076) 10.384 10.484 ( 10.328 0.000 1.076) 10.384 11.073 ( -8.856 0.000 7.298) 11.476 11.073 ( 8.856 0.000 7.298) 11.476 11.120 ( -10.690 0.000 1.114) 10.748 11.120 ( 10.690 0.000 1.114) 10.748 12.264 ( -1.737 0.000 -1.882) 2.561 12.264 ( 1.737 0.000 -1.882) 2.561 12.399 ( -6.198 0.000 -2.471) 6.672 12.399 ( 6.198 0.000 -2.471) 6.672 13.271 ( -6.629 0.000 -1.787) 6.866 13.271 ( 6.629 0.000 -1.787) 6.866 14.114 ( -2.891 0.000 -6.837) 7.424 14.114 ( 2.891 0.000 -6.837) 7.424======================= Grid point 98 (33/140) =======================q-point: ( 0.00 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( 0.000 19.866 23.148) 30.504 0.984 ( 0.000 22.720 24.013) 33.058 1.613 ( 0.000 37.221 33.173) 49.858 2.613 ( 0.000 0.876 -0.330) 0.936 2.658 ( 0.000 0.855 -4.924) 4.998 2.733 ( 0.000 5.230 -0.852) 5.299 2.969 ( 0.000 0.660 11.584) 11.603 3.755 ( 0.000 -0.189 14.913) 14.914 4.181 ( 0.000 13.249 1.341) 13.317 4.468 ( 0.000 13.608 -4.253) 14.258 5.015 ( 0.000 3.963 -8.839) 9.687 5.917 ( 0.000 -2.973 -9.395) 9.854 5.925 ( 0.000 -7.442 -16.563) 18.158 6.316 ( 0.000 12.598 -6.202) 14.042 6.746 ( 0.000 8.562 -4.740) 9.786 7.158 ( 0.000 -0.790 11.605) 11.632 7.203 ( 0.000 1.619 18.923) 18.992 8.027 ( 0.000 -8.652 -6.675) 10.927 9.426 ( 0.000 -9.590 9.441) 13.457 9.560 ( 0.000 -6.994 6.975) 9.878 9.641 ( 0.000 5.966 5.758) 8.292 9.769 ( 0.000 -0.350 7.473) 7.481 10.193 ( 0.000 -2.044 -12.414) 12.581 10.518 ( 0.000 -5.523 3.944) 6.787 10.777 ( 0.000 18.439 -8.988) 20.513 11.296 ( 0.000 8.432 -2.381) 8.761 11.411 ( 0.000 3.892 -0.370) 3.909 11.518 ( 0.000 -2.321 3.310) 4.043 11.640 ( 0.000 -17.670 0.272) 17.672 12.074 ( 0.000 -16.561 14.922) 22.292 12.472 ( 0.000 19.929 -3.724) 20.273 12.795 ( 0.000 0.116 -0.920) 0.928 12.953 ( 0.000 8.512 -2.075) 8.761 13.595 ( 0.000 -12.669 4.284) 13.374 14.007 ( 0.000 -3.113 -6.995) 7.656 14.291 ( 0.000 -4.894 -5.404) 7.290======================= Grid point 99 (34/140) =======================q-point: ( 0.17 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( 19.126 17.936 16.879) 31.184 1.219 ( 19.300 15.727 17.110) 30.210 1.854 ( 18.932 25.256 21.243) 38.047 2.542 ( -5.861 0.927 0.011) 5.934 2.655 ( -6.616 3.860 0.389) 7.669 2.734 ( 1.197 1.509 -3.871) 4.324 3.174 ( 19.266 1.479 4.853) 19.923 3.854 ( 9.761 0.236 16.061) 18.796 4.199 ( 2.604 14.614 3.731) 15.306 4.421 ( -4.172 13.063 -3.521) 14.158 4.931 ( -10.022 3.119 -10.409) 14.782 5.904 ( 1.778 -5.167 -13.439) 14.507 6.052 ( 8.041 -5.141 -8.392) 12.708 6.432 ( 9.516 12.083 -10.995) 18.906 6.704 ( -4.702 8.108 -2.399) 9.675 6.823 ( -19.211 3.509 11.968) 22.905 7.338 ( 3.310 -3.175 15.675) 16.332 7.964 ( -5.635 -7.992 -5.808) 11.374 9.403 ( -1.592 -7.566 10.165) 12.771 9.524 ( -2.572 -7.416 6.348) 10.095 9.609 ( -0.601 4.045 4.753) 6.270 9.931 ( 10.920 2.048 4.727) 12.074 10.028 ( -8.952 1.022 -2.134) 9.259 10.559 ( 2.857 -3.264 3.066) 5.312 10.746 ( 1.365 11.838 -1.245) 11.982 11.146 ( -6.010 1.968 -1.197) 6.437 11.381 ( -9.423 -9.780 1.764) 13.695 11.563 ( -6.155 -4.868 9.386) 12.235 11.761 ( 13.819 -8.084 -5.158) 16.821 12.127 ( 3.656 -9.350 5.139) 11.278 12.496 ( 2.270 19.456 -4.019) 19.996 12.750 ( -3.028 5.964 0.368) 6.699 13.022 ( 5.460 6.540 -1.616) 8.672 13.494 ( -5.757 -3.297 -0.869) 6.691 14.017 ( 0.708 -3.222 -6.914) 7.661 14.243 ( -4.086 -5.252 -5.185) 8.436======================= Grid point 100 (35/140) =======================q-point: ( 0.33 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( 20.111 10.440 9.775) 24.678 1.664 ( 21.560 10.328 9.561) 25.747 2.205 ( 8.705 10.156 4.519) 14.119 2.401 ( -4.126 2.307 2.994) 5.596 2.447 ( -12.718 5.622 2.823) 14.188 2.685 ( -5.151 2.712 -0.271) 5.827 3.659 ( 23.075 4.687 -4.705) 24.011 4.098 ( 7.999 3.278 4.421) 9.709 4.312 ( -5.611 11.211 -2.208) 12.730 4.434 ( 25.361 13.016 20.103) 34.882 4.595 ( -19.502 5.224 -9.213) 22.192 5.850 ( -18.244 -2.379 6.025) 19.359 6.224 ( 9.948 -3.154 -7.011) 12.572 6.403 ( -5.256 8.946 0.870) 10.412 6.602 ( -1.017 6.472 -7.493) 9.953 6.673 ( -0.855 6.012 -12.784) 14.153 7.397 ( 4.764 -5.636 12.580) 14.585 7.801 ( -9.503 -6.758 -3.227) 12.099 9.387 ( 0.381 -5.753 9.015) 10.701 9.467 ( -2.687 -7.573 6.797) 10.525 9.632 ( 2.544 2.509 3.357) 4.903 9.836 ( -7.032 0.157 1.835) 7.270 10.240 ( 15.009 3.718 3.319) 15.815 10.639 ( 3.495 2.825 1.974) 4.909 10.790 ( 0.797 -3.727 0.492) 3.843 11.058 ( -0.748 0.780 2.191) 2.443 11.149 ( -11.379 -11.191 3.852) 16.419 11.372 ( -10.105 -2.769 7.643) 12.969 11.991 ( 8.190 -8.414 -2.366) 11.978 12.169 ( -0.163 -5.292 -0.192) 5.298 12.562 ( 3.630 17.577 -3.510) 18.288 12.693 ( -2.460 11.314 -0.652) 11.597 13.156 ( 6.854 4.394 -1.090) 8.214 13.400 ( -3.917 1.415 -5.063) 6.556 14.035 ( 1.059 -3.533 -7.053) 7.959 14.144 ( -4.584 -5.315 -5.759) 9.079======================= Grid point 101 (36/140) =======================q-point: (-0.50 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.000 ( -6.235 3.018 4.550) 8.288 2.000 ( 6.235 3.018 4.550) 8.288 2.142 ( -9.302 9.441 4.556) 14.015 2.142 ( 9.302 9.441 4.556) 14.015 2.534 ( -8.845 4.592 1.924) 10.150 2.534 ( 8.845 4.592 1.924) 10.150 4.110 ( -18.152 4.391 -6.078) 19.640 4.110 ( 18.152 4.391 -6.078) 19.640 4.231 ( -6.353 10.438 -2.138) 12.405 4.231 ( 6.353 10.438 -2.138) 12.405 5.175 ( -38.225 6.063 21.231) 44.144 5.175 ( 38.225 6.063 21.231) 44.144 6.410 ( -2.731 -1.615 -10.464) 10.934 6.410 ( 2.731 -1.615 -10.464) 10.934 6.587 ( -4.835 8.453 -5.880) 11.376 6.587 ( 4.835 8.453 -5.880) 11.376 7.577 ( -10.937 -6.084 2.424) 12.748 7.577 ( 10.937 -6.084 2.424) 12.748 9.416 ( -2.061 -6.351 7.698) 10.190 9.416 ( 2.061 -6.351 7.698) 10.190 9.711 ( -4.856 1.047 2.939) 5.772 9.711 ( 4.856 1.047 2.939) 5.772 10.539 ( -11.999 5.194 0.627) 13.090 10.539 ( 11.999 5.194 0.627) 13.090 10.896 ( -9.739 -11.225 4.622) 15.563 10.896 ( 9.739 -11.225 4.622) 15.563 11.172 ( -8.158 -0.076 4.031) 9.100 11.172 ( 8.158 -0.076 4.031) 9.100 12.121 ( -4.205 -6.445 -1.350) 7.813 12.121 ( 4.205 -6.445 -1.350) 7.813 12.636 ( -3.109 14.522 -2.160) 15.007 12.636 ( 3.109 14.522 -2.160) 15.007 13.297 ( -6.005 2.936 -3.163) 7.395 13.297 ( 6.005 2.936 -3.163) 7.395 14.069 ( -2.386 -4.459 -6.776) 8.455 14.069 ( 2.386 -4.459 -6.776) 8.455======================= Grid point 105 (37/140) =======================q-point: ( 0.00 0.15 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( 0.000 21.416 10.903) 24.032 1.468 ( 0.000 24.116 11.950) 26.915 2.332 ( 0.000 32.094 11.504) 34.094 2.644 ( 0.000 2.338 -0.493) 2.389 2.686 ( 0.000 1.905 -4.535) 4.919 2.872 ( 0.000 8.855 1.857) 9.047 3.012 ( 0.000 4.426 11.653) 12.466 3.866 ( 0.000 10.684 9.274) 14.148 4.567 ( 0.000 26.811 7.159) 27.750 4.810 ( 0.000 19.440 -5.601) 20.230 5.135 ( 0.000 8.676 -4.243) 9.658 5.812 ( 0.000 -3.773 -13.092) 13.625 5.835 ( 0.000 -5.222 -9.297) 10.663 6.507 ( 0.000 5.857 4.172) 7.190 6.948 ( 0.000 11.343 -7.115) 13.390 7.142 ( 0.000 -0.532 9.394) 9.409 7.320 ( 0.000 10.751 8.451) 13.675 7.824 ( 0.000 -10.975 -2.426) 11.240 9.251 ( 0.000 -8.929 7.754) 11.826 9.377 ( 0.000 -10.983 8.805) 14.076 9.769 ( 0.000 0.420 6.661) 6.674 9.796 ( 0.000 7.658 -0.188) 7.660 10.078 ( 0.000 -7.610 -4.299) 8.740 10.399 ( 0.000 -6.308 2.507) 6.788 10.940 ( 0.000 1.232 -3.521) 3.731 11.220 ( 0.000 -16.519 -3.040) 16.796 11.354 ( 0.000 -7.864 1.500) 8.006 11.569 ( 0.000 1.552 4.892) 5.132 11.582 ( 0.000 11.276 2.122) 11.474 11.884 ( 0.000 0.303 10.872) 10.876 12.782 ( 0.000 2.572 -2.018) 3.269 12.852 ( 0.000 14.190 -3.587) 14.636 13.145 ( 0.000 10.061 -5.127) 11.292 13.424 ( 0.000 -6.124 -0.088) 6.125 13.928 ( 0.000 -4.616 -6.665) 8.107 14.163 ( 0.000 -7.784 -6.681) 10.258======================= Grid point 106 (38/140) =======================q-point: ( 0.17 0.15 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.545 ( 13.372 16.360 8.879) 22.920 1.602 ( 11.553 20.025 10.471) 25.380 2.385 ( 4.485 24.475 6.569) 25.735 2.574 ( -5.398 2.201 -0.003) 5.829 2.708 ( -2.910 2.832 1.777) 4.432 2.836 ( -1.148 8.170 -0.716) 8.281 3.258 ( 22.268 7.529 6.708) 24.445 3.951 ( 8.137 9.534 9.960) 16.009 4.613 ( 4.919 27.964 8.278) 29.575 4.746 ( -5.823 18.228 -4.134) 19.577 5.051 ( -8.951 9.519 -4.974) 13.981 5.819 ( 3.681 -3.281 -11.346) 12.371 5.948 ( 7.491 -5.415 -8.449) 12.523 6.596 ( 5.983 4.225 0.108) 7.325 6.911 ( -4.668 11.732 -4.901) 13.545 6.961 ( -11.621 9.363 6.134) 16.135 7.314 ( -2.035 2.593 10.330) 10.843 7.776 ( -4.416 -10.215 -1.758) 11.266 9.244 ( -0.436 -8.711 7.965) 11.811 9.343 ( -2.662 -10.523 7.726) 13.324 9.679 ( -2.062 2.726 4.018) 5.275 9.926 ( -3.523 -5.641 -2.942) 7.272 10.053 ( 8.691 5.023 4.076) 10.834 10.439 ( 3.206 -7.132 2.725) 8.281 10.918 ( -1.465 2.178 -2.849) 3.874 11.104 ( -6.837 -11.313 -0.591) 13.232 11.306 ( -14.166 9.391 4.041) 17.470 11.375 ( -2.789 -11.140 5.808) 12.869 11.676 ( 7.494 -4.035 2.871) 8.982 12.070 ( 8.009 3.074 3.585) 9.297 12.801 ( 1.655 3.259 -1.930) 4.134 12.863 ( 0.888 13.942 -3.074) 14.305 13.186 ( 3.435 9.352 -4.085) 10.768 13.432 ( 1.017 -2.982 -4.357) 5.377 13.936 ( 0.581 -4.618 -6.698) 8.157 14.108 ( -4.662 -8.052 -6.079) 11.114======================= Grid point 107 (39/140) =======================q-point: ( 0.33 0.15 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 14.302 9.678 5.435) 18.104 1.890 ( 14.253 11.606 8.310) 20.172 2.403 ( -6.782 6.476 -0.842) 9.416 2.483 ( -3.809 4.900 2.237) 6.597 2.607 ( -0.837 13.116 7.068) 14.922 2.796 ( -3.333 8.450 -0.748) 9.114 3.801 ( 24.762 9.726 -2.816) 26.752 4.198 ( 13.646 7.600 8.833) 17.944 4.574 ( -10.162 13.774 -2.867) 17.355 4.767 ( -15.790 13.173 -3.444) 20.850 4.841 ( 18.417 27.533 12.517) 35.411 5.851 ( -8.103 2.910 -1.088) 8.678 6.137 ( 10.978 -5.573 -7.523) 14.428 6.495 ( -11.074 1.755 -5.915) 12.677 6.842 ( -1.213 15.954 -0.842) 16.022 6.870 ( -0.175 13.356 -6.569) 14.885 7.277 ( 1.786 -5.877 12.431) 13.865 7.641 ( -8.284 -8.755 0.270) 12.057 9.241 ( 0.284 -8.690 7.808) 11.685 9.289 ( -2.101 -10.027 6.854) 12.327 9.671 ( 0.898 1.232 3.552) 3.865 9.798 ( -5.381 -4.033 1.359) 6.860 10.327 ( 13.793 3.946 1.724) 14.450 10.536 ( 6.041 -8.405 4.157) 11.154 10.844 ( -6.920 -1.868 -2.423) 7.566 10.984 ( -7.145 0.146 3.868) 8.126 11.066 ( -4.471 1.505 2.322) 5.258 11.256 ( -7.022 -8.065 5.653) 12.096 11.864 ( 9.068 -5.398 0.462) 10.563 12.130 ( -1.658 0.390 1.478) 2.255 12.842 ( 1.890 5.764 -1.191) 6.182 12.879 ( 0.318 12.493 -1.827) 12.630 13.277 ( 5.102 7.247 -3.815) 9.648 13.451 ( -0.311 3.514 -8.327) 9.043 13.944 ( 0.141 -5.363 -6.918) 8.755 14.003 ( -4.288 -8.555 -5.579) 11.077======================= Grid point 108 (40/140) =======================q-point: (-0.50 0.15 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( -3.272 4.700 4.068) 7.025 2.083 ( 3.272 4.700 4.068) 7.025 2.310 ( -5.264 7.185 3.967) 9.750 2.310 ( 5.264 7.185 3.967) 9.750 2.698 ( -5.554 11.678 1.502) 13.019 2.698 ( 5.554 11.678 1.502) 13.019 4.253 ( -17.856 10.123 -4.354) 20.983 4.253 ( 17.856 10.123 -4.354) 20.983 4.477 ( -10.818 13.487 2.197) 17.428 4.477 ( 10.818 13.487 2.197) 17.428 5.392 ( -29.481 16.732 12.839) 36.248 5.392 ( 29.481 16.732 12.839) 36.248 6.351 ( -6.934 -4.108 -12.790) 15.118 6.351 ( 6.934 -4.108 -12.790) 15.118 6.826 ( -2.064 15.021 -1.580) 15.244 6.826 ( 2.064 15.021 -1.580) 15.244 7.435 ( -10.499 -7.787 4.834) 13.937 7.435 ( 10.499 -7.787 4.834) 13.937 9.256 ( -1.104 -9.336 7.171) 11.824 9.256 ( 1.104 -9.336 7.171) 11.824 9.711 ( -2.928 -1.176 2.924) 4.302 9.711 ( 2.928 -1.176 2.924) 4.302 10.582 ( -8.228 -6.506 1.170) 10.554 10.582 ( 8.228 -6.506 1.170) 10.554 10.777 ( -7.569 4.547 2.823) 9.271 10.777 ( 7.569 4.547 2.823) 9.271 11.117 ( -5.521 -4.911 3.369) 8.121 11.117 ( 5.521 -4.911 3.369) 8.121 12.035 ( -6.713 -3.177 0.489) 7.443 12.035 ( 6.713 -3.177 0.489) 7.443 12.872 ( -0.905 9.296 -0.963) 9.390 12.872 ( 0.905 9.296 -0.963) 9.390 13.391 ( -4.973 6.266 -6.345) 10.210 13.391 ( 4.973 6.266 -6.345) 10.210 13.950 ( -0.896 -7.210 -6.500) 9.748 13.950 ( 0.896 -7.210 -6.500) 9.748======================= Grid point 112 (41/140) =======================q-point: ( 0.00 0.23 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 0.000 14.629 3.744) 15.101 1.871 ( 0.000 16.399 6.554) 17.660 2.668 ( 0.000 3.026 1.826) 3.534 2.726 ( 0.000 2.026 -2.665) 3.348 2.823 ( 0.000 15.430 -3.750) 15.879 3.078 ( 0.000 11.627 5.272) 12.767 3.170 ( 0.000 12.146 9.344) 15.325 4.152 ( 0.000 18.187 3.169) 18.461 5.118 ( 0.000 9.836 -8.384) 12.924 5.211 ( 0.000 37.009 9.881) 38.305 5.385 ( 0.000 15.829 2.124) 15.971 5.738 ( 0.000 -3.046 -7.055) 7.685 5.785 ( 0.000 1.497 -7.486) 7.635 6.545 ( 0.000 -1.238 9.918) 9.995 7.131 ( 0.000 4.754 -12.668) 13.530 7.151 ( 0.000 1.959 4.886) 5.264 7.571 ( 0.000 8.142 4.275) 9.196 7.687 ( 0.000 4.882 1.995) 5.274 9.068 ( 0.000 -9.707 6.016) 11.419 9.156 ( 0.000 -11.052 11.031) 15.615 9.776 ( 0.000 -10.635 -5.461) 11.955 9.784 ( 0.000 0.836 5.632) 5.694 10.057 ( 0.000 6.526 4.555) 7.958 10.276 ( 0.000 -6.270 1.156) 6.375 10.892 ( 0.000 -16.082 -0.538) 16.091 10.917 ( 0.000 -2.585 -0.367) 2.611 11.185 ( 0.000 -8.510 2.754) 8.945 11.528 ( 0.000 -3.083 5.518) 6.321 11.822 ( 0.000 12.174 0.482) 12.183 12.013 ( 0.000 9.033 4.982) 10.316 12.790 ( 0.000 -0.061 -0.364) 0.369 13.105 ( 0.000 9.263 -6.200) 11.147 13.232 ( 0.000 -4.529 -5.752) 7.321 13.411 ( 0.000 7.325 -2.279) 7.671 13.850 ( 0.000 -2.583 -5.925) 6.463 14.002 ( 0.000 -8.274 -7.898) 11.439======================= Grid point 113 (42/140) =======================q-point: ( 0.17 0.23 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.824 ( 7.440 11.637 3.200) 14.177 1.940 ( 5.997 13.811 6.469) 16.388 2.622 ( -4.605 2.626 0.197) 5.305 2.661 ( -3.883 4.591 -0.847) 6.072 2.865 ( 1.578 12.247 0.120) 12.349 3.027 ( -2.059 11.131 3.927) 11.982 3.462 ( 23.341 12.775 5.590) 27.190 4.217 ( 6.229 17.362 3.571) 18.788 5.050 ( -6.969 12.456 -6.787) 15.804 5.258 ( 2.758 31.682 7.861) 32.759 5.321 ( -5.017 20.497 5.515) 21.811 5.748 ( 4.896 -5.102 -8.234) 10.854 5.886 ( 7.215 1.328 -8.211) 11.011 6.641 ( 6.041 1.116 5.321) 8.127 7.046 ( -7.245 1.667 3.877) 8.384 7.118 ( -1.666 5.121 -8.255) 9.856 7.502 ( -6.869 12.622 2.609) 14.605 7.634 ( -4.421 0.581 4.092) 6.052 9.064 ( -0.179 -9.599 6.380) 11.528 9.135 ( -1.802 -10.225 9.796) 14.274 9.700 ( -2.998 -3.530 0.114) 4.632 9.778 ( -3.176 -5.398 2.509) 6.747 10.164 ( 8.734 4.661 3.257) 10.421 10.299 ( 2.176 -7.082 1.846) 7.636 10.830 ( -3.604 -9.548 -1.179) 10.273 10.935 ( 0.508 -4.331 1.238) 4.532 11.165 ( -2.436 -9.473 3.169) 10.282 11.540 ( -12.524 10.366 0.626) 16.270 11.600 ( 2.805 -1.761 4.779) 5.815 12.174 ( 4.558 6.231 4.170) 8.774 12.806 ( 2.569 -0.950 -0.956) 2.901 13.114 ( 0.491 9.619 -5.463) 11.073 13.331 ( 7.174 1.184 -6.827) 9.974 13.394 ( -0.038 2.687 -3.097) 4.101 13.859 ( 0.182 -2.749 -6.527) 7.085 13.947 ( -4.602 -7.714 -6.938) 11.350======================= Grid point 114 (43/140) =======================q-point: ( 0.33 0.23 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 9.365 6.703 2.377) 11.759 2.089 ( 7.123 8.103 5.750) 12.225 2.500 ( -5.984 4.535 -0.119) 7.510 2.556 ( -6.287 3.307 2.282) 7.461 2.893 ( 1.662 13.350 2.046) 13.608 2.987 ( -2.009 10.617 1.608) 10.924 4.025 ( 26.532 12.798 1.118) 29.478 4.415 ( 12.326 14.754 5.058) 19.880 4.835 ( -12.798 13.514 -3.698) 18.976 5.054 ( -14.521 14.315 4.646) 20.913 5.470 ( 13.379 34.549 6.937) 37.693 5.936 ( 7.028 1.179 -9.592) 11.949 6.037 ( 8.043 -0.728 -6.394) 10.301 6.555 ( -14.245 5.953 -3.590) 15.851 7.046 ( 5.012 -0.978 -2.191) 5.557 7.102 ( 3.736 4.864 5.403) 8.174 7.302 ( -10.632 15.113 0.646) 18.490 7.511 ( -7.419 -1.639 6.346) 9.900 9.064 ( 0.191 -9.165 6.801) 11.414 9.095 ( -1.608 -9.293 7.829) 12.257 9.662 ( -0.723 -4.707 2.108) 5.208 9.706 ( -2.821 -2.486 3.852) 5.383 10.319 ( 4.428 -5.276 0.649) 6.919 10.381 ( 4.556 -8.085 3.667) 9.979 10.794 ( 1.870 1.292 -0.440) 2.315 10.949 ( 1.068 -3.822 1.825) 4.368 11.085 ( -4.451 -7.983 2.759) 9.547 11.235 ( -13.782 11.069 1.076) 17.710 11.764 ( 9.562 -4.874 2.413) 11.000 12.145 ( -6.001 0.404 3.227) 6.826 12.903 ( 5.717 2.154 -0.557) 6.134 13.100 ( -2.329 9.597 -2.695) 10.236 13.392 ( 3.110 3.157 -5.984) 7.446 13.517 ( 5.423 2.845 -8.764) 10.692 13.804 ( -3.991 -9.326 -6.685) 12.149 13.877 ( -1.967 -2.624 -5.361) 6.285======================= Grid point 115 (44/140) =======================q-point: (-0.50 0.23 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.164 ( -2.697 3.413 2.926) 5.242 2.164 ( 2.697 3.413 2.926) 5.242 2.437 ( -2.424 6.096 2.689) 7.090 2.437 ( 2.424 6.096 2.689) 7.090 2.939 ( -2.422 11.858 1.383) 12.181 2.939 ( 2.422 11.858 1.383) 12.181 4.498 ( -17.730 14.591 -1.540) 23.014 4.498 ( 17.730 14.591 -1.540) 23.014 4.732 ( -15.038 12.687 5.530) 20.437 4.732 ( 15.038 12.687 5.530) 20.437 5.811 ( -15.854 23.728 0.978) 28.554 5.811 ( 15.854 23.728 0.978) 28.554 6.269 ( -11.395 -2.864 -8.568) 14.542 6.269 ( 11.395 -2.864 -8.568) 14.542 7.110 ( -5.525 8.565 -2.496) 10.493 7.110 ( 5.525 8.565 -2.496) 10.493 7.316 ( -10.692 0.463 8.149) 13.451 7.316 ( 10.692 0.463 8.149) 13.451 9.072 ( -0.630 -9.022 7.018) 11.448 9.072 ( 0.630 -9.022 7.018) 11.448 9.666 ( -1.056 -3.391 3.544) 5.017 9.666 ( 1.056 -3.391 3.544) 5.017 10.394 ( -2.597 -10.325 1.826) 10.802 10.394 ( 2.597 -10.325 1.826) 10.802 10.935 ( -8.302 6.167 0.349) 10.348 10.935 ( 8.302 6.167 0.349) 10.348 11.018 ( -2.182 -2.205 2.412) 3.929 11.018 ( 2.182 -2.205 2.412) 3.929 11.972 ( -9.542 -3.581 2.183) 10.423 11.972 ( 9.542 -3.581 2.183) 10.423 13.019 ( -4.924 6.451 -0.723) 8.147 13.019 ( 4.924 6.451 -0.723) 8.147 13.496 ( -5.506 2.848 -8.411) 10.449 13.496 ( 5.506 2.848 -8.411) 10.449 13.815 ( -3.585 -5.513 -5.680) 8.689 13.815 ( 3.585 -5.513 -5.680) 8.689======================= Grid point 119 (45/140) =======================q-point: ( 0.00 0.31 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 0.000 7.005 0.696) 7.039 2.108 ( 0.000 8.287 4.054) 9.225 2.711 ( 0.000 1.796 1.542) 2.367 2.762 ( 0.000 1.609 -0.960) 1.874 3.052 ( 0.000 8.930 -4.750) 10.114 3.275 ( 0.000 7.663 4.113) 8.697 3.481 ( 0.000 18.909 5.206) 19.613 4.559 ( 0.000 22.776 -2.790) 22.946 5.181 ( 0.000 -3.920 -5.792) 6.994 5.581 ( 0.000 5.165 -6.134) 8.019 5.732 ( 0.000 7.845 -6.684) 10.306 5.843 ( 0.000 11.966 6.401) 13.571 6.071 ( 0.000 33.665 13.040) 36.103 6.489 ( 0.000 -3.727 8.289) 9.088 7.066 ( 0.000 -9.557 -10.308) 14.057 7.239 ( 0.000 7.392 -1.997) 7.657 7.674 ( 0.000 7.848 5.721) 9.712 7.985 ( 0.000 16.870 0.697) 16.884 8.880 ( 0.000 -9.117 4.391) 10.120 8.962 ( 0.000 -8.447 13.839) 16.213 9.526 ( 0.000 -13.477 -1.986) 13.623 9.780 ( 0.000 -2.019 3.750) 4.259 10.160 ( 0.000 -5.272 0.180) 5.276 10.195 ( 0.000 6.419 4.431) 7.800 10.612 ( 0.000 -11.850 1.610) 11.958 10.854 ( 0.000 -3.716 -0.556) 3.758 11.042 ( 0.000 -5.887 2.594) 6.434 11.483 ( 0.000 -1.506 3.990) 4.265 12.041 ( 0.000 9.994 -0.557) 10.010 12.179 ( 0.000 7.537 4.280) 8.668 12.786 ( 0.000 -0.348 0.341) 0.487 13.094 ( 0.000 -7.978 -3.362) 8.657 13.197 ( 0.000 0.502 -7.532) 7.549 13.569 ( 0.000 7.105 -6.331) 9.516 13.845 ( 0.000 1.867 -5.176) 5.502 13.854 ( 0.000 -6.447 -7.810) 10.127======================= Grid point 120 (46/140) =======================q-point: ( 0.17 0.31 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( 4.619 6.154 0.617) 7.719 2.138 ( 2.578 6.767 4.091) 8.317 2.672 ( -3.484 2.324 0.938) 4.291 2.718 ( -3.744 2.273 -0.131) 4.381 3.068 ( 1.308 8.405 -3.299) 9.124 3.235 ( -2.319 8.875 4.117) 10.054 3.749 ( 22.074 16.624 4.174) 27.947 4.611 ( 4.838 22.093 -2.270) 22.730 5.227 ( 0.771 3.869 -5.395) 6.684 5.519 ( -4.421 5.780 2.056) 7.562 5.666 ( -4.031 0.659 -1.821) 4.472 5.875 ( 4.624 13.688 -6.895) 16.009 6.134 ( 5.340 30.156 10.040) 32.229 6.627 ( 10.559 -3.286 7.689) 13.468 7.062 ( -0.339 -9.116 -7.657) 11.910 7.110 ( -11.130 6.894 -2.406) 13.311 7.657 ( -1.990 9.126 6.169) 11.193 7.911 ( -6.892 18.223 0.595) 19.492 8.875 ( 0.034 -9.380 5.157) 10.704 8.960 ( -0.429 -7.428 12.143) 14.241 9.506 ( -1.187 -12.063 -0.353) 12.126 9.768 ( -1.804 0.180 3.962) 4.357 10.161 ( 0.189 -6.945 0.760) 6.989 10.189 ( 0.148 -2.498 3.330) 4.165 10.692 ( 6.762 -3.227 0.987) 7.557 10.855 ( 0.164 -4.237 0.108) 4.242 11.016 ( -2.322 -5.737 2.454) 6.658 11.528 ( 4.305 -2.364 3.389) 5.967 11.770 ( -15.660 9.678 0.464) 18.415 12.286 ( -1.289 4.843 4.479) 6.721 12.777 ( 4.150 -1.907 -1.517) 4.813 13.212 ( 1.481 0.481 -7.356) 7.519 13.271 ( 12.672 -3.936 -3.562) 13.739 13.509 ( -4.782 6.354 -5.429) 9.629 13.780 ( -5.329 -5.790 -8.506) 11.588 13.880 ( 1.043 1.092 -4.916) 5.143======================= Grid point 121 (47/140) =======================q-point: ( 0.33 0.31 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( 6.183 4.214 0.731) 7.518 2.201 ( 2.784 3.567 3.598) 5.781 2.586 ( -3.893 3.969 0.664) 5.599 2.621 ( -4.882 3.395 1.364) 6.101 3.100 ( 1.708 8.275 -1.193) 8.533 3.186 ( -2.253 8.844 2.772) 9.538 4.294 ( 26.744 14.597 3.902) 30.717 4.761 ( 9.195 19.793 -0.682) 21.835 5.111 ( -10.517 14.264 -1.930) 17.826 5.293 ( -14.355 10.089 6.966) 18.878 5.818 ( 13.420 -7.636 -7.517) 17.173 5.995 ( 5.861 9.062 -12.265) 16.337 6.265 ( 6.600 26.228 5.000) 27.504 6.769 ( -10.617 14.981 -2.024) 18.473 6.892 ( 3.967 -10.632 6.301) 12.980 7.059 ( -0.131 -7.820 -1.340) 7.936 7.591 ( -3.542 13.140 5.314) 14.609 7.723 ( -9.497 19.101 1.827) 21.410 8.890 ( 1.130 -8.403 5.862) 10.307 8.941 ( -1.205 -6.380 8.962) 11.067 9.508 ( 1.869 -9.119 2.926) 9.758 9.693 ( -4.964 -0.440 4.800) 6.919 10.176 ( 1.110 -10.272 0.597) 10.349 10.199 ( 0.379 -8.046 1.726) 8.238 10.848 ( 3.629 -0.588 0.155) 3.680 10.874 ( 3.902 -1.809 1.421) 4.529 10.971 ( 0.292 -1.880 2.051) 2.797 11.440 ( -14.613 9.377 -0.019) 17.363 11.674 ( 8.710 -4.192 3.044) 10.134 12.130 ( -10.710 -1.981 3.383) 11.404 12.949 ( 9.692 2.718 -1.223) 10.140 13.240 ( -0.403 3.319 -5.428) 6.375 13.408 ( -1.983 0.837 -5.802) 6.188 13.548 ( 11.237 -0.039 -5.595) 12.553 13.636 ( -7.239 -6.907 -7.524) 12.519 13.870 ( -2.459 0.933 -5.112) 5.749======================= Grid point 122 (48/140) =======================q-point: (-0.50 0.31 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.218 ( -2.151 2.094 1.840) 3.522 2.218 ( 2.151 2.094 1.840) 3.522 2.547 ( -1.063 4.940 1.597) 5.300 2.547 ( 1.063 4.940 1.597) 5.300 3.140 ( -2.067 8.532 0.831) 8.818 3.140 ( 2.067 8.532 0.831) 8.818 4.797 ( -19.544 15.026 2.656) 24.796 4.797 ( 19.544 15.026 2.656) 24.796 4.995 ( -12.775 14.753 2.506) 19.676 4.995 ( 12.775 14.753 2.506) 19.676 6.037 ( -4.446 -2.679 -12.426) 13.467 6.037 ( 4.446 -2.679 -12.426) 13.467 6.457 ( -13.148 21.912 1.025) 25.575 6.457 ( 13.148 21.912 1.025) 25.575 7.023 ( -4.289 -9.207 4.350) 11.049 7.023 ( 4.289 -9.207 4.350) 11.049 7.573 ( -3.367 17.867 3.618) 18.538 7.573 ( 3.367 17.867 3.618) 18.538 8.915 ( -1.217 -6.896 6.785) 9.750 8.915 ( 1.217 -6.896 6.785) 9.750 9.583 ( -4.830 -4.945 4.792) 8.411 9.583 ( 4.830 -4.945 4.792) 8.411 10.197 ( -0.616 -9.745 0.721) 9.791 10.197 ( 0.616 -9.745 0.721) 9.791 10.879 ( -1.535 -4.844 1.495) 5.296 10.879 ( 1.535 -4.844 1.495) 5.296 11.150 ( -12.518 8.591 0.401) 15.188 11.150 ( 12.518 8.591 0.401) 15.188 11.891 ( -11.251 -4.611 2.656) 12.446 11.891 ( 11.251 -4.611 2.656) 12.446 13.139 ( -7.779 5.753 -1.960) 9.872 13.139 ( 7.779 5.753 -1.960) 9.872 13.470 ( -6.502 -4.284 -8.179) 11.293 13.470 ( 6.502 -4.284 -8.179) 11.293 13.764 ( -7.588 -0.423 -4.986) 9.089 13.764 ( 7.588 -0.423 -4.986) 9.089======================= Grid point 126 (49/140) =======================q-point: ( 0.00 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( 0.000 2.618 -0.098) 2.620 2.217 ( 0.000 3.354 2.684) 4.296 2.740 ( 0.000 1.117 1.670) 2.010 2.789 ( 0.000 1.175 -0.423) 1.249 3.190 ( 0.000 5.314 -3.957) 6.626 3.379 ( 0.000 3.388 3.143) 4.621 3.878 ( 0.000 20.886 1.136) 20.916 4.997 ( 0.000 -13.291 -5.201) 14.273 5.009 ( 0.000 22.216 -7.435) 23.427 5.703 ( 0.000 6.825 -1.944) 7.096 5.817 ( 0.000 2.480 -4.294) 4.958 6.025 ( 0.000 5.469 8.280) 9.923 6.394 ( 0.000 -2.873 -0.041) 2.873 6.691 ( 0.000 13.157 5.159) 14.132 6.898 ( 0.000 3.785 6.971) 7.933 7.431 ( 0.000 11.135 -8.374) 13.932 7.831 ( 0.000 7.244 3.985) 8.267 8.265 ( 0.000 10.676 3.512) 11.239 8.727 ( 0.000 -6.021 1.164) 6.133 8.836 ( 0.000 -4.327 17.190) 17.727 9.277 ( 0.000 -11.388 -0.377) 11.394 9.681 ( 0.000 -7.780 0.655) 7.807 10.079 ( 0.000 -2.965 0.790) 3.068 10.296 ( 0.000 3.930 5.730) 6.948 10.449 ( 0.000 -4.755 3.334) 5.807 10.781 ( 0.000 -3.358 -2.055) 3.937 10.952 ( 0.000 -3.500 3.559) 4.991 11.467 ( 0.000 -0.260 2.650) 2.663 12.206 ( 0.000 6.713 -1.478) 6.874 12.305 ( 0.000 5.353 3.237) 6.255 12.777 ( 0.000 -0.574 0.991) 1.145 12.945 ( 0.000 -6.832 -2.200) 7.178 13.165 ( 0.000 -2.627 -7.910) 8.334 13.644 ( 0.000 -0.427 -11.355) 11.363 13.784 ( 0.000 0.338 -4.270) 4.283 13.896 ( 0.000 2.687 -5.133) 5.793======================= Grid point 127 (50/140) =======================q-point: ( 0.17 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( 4.007 2.599 -0.128) 4.778 2.224 ( 0.710 2.590 2.633) 3.761 2.709 ( -2.684 1.409 1.535) 3.398 2.758 ( -2.766 1.775 -0.213) 3.293 3.200 ( 0.951 5.154 -3.277) 6.181 3.359 ( -1.639 4.067 2.877) 5.244 4.101 ( 19.227 18.706 1.492) 26.867 5.044 ( 3.536 20.310 -6.648) 21.661 5.140 ( 11.721 -9.793 -4.866) 16.030 5.658 ( -4.547 8.960 0.171) 10.049 5.722 ( -7.030 3.120 1.303) 7.801 6.030 ( 1.051 4.817 -3.076) 5.811 6.487 ( 6.389 -6.558 -0.631) 9.178 6.703 ( 0.987 7.935 5.829) 9.895 6.916 ( 1.632 6.751 8.761) 11.180 7.315 ( -9.142 12.351 -7.729) 17.201 7.840 ( 0.216 8.483 4.905) 9.802 8.234 ( -3.947 14.001 1.471) 14.621 8.709 ( -0.242 -7.363 3.119) 8.000 8.848 ( 0.589 -3.987 14.675) 15.219 9.276 ( 0.510 -10.763 1.151) 10.836 9.724 ( 2.801 -5.246 0.824) 6.004 10.047 ( -6.897 -3.813 2.208) 8.184 10.108 ( -4.721 -4.442 3.774) 7.501 10.688 ( 13.471 1.581 2.780) 13.846 10.778 ( -0.173 -3.336 -1.471) 3.649 10.930 ( -1.631 -3.364 3.415) 5.063 11.496 ( 2.878 -0.945 2.469) 3.908 11.927 ( -15.491 6.184 -0.028) 16.680 12.357 ( -9.797 2.416 3.134) 10.566 12.738 ( 9.438 -1.854 -1.736) 9.774 13.175 ( 1.120 -2.948 -7.836) 8.447 13.208 ( 15.177 -2.340 -1.636) 15.443 13.592 ( -4.540 0.168 -10.666) 11.593 13.714 ( -5.699 0.967 -4.346) 7.231 13.911 ( 0.263 1.250 -5.028) 5.188======================= Grid point 128 (51/140) =======================q-point: ( 0.33 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( 4.772 2.152 0.072) 5.235 2.244 ( 0.993 1.235 2.212) 2.721 2.646 ( -2.608 2.184 1.458) 3.701 2.685 ( -3.680 2.894 0.241) 4.688 3.229 ( 1.719 4.966 -1.707) 5.525 3.318 ( -2.155 4.639 1.848) 5.439 4.589 ( 24.502 15.134 2.581) 28.915 5.149 ( 6.051 18.356 -4.181) 19.774 5.337 ( 0.813 5.451 -2.898) 6.227 5.452 ( -11.888 6.652 5.093) 14.544 5.723 ( 8.674 1.263 -3.117) 9.303 6.046 ( -0.540 0.644 -9.058) 9.097 6.585 ( 2.524 -8.720 -8.092) 12.161 6.713 ( -1.364 -7.342 7.344) 10.474 6.962 ( 2.852 13.911 9.366) 17.011 7.133 ( -6.317 15.581 -1.452) 16.876 7.844 ( 0.934 12.049 4.671) 12.956 8.086 ( -8.992 16.895 0.690) 19.152 8.742 ( 2.808 -6.679 4.612) 8.588 8.843 ( -1.192 -3.790 9.816) 10.590 9.328 ( 4.828 -8.785 4.735) 11.087 9.680 ( -8.357 -0.804 5.489) 10.030 9.952 ( 1.680 -11.242 0.111) 11.368 10.072 ( -1.625 -5.417 0.653) 5.693 10.777 ( 0.485 -3.465 0.065) 3.499 10.844 ( -1.419 -1.909 2.496) 3.448 11.015 ( 12.341 3.544 1.910) 12.981 11.581 ( -3.907 2.148 0.014) 4.458 11.620 ( -3.938 1.598 2.354) 4.858 12.074 ( -14.066 -3.359 2.183) 14.625 13.003 ( 12.625 2.476 -2.327) 13.075 13.220 ( 3.111 -3.102 -7.188) 8.424 13.441 ( -2.609 -0.345 -7.509) 7.957 13.535 ( 7.858 -0.027 -3.468) 8.589 13.568 ( -6.677 0.577 -5.220) 8.495 13.879 ( -3.571 -0.373 -4.804) 5.997======================= Grid point 129 (52/140) =======================q-point: (-0.50 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.248 ( -1.292 1.070 1.081) 1.996 2.248 ( 1.292 1.070 1.081) 1.996 2.627 ( -1.180 3.173 0.975) 3.523 2.627 ( 1.180 3.173 0.975) 3.523 3.271 ( -2.167 4.877 0.168) 5.339 3.271 ( 2.167 4.877 0.168) 5.339 5.064 ( -19.289 12.304 3.498) 23.145 5.064 ( 19.289 12.304 3.498) 23.145 5.296 ( -6.285 14.270 -1.401) 15.655 5.296 ( 6.285 14.270 -1.401) 15.655 5.955 ( -8.911 -2.790 -7.391) 11.909 5.955 ( 8.911 -2.790 -7.391) 11.909 6.639 ( -3.685 -9.882 -4.563) 11.492 6.639 ( 3.685 -9.882 -4.563) 11.492 7.039 ( -3.884 14.897 8.000) 17.350 7.039 ( 3.884 14.897 8.000) 17.350 7.914 ( -6.097 16.130 2.505) 17.425 7.914 ( 6.097 16.130 2.505) 17.425 8.802 ( -2.532 -4.786 6.206) 8.236 8.802 ( 2.532 -4.786 6.206) 8.236 9.479 ( -9.019 -5.378 6.637) 12.422 9.479 ( 9.019 -5.378 6.637) 12.422 10.020 ( -3.288 -8.014 -0.492) 8.676 10.020 ( 3.288 -8.014 -0.492) 8.676 10.801 ( -1.779 -2.988 1.673) 3.859 10.801 ( 1.779 -2.988 1.673) 3.859 11.296 ( -13.733 6.174 0.678) 15.072 11.296 ( 13.733 6.174 0.678) 15.072 11.800 ( -11.442 -4.396 2.008) 12.421 11.800 ( 11.442 -4.396 2.008) 12.421 13.220 ( -6.617 1.474 -5.512) 8.738 13.220 ( 6.617 1.474 -5.512) 8.738 13.408 ( -5.200 -0.295 -5.337) 7.457 13.408 ( 5.200 -0.295 -5.337) 7.457 13.753 ( -8.432 -1.268 -4.300) 9.550 13.753 ( 8.432 -1.268 -4.300) 9.550======================= Grid point 133 (53/140) =======================q-point: ( 0.00 0.46 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.062 ( 0.000 0.622 -0.218) 0.659 2.255 ( 0.000 0.858 2.013) 2.188 2.755 ( 0.000 0.380 1.761) 1.802 2.806 ( 0.000 0.451 -0.384) 0.593 3.260 ( 0.000 1.769 -3.570) 3.985 3.419 ( 0.000 0.923 2.838) 2.985 4.269 ( 0.000 17.711 -2.499) 17.886 4.705 ( 0.000 -15.205 -3.356) 15.571 5.375 ( 0.000 12.937 -7.780) 15.097 5.813 ( 0.000 3.496 3.273) 4.789 5.814 ( 0.000 -2.520 -10.469) 10.768 6.073 ( 0.000 0.426 5.304) 5.321 6.378 ( 0.000 1.810 2.073) 2.752 6.570 ( 0.000 -8.591 0.465) 8.604 7.220 ( 0.000 11.650 12.604) 17.164 7.611 ( 0.000 5.608 -11.681) 12.957 7.942 ( 0.000 3.582 7.342) 8.170 8.372 ( 0.000 0.850 5.688) 5.751 8.668 ( 0.000 -0.247 -2.674) 2.685 8.790 ( 0.000 -0.722 20.170) 20.183 9.108 ( 0.000 -5.012 0.167) 5.014 9.535 ( 0.000 -5.158 -1.235) 5.303 10.039 ( 0.000 -1.096 1.464) 1.828 10.348 ( 0.000 1.338 6.920) 7.048 10.404 ( 0.000 -0.643 3.817) 3.871 10.733 ( 0.000 -1.352 -2.881) 3.183 10.904 ( 0.000 -1.296 4.183) 4.379 11.466 ( 0.000 0.067 1.790) 1.791 12.298 ( 0.000 2.436 -2.106) 3.220 12.382 ( 0.000 2.264 1.853) 2.926 12.767 ( 0.000 -0.335 1.450) 1.488 12.844 ( 0.000 -2.936 -1.215) 3.178 13.123 ( 0.000 -1.281 -7.909) 8.012 13.609 ( 0.000 -1.473 -11.848) 11.940 13.815 ( 0.000 1.277 -4.305) 4.490 13.934 ( 0.000 1.023 -5.288) 5.386======================= Grid point 134 (54/140) =======================q-point: ( 0.17 0.46 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.108 ( 4.040 0.679 -0.282) 4.107 2.254 ( -0.058 0.635 1.923) 2.026 2.727 ( -2.372 0.459 1.722) 2.967 2.783 ( -2.062 0.686 -0.267) 2.190 3.268 ( 0.818 1.740 -3.148) 3.689 3.407 ( -1.129 1.102 2.454) 2.917 4.449 ( 15.777 15.232 -2.151) 22.035 4.881 ( 15.315 -12.881 -3.026) 20.240 5.398 ( 2.011 11.751 -6.202) 13.438 5.755 ( -5.377 0.921 -5.126) 7.486 5.813 ( 0.187 4.574 1.880) 4.948 6.076 ( 0.486 -0.218 -1.541) 1.630 6.385 ( 0.033 -0.736 2.047) 2.175 6.552 ( -1.947 -9.709 1.934) 10.089 7.226 ( 0.605 10.601 10.989) 15.281 7.517 ( -7.189 6.471 -8.489) 12.869 7.965 ( 1.989 3.740 6.949) 8.138 8.431 ( 3.226 5.416 3.375) 7.151 8.600 ( -4.411 -3.193 -0.937) 5.525 8.801 ( 0.543 -1.011 16.983) 17.022 9.114 ( 1.225 -4.858 2.256) 5.494 9.607 ( 6.018 -4.509 -1.655) 7.700 10.016 ( -11.493 0.066 4.635) 12.393 10.040 ( -5.603 -2.299 3.270) 6.883 10.719 ( 9.836 0.940 1.616) 10.012 10.734 ( 5.761 -0.890 0.047) 5.829 10.881 ( -1.934 -1.545 3.974) 4.682 11.486 ( 2.008 -0.166 1.682) 2.624 12.009 ( -14.970 2.167 0.000) 15.126 12.384 ( -17.841 0.539 0.999) 17.877 12.712 ( 15.731 -0.697 -1.116) 15.786 13.129 ( 0.783 -1.378 -7.816) 7.975 13.180 ( 16.269 -0.620 -0.738) 16.298 13.558 ( -4.495 -1.524 -11.638) 12.569 13.768 ( -4.294 2.323 -4.011) 6.319 13.920 ( -1.549 -0.087 -4.970) 5.206======================= Grid point 135 (55/140) =======================q-point: ( 0.33 0.46 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.206 ( 4.297 0.632 -0.161) 4.346 2.258 ( 0.475 0.291 1.546) 1.643 2.674 ( -1.960 0.714 1.528) 2.586 2.725 ( -3.123 1.075 0.050) 3.303 3.294 ( 1.611 1.668 -1.933) 3.019 3.375 ( -1.817 1.371 1.349) 2.646 4.859 ( 21.085 10.912 -1.319) 23.778 5.240 ( 14.997 -7.090 -3.096) 16.875 5.447 ( 1.711 7.035 -1.699) 7.436 5.588 ( -10.449 5.347 -1.472) 11.829 5.855 ( 5.233 8.046 -0.897) 9.640 6.094 ( 0.763 3.647 -4.601) 5.920 6.356 ( -2.546 -7.698 -2.381) 8.451 6.472 ( -5.719 -13.115 3.483) 14.726 7.246 ( 1.340 8.574 7.295) 11.337 7.373 ( -5.533 7.149 -1.724) 9.203 8.031 ( 4.527 5.858 5.014) 8.942 8.351 ( -8.779 8.983 -0.170) 12.562 8.628 ( 5.070 -4.591 3.652) 7.754 8.789 ( -1.872 -1.619 9.882) 10.188 9.194 ( 6.694 -4.076 7.026) 10.525 9.673 ( -12.236 0.424 6.724) 13.968 9.772 ( 4.519 -6.148 -0.967) 7.692 9.995 ( -3.024 -2.176 0.192) 3.730 10.731 ( 0.738 -1.179 -0.300) 1.422 10.818 ( -2.848 -0.690 3.196) 4.336 11.065 ( 15.341 1.319 2.619) 15.619 11.562 ( 5.435 -0.864 1.280) 5.650 11.696 ( -14.628 2.623 0.708) 14.878 12.017 ( -15.869 -1.915 0.780) 16.003 13.035 ( 13.122 0.731 -3.769) 13.672 13.172 ( 3.820 -1.325 -6.380) 7.553 13.431 ( -3.689 0.263 -9.409) 10.110 13.499 ( 10.852 -2.080 -3.241) 11.515 13.638 ( -7.944 3.205 -3.337) 9.193 13.858 ( -4.579 -1.289 -4.168) 6.324======================= Grid point 136 (56/140) =======================q-point: (-0.50 0.46 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.261 ( -0.793 0.315 0.680) 1.091 2.261 ( 0.793 0.315 0.680) 1.091 2.669 ( -1.612 1.098 0.772) 2.098 2.669 ( 1.612 1.098 0.772) 2.098 3.333 ( -2.000 1.562 -0.260) 2.551 3.333 ( 2.000 1.562 -0.260) 2.551 5.275 ( -16.879 8.527 -0.310) 18.913 5.275 ( 16.879 8.527 -0.310) 18.913 5.443 ( -4.130 -0.291 -2.466) 4.819 5.443 ( 4.130 -0.291 -2.466) 4.819 6.033 ( -8.171 11.581 -1.666) 14.271 6.033 ( 8.171 11.581 -1.666) 14.271 6.349 ( -3.798 -16.561 -1.907) 17.098 6.349 ( 3.798 -16.561 -1.907) 17.098 7.288 ( -2.767 7.284 3.833) 8.684 7.288 ( 2.767 7.284 3.833) 8.684 8.164 ( -7.985 7.870 2.062) 11.400 8.164 ( 7.985 7.870 2.062) 11.400 8.727 ( -3.900 -2.555 5.506) 7.215 8.727 ( 3.900 -2.555 5.506) 7.215 9.394 ( -11.869 -2.645 8.537) 14.858 9.394 ( 11.869 -2.645 8.537) 14.858 9.902 ( -5.635 -3.400 -1.302) 6.709 9.902 ( 5.635 -3.400 -1.301) 6.709 10.762 ( -2.163 -0.977 1.812) 2.986 10.762 ( 2.163 -0.977 1.812) 2.986 11.384 ( -14.801 2.494 1.461) 15.081 11.384 ( 14.801 2.494 1.461) 15.081 11.733 ( -10.745 -2.054 0.932) 10.979 11.733 ( 10.745 -2.054 0.932) 10.979 13.210 ( -4.095 -1.009 -7.881) 8.939 13.210 ( 4.095 -1.009 -7.881) 8.939 13.448 ( -8.486 2.351 -4.115) 9.720 13.448 ( 8.486 2.351 -4.115) 9.720 13.720 ( -8.560 -1.496 -3.130) 9.237 13.720 ( 8.560 -1.496 -3.130) 9.237======================= Grid point 182 (57/140) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( 0.000 0.000 24.803) 24.803 1.401 ( 0.000 0.000 30.774) 30.774 2.075 ( 0.000 0.000 34.762) 34.762 2.569 ( 0.000 0.000 -3.260) 3.260 2.626 ( 0.000 0.000 -3.117) 3.117 2.626 ( 0.000 0.000 3.528) 3.528 3.257 ( 0.000 0.000 18.083) 18.083 3.987 ( 0.000 0.000 -2.857) 2.857 4.218 ( 0.000 0.000 -6.391) 6.391 4.242 ( 0.000 0.000 28.256) 28.256 4.727 ( 0.000 0.000 -13.730) 13.730 5.529 ( 0.000 0.000 -25.548) 25.548 5.692 ( 0.000 0.000 -15.864) 15.864 6.071 ( 0.000 0.000 -0.997) 0.997 6.576 ( 0.000 0.000 -4.826) 4.826 7.450 ( 0.000 0.000 14.510) 14.510 7.541 ( 0.000 0.000 7.403) 7.403 7.906 ( 0.000 0.000 -8.813) 8.813 9.594 ( 0.000 0.000 4.401) 4.401 9.798 ( 0.000 0.000 10.245) 10.245 9.846 ( 0.000 0.000 6.812) 6.812 10.011 ( 0.000 0.000 15.457) 15.457 10.056 ( 0.000 0.000 1.019) 1.019 10.477 ( 0.000 0.000 0.274) 0.274 10.719 ( 0.000 0.000 8.215) 8.215 11.140 ( 0.000 0.000 -3.351) 3.351 11.447 ( 0.000 0.000 4.600) 4.600 11.546 ( 0.000 0.000 -0.470) 0.470 11.894 ( 0.000 0.000 -3.824) 3.824 12.069 ( 0.000 0.000 -4.910) 4.910 12.281 ( 0.000 0.000 -1.867) 1.867 12.756 ( 0.000 0.000 -3.014) 3.014 12.909 ( 0.000 0.000 3.493) 3.493 13.767 ( 0.000 0.000 -4.004) 4.004 13.849 ( 0.000 0.000 -11.186) 11.186 14.212 ( 0.000 0.000 -7.966) 7.966======================= Grid point 183 (58/140) =======================q-point: ( 0.17 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( 13.379 0.000 20.223) 24.248 1.522 ( 10.746 0.000 26.030) 28.161 2.149 ( 6.239 0.000 22.840) 23.677 2.570 ( -3.990 0.000 5.077) 6.457 2.571 ( -5.221 0.000 -2.052) 5.610 2.660 ( 4.732 0.000 -2.338) 5.278 3.359 ( 9.693 0.000 15.450) 18.239 3.994 ( 0.617 0.000 -2.883) 2.948 4.188 ( -2.584 0.000 -5.722) 6.278 4.400 ( 14.911 0.000 29.601) 33.145 4.640 ( -8.639 0.000 -11.841) 14.657 5.593 ( 7.229 0.000 -22.176) 23.324 5.825 ( 10.744 0.000 -19.378) 22.157 6.113 ( 3.763 0.000 -1.533) 4.063 6.548 ( -2.660 0.000 -4.736) 5.432 7.140 ( -22.109 0.000 17.238) 28.035 7.618 ( 1.001 0.000 2.933) 3.099 7.872 ( -3.131 0.000 -5.561) 6.382 9.615 ( 1.919 0.000 4.447) 4.844 9.737 ( -5.836 0.000 10.468) 11.985 9.794 ( -1.107 0.000 10.216) 10.276 10.002 ( -4.601 0.000 2.111) 5.062 10.114 ( 7.643 0.000 12.233) 14.424 10.524 ( 3.801 0.000 0.601) 3.848 10.791 ( 6.239 0.000 6.725) 9.173 11.098 ( -2.699 0.000 -0.158) 2.703 11.486 ( -5.306 0.000 -0.294) 5.314 11.636 ( 9.441 0.000 1.516) 9.562 11.868 ( 0.894 0.000 -5.725) 5.794 12.098 ( 2.425 0.000 -4.580) 5.183 12.274 ( -0.675 0.000 -2.035) 2.144 12.686 ( -6.534 0.000 -1.446) 6.692 12.982 ( 6.128 0.000 3.083) 6.859 13.552 ( -14.375 0.000 -0.856) 14.401 13.865 ( 0.719 0.000 -10.566) 10.591 14.161 ( -4.368 0.000 -8.253) 9.338======================= Grid point 184 (59/140) =======================q-point: ( 0.33 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 15.219 0.000 12.233) 19.526 1.811 ( 15.425 0.000 16.555) 22.628 2.248 ( -0.328 0.000 4.986) 4.996 2.405 ( -10.460 0.000 1.507) 10.568 2.496 ( -0.263 0.000 9.927) 9.930 2.686 ( -2.587 0.000 2.045) 3.298 3.641 ( 15.664 0.000 7.546) 17.387 4.015 ( 1.468 0.000 -3.016) 3.354 4.122 ( -3.339 0.000 -4.411) 5.532 4.344 ( -16.057 0.000 -7.514) 17.728 4.920 ( 31.355 0.000 32.190) 44.937 5.806 ( 9.888 0.000 -17.677) 20.254 6.038 ( 6.881 0.000 -20.848) 21.954 6.219 ( 5.894 0.000 -2.680) 6.474 6.467 ( -4.856 0.000 -4.410) 6.560 6.575 ( -29.284 0.000 16.802) 33.762 7.608 ( -0.356 0.000 -0.325) 0.482 7.775 ( -5.817 0.000 -1.787) 6.086 9.666 ( -0.836 0.000 11.489) 11.520 9.675 ( 3.706 0.000 4.498) 5.828 9.746 ( -2.994 0.000 10.825) 11.231 9.887 ( -5.796 0.000 3.573) 6.809 10.312 ( 10.322 0.000 6.598) 12.250 10.588 ( 0.554 0.000 0.126) 0.568 10.956 ( 8.891 0.000 4.191) 9.829 11.079 ( 2.554 0.000 4.923) 5.546 11.339 ( -8.201 0.000 0.499) 8.216 11.541 ( -12.958 0.000 7.025) 14.740 12.085 ( 13.160 0.000 -8.119) 15.463 12.157 ( 2.850 0.000 -3.911) 4.839 12.251 ( -1.448 0.000 -2.503) 2.891 12.509 ( -8.929 0.000 -1.339) 9.029 13.123 ( 6.202 0.000 0.987) 6.280 13.325 ( -6.565 0.000 -2.787) 7.132 13.887 ( 1.595 0.000 -10.319) 10.441 14.049 ( -5.644 0.000 -8.417) 10.134======================= Grid point 185 (60/140) =======================q-point: (-0.50 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.095 ( -11.825 0.000 5.101) 12.878 2.095 ( 11.825 0.000 5.101) 12.878 2.136 ( -14.554 0.000 7.801) 16.513 2.136 ( 14.554 0.000 7.801) 16.513 2.584 ( -6.081 0.000 6.662) 9.019 2.584 ( 6.081 0.000 6.662) 9.019 3.988 ( -16.879 0.000 -0.121) 16.879 3.988 ( 16.879 0.000 -0.121) 16.879 4.058 ( -2.570 0.000 -3.444) 4.298 4.058 ( 2.570 0.000 -3.444) 4.298 5.633 ( -30.782 0.000 22.896) 38.363 5.633 ( 30.782 0.000 22.896) 38.363 6.153 ( -8.275 0.000 -17.600) 19.448 6.153 ( 8.275 0.000 -17.600) 19.448 6.349 ( -6.108 0.000 -3.735) 7.160 6.349 ( 6.108 0.000 -3.735) 7.160 7.653 ( -4.747 0.000 -0.607) 4.785 7.653 ( 4.747 0.000 -0.607) 4.785 9.686 ( -2.276 0.000 11.276) 11.503 9.686 ( 2.276 0.000 11.276) 11.503 9.769 ( -5.142 0.000 4.313) 6.711 9.769 ( 5.142 0.000 4.313) 6.711 10.510 ( -7.421 0.000 1.321) 7.538 10.510 ( 7.421 0.000 1.321) 7.538 11.152 ( -9.301 0.000 2.027) 9.519 11.152 ( 9.301 0.000 2.027) 9.519 11.246 ( -12.593 0.000 8.893) 15.416 11.246 ( 12.593 0.000 8.893) 15.416 12.212 ( -2.271 0.000 -3.172) 3.901 12.212 ( 2.271 0.000 -3.172) 3.901 12.322 ( -9.398 0.000 -5.208) 10.744 12.322 ( 9.398 0.000 -5.208) 10.744 13.228 ( -3.928 0.000 -2.274) 4.539 13.228 ( 3.928 0.000 -2.274) 4.539 13.944 ( -3.937 0.000 -9.212) 10.018 13.944 ( 3.937 0.000 -9.212) 10.018======================= Grid point 189 (61/140) =======================q-point: ( 0.00 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( 0.000 8.700 20.562) 22.327 1.526 ( 0.000 11.543 27.467) 29.793 2.232 ( 0.000 14.121 23.229) 27.184 2.578 ( 0.000 1.010 -3.098) 3.258 2.637 ( 0.000 1.425 4.668) 4.881 2.708 ( 0.000 7.808 -1.455) 7.942 3.264 ( 0.000 0.946 18.091) 18.115 4.009 ( 0.000 1.654 5.852) 6.081 4.358 ( 0.000 13.459 -6.230) 14.831 4.363 ( 0.000 14.260 21.650) 25.924 4.792 ( 0.000 6.810 -12.492) 14.228 5.513 ( 0.000 -0.835 -21.546) 21.562 5.662 ( 0.000 -2.938 -15.766) 16.037 6.236 ( 0.000 14.454 -2.420) 14.655 6.644 ( 0.000 6.334 -5.901) 8.657 7.428 ( 0.000 -2.203 13.900) 14.073 7.506 ( 0.000 -2.815 6.553) 7.132 7.866 ( 0.000 -3.721 -5.600) 6.724 9.551 ( 0.000 -5.122 4.392) 6.747 9.750 ( 0.000 -4.946 11.243) 12.283 9.828 ( 0.000 -1.032 11.371) 11.418 9.994 ( 0.000 -1.420 14.959) 15.026 10.012 ( 0.000 -1.412 -5.792) 5.962 10.624 ( 0.000 -7.614 6.272) 9.864 10.687 ( 0.000 14.521 -2.731) 14.776 11.229 ( 0.000 4.894 -4.189) 6.442 11.404 ( 0.000 -2.320 -0.533) 2.380 11.612 ( 0.000 4.573 5.830) 7.410 11.645 ( 0.000 -11.816 0.067) 11.816 12.212 ( 0.000 -6.394 1.729) 6.623 12.364 ( 0.000 18.101 -6.955) 19.391 12.760 ( 0.000 0.475 -2.787) 2.828 12.953 ( 0.000 4.146 1.789) 4.515 13.615 ( 0.000 -12.400 -1.391) 12.478 13.820 ( 0.000 -2.821 -11.002) 11.358 14.147 ( 0.000 -6.200 -8.577) 10.583======================= Grid point 190 (62/140) =======================q-point: ( 0.17 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.566 ( 12.518 7.495 16.343) 21.909 1.642 ( 10.275 10.727 23.031) 27.406 2.261 ( 2.633 10.323 14.739) 18.187 2.584 ( -3.696 1.650 6.132) 7.347 2.656 ( -3.173 7.443 -1.372) 8.206 2.668 ( 3.092 1.809 -0.703) 3.651 3.381 ( 10.918 2.470 15.176) 18.858 4.053 ( 3.219 4.811 2.442) 6.282 4.328 ( -2.649 13.424 -5.229) 14.648 4.493 ( 13.135 11.348 25.929) 31.203 4.697 ( -9.120 6.272 -11.264) 15.792 5.570 ( 6.274 -1.348 -19.024) 20.078 5.777 ( 9.342 -3.850 -17.365) 20.091 6.289 ( 4.591 14.722 -3.995) 15.931 6.617 ( -2.410 6.583 -5.474) 8.894 7.134 ( -21.045 -0.289 15.934) 26.398 7.573 ( 0.656 -3.966 3.507) 5.335 7.833 ( -3.050 -3.662 -3.182) 5.731 9.558 ( 0.497 -5.729 5.238) 7.778 9.693 ( -3.383 -7.696 9.836) 12.939 9.779 ( -3.755 2.966 11.184) 12.164 9.966 ( -1.321 -3.238 0.328) 3.512 10.126 ( 8.152 1.281 10.983) 13.738 10.638 ( 1.344 1.884 3.663) 4.332 10.728 ( 3.882 1.873 -0.019) 4.311 11.145 ( -3.642 1.937 0.516) 4.157 11.419 ( -8.131 -4.670 2.252) 9.643 11.639 ( 8.077 -11.696 -5.274) 15.161 11.721 ( 3.453 4.639 4.988) 7.637 12.191 ( -1.515 -5.661 0.993) 5.944 12.380 ( 1.864 17.878 -7.309) 19.404 12.736 ( -2.372 3.774 -2.287) 5.010 13.016 ( 5.317 3.304 1.306) 6.394 13.466 ( -10.415 -7.205 -1.827) 12.795 13.833 ( 0.777 -3.037 -10.512) 10.969 14.100 ( -4.087 -5.930 -8.610) 11.225======================= Grid point 191 (63/140) =======================q-point: ( 0.33 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( 13.705 5.133 9.824) 17.626 1.917 ( 14.587 9.029 14.563) 22.503 2.287 ( -2.391 4.475 2.924) 5.856 2.484 ( -7.885 4.375 3.067) 9.524 2.549 ( -1.409 8.107 9.474) 12.548 2.695 ( -2.051 1.287 1.747) 2.986 3.686 ( 16.356 4.647 7.037) 18.402 4.118 ( 2.923 9.753 -0.627) 10.200 4.256 ( -3.976 12.625 -3.152) 13.607 4.408 ( -15.892 7.086 -7.567) 18.974 4.966 ( 29.577 5.554 29.633) 42.235 5.748 ( 7.840 -3.804 -15.252) 17.566 5.978 ( 8.022 -4.162 -18.243) 20.359 6.397 ( 3.761 12.287 -6.569) 14.431 6.535 ( -9.613 6.320 0.746) 11.529 6.613 ( -21.059 5.729 11.509) 24.673 7.562 ( -0.135 -4.172 1.080) 4.311 7.737 ( -5.844 -3.675 -0.613) 6.931 9.568 ( 0.598 -6.618 7.509) 10.027 9.632 ( -2.395 -8.900 8.786) 12.733 9.745 ( 0.933 3.272 8.223) 8.899 9.900 ( -4.475 -0.511 4.973) 6.710 10.336 ( 10.878 2.406 6.016) 12.662 10.666 ( -0.903 6.726 -0.288) 6.793 10.822 ( 5.611 -9.028 3.299) 11.130 11.133 ( 3.300 0.667 4.388) 5.531 11.219 ( -9.896 -8.307 4.164) 13.575 11.544 ( -10.945 -3.311 7.564) 13.710 11.920 ( 9.375 -4.885 -4.492) 11.486 12.154 ( -2.407 -4.141 -1.639) 5.062 12.454 ( 4.905 17.343 -6.871) 19.288 12.663 ( -4.249 10.540 -2.671) 11.674 13.137 ( 5.245 1.576 -0.586) 5.508 13.294 ( -5.063 -2.543 -4.780) 7.412 13.852 ( 1.283 -3.346 -10.181) 10.793 13.995 ( -5.251 -5.318 -8.492) 11.313======================= Grid point 192 (64/140) =======================q-point: (-0.50 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.107 ( -7.601 2.297 5.226) 9.506 2.107 ( 7.601 2.297 5.226) 9.506 2.255 ( -10.742 9.110 6.351) 15.450 2.255 ( 10.742 9.110 6.351) 15.450 2.612 ( -4.806 3.597 6.200) 8.630 2.612 ( 4.806 3.597 6.200) 8.630 4.040 ( -16.812 5.485 0.086) 17.684 4.040 ( 16.812 5.485 0.086) 17.684 4.186 ( -3.573 12.579 -2.397) 13.294 4.186 ( 3.573 12.579 -2.397) 13.294 5.622 ( -25.920 -0.481 18.243) 31.700 5.622 ( 25.920 -0.481 18.243) 31.700 6.120 ( -8.940 -2.039 -13.726) 16.507 6.120 ( 8.940 -2.039 -13.726) 16.507 6.492 ( -3.098 12.619 -3.583) 13.478 6.492 ( 3.098 12.619 -3.583) 13.478 7.612 ( -4.949 -3.845 0.449) 6.283 7.612 ( 4.949 -3.845 0.449) 6.283 9.590 ( -1.532 -7.694 8.483) 11.555 9.590 ( 1.532 -7.694 8.483) 11.555 9.803 ( -4.108 1.525 6.670) 7.981 9.803 ( 4.108 1.525 6.670) 7.981 10.553 ( -8.788 3.905 0.527) 9.632 10.553 ( 8.788 3.905 0.527) 9.632 10.995 ( -10.014 -10.133 4.687) 14.997 10.995 ( 10.014 -10.133 4.687) 14.997 11.298 ( -10.674 -0.126 8.087) 13.393 11.298 ( 10.674 -0.126 8.087) 13.393 12.074 ( -5.327 -5.012 -3.597) 8.150 12.074 ( 5.327 -5.012 -3.597) 8.150 12.564 ( -5.048 14.974 -4.902) 16.545 12.564 ( 5.048 14.974 -4.902) 16.545 13.222 ( -2.931 -0.320 -3.957) 4.935 13.222 ( 2.931 -0.320 -3.957) 4.935 13.900 ( -3.418 -4.298 -9.128) 10.653 13.900 ( 3.418 -4.298 -9.128) 10.653======================= Grid point 196 (65/140) =======================q-point: ( 0.00 0.15 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 0.000 11.503 11.958) 16.592 1.794 ( 0.000 14.513 19.113) 23.999 2.527 ( 0.000 14.145 4.823) 14.944 2.614 ( 0.000 2.642 -2.680) 3.763 2.677 ( 0.000 2.643 5.281) 5.905 2.918 ( 0.000 12.830 2.902) 13.154 3.305 ( 0.000 3.573 17.580) 17.939 4.077 ( 0.000 6.051 10.620) 12.223 4.677 ( 0.000 16.840 -6.963) 18.222 4.801 ( 0.000 28.777 15.227) 32.557 5.011 ( 0.000 16.262 -7.802) 18.036 5.530 ( 0.000 3.555 -13.165) 13.637 5.584 ( 0.000 -4.666 -15.311) 16.006 6.532 ( 0.000 12.946 -1.795) 13.070 6.795 ( 0.000 8.515 -7.331) 11.237 7.366 ( 0.000 -3.949 11.808) 12.451 7.482 ( 0.000 2.006 4.173) 4.630 7.782 ( 0.000 -4.143 0.440) 4.166 9.401 ( 0.000 -9.467 6.153) 11.291 9.616 ( 0.000 -8.218 13.965) 16.204 9.785 ( 0.000 -4.281 -1.447) 4.519 9.968 ( 0.000 -1.036 13.336) 13.376 10.047 ( 0.000 4.931 2.979) 5.761 10.466 ( 0.000 -8.236 3.959) 9.138 10.885 ( 0.000 4.938 -2.396) 5.489 11.140 ( 0.000 -12.522 -4.702) 13.375 11.359 ( 0.000 -3.548 -1.038) 3.697 11.633 ( 0.000 8.610 2.719) 9.029 11.682 ( 0.000 1.269 6.279) 6.406 12.096 ( 0.000 -2.617 8.747) 9.130 12.687 ( 0.000 13.450 -8.181) 15.743 12.778 ( 0.000 2.031 -3.156) 3.753 13.047 ( 0.000 4.602 -3.712) 5.913 13.407 ( 0.000 -7.176 -1.511) 7.333 13.750 ( 0.000 -3.832 -10.334) 11.022 13.987 ( 0.000 -9.671 -10.368) 14.179======================= Grid point 197 (66/140) =======================q-point: ( 0.17 0.15 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 9.735 9.192 9.248) 16.272 1.884 ( 8.038 12.877 16.558) 22.463 2.475 ( -2.742 9.383 1.395) 9.875 2.637 ( -3.056 3.717 6.140) 7.801 2.711 ( 4.669 4.217 -1.095) 6.386 2.874 ( -3.710 12.827 4.185) 13.993 3.464 ( 14.200 6.267 13.873) 20.818 4.159 ( 7.340 6.590 9.686) 13.825 4.643 ( -3.433 16.244 -5.244) 17.411 4.876 ( 7.726 26.470 16.174) 31.968 4.919 ( -8.677 17.389 -7.419) 20.801 5.570 ( 5.277 1.339 -12.456) 13.593 5.693 ( 8.349 -3.781 -15.632) 18.120 6.577 ( 3.362 12.068 -2.692) 12.814 6.773 ( -2.007 8.479 -6.623) 10.945 7.157 ( -15.843 3.698 11.321) 19.820 7.499 ( -0.796 -2.490 4.982) 5.627 7.748 ( -3.218 -4.355 0.831) 5.478 9.404 ( 0.202 -9.466 6.668) 11.581 9.529 ( -5.271 -8.614 9.156) 13.632 9.816 ( 0.139 -1.331 9.405) 9.500 9.896 ( -2.960 -2.360 1.588) 4.105 10.177 ( 9.128 3.966 8.610) 13.160 10.513 ( 4.183 -8.202 4.522) 10.257 10.859 ( -2.180 3.173 -3.506) 5.207 11.085 ( -2.850 -7.642 -0.840) 8.199 11.396 ( -10.917 2.537 3.735) 11.814 11.451 ( 1.439 -7.186 1.921) 7.577 11.762 ( 2.204 -1.332 5.171) 5.777 12.157 ( 3.420 3.652 4.279) 6.583 12.699 ( 1.637 12.869 -8.364) 15.435 12.800 ( 1.774 3.174 -3.222) 4.858 13.098 ( 4.152 4.426 -3.880) 7.203 13.342 ( -4.796 -4.127 -4.148) 7.566 13.760 ( 0.582 -4.022 -10.029) 10.821 13.944 ( -3.676 -9.462 -9.753) 14.076======================= Grid point 198 (67/140) =======================q-point: ( 0.33 0.15 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( 10.999 5.579 5.391) 13.460 2.094 ( 10.265 8.198 11.003) 17.136 2.403 ( -4.091 6.110 0.979) 7.418 2.559 ( -4.794 3.912 4.974) 7.939 2.751 ( -0.573 7.491 4.941) 8.992 2.795 ( -2.703 12.431 2.808) 13.027 3.829 ( 18.337 10.115 5.662) 21.694 4.344 ( 8.750 11.940 6.013) 15.978 4.512 ( -10.095 12.258 -2.755) 16.117 4.686 ( -10.734 21.156 -4.269) 24.105 5.178 ( 20.902 16.462 18.528) 32.422 5.710 ( 5.500 0.288 -11.683) 12.916 5.893 ( 9.458 -4.111 -15.796) 18.864 6.506 ( -16.727 1.739 4.319) 17.363 6.743 ( 1.203 10.872 -5.459) 12.225 6.861 ( -6.945 19.064 3.960) 20.673 7.469 ( -0.522 -4.790 5.018) 6.957 7.649 ( -5.952 -4.610 1.251) 7.631 9.408 ( 0.186 -9.511 7.380) 12.040 9.445 ( -2.518 -9.688 7.461) 12.485 9.797 ( -0.502 1.809 9.120) 9.311 9.854 ( -1.951 -3.766 4.937) 6.509 10.390 ( 10.362 1.956 4.481) 11.457 10.636 ( 6.832 -8.270 5.403) 12.011 10.785 ( -4.667 1.260 -3.381) 5.899 11.050 ( -3.234 -3.491 2.696) 5.469 11.161 ( -6.318 0.601 7.022) 9.465 11.391 ( -7.352 -10.798 6.786) 14.721 11.869 ( 7.607 -1.850 -0.066) 7.829 12.158 ( -3.480 3.396 0.800) 4.928 12.761 ( 3.622 12.575 -6.942) 14.813 12.834 ( 0.898 6.654 -3.099) 7.395 13.186 ( 3.336 3.241 -4.967) 6.805 13.260 ( -2.238 -0.058 -9.256) 9.523 13.767 ( 0.321 -4.966 -9.692) 10.895 13.855 ( -4.088 -8.300 -8.471) 12.544======================= Grid point 199 (68/140) =======================q-point: (-0.50 0.15 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.166 ( -6.071 3.186 3.466) 7.682 2.166 ( 6.071 3.186 3.466) 7.682 2.415 ( -7.286 6.441 6.238) 11.553 2.415 ( 7.286 6.441 6.238) 11.553 2.754 ( -1.377 10.625 4.113) 11.476 2.754 ( 1.377 10.625 4.113) 11.476 4.205 ( -16.957 11.386 0.076) 20.426 4.205 ( 16.957 11.386 0.076) 20.426 4.510 ( -7.069 18.996 1.308) 20.310 4.510 ( 7.069 18.996 1.308) 20.310 5.644 ( -16.203 3.145 6.575) 17.766 5.644 ( 16.203 3.145 6.575) 17.766 6.099 ( -13.557 0.491 -7.289) 15.401 6.099 ( 13.557 0.491 -7.289) 15.401 6.788 ( -2.541 16.538 -1.480) 16.797 6.788 ( 2.541 16.538 -1.480) 16.797 7.520 ( -5.199 -4.953 2.817) 7.714 7.520 ( 5.199 -4.953 2.817) 7.714 9.415 ( -0.614 -9.804 7.362) 12.276 9.415 ( 0.614 -9.804 7.362) 12.276 9.812 ( -1.715 -0.616 7.381) 7.603 9.812 ( 1.715 -0.616 7.381) 7.603 10.598 ( -8.802 -2.712 0.195) 9.212 10.598 ( 8.802 -2.712 0.195) 9.212 10.860 ( -10.102 -0.491 5.163) 11.355 10.860 ( 10.102 -0.491 5.163) 11.355 11.221 ( -7.265 -6.613 7.044) 12.089 11.221 ( 7.265 -6.613 7.044) 12.089 12.036 ( -7.418 -0.191 -0.849) 7.469 12.036 ( 7.418 -0.191 -0.849) 7.469 12.824 ( -1.878 10.698 -4.245) 11.662 12.824 ( 1.878 10.698 -4.245) 11.662 13.232 ( -1.368 1.642 -8.827) 9.082 13.232 ( 1.368 1.642 -8.827) 9.082 13.789 ( -2.031 -6.479 -8.573) 10.936 13.789 ( 2.031 -6.479 -8.573) 10.936======================= Grid point 203 (69/140) =======================q-point: ( 0.00 0.23 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( 0.000 8.952 4.736) 10.127 2.051 ( 0.000 10.939 10.789) 15.364 2.676 ( 0.000 3.487 -2.089) 4.065 2.715 ( 0.000 3.290 2.655) 4.227 2.785 ( 0.000 10.354 0.187) 10.356 3.163 ( 0.000 11.166 2.951) 11.549 3.418 ( 0.000 8.255 15.017) 17.136 4.253 ( 0.000 11.781 7.163) 13.787 4.953 ( 0.000 10.619 -7.896) 13.233 5.344 ( 0.000 20.512 -1.098) 20.541 5.359 ( 0.000 10.610 -5.083) 11.764 5.558 ( 0.000 10.055 -9.683) 13.959 5.738 ( 0.000 21.699 5.078) 22.286 6.651 ( 0.000 -0.334 -2.272) 2.297 6.960 ( 0.000 7.001 -0.593) 7.026 7.281 ( 0.000 -4.447 7.500) 8.719 7.629 ( 0.000 11.823 1.291) 11.893 7.739 ( 0.000 1.548 3.365) 3.704 9.201 ( 0.000 -10.723 6.266) 12.420 9.452 ( 0.000 -7.920 17.281) 19.009 9.656 ( 0.000 -8.629 -6.060) 10.544 9.949 ( 0.000 -1.359 10.846) 10.931 10.177 ( 0.000 7.760 7.742) 10.962 10.306 ( 0.000 -7.993 1.806) 8.195 10.876 ( 0.000 -13.083 -0.987) 13.120 10.911 ( 0.000 -1.396 -0.331) 1.435 11.239 ( 0.000 -7.951 2.025) 8.205 11.646 ( 0.000 -3.541 5.215) 6.303 11.834 ( 0.000 10.519 0.574) 10.535 12.154 ( 0.000 6.683 8.760) 11.018 12.782 ( 0.000 1.158 -0.416) 1.231 12.920 ( 0.000 6.946 -12.176) 14.018 13.085 ( 0.000 -1.509 -8.280) 8.417 13.355 ( 0.000 1.383 -2.777) 3.102 13.693 ( 0.000 -1.383 -9.127) 9.231 13.792 ( 0.000 -9.510 -12.425) 15.647======================= Grid point 204 (70/140) =======================q-point: ( 0.17 0.23 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( 6.425 7.147 3.971) 10.398 2.107 ( 4.909 9.228 9.613) 14.201 2.602 ( -4.559 4.552 -0.827) 6.495 2.704 ( -2.397 2.764 3.994) 5.416 2.848 ( 4.084 8.850 -1.156) 9.815 3.119 ( -3.178 11.378 4.064) 12.493 3.630 ( 18.160 10.592 11.195) 23.818 4.330 ( 7.381 11.118 7.891) 15.504 4.924 ( -3.629 12.779 -5.785) 14.489 5.339 ( -6.006 21.798 -0.094) 22.610 5.388 ( 3.914 20.121 -2.944) 20.708 5.539 ( 4.435 -3.243 -12.416) 13.577 5.805 ( 5.004 19.247 3.263) 20.152 6.693 ( 2.511 0.941 -2.295) 3.529 6.914 ( -4.981 5.065 -2.585) 7.560 7.242 ( -1.526 1.033 8.603) 8.799 7.550 ( -7.092 9.546 2.432) 12.139 7.709 ( -2.866 2.337 3.263) 4.932 9.205 ( 0.355 -10.594 6.572) 12.472 9.366 ( -5.797 -7.754 10.530) 14.304 9.706 ( 3.001 -8.073 2.564) 8.986 9.894 ( -3.754 0.444 9.015) 9.775 10.256 ( 5.189 2.470 5.609) 8.030 10.357 ( 5.027 -6.970 4.268) 9.595 10.803 ( -3.432 -6.529 -1.433) 7.514 10.962 ( 2.039 -4.362 1.354) 5.002 11.232 ( -1.453 -10.473 2.807) 10.939 11.558 ( -11.881 7.650 1.187) 14.180 11.720 ( 0.141 -1.229 6.496) 6.613 12.281 ( 3.945 7.302 5.950) 10.212 12.770 ( 1.299 -1.449 -2.649) 3.287 12.942 ( 2.084 6.881 -11.621) 13.665 13.164 ( 5.778 1.957 -9.230) 11.064 13.319 ( -2.669 1.293 -3.690) 4.734 13.688 ( -1.253 -4.088 -9.776) 10.670 13.765 ( -1.758 -6.783 -10.510) 12.631======================= Grid point 205 (71/140) =======================q-point: ( 0.33 0.23 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.065 ( 8.329 4.251 2.592) 9.704 2.222 ( 4.523 4.654 6.458) 9.155 2.510 ( -3.368 5.048 1.640) 6.286 2.626 ( -4.800 2.892 4.566) 7.229 2.918 ( 2.710 9.244 0.537) 9.648 3.046 ( -3.522 11.753 3.591) 12.784 4.077 ( 21.376 14.871 4.287) 26.390 4.562 ( 13.892 10.652 9.396) 19.868 4.775 ( -10.659 14.829 -2.289) 18.405 5.122 ( -11.934 20.941 1.561) 24.153 5.525 ( 9.115 14.276 -5.442) 17.790 5.719 ( 7.694 -2.432 -11.768) 14.269 5.933 ( 7.831 14.287 0.563) 16.302 6.560 ( -16.317 4.791 2.798) 17.234 6.893 ( 5.584 3.713 -6.031) 9.019 7.266 ( -0.322 19.769 3.578) 20.093 7.372 ( -5.400 -4.855 7.552) 10.476 7.616 ( -5.930 3.257 3.803) 7.761 9.213 ( 0.348 -10.121 6.817) 12.208 9.265 ( -3.328 -8.426 7.402) 11.699 9.755 ( 1.674 -5.628 7.377) 9.428 9.826 ( -2.496 0.730 8.599) 8.984 10.353 ( 4.361 -5.836 2.884) 7.836 10.469 ( 2.819 -9.734 4.824) 11.223 10.788 ( 3.578 2.519 0.170) 4.379 10.996 ( 1.410 -3.574 2.697) 4.694 11.158 ( -5.186 -9.254 4.003) 11.339 11.275 ( -12.688 7.290 3.296) 14.999 11.824 ( 7.990 -2.948 3.190) 9.095 12.221 ( -7.833 1.897 3.737) 8.884 12.867 ( 6.153 1.263 -3.565) 7.222 12.991 ( 1.703 7.258 -8.833) 11.559 13.243 ( 0.391 1.727 -8.778) 8.955 13.296 ( 1.005 3.180 -11.292) 11.774 13.645 ( -1.095 -7.993 -8.167) 11.480 13.733 ( -1.860 -2.479 -8.246) 8.809======================= Grid point 206 (72/140) =======================q-point: (-0.50 0.23 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.220 ( -5.109 2.200 2.109) 5.949 2.220 ( 5.109 2.200 2.109) 5.949 2.519 ( -4.287 4.577 5.318) 8.223 2.519 ( 4.287 4.577 5.318) 8.223 2.976 ( -2.986 10.938 2.160) 11.542 2.976 ( 2.986 10.938 2.160) 11.542 4.481 ( -16.664 16.412 -0.043) 23.389 4.481 ( 16.664 16.412 -0.043) 23.389 4.861 ( -13.186 15.507 6.748) 21.445 4.861 ( 13.186 15.507 6.748) 21.445 5.726 ( -6.947 3.769 -10.071) 12.802 5.726 ( 6.947 3.769 -10.071) 12.802 6.185 ( -16.058 9.789 1.290) 18.851 6.185 ( 16.058 9.789 1.290) 18.851 7.075 ( -10.834 9.752 -0.539) 14.586 7.075 ( 10.834 9.752 -0.539) 14.586 7.467 ( -7.621 2.346 6.167) 10.081 7.467 ( 7.621 2.346 6.167) 10.081 9.223 ( -0.889 -9.407 6.767) 11.622 9.223 ( 0.889 -9.407 6.767) 11.622 9.786 ( -1.454 -1.875 8.541) 8.865 9.786 ( 1.454 -1.875 8.541) 8.865 10.444 ( -3.789 -10.502 3.074) 11.580 10.444 ( 3.789 -10.502 3.074) 11.580 10.948 ( -8.823 4.964 1.007) 10.173 10.948 ( 8.823 4.964 1.007) 10.173 11.095 ( -3.304 -3.968 5.431) 7.494 11.095 ( 3.304 -3.968 5.431) 7.494 12.022 ( -10.048 -1.869 2.279) 10.471 12.022 ( 10.048 -1.869 2.279) 10.471 12.975 ( -3.377 5.240 -4.504) 7.691 12.975 ( 3.377 5.240 -4.504) 7.691 13.272 ( -2.567 1.469 -12.729) 13.069 13.272 ( 2.567 1.469 -12.729) 13.069 13.676 ( -3.092 -4.134 -7.204) 8.863 13.676 ( 3.092 -4.134 -7.204) 8.863======================= Grid point 210 (73/140) =======================q-point: ( 0.00 0.31 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 0.000 5.000 1.038) 5.107 2.211 ( 0.000 5.539 5.714) 7.958 2.738 ( 0.000 2.640 -1.261) 2.926 2.762 ( 0.000 1.851 3.559) 4.011 2.978 ( 0.000 8.766 -2.437) 9.098 3.338 ( 0.000 6.697 2.053) 7.005 3.630 ( 0.000 13.180 9.492) 16.242 4.526 ( 0.000 15.732 0.295) 15.735 5.024 ( 0.000 -4.389 -9.839) 10.774 5.467 ( 0.000 8.784 -4.783) 10.002 5.592 ( 0.000 8.403 -7.577) 11.314 5.942 ( 0.000 19.878 2.915) 20.091 6.215 ( 0.000 14.879 -4.338) 15.499 6.683 ( 0.000 11.368 14.264) 18.240 7.019 ( 0.000 -0.519 7.196) 7.214 7.213 ( 0.000 -1.658 -0.069) 1.659 7.764 ( 0.000 5.663 3.085) 6.449 7.982 ( 0.000 17.653 -1.091) 17.687 8.990 ( 0.000 -10.672 5.752) 12.124 9.322 ( 0.000 -5.131 20.526) 21.158 9.463 ( 0.000 -10.647 -4.212) 11.450 9.882 ( 0.000 -6.507 5.976) 8.835 10.174 ( 0.000 -4.771 1.774) 5.090 10.333 ( 0.000 7.813 9.366) 12.197 10.656 ( 0.000 -8.965 2.551) 9.321 10.848 ( 0.000 -4.656 0.062) 4.657 11.100 ( 0.000 -5.426 2.764) 6.089 11.580 ( 0.000 -2.942 5.051) 5.845 12.022 ( 0.000 8.521 -1.399) 8.635 12.290 ( 0.000 6.329 6.499) 9.071 12.800 ( 0.000 0.755 1.120) 1.351 12.979 ( 0.000 -0.425 -13.848) 13.855 13.008 ( 0.000 -5.481 -5.148) 7.519 13.389 ( 0.000 0.057 -10.921) 10.921 13.652 ( 0.000 -3.681 -11.475) 12.051 13.704 ( 0.000 2.154 -8.446) 8.716======================= Grid point 211 (74/140) =======================q-point: ( 0.17 0.31 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 4.574 4.350 1.023) 6.395 2.237 ( 2.168 4.206 5.265) 7.079 2.679 ( -3.963 3.488 -0.117) 5.281 2.747 ( -2.281 1.638 3.157) 4.225 3.016 ( 2.984 7.833 -1.784) 8.570 3.303 ( -2.627 7.283 2.476) 8.128 3.870 ( 20.537 13.553 7.635) 25.763 4.590 ( 6.067 15.145 1.094) 16.351 5.095 ( 4.123 1.754 -8.253) 9.391 5.476 ( 2.654 4.230 -5.000) 7.067 5.608 ( -0.118 7.420 -5.542) 9.262 5.796 ( -9.519 17.269 -0.169) 19.719 6.266 ( 2.712 17.154 -2.389) 17.531 6.747 ( 5.031 10.130 9.099) 14.516 6.996 ( -5.460 5.357 0.512) 7.666 7.161 ( -0.631 -7.804 8.079) 11.250 7.747 ( -2.278 8.947 2.489) 9.562 7.922 ( -5.213 17.112 0.534) 17.896 8.997 ( 0.747 -10.462 6.075) 12.121 9.233 ( -5.883 -5.805 10.962) 13.729 9.534 ( 4.674 -8.909 5.846) 11.635 9.876 ( -0.880 -3.346 6.403) 7.278 10.183 ( 0.726 -6.042 1.983) 6.401 10.303 ( -2.202 -2.130 7.880) 8.455 10.724 ( 5.850 -0.263 2.333) 6.303 10.865 ( 1.533 -5.765 0.923) 6.037 11.073 ( -2.358 -5.388 2.937) 6.574 11.602 ( 1.366 -1.981 3.045) 3.881 11.794 ( -13.274 7.232 2.358) 15.299 12.403 ( -1.213 4.515 6.583) 8.074 12.723 ( 2.212 -2.804 -3.922) 5.304 12.998 ( 2.093 -0.622 -13.443) 13.619 13.180 ( 10.477 0.024 -6.243) 12.196 13.347 ( -3.408 -0.075 -9.544) 10.134 13.582 ( -4.795 -3.453 -10.086) 11.689 13.737 ( 1.257 1.472 -8.757) 8.968======================= Grid point 212 (75/140) =======================q-point: ( 0.33 0.31 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.136 ( 6.374 2.948 0.929) 7.084 2.280 ( 1.135 1.542 3.649) 4.121 2.603 ( -2.528 4.413 1.451) 5.289 2.674 ( -4.101 2.058 3.690) 5.888 3.085 ( 3.382 7.397 -0.405) 8.143 3.237 ( -3.498 7.675 2.054) 8.681 4.384 ( 25.019 15.578 4.274) 29.781 4.784 ( 12.335 12.598 4.155) 18.114 5.071 ( -6.925 14.127 -2.595) 15.945 5.433 ( -13.817 10.271 4.496) 17.794 5.631 ( 8.953 -2.162 -8.447) 12.498 5.741 ( 2.559 7.679 -11.580) 14.128 6.315 ( 2.830 15.746 -2.673) 16.220 6.713 ( -12.337 10.206 -3.117) 16.312 6.938 ( 6.790 4.991 4.857) 9.726 7.207 ( 1.359 -8.033 10.506) 13.295 7.664 ( -3.908 17.091 2.289) 17.681 7.795 ( -6.160 14.345 4.702) 16.304 9.020 ( 1.359 -9.364 6.076) 11.245 9.121 ( -4.265 -6.261 6.937) 10.272 9.636 ( 4.960 -6.224 10.391) 13.089 9.833 ( -3.288 -0.191 8.741) 9.341 10.203 ( 1.123 -9.047 2.420) 9.432 10.260 ( -1.762 -10.554 4.729) 11.699 10.862 ( 5.075 1.681 1.391) 5.524 10.910 ( 2.940 -3.814 1.984) 5.208 11.027 ( -0.178 -2.075 3.513) 4.084 11.441 ( -13.590 8.234 0.210) 15.892 11.755 ( 7.103 -3.928 4.674) 9.367 12.212 ( -12.263 -2.751 4.265) 13.272 12.885 ( 8.595 0.763 -6.656) 10.898 13.066 ( 3.454 0.540 -10.641) 11.200 13.246 ( -3.432 -1.385 -12.726) 13.253 13.361 ( 1.033 3.380 -8.711) 9.401 13.514 ( 2.154 -4.143 -4.693) 6.621 13.731 ( -2.153 1.159 -8.175) 8.533======================= Grid point 213 (76/140) =======================q-point: (-0.50 0.31 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( -3.912 1.251 1.388) 4.335 2.253 ( 3.912 1.251 1.388) 4.335 2.599 ( -2.238 3.585 3.565) 5.529 2.599 ( 2.238 3.585 3.565) 5.529 3.160 ( -3.674 7.639 0.970) 8.532 3.160 ( 3.674 7.639 0.970) 8.532 4.826 ( -15.931 18.001 -0.163) 24.039 4.826 ( 15.931 18.001 -0.163) 24.039 5.104 ( -16.565 9.955 8.206) 20.996 5.104 ( 16.565 9.955 8.206) 20.996 5.761 ( -2.591 0.435 -13.668) 13.918 5.761 ( 2.591 0.435 -13.668) 13.918 6.449 ( -10.446 13.119 -2.416) 16.943 6.449 ( 10.446 13.119 -2.416) 16.943 7.121 ( -8.559 -0.563 5.485) 10.181 7.121 ( 8.559 -0.563 5.485) 10.181 7.673 ( -4.542 15.717 5.826) 17.367 7.673 ( 4.542 15.717 5.826) 17.367 9.056 ( -2.138 -7.659 5.943) 9.927 9.056 ( 2.138 -7.659 5.943) 9.927 9.743 ( -4.919 -2.435 10.870) 12.177 9.743 ( 4.919 -2.435 10.870) 12.177 10.228 ( -1.288 -11.185 2.915) 11.631 10.228 ( 1.288 -11.185 2.915) 11.631 10.916 ( -1.630 -4.558 2.055) 5.258 10.916 ( 1.630 -4.558 2.055) 5.258 11.170 ( -11.396 7.751 1.859) 13.907 11.170 ( 11.396 7.751 1.859) 13.907 11.956 ( -11.317 -4.662 3.447) 12.715 11.956 ( 11.317 -4.662 3.447) 12.715 13.039 ( -5.763 0.956 -9.995) 11.577 13.039 ( 5.763 0.956 -9.995) 11.577 13.274 ( -5.431 -0.225 -9.144) 10.638 13.274 ( 5.431 -0.225 -9.144) 10.638 13.641 ( -6.155 -0.020 -6.524) 8.970 13.641 ( 6.155 -0.020 -6.524) 8.970======================= Grid point 217 (77/140) =======================q-point: ( 0.00 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 0.000 2.181 -0.176) 2.188 2.281 ( 0.000 2.011 3.327) 3.888 2.778 ( 0.000 1.439 -0.677) 1.590 2.791 ( 0.000 1.103 3.307) 3.486 3.118 ( 0.000 5.492 -2.979) 6.248 3.431 ( 0.000 3.126 1.925) 3.671 3.915 ( 0.000 15.396 2.711) 15.633 4.850 ( 0.000 16.906 -7.203) 18.376 4.852 ( 0.000 -11.503 -8.978) 14.592 5.676 ( 0.000 -1.312 -10.898) 10.977 5.690 ( 0.000 12.355 0.738) 12.377 6.208 ( 0.000 6.268 9.287) 11.204 6.302 ( 0.000 3.067 -5.463) 6.265 6.854 ( 0.000 -5.370 12.287) 13.409 7.176 ( 0.000 19.614 15.741) 25.149 7.247 ( 0.000 5.216 -9.092) 10.482 7.907 ( 0.000 8.962 3.592) 9.655 8.305 ( 0.000 14.364 -0.508) 14.373 8.790 ( 0.000 -9.616 5.254) 10.958 9.258 ( 0.000 -1.295 23.027) 23.064 9.260 ( 0.000 -9.536 -1.404) 9.639 9.699 ( 0.000 -10.970 1.471) 11.068 10.113 ( 0.000 -2.235 2.737) 3.533 10.472 ( 0.000 6.079 11.631) 13.124 10.536 ( 0.000 -3.330 5.034) 6.036 10.754 ( 0.000 -4.282 -0.341) 4.296 11.024 ( 0.000 -2.675 3.471) 4.383 11.533 ( 0.000 -1.865 3.595) 4.050 12.161 ( 0.000 5.561 -3.036) 6.336 12.388 ( 0.000 3.722 4.726) 6.016 12.810 ( 0.000 0.300 2.441) 2.459 12.896 ( 0.000 -5.429 -2.345) 5.914 12.940 ( 0.000 -2.657 -14.101) 14.349 13.344 ( 0.000 -3.410 -17.922) 18.243 13.644 ( 0.000 1.463 -9.281) 9.396 13.753 ( 0.000 2.363 -8.799) 9.111======================= Grid point 218 (78/140) =======================q-point: ( 0.17 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.075 ( 4.027 2.100 -0.155) 4.545 2.287 ( 0.474 1.277 3.192) 3.470 2.737 ( -2.943 2.357 0.301) 3.783 2.771 ( -2.202 0.894 2.494) 3.445 3.143 ( 2.111 4.937 -2.348) 5.860 3.407 ( -2.102 3.527 1.792) 4.480 4.144 ( 19.867 14.045 2.757) 24.486 4.901 ( 5.146 14.473 -6.613) 16.724 5.003 ( 12.365 -6.824 -8.322) 16.392 5.658 ( -1.632 10.053 -0.458) 10.195 5.688 ( -0.908 0.998 -5.856) 6.010 6.037 ( -10.011 7.985 3.080) 13.171 6.365 ( 1.327 -0.371 -5.361) 5.535 6.920 ( 4.025 -8.608 13.324) 16.365 7.100 ( -7.083 9.962 -3.798) 12.800 7.225 ( 0.297 18.188 9.745) 20.636 7.929 ( 1.290 9.793 3.891) 10.616 8.249 ( -5.152 14.949 -0.407) 15.817 8.803 ( 1.480 -9.220 5.870) 11.030 9.132 ( -5.965 -4.849 7.575) 10.792 9.385 ( 6.136 -5.470 13.764) 16.032 9.742 ( 3.509 -9.439 1.274) 10.150 10.102 ( -1.314 -2.647 3.205) 4.360 10.247 ( -10.987 -2.406 10.267) 15.228 10.754 ( 4.793 -2.501 1.159) 5.529 10.777 ( 7.765 1.881 4.174) 9.015 11.002 ( -1.658 -2.561 3.546) 4.678 11.556 ( 2.231 -2.161 3.113) 4.398 11.925 ( -14.462 5.646 -0.051) 15.525 12.442 ( -11.969 -0.472 4.920) 12.950 12.683 ( 9.140 -0.947 -3.911) 9.987 12.956 ( 1.980 -2.779 -13.202) 13.636 13.174 ( 13.875 -0.450 -1.978) 14.022 13.298 ( -4.046 -3.597 -17.369) 18.193 13.589 ( -4.412 2.589 -7.928) 9.435 13.769 ( 0.507 1.255 -8.744) 8.848======================= Grid point 219 (79/140) =======================q-point: ( 0.33 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.180 ( 5.252 1.615 0.020) 5.495 2.294 ( -0.001 0.191 2.409) 2.416 2.677 ( -2.311 2.943 1.108) 3.903 2.708 ( -3.250 1.421 2.474) 4.325 3.200 ( 3.225 4.389 -1.134) 5.563 3.349 ( -3.241 3.935 1.192) 5.235 4.654 ( 25.750 11.530 3.326) 28.409 5.055 ( 9.106 13.769 -4.084) 17.006 5.249 ( 5.942 3.438 -5.889) 9.045 5.567 ( -11.309 3.882 4.173) 12.664 5.651 ( 2.806 5.576 -2.349) 6.669 5.896 ( -3.204 8.227 -5.456) 10.379 6.373 ( 1.617 -6.165 -10.616) 12.382 6.794 ( -12.747 -6.859 -2.116) 14.629 7.120 ( 5.901 9.211 8.073) 13.596 7.242 ( 0.577 15.050 10.985) 18.641 7.945 ( 0.580 12.564 4.819) 13.469 8.110 ( -7.037 15.599 1.857) 17.214 8.853 ( 3.040 -7.572 5.588) 9.890 9.015 ( -4.930 -4.753 5.483) 8.773 9.527 ( 7.403 -4.443 15.318) 17.584 9.803 ( 0.251 -3.411 4.788) 5.884 10.020 ( -5.014 -7.946 9.015) 13.021 10.092 ( -3.560 -6.730 1.699) 7.800 10.793 ( 2.023 -3.925 1.408) 4.635 10.897 ( -1.504 -0.729 2.624) 3.111 11.070 ( 10.296 4.334 3.547) 11.720 11.575 ( -8.493 4.642 -0.592) 9.697 11.688 ( 0.771 -1.911 4.157) 4.639 12.129 ( -14.731 -5.181 2.929) 15.888 12.887 ( 6.938 -0.800 -11.369) 13.343 13.054 ( 6.251 -0.703 -7.234) 9.587 13.193 ( -3.746 -3.109 -16.594) 17.293 13.426 ( 5.185 2.457 -5.079) 7.662 13.489 ( -0.712 1.143 -4.171) 4.383 13.748 ( -2.764 0.308 -7.773) 8.256======================= Grid point 220 (80/140) =======================q-point: (-0.50 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.270 ( -2.716 0.513 0.906) 2.909 2.270 ( 2.716 0.513 0.906) 2.909 2.658 ( -0.888 2.436 2.151) 3.369 2.658 ( 0.888 2.436 2.151) 3.369 3.275 ( -3.646 4.180 0.142) 5.548 3.275 ( 3.646 4.180 0.142) 5.548 5.130 ( -16.063 11.438 0.997) 19.744 5.130 ( 16.063 11.438 0.997) 19.744 5.283 ( -12.129 8.605 1.942) 14.998 5.283 ( 12.129 8.605 1.942) 14.998 5.791 ( -7.477 4.359 -7.998) 11.784 5.791 ( 7.477 4.359 -7.998) 11.784 6.519 ( -11.736 -6.713 -7.185) 15.310 6.519 ( 11.736 -6.713 -7.185) 15.310 7.220 ( -3.002 10.347 9.300) 14.232 7.220 ( 3.002 10.347 9.300) 14.232 7.987 ( -3.992 15.153 4.592) 16.330 7.987 ( 3.992 15.153 4.592) 16.330 8.925 ( -3.702 -5.729 4.969) 8.439 8.925 ( 3.702 -5.729 4.969) 8.439 9.696 ( -8.116 -2.094 14.379) 16.643 9.696 ( 8.116 -2.094 14.379) 16.643 10.020 ( -3.160 -9.665 1.410) 10.266 10.020 ( 3.160 -9.665 1.410) 10.266 10.843 ( -2.676 -2.740 2.341) 4.489 10.843 ( 2.676 -2.740 2.341) 4.489 11.317 ( -12.408 6.829 1.376) 14.230 11.317 ( 12.408 6.829 1.376) 14.230 11.851 ( -11.105 -5.641 2.858) 12.780 11.851 ( 11.105 -5.641 2.858) 12.780 13.014 ( -5.860 -2.667 -15.174) 16.483 13.014 ( 5.860 -2.667 -15.174) 16.483 13.300 ( -8.680 2.567 -5.001) 10.342 13.300 ( 8.680 2.567 -5.001) 10.342 13.645 ( -7.030 -0.058 -5.860) 9.152 13.645 ( 7.030 -0.058 -5.860) 9.152======================= Grid point 224 (81/140) =======================q-point: ( 0.00 0.46 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.055 ( 0.000 0.575 -0.425) 0.714 2.302 ( 0.000 0.438 2.384) 2.424 2.796 ( 0.000 0.458 -0.516) 0.690 2.805 ( 0.000 0.378 3.136) 3.158 3.190 ( 0.000 1.820 -3.242) 3.718 3.469 ( 0.000 0.868 1.999) 2.179 4.201 ( 0.000 12.149 -3.993) 12.788 4.617 ( 0.000 -10.808 -4.982) 11.901 5.158 ( 0.000 12.889 -12.699) 18.094 5.549 ( 0.000 -8.987 -15.131) 17.599 5.903 ( 0.000 7.810 5.425) 9.510 6.219 ( 0.000 -2.702 8.966) 9.364 6.439 ( 0.000 9.364 4.792) 10.519 6.684 ( 0.000 -9.805 10.105) 14.080 7.362 ( 0.000 4.298 -12.579) 13.293 7.447 ( 0.000 6.513 8.061) 10.363 8.097 ( 0.000 8.167 7.414) 11.030 8.514 ( 0.000 6.358 3.708) 7.360 8.625 ( 0.000 -6.419 2.840) 7.019 9.114 ( 0.000 -4.546 0.394) 4.563 9.267 ( 0.000 1.610 25.525) 25.576 9.508 ( 0.000 -6.936 -0.751) 6.976 10.078 ( 0.000 -1.071 2.280) 2.519 10.506 ( 0.000 -0.380 5.970) 5.982 10.560 ( 0.000 2.646 14.245) 14.488 10.693 ( 0.000 -1.793 -0.854) 1.986 10.987 ( 0.000 -1.059 3.985) 4.123 11.509 ( 0.000 -0.632 2.155) 2.246 12.236 ( 0.000 1.964 -4.006) 4.461 12.436 ( 0.000 1.194 3.354) 3.560 12.813 ( 0.000 0.024 3.235) 3.236 12.817 ( 0.000 -2.243 -1.311) 2.598 12.898 ( 0.000 -1.226 -13.999) 14.052 13.292 ( 0.000 -1.521 -19.267) 19.327 13.671 ( 0.000 0.826 -9.823) 9.858 13.786 ( 0.000 0.856 -9.209) 9.248======================= Grid point 225 (82/140) =======================q-point: ( 0.17 0.46 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( 3.968 0.592 -0.481) 4.041 2.299 ( -0.241 0.221 2.350) 2.372 2.769 ( -2.333 0.812 0.816) 2.601 2.783 ( -2.024 0.317 1.751) 2.695 3.207 ( 1.624 1.649 -2.804) 3.636 3.449 ( -1.778 0.994 1.695) 2.650 4.391 ( 16.618 9.623 -3.449) 19.510 4.805 ( 16.050 -8.068 -4.177) 18.443 5.218 ( 5.686 12.731 -10.855) 17.670 5.579 ( 2.304 -8.005 -12.023) 14.627 5.862 ( -3.441 7.227 3.112) 8.588 6.101 ( -8.255 -1.280 4.114) 9.312 6.437 ( -2.458 9.049 4.364) 10.343 6.686 ( -1.463 -12.785 9.459) 15.971 7.271 ( -3.525 5.271 -8.000) 10.208 7.499 ( 1.437 7.319 7.402) 10.508 8.112 ( 1.230 7.039 6.930) 9.955 8.477 ( -4.454 7.842 -1.202) 9.098 8.643 ( 2.833 -6.694 7.246) 10.264 9.046 ( -4.917 -3.146 3.635) 6.877 9.338 ( 5.353 0.065 21.978) 22.620 9.570 ( 5.370 -6.294 -1.403) 8.392 10.062 ( -1.777 -1.293 1.757) 2.813 10.224 ( -14.279 -0.307 12.849) 19.211 10.702 ( 1.198 -1.396 -0.374) 1.877 10.839 ( 13.459 2.334 7.490) 15.579 10.961 ( -2.033 -1.511 3.931) 4.676 11.526 ( 1.761 -0.799 2.036) 2.808 12.005 ( -13.808 2.221 -0.607) 13.998 12.413 ( -18.548 -1.400 1.803) 18.687 12.679 ( 13.112 0.134 -2.568) 13.362 12.914 ( 2.231 -1.222 -12.550) 12.805 13.167 ( 15.039 -0.206 -0.328) 15.044 13.245 ( -4.193 -1.525 -19.140) 19.653 13.635 ( -3.284 1.539 -8.972) 9.677 13.781 ( -0.673 0.149 -8.554) 8.582======================= Grid point 226 (83/140) =======================q-point: ( 0.33 0.46 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( 4.756 0.486 -0.352) 4.794 2.295 ( -0.261 -0.052 1.866) 1.885 2.714 ( -2.329 0.865 1.808) 3.073 2.730 ( -2.616 0.703 0.883) 2.849 3.257 ( 2.977 1.422 -1.692) 3.708 3.397 ( -3.003 1.163 0.879) 3.339 4.825 ( 22.418 5.352 -1.993) 23.134 5.162 ( 14.288 -1.466 -4.140) 14.948 5.387 ( 7.745 10.029 -4.146) 13.333 5.568 ( -6.411 -2.893 -0.917) 7.093 5.808 ( 0.977 8.294 -3.082) 8.902 5.998 ( 1.784 -2.513 -4.873) 5.766 6.304 ( -9.270 5.539 -1.574) 10.913 6.559 ( -10.527 -13.946 3.486) 17.818 7.286 ( 4.301 5.341 0.358) 6.867 7.485 ( -2.646 6.882 8.927) 11.579 8.147 ( 2.332 6.697 5.904) 9.227 8.348 ( -6.726 7.373 0.022) 9.980 8.733 ( 4.927 -4.130 6.150) 8.898 8.938 ( -5.003 -2.611 4.147) 7.003 9.476 ( 7.789 -0.841 20.573) 22.014 9.708 ( 7.069 -4.287 -1.722) 8.444 9.932 ( -12.590 -1.616 15.954) 20.387 9.997 ( -4.736 -2.631 0.099) 5.418 10.742 ( 2.650 -1.236 1.297) 3.199 10.884 ( -3.549 -0.394 3.253) 4.830 11.139 ( 13.488 2.058 4.658) 14.417 11.592 ( 4.465 -0.949 1.451) 4.789 11.715 ( -13.163 2.426 1.041) 13.425 12.039 ( -16.014 -3.124 1.304) 16.368 12.866 ( 4.736 -0.821 -13.748) 14.564 13.045 ( 5.436 -0.336 -6.511) 8.489 13.154 ( 0.219 -0.798 -15.765) 15.786 13.445 ( 10.956 0.123 -2.512) 11.241 13.531 ( -6.542 1.839 -7.022) 9.771 13.744 ( -3.163 -0.458 -6.839) 7.549======================= Grid point 227 (84/140) =======================q-point: (-0.50 0.46 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.275 ( -2.025 0.113 0.621) 2.121 2.275 ( 2.025 0.113 0.621) 2.121 2.691 ( -0.516 0.887 1.437) 1.766 2.691 ( 0.516 0.887 1.437) 1.766 3.327 ( -3.483 1.293 -0.331) 3.730 3.327 ( 3.483 1.293 -0.331) 3.730 5.267 ( -17.450 3.378 -0.655) 17.786 5.267 ( 17.450 3.378 -0.655) 17.786 5.394 ( -7.184 2.126 -1.657) 7.673 5.394 ( 7.184 2.126 -1.657) 7.673 5.979 ( -10.855 14.169 -3.860) 18.262 5.979 ( 10.855 14.169 -3.860) 18.262 6.285 ( -12.648 -15.128 -4.227) 20.166 6.285 ( 12.648 -15.128 -4.227) 20.166 7.398 ( -5.246 5.443 6.621) 10.050 7.398 ( 5.246 5.443 6.621) 10.050 8.221 ( -4.828 7.295 3.491) 9.418 8.221 ( 4.828 7.295 3.491) 9.418 8.836 ( -4.754 -2.899 4.563) 7.199 8.836 ( 4.754 -2.899 4.563) 7.199 9.670 ( -10.332 -0.535 18.544) 21.235 9.670 ( 10.332 -0.535 18.544) 21.235 9.874 ( -6.588 -4.461 -1.055) 8.026 9.874 ( 6.588 -4.461 -1.055) 8.026 10.808 ( -3.443 -0.863 2.575) 4.385 10.808 ( 3.443 -0.863 2.575) 4.385 11.422 ( -13.335 3.395 2.254) 13.943 11.422 ( 13.335 3.395 2.254) 13.943 11.757 ( -10.327 -3.211 1.380) 10.902 11.757 ( 10.327 -3.211 1.380) 10.902 12.969 ( -5.571 -1.346 -15.875) 16.878 12.969 ( 5.571 -1.346 -15.875) 16.878 13.347 ( -10.409 1.574 -5.619) 11.933 13.347 ( 10.409 1.574 -5.619) 11.933 13.638 ( -6.958 -0.399 -4.662) 8.385 13.638 ( 6.958 -0.399 -4.662) 8.385======================= Grid point 273 (85/140) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( 0.000 0.000 13.203) 13.203 1.943 ( 0.000 0.000 22.782) 22.782 2.413 ( 0.000 0.000 2.978) 2.978 2.520 ( 0.000 0.000 -1.672) 1.672 2.557 ( 0.000 0.000 -3.698) 3.698 2.860 ( 0.000 0.000 16.494) 16.494 3.683 ( 0.000 0.000 23.612) 23.612 3.919 ( 0.000 0.000 -3.767) 3.767 4.093 ( 0.000 0.000 -5.603) 5.603 4.472 ( 0.000 0.000 -10.556) 10.556 4.922 ( 0.000 0.000 31.085) 31.085 5.097 ( 0.000 0.000 -9.908) 9.908 5.321 ( 0.000 0.000 -20.829) 20.829 6.081 ( 0.000 0.000 2.203) 2.203 6.455 ( 0.000 0.000 -7.127) 7.127 7.292 ( 0.000 0.000 -25.357) 25.357 7.702 ( 0.000 0.000 10.030) 10.030 7.974 ( 0.000 0.000 8.737) 8.737 9.686 ( 0.000 0.000 4.417) 4.417 9.992 ( 0.000 0.000 7.239) 7.239 10.014 ( 0.000 0.000 10.576) 10.576 10.071 ( 0.000 0.000 0.383) 0.383 10.371 ( 0.000 0.000 19.076) 19.076 10.470 ( 0.000 0.000 -1.054) 1.054 10.892 ( 0.000 0.000 8.438) 8.438 11.072 ( 0.000 0.000 -2.601) 2.601 11.537 ( 0.000 0.000 -0.388) 0.388 11.538 ( 0.000 0.000 4.153) 4.153 11.783 ( 0.000 0.000 -7.710) 7.710 11.960 ( 0.000 0.000 -5.632) 5.632 12.243 ( 0.000 0.000 -1.718) 1.718 12.670 ( 0.000 0.000 -5.266) 5.266 12.988 ( 0.000 0.000 4.155) 4.155 13.631 ( 0.000 0.000 -9.458) 9.458 13.686 ( 0.000 0.000 -3.767) 3.767 14.045 ( 0.000 0.000 -8.048) 8.048======================= Grid point 274 (86/140) =======================q-point: ( 0.17 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( 8.084 0.000 10.770) 13.466 1.995 ( 4.775 0.000 20.338) 20.891 2.356 ( -2.860 0.000 1.279) 3.133 2.526 ( -2.889 0.000 -2.446) 3.785 2.635 ( 6.822 0.000 -0.352) 6.831 2.826 ( -2.613 0.000 16.414) 16.620 3.745 ( 5.512 0.000 22.304) 22.975 3.925 ( 0.642 0.000 -3.696) 3.752 4.075 ( -1.602 0.000 -5.155) 5.398 4.416 ( -5.150 0.000 -7.386) 9.004 5.107 ( 16.803 0.000 31.793) 35.960 5.159 ( 6.229 0.000 -14.705) 15.970 5.417 ( 7.788 0.000 -21.440) 22.811 6.109 ( 2.554 0.000 1.385) 2.906 6.432 ( -2.115 0.000 -6.631) 6.960 7.248 ( -5.394 0.000 -16.820) 17.664 7.561 ( -10.649 0.000 7.547) 13.052 7.944 ( -3.579 0.000 6.117) 7.087 9.707 ( 1.897 0.000 4.362) 4.757 9.940 ( -3.319 0.000 9.469) 10.034 10.007 ( -0.943 0.000 10.606) 10.648 10.036 ( -3.123 0.000 1.168) 3.334 10.387 ( 1.446 0.000 12.907) 12.988 10.523 ( 3.819 0.000 -0.072) 3.819 10.936 ( 3.973 0.000 7.221) 8.242 11.102 ( 2.542 0.000 0.998) 2.731 11.480 ( -4.932 0.000 -0.334) 4.943 11.658 ( 10.116 0.000 0.800) 10.148 11.743 ( -3.417 0.000 -7.026) 7.812 11.998 ( 3.135 0.000 -5.071) 5.962 12.233 ( -1.015 0.000 -1.899) 2.153 12.601 ( -5.959 0.000 -6.380) 8.731 13.060 ( 5.235 0.000 4.182) 6.701 13.502 ( -10.618 0.000 -4.562) 11.556 13.687 ( 0.118 0.000 -5.297) 5.298 13.986 ( -4.648 0.000 -8.713) 9.876======================= Grid point 275 (87/140) =======================q-point: ( 0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( 9.638 0.000 6.674) 11.723 2.130 ( 7.490 0.000 14.308) 16.150 2.293 ( -3.763 0.000 0.361) 3.780 2.435 ( -5.641 0.000 1.310) 5.791 2.732 ( 1.929 0.000 5.811) 6.122 2.780 ( -1.356 0.000 12.322) 12.397 3.896 ( 8.282 0.000 17.348) 19.224 3.946 ( 1.374 0.000 -3.579) 3.834 4.031 ( -2.321 0.000 -4.271) 4.861 4.267 ( -8.390 0.000 0.269) 8.394 5.349 ( 10.599 0.000 -20.106) 22.729 5.556 ( 7.461 0.000 -9.735) 12.265 5.616 ( 26.045 0.000 14.102) 29.618 6.183 ( 4.205 0.000 -0.652) 4.255 6.368 ( -3.778 0.000 -5.209) 6.435 6.926 ( -25.222 0.000 13.263) 28.497 7.457 ( 2.522 0.000 -9.211) 9.550 7.811 ( -8.715 0.000 1.669) 8.874 9.765 ( 3.525 0.000 4.144) 5.440 9.897 ( -0.418 0.000 11.161) 11.169 9.951 ( -4.606 0.000 2.575) 5.277 9.969 ( -2.473 0.000 11.064) 11.337 10.443 ( 3.722 0.000 5.431) 6.584 10.571 ( -0.023 0.000 -1.574) 1.574 11.048 ( 6.394 0.000 4.680) 7.924 11.196 ( 7.006 0.000 6.421) 9.503 11.350 ( -6.988 0.000 0.465) 7.003 11.608 ( -8.426 0.000 -0.356) 8.433 11.931 ( 13.293 0.000 -6.149) 14.646 12.073 ( 3.676 0.000 -4.110) 5.514 12.200 ( -2.064 0.000 -2.415) 3.177 12.430 ( -9.933 0.000 -6.492) 11.866 13.152 ( 2.750 0.000 1.787) 3.279 13.284 ( -7.876 0.000 -1.496) 8.017 13.706 ( 2.079 0.000 -6.498) 6.823 13.880 ( -5.031 0.000 -8.067) 9.507======================= Grid point 276 (88/140) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.177 ( -7.302 0.000 2.772) 7.810 2.177 ( 7.302 0.000 2.772) 7.810 2.293 ( -7.545 0.000 7.266) 10.475 2.293 ( 7.545 0.000 7.266) 10.475 2.756 ( -1.137 0.000 9.562) 9.629 2.756 ( 1.137 0.000 9.562) 9.629 3.983 ( -2.078 0.000 -3.684) 4.230 3.983 ( 2.078 0.000 -3.684) 4.230 4.081 ( -8.957 0.000 9.359) 12.955 4.081 ( 8.957 0.000 9.359) 12.955 5.542 ( -6.099 0.000 -23.950) 24.714 5.542 ( 6.099 0.000 -23.950) 24.714 6.278 ( -4.580 0.000 -3.079) 5.518 6.278 ( 4.580 0.000 -3.079) 5.518 6.288 ( -33.005 0.000 22.656) 40.033 6.288 ( 33.005 0.000 22.656) 40.033 7.604 ( -9.770 0.000 -4.396) 10.714 7.604 ( 9.770 0.000 -4.396) 10.714 9.852 ( -4.564 0.000 3.606) 5.817 9.852 ( 4.564 0.000 3.606) 5.817 9.917 ( -2.036 0.000 11.404) 11.585 9.917 ( 2.036 0.000 11.404) 11.585 10.527 ( -3.634 0.000 0.031) 3.634 10.527 ( 3.634 0.000 0.031) 3.634 11.196 ( -7.325 0.000 2.222) 7.654 11.196 ( 7.325 0.000 2.222) 7.654 11.394 ( -10.854 0.000 5.448) 12.144 11.394 ( 10.854 0.000 5.448) 12.144 12.146 ( -3.052 0.000 -3.186) 4.412 12.146 ( 3.052 0.000 -3.186) 4.412 12.198 ( -11.778 0.000 -6.774) 13.587 12.198 ( 11.778 0.000 -6.774) 13.587 13.189 ( -1.929 0.000 -1.357) 2.358 13.189 ( 1.929 0.000 -1.357) 2.358 13.778 ( -4.415 0.000 -6.717) 8.038 13.778 ( 4.415 0.000 -6.717) 8.038======================= Grid point 280 (89/140) =======================q-point: ( 0.00 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 0.000 3.322 11.431) 11.904 2.021 ( 0.000 6.883 20.923) 22.026 2.433 ( 0.000 3.539 1.588) 3.879 2.533 ( 0.000 1.382 -1.460) 2.011 2.659 ( 0.000 8.137 -2.364) 8.474 2.876 ( 0.000 2.239 13.710) 13.891 3.686 ( 0.000 0.466 23.260) 23.264 4.042 ( 0.000 11.181 -0.218) 11.183 4.241 ( 0.000 14.003 -4.956) 14.854 4.553 ( 0.000 8.628 -10.395) 13.510 4.925 ( 0.000 1.562 22.339) 22.393 5.162 ( 0.000 7.055 -4.556) 8.399 5.297 ( 0.000 -2.341 -20.328) 20.462 6.229 ( 0.000 13.481 2.321) 13.679 6.506 ( 0.000 4.942 -7.682) 9.135 7.302 ( 0.000 1.665 -21.340) 21.405 7.671 ( 0.000 -3.193 9.721) 10.232 7.951 ( 0.000 -2.304 8.559) 8.864 9.636 ( 0.000 -5.133 4.223) 6.647 9.917 ( 0.000 -8.688 -3.053) 9.209 9.977 ( 0.000 -3.618 10.743) 11.336 10.074 ( 0.000 4.278 11.712) 12.469 10.348 ( 0.000 -2.240 18.849) 18.982 10.622 ( 0.000 11.610 -4.263) 12.368 10.754 ( 0.000 -9.852 6.556) 11.834 11.141 ( 0.000 1.029 -4.160) 4.285 11.390 ( 0.000 -5.375 -0.771) 5.430 11.637 ( 0.000 -4.713 -1.085) 4.836 11.736 ( 0.000 9.375 6.114) 11.192 12.196 ( 0.000 15.235 -9.683) 18.051 12.201 ( 0.000 -3.342 -2.078) 3.935 12.682 ( 0.000 1.227 -4.687) 4.845 13.012 ( 0.000 2.010 3.782) 4.283 13.570 ( 0.000 -10.595 -2.574) 10.903 13.606 ( 0.000 -2.362 -9.236) 9.533 13.968 ( 0.000 -7.481 -8.644) 11.432======================= Grid point 281 (90/140) =======================q-point: ( 0.17 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 7.599 2.706 9.275) 12.292 2.070 ( 4.487 6.513 18.402) 20.030 2.381 ( -2.679 3.468 0.978) 4.490 2.598 ( -0.283 4.862 -2.476) 5.464 2.666 ( 3.499 3.995 0.667) 5.353 2.845 ( -2.412 2.615 13.424) 13.888 3.755 ( 6.029 1.252 21.265) 22.138 4.059 ( 1.478 12.339 -0.577) 12.441 4.228 ( -1.180 14.637 -4.282) 15.296 4.488 ( -5.861 7.683 -7.531) 12.251 5.088 ( 14.796 -1.022 17.817) 23.182 5.224 ( 6.109 7.108 -2.837) 9.792 5.388 ( 7.594 -2.520 -21.118) 22.583 6.261 ( 2.804 13.732 1.586) 14.104 6.492 ( -1.167 5.753 -6.697) 8.906 7.251 ( -6.136 0.857 -13.258) 14.635 7.540 ( -9.697 -1.950 6.643) 11.915 7.916 ( -3.805 -2.746 6.231) 7.800 9.650 ( 1.196 -5.613 4.246) 7.139 9.839 ( -4.217 -9.788 2.322) 10.908 9.984 ( -2.450 1.902 10.434) 10.885 10.068 ( 0.875 -0.353 9.314) 9.362 10.392 ( 2.821 0.095 14.344) 14.619 10.621 ( 0.305 8.492 -4.678) 9.700 10.802 ( 4.227 -9.464 6.444) 12.205 11.154 ( 1.435 -0.241 0.151) 1.462 11.453 ( -0.280 1.098 -0.325) 1.178 11.542 ( -0.127 -10.119 -2.224) 10.362 11.807 ( 2.524 7.956 3.188) 8.935 12.171 ( -2.683 -3.855 -2.994) 5.570 12.220 ( 2.614 14.962 -7.907) 17.124 12.653 ( -2.583 4.152 -5.626) 7.455 13.067 ( 4.056 0.582 3.337) 5.284 13.417 ( -10.234 -7.939 -3.361) 13.381 13.649 ( 1.232 -3.365 -6.371) 7.310 13.918 ( -4.027 -6.689 -9.079) 11.975======================= Grid point 282 (91/140) =======================q-point: ( 0.33 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 9.236 1.785 5.541) 10.917 2.192 ( 5.932 4.730 11.010) 13.371 2.328 ( -2.241 4.651 2.320) 5.660 2.520 ( -5.526 7.155 0.955) 9.091 2.742 ( 2.029 1.311 4.801) 5.375 2.797 ( -1.808 2.509 10.912) 11.342 3.916 ( 8.620 2.841 14.591) 17.184 4.098 ( 2.133 14.087 -0.663) 14.263 4.192 ( -2.178 15.527 -3.001) 15.963 4.325 ( -8.868 6.013 0.097) 10.715 5.369 ( 9.036 1.509 -20.196) 22.177 5.496 ( 10.034 -4.420 -0.563) 10.978 5.612 ( 21.840 0.780 4.532) 22.319 6.331 ( 2.883 12.490 -0.304) 12.822 6.463 ( -1.430 9.055 -3.619) 9.856 6.929 ( -23.579 0.794 12.616) 26.753 7.446 ( 2.035 -0.798 -8.103) 8.393 7.782 ( -8.654 -2.931 1.992) 9.351 9.682 ( 1.744 -7.156 4.405) 8.582 9.767 ( -2.611 -10.432 3.871) 11.430 9.948 ( -0.107 2.769 11.670) 11.994 10.050 ( -2.699 1.288 9.205) 9.679 10.460 ( 3.905 1.744 5.548) 7.005 10.616 ( -1.606 4.069 -4.329) 6.154 10.922 ( 6.946 -8.549 6.280) 12.679 11.196 ( 0.159 -4.923 1.828) 5.254 11.348 ( -2.207 2.141 8.249) 8.803 11.605 ( -1.985 -4.577 -2.559) 5.607 11.852 ( 4.254 1.348 -1.110) 4.599 12.092 ( -4.587 -5.036 -4.357) 8.086 12.315 ( 6.014 15.537 -6.361) 17.834 12.574 ( -4.893 10.036 -6.070) 12.709 13.134 ( 1.609 -1.750 0.200) 2.385 13.220 ( -6.702 -5.783 -2.692) 9.252 13.676 ( 1.942 -2.953 -6.336) 7.255 13.826 ( -4.324 -5.285 -7.945) 10.476======================= Grid point 283 (92/140) =======================q-point: (-0.50 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.183 ( -6.319 0.980 2.376) 6.821 2.183 ( 6.319 0.980 2.376) 6.821 2.385 ( -6.688 8.019 6.246) 12.167 2.385 ( 6.688 8.019 6.246) 12.167 2.768 ( -1.072 1.719 8.368) 8.609 2.768 ( 1.072 1.719 8.368) 8.609 4.095 ( -6.851 7.561 1.551) 10.320 4.095 ( 6.851 7.561 1.551) 10.320 4.168 ( -3.335 12.145 4.505) 13.376 4.168 ( 3.335 12.145 4.505) 13.376 5.521 ( -4.234 -1.583 -20.861) 21.345 5.521 ( 4.234 -1.583 -20.861) 21.345 6.195 ( -23.984 -2.568 10.270) 26.216 6.195 ( 23.984 -2.568 10.270) 26.216 6.491 ( -8.167 14.105 6.919) 17.707 6.491 ( 8.167 14.105 6.919) 17.707 7.579 ( -9.297 -2.285 -3.795) 10.299 7.579 ( 9.297 -2.285 -3.795) 10.299 9.721 ( -1.926 -9.218 4.469) 10.424 9.721 ( 1.926 -9.218 4.469) 10.424 9.982 ( -2.968 2.536 10.500) 11.202 9.982 ( 2.968 2.536 10.500) 11.202 10.550 ( -4.157 2.274 -1.087) 4.861 10.550 ( 4.157 2.274 -1.087) 4.861 11.083 ( -7.818 -7.685 4.296) 11.774 11.083 ( 7.818 -7.685 4.296) 11.774 11.459 ( -8.896 1.611 6.837) 11.335 11.459 ( 8.896 1.611 6.837) 11.335 11.978 ( -6.188 -4.869 -5.398) 9.547 11.978 ( 6.188 -4.869 -5.398) 9.547 12.451 ( -6.435 14.378 -5.973) 16.847 12.451 ( 6.435 14.378 -5.973) 16.847 13.149 ( -0.938 -3.848 -3.112) 5.037 13.149 ( 0.938 -3.848 -3.112) 5.037 13.739 ( -3.790 -3.807 -6.332) 8.303 13.739 ( 3.790 -3.807 -6.332) 8.303======================= Grid point 287 (93/140) =======================q-point: ( 0.00 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 0.000 4.834 7.342) 8.791 2.158 ( 0.000 6.313 15.252) 16.507 2.569 ( 0.000 9.772 1.782) 9.933 2.576 ( 0.000 3.000 -1.135) 3.208 2.785 ( 0.000 3.652 3.859) 5.313 2.990 ( 0.000 9.472 3.645) 10.149 3.706 ( 0.000 1.690 21.894) 21.959 4.272 ( 0.000 10.595 8.817) 13.784 4.553 ( 0.000 15.360 -5.202) 16.217 4.844 ( 0.000 21.756 -8.239) 23.264 5.024 ( 0.000 8.514 1.658) 8.674 5.240 ( 0.000 -2.877 -18.425) 18.649 5.400 ( 0.000 17.546 3.318) 17.857 6.489 ( 0.000 9.145 -0.283) 9.149 6.676 ( 0.000 14.826 -4.037) 15.366 7.393 ( 0.000 8.241 -11.123) 13.843 7.577 ( 0.000 -6.330 8.644) 10.714 7.890 ( 0.000 -3.717 7.614) 8.473 9.494 ( 0.000 -9.082 3.677) 9.798 9.731 ( 0.000 -9.695 -3.619) 10.349 9.884 ( 0.000 -5.469 11.797) 13.004 10.202 ( 0.000 8.070 11.308) 13.892 10.291 ( 0.000 -3.544 17.130) 17.493 10.555 ( 0.000 -10.260 5.463) 11.624 10.821 ( 0.000 7.355 -4.587) 8.669 11.040 ( 0.000 -9.221 -5.027) 10.502 11.319 ( 0.000 -2.545 -2.509) 3.573 11.682 ( 0.000 7.138 1.952) 7.400 11.815 ( 0.000 -2.704 6.756) 7.277 12.200 ( 0.000 5.043 1.404) 5.235 12.470 ( 0.000 11.871 -12.875) 17.512 12.718 ( 0.000 2.410 -2.867) 3.745 13.027 ( 0.000 -2.064 2.081) 2.931 13.366 ( 0.000 -7.251 -2.588) 7.699 13.551 ( 0.000 -2.838 -8.583) 9.039 13.773 ( 0.000 -11.870 -10.245) 15.680======================= Grid point 288 (94/140) =======================q-point: ( 0.17 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 6.472 4.050 5.923) 9.663 2.196 ( 3.303 5.534 12.413) 13.987 2.496 ( -2.582 7.112 2.058) 7.841 2.685 ( 4.131 5.500 -1.247) 6.991 2.756 ( -1.655 3.440 5.237) 6.481 2.966 ( -2.078 9.538 4.027) 10.560 3.801 ( 8.232 3.599 19.112) 21.119 4.328 ( 4.747 13.115 7.070) 15.637 4.552 ( -0.517 15.180 -3.608) 15.612 4.763 ( -7.033 21.930 -7.048) 24.085 5.114 ( 8.441 4.336 1.108) 9.554 5.319 ( 7.029 -2.680 -16.632) 18.254 5.467 ( 6.241 16.433 1.748) 17.665 6.532 ( 3.868 9.890 0.363) 10.626 6.666 ( -1.079 13.888 -3.897) 14.465 7.309 ( -9.364 5.132 -1.920) 10.849 7.501 ( -4.783 -1.061 1.990) 5.288 7.843 ( -4.501 -4.468 6.135) 8.824 9.501 ( 0.557 -9.243 3.589) 9.931 9.643 ( -5.218 -9.838 1.582) 11.248 9.953 ( 3.164 -4.702 7.520) 9.416 10.098 ( -4.671 2.750 13.194) 14.264 10.401 ( 5.407 1.110 13.294) 14.394 10.610 ( 4.824 -9.459 4.645) 11.590 10.770 ( -3.117 4.346 -4.843) 7.215 11.073 ( 2.027 -5.819 -0.857) 6.222 11.374 ( 3.139 -5.771 -4.138) 7.764 11.543 ( -7.743 4.234 6.352) 10.873 11.858 ( 0.553 -2.726 3.959) 4.838 12.201 ( -0.728 7.851 -0.903) 7.936 12.498 ( 3.128 12.345 -10.761) 16.672 12.722 ( 0.419 2.104 -4.357) 4.856 13.056 ( 1.964 -2.918 0.123) 3.520 13.270 ( -7.207 -4.267 -3.321) 9.010 13.577 ( 1.370 -3.546 -7.136) 8.085 13.742 ( -2.389 -10.593 -9.787) 14.619======================= Grid point 289 (95/140) =======================q-point: ( 0.33 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( 8.244 2.655 3.390) 9.301 2.264 ( 1.517 2.793 4.305) 5.352 2.468 ( 0.747 7.688 6.197) 9.903 2.650 ( -4.553 5.221 3.053) 7.570 2.797 ( 2.816 4.754 3.196) 6.383 2.909 ( -3.064 8.842 5.056) 10.636 4.014 ( 11.155 7.290 12.200) 18.067 4.428 ( 2.217 17.071 1.383) 17.270 4.498 ( -4.778 12.968 2.264) 14.004 4.605 ( -5.377 24.394 -3.694) 25.252 5.355 ( 11.655 -2.534 -7.154) 13.908 5.468 ( 5.261 1.317 -14.025) 15.037 5.697 ( 17.022 9.107 4.769) 19.886 6.556 ( -8.315 7.992 1.231) 11.598 6.675 ( 5.617 10.978 -0.258) 12.335 7.016 ( -14.606 10.281 8.940) 19.974 7.451 ( 0.334 2.014 -4.849) 5.262 7.703 ( -8.259 -4.695 2.649) 9.863 9.512 ( 0.453 -9.850 3.451) 10.447 9.558 ( -2.645 -10.603 3.477) 11.467 9.978 ( 0.246 -0.718 9.167) 9.199 10.039 ( -1.756 -0.758 11.491) 11.649 10.497 ( 4.187 1.080 5.842) 7.268 10.663 ( -2.259 -2.182 -4.579) 5.553 10.791 ( 6.923 -2.698 5.902) 9.489 11.096 ( -1.570 -3.645 1.652) 4.298 11.329 ( -2.818 -3.769 8.824) 10.001 11.485 ( -1.778 -7.199 2.499) 7.825 11.870 ( 2.746 0.300 0.687) 2.847 12.133 ( -5.657 7.267 -3.841) 9.978 12.600 ( 5.713 12.779 -8.145) 16.195 12.733 ( 0.224 4.437 -6.833) 8.151 13.067 ( -1.189 -4.897 -6.086) 7.901 13.133 ( -4.688 -1.131 -3.681) 6.067 13.602 ( 1.457 -4.211 -5.922) 7.411 13.693 ( -2.158 -7.505 -7.105) 10.557======================= Grid point 290 (96/140) =======================q-point: (-0.50 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( -5.788 1.739 1.279) 6.177 2.212 ( 5.788 1.739 1.279) 6.177 2.543 ( -5.224 6.658 5.973) 10.358 2.543 ( 5.224 6.658 5.973) 10.358 2.849 ( -2.482 6.916 4.757) 8.753 2.849 ( 2.482 6.916 4.757) 8.753 4.257 ( -11.558 10.285 4.847) 16.213 4.257 ( 11.558 10.285 4.847) 16.213 4.531 ( -3.082 22.043 0.583) 22.265 4.531 ( 3.082 22.043 0.583) 22.265 5.505 ( -2.309 0.366 -14.147) 14.339 5.505 ( 2.309 0.366 -14.147) 14.339 6.171 ( -24.533 0.278 7.400) 25.626 6.171 ( 24.533 0.278 7.400) 25.626 6.810 ( -6.420 17.470 4.799) 19.221 6.810 ( 6.420 17.470 4.799) 19.221 7.529 ( -6.952 -2.208 -2.036) 7.573 7.529 ( 6.952 -2.208 -2.036) 7.573 9.524 ( -0.862 -10.577 3.568) 11.196 9.524 ( 0.862 -10.577 3.568) 11.196 9.999 ( -1.778 -0.413 10.512) 10.669 9.999 ( 1.778 -0.413 10.512) 10.669 10.587 ( -4.213 0.049 -1.284) 4.405 10.587 ( 4.213 0.049 -1.284) 4.405 10.967 ( -8.609 -3.015 5.230) 10.515 10.967 ( 8.609 -3.015 5.230) 10.515 11.386 ( -5.974 -7.616 8.652) 12.983 11.386 ( 5.974 -7.616 8.652) 12.983 11.988 ( -7.241 3.817 -3.731) 8.995 11.988 ( 7.241 3.817 -3.731) 8.995 12.703 ( -3.391 10.193 -7.483) 13.092 12.703 ( 3.391 10.193 -7.483) 13.092 13.063 ( -1.842 -3.721 -7.261) 8.364 13.063 ( 1.842 -3.721 -7.261) 8.364 13.645 ( -2.359 -5.195 -5.207) 7.724 13.645 ( 2.359 -5.195 -5.207) 7.724======================= Grid point 294 (97/140) =======================q-point: ( 0.00 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 0.000 4.359 3.352) 5.499 2.260 ( 0.000 4.050 8.746) 9.638 2.645 ( 0.000 3.798 -1.060) 3.944 2.775 ( 0.000 10.177 3.006) 10.611 2.830 ( 0.000 1.718 4.510) 4.827 3.190 ( 0.000 9.878 -0.356) 9.884 3.757 ( 0.000 3.641 18.406) 18.763 4.443 ( 0.000 7.497 11.783) 13.965 4.789 ( 0.000 7.067 -9.401) 11.761 5.195 ( 0.000 5.211 -9.467) 10.806 5.224 ( 0.000 10.887 -8.214) 13.638 5.395 ( 0.000 27.819 -6.503) 28.569 5.780 ( 0.000 17.611 -5.636) 18.490 6.657 ( 0.000 12.507 7.741) 14.709 7.016 ( 0.000 16.578 3.124) 16.870 7.426 ( 0.000 -8.968 6.408) 11.022 7.615 ( 0.000 13.309 -2.703) 13.580 7.824 ( 0.000 -1.903 4.631) 5.007 9.295 ( 0.000 -10.946 3.120) 11.381 9.544 ( 0.000 -9.315 -4.968) 10.558 9.781 ( 0.000 -4.761 13.940) 14.731 10.190 ( 0.000 -7.853 9.748) 12.518 10.374 ( 0.000 9.194 11.640) 14.833 10.375 ( 0.000 -7.032 8.043) 10.683 10.853 ( 0.000 -9.063 -1.360) 9.164 10.895 ( 0.000 0.492 -1.734) 1.802 11.249 ( 0.000 -5.198 -1.028) 5.299 11.720 ( 0.000 -4.505 2.378) 5.094 11.840 ( 0.000 8.075 -0.180) 8.077 12.336 ( 0.000 6.838 8.194) 10.672 12.634 ( 0.000 4.682 -15.454) 16.148 12.776 ( 0.000 3.358 -0.117) 3.360 12.933 ( 0.000 -5.487 -5.640) 7.869 13.313 ( 0.000 -0.784 -1.541) 1.729 13.514 ( 0.000 -0.584 -7.994) 8.015 13.532 ( 0.000 -11.412 -12.688) 17.066======================= Grid point 295 (98/140) =======================q-point: ( 0.17 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( 5.297 3.716 2.800) 7.051 2.282 ( 1.853 3.363 6.607) 7.641 2.611 ( -2.220 4.542 1.813) 5.371 2.798 ( -2.764 2.207 4.031) 5.363 2.839 ( 4.573 8.426 1.737) 9.743 3.165 ( -2.254 9.786 0.387) 10.050 3.898 ( 12.201 6.363 15.132) 20.453 4.533 ( 8.364 8.117 12.008) 16.734 4.804 ( 0.148 10.127 -7.114) 12.377 5.213 ( 2.649 7.248 -10.775) 13.254 5.278 ( -7.536 20.130 -8.428) 23.088 5.328 ( 7.209 10.828 -4.857) 13.885 5.837 ( 4.277 18.283 -4.827) 19.387 6.700 ( 4.008 11.336 7.133) 13.980 6.940 ( -7.959 9.902 2.175) 12.889 7.387 ( -2.482 2.025 5.762) 6.592 7.578 ( -3.581 8.658 -0.623) 9.390 7.775 ( -4.313 -0.160 3.497) 5.554 9.301 ( 0.473 -10.857 3.031) 11.282 9.460 ( -5.591 -8.778 -0.024) 10.408 9.851 ( 4.433 -5.077 9.857) 11.941 10.111 ( -4.570 -2.388 9.937) 11.196 10.392 ( 2.042 -5.057 9.530) 10.980 10.484 ( 6.347 -0.434 7.980) 10.206 10.776 ( -2.543 -1.837 -1.118) 3.330 10.982 ( 4.073 -3.870 0.116) 5.620 11.254 ( 0.096 -7.166 -0.709) 7.202 11.597 ( -9.855 1.933 2.963) 10.471 11.829 ( 0.109 0.790 3.805) 3.888 12.376 ( 0.100 8.411 1.726) 8.587 12.677 ( 3.961 5.132 -12.851) 14.393 12.713 ( -2.398 -2.460 -2.411) 4.197 12.982 ( 2.321 -2.697 -8.297) 9.028 13.262 ( -3.974 1.313 -2.051) 4.660 13.498 ( -0.570 -7.150 -8.594) 11.194 13.562 ( 1.662 -3.859 -8.777) 9.731======================= Grid point 296 (99/140) =======================q-point: ( 0.33 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.108 ( 7.091 2.514 1.711) 7.715 2.309 ( -0.376 1.710 1.943) 2.616 2.584 ( 0.335 4.300 5.369) 6.887 2.722 ( -4.184 2.395 4.426) 6.545 2.932 ( 4.062 8.244 1.288) 9.280 3.100 ( -3.725 9.616 1.408) 10.408 4.201 ( 14.942 11.638 8.078) 20.590 4.722 ( -2.838 14.194 0.531) 14.484 4.778 ( 6.775 12.578 6.277) 15.605 5.087 ( -8.002 22.067 -5.333) 24.071 5.334 ( 9.082 1.702 -9.070) 12.948 5.525 ( 7.468 5.239 -5.778) 10.798 5.952 ( 7.697 14.997 -2.775) 17.084 6.626 ( -17.559 0.910 3.176) 17.867 6.869 ( 8.844 9.705 4.025) 13.733 7.326 ( -5.796 18.956 3.546) 20.137 7.497 ( -1.547 -1.253 3.326) 3.876 7.662 ( -5.841 4.834 1.096) 7.661 9.309 ( 0.247 -10.628 2.798) 10.993 9.362 ( -3.336 -9.330 2.584) 10.240 9.927 ( 2.750 -3.411 8.844) 9.870 10.035 ( -2.795 -0.554 10.007) 10.405 10.449 ( 3.152 -5.953 7.334) 9.958 10.552 ( -0.290 -7.390 2.859) 7.929 10.813 ( 6.067 3.836 2.483) 7.596 11.043 ( 1.192 -3.261 1.256) 3.692 11.230 ( -2.319 -7.387 3.338) 8.432 11.381 ( -9.167 -0.009 7.234) 11.678 11.882 ( 5.287 0.022 2.533) 5.862 12.262 ( -9.472 4.359 -0.524) 10.440 12.710 ( 2.760 -4.098 -13.128) 14.027 12.801 ( 4.336 6.439 -7.552) 10.831 12.998 ( 0.328 -2.741 -12.364) 12.669 13.169 ( -4.713 4.181 -3.423) 7.170 13.512 ( 1.893 -5.086 -4.785) 7.235 13.582 ( -0.012 -2.666 -6.110) 6.666======================= Grid point 297 (100/140) =======================q-point: (-0.50 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( -5.289 1.553 0.646) 5.550 2.245 ( 5.289 1.553 0.646) 5.550 2.633 ( -3.842 3.055 5.514) 7.382 2.633 ( 3.842 3.055 5.514) 7.382 3.016 ( -4.026 9.098 1.656) 10.086 3.016 ( 4.026 9.098 1.656) 10.086 4.504 ( -13.321 14.625 2.557) 19.947 4.504 ( 13.321 14.625 2.557) 19.947 4.948 ( -6.329 18.842 -0.237) 19.877 4.948 ( 6.329 18.842 -0.237) 19.877 5.536 ( -6.660 2.446 -5.300) 8.856 5.536 ( 6.660 2.446 -5.300) 8.856 6.222 ( -17.762 5.330 0.293) 18.547 6.222 ( 17.762 5.330 0.293) 18.547 7.111 ( -12.487 11.024 4.280) 17.198 7.111 ( 12.487 11.024 4.280) 17.198 7.546 ( -4.712 6.086 1.523) 7.846 7.546 ( 4.712 6.086 1.523) 7.846 9.319 ( -0.956 -10.157 2.856) 10.594 9.319 ( 0.956 -10.157 2.856) 10.594 9.980 ( -2.485 -1.287 9.538) 9.940 9.980 ( 2.485 -1.287 9.538) 9.940 10.514 ( -2.696 -7.063 3.773) 8.450 10.514 ( 2.696 -7.063 3.773) 8.450 10.972 ( -7.409 1.685 1.196) 7.691 10.972 ( 7.409 1.685 1.196) 7.691 11.239 ( -4.147 -5.450 8.823) 11.169 11.239 ( 4.147 -5.450 8.823) 11.169 12.047 ( -9.742 1.075 0.138) 9.802 12.047 ( 9.742 1.075 0.138) 9.802 12.791 ( -3.894 -1.329 -14.079) 14.668 12.791 ( 3.894 -1.329 -14.079) 14.668 13.063 ( -5.033 3.873 -6.653) 9.197 13.063 ( 5.033 3.873 -6.653) 9.197 13.559 ( -1.995 -3.114 -4.126) 5.541 13.559 ( 1.995 -3.114 -4.126) 5.541======================= Grid point 301 (101/140) =======================q-point: ( 0.00 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 0.000 2.972 0.884) 3.101 2.318 ( 0.000 1.919 4.494) 4.887 2.715 ( 0.000 3.158 -0.967) 3.302 2.850 ( 0.000 0.922 4.744) 4.833 2.957 ( 0.000 7.727 0.518) 7.745 3.355 ( 0.000 6.797 -0.259) 6.802 3.852 ( 0.000 6.052 12.348) 13.751 4.589 ( 0.000 7.785 6.205) 9.956 4.791 ( 0.000 -5.085 -13.131) 14.081 5.397 ( 0.000 4.925 -12.817) 13.731 5.403 ( 0.000 15.228 -1.642) 15.316 5.956 ( 0.000 27.052 -1.032) 27.071 6.024 ( 0.000 9.798 -9.477) 13.631 7.027 ( 0.000 21.405 16.849) 27.241 7.236 ( 0.000 5.153 11.967) 13.029 7.238 ( 0.000 -9.707 2.177) 9.948 7.782 ( 0.000 5.315 -1.875) 5.636 7.964 ( 0.000 15.444 0.163) 15.445 9.080 ( 0.000 -10.524 2.726) 10.872 9.370 ( 0.000 -8.397 -4.537) 9.544 9.702 ( 0.000 -3.556 15.292) 15.700 9.985 ( 0.000 -11.458 3.076) 11.864 10.283 ( 0.000 -3.507 10.782) 11.338 10.555 ( 0.000 9.001 11.790) 14.834 10.704 ( 0.000 -5.750 1.998) 6.087 10.860 ( 0.000 -3.170 1.414) 3.471 11.145 ( 0.000 -4.346 1.718) 4.673 11.654 ( 0.000 -2.848 1.727) 3.331 11.982 ( 0.000 6.320 -2.744) 6.890 12.435 ( 0.000 3.184 8.004) 8.614 12.666 ( 0.000 -0.763 -15.846) 15.865 12.837 ( 0.000 2.677 2.186) 3.456 12.858 ( 0.000 -2.136 -10.479) 10.695 13.199 ( 0.000 -10.619 -6.468) 12.434 13.424 ( 0.000 -0.113 -10.546) 10.546 13.528 ( 0.000 1.650 -8.506) 8.665======================= Grid point 302 (102/140) =======================q-point: ( 0.17 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( 4.490 2.616 0.835) 5.263 2.328 ( 0.743 1.371 3.453) 3.789 2.685 ( -2.206 3.171 0.803) 3.945 2.825 ( -2.454 0.875 4.082) 4.842 3.000 ( 3.475 7.142 0.267) 7.947 3.329 ( -2.314 6.776 0.183) 7.163 4.044 ( 16.690 8.269 9.526) 20.921 4.675 ( 8.266 7.105 7.554) 13.262 4.887 ( 7.370 -1.392 -12.184) 14.308 5.376 ( -2.085 12.620 -4.903) 13.699 5.467 ( 6.361 6.124 -8.217) 12.062 5.767 ( -11.092 19.520 -4.098) 22.823 6.136 ( 4.264 14.387 -5.379) 15.940 6.955 ( -11.152 2.544 5.165) 12.551 7.086 ( -1.772 17.119 11.209) 20.539 7.365 ( 4.352 -5.590 10.532) 12.693 7.750 ( -2.919 10.454 -2.061) 11.048 7.941 ( -2.064 14.630 1.456) 14.846 9.089 ( 0.771 -10.364 2.744) 10.749 9.301 ( -5.188 -7.528 -1.185) 9.219 9.761 ( 4.403 -4.431 11.925) 13.462 9.993 ( 0.655 -8.431 3.938) 9.329 10.293 ( 0.922 -4.356 10.810) 11.691 10.484 ( -4.622 -0.681 9.116) 10.244 10.789 ( 5.885 3.603 4.115) 8.034 10.889 ( 2.382 -5.420 1.328) 6.068 11.129 ( -1.314 -4.584 2.693) 5.477 11.624 ( -3.954 0.276 -0.619) 4.012 11.867 ( -6.199 2.727 4.233) 7.987 12.499 ( -0.732 3.775 -0.999) 3.972 12.623 ( -8.108 -4.826 -4.982) 10.670 12.741 ( 7.494 0.922 -8.174) 11.128 12.945 ( -0.354 -2.171 -15.539) 15.694 13.245 ( 3.758 -3.633 -0.802) 5.288 13.394 ( -1.418 -0.847 -8.729) 8.884 13.557 ( 1.689 1.279 -8.460) 8.721======================= Grid point 303 (103/140) =======================q-point: ( 0.33 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.151 ( 6.156 1.856 0.619) 6.459 2.330 ( -1.069 0.505 1.338) 1.786 2.651 ( -0.410 2.846 3.092) 4.222 2.754 ( -3.901 1.045 3.850) 5.580 3.083 ( 4.201 6.631 0.231) 7.853 3.263 ( -3.810 6.794 0.522) 7.807 4.453 ( 19.355 13.461 3.066) 23.774 4.939 ( 15.674 6.309 10.374) 19.827 4.986 ( -0.854 9.812 -6.259) 11.669 5.335 ( -0.996 7.361 -7.950) 10.880 5.526 ( -6.013 15.172 -7.405) 17.922 5.659 ( 4.553 5.790 2.402) 7.748 6.192 ( 2.659 7.826 -6.258) 10.367 6.644 ( -15.472 1.806 -3.880) 16.053 7.119 ( 3.768 16.241 10.762) 19.844 7.385 ( -3.797 -6.333 6.755) 10.007 7.708 ( 0.833 18.086 2.241) 18.244 7.878 ( -3.912 14.267 3.219) 15.140 9.107 ( 0.918 -9.678 2.493) 10.036 9.196 ( -4.111 -7.542 1.366) 8.697 9.860 ( 4.706 -3.649 9.055) 10.837 9.999 ( -0.670 -3.247 6.080) 6.925 10.319 ( 1.373 -6.824 10.640) 12.715 10.397 ( -3.284 -7.233 8.560) 11.678 10.902 ( 3.861 3.530 2.341) 5.731 10.944 ( 2.235 -5.924 1.146) 6.434 11.117 ( 1.603 -1.921 5.760) 6.280 11.452 ( -10.729 5.343 0.954) 12.024 11.852 ( 4.388 -2.968 5.097) 7.351 12.276 ( -13.484 -2.816 1.678) 13.877 12.626 ( 3.379 -3.702 -17.498) 18.202 12.847 ( -4.458 -2.251 -16.552) 17.289 12.968 ( 8.884 0.646 -6.980) 11.317 13.258 ( -3.130 4.337 -3.416) 6.346 13.436 ( 4.851 -2.303 -2.980) 6.141 13.573 ( -0.523 0.889 -6.880) 6.957======================= Grid point 304 (104/140) =======================q-point: (-0.50 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.270 ( -4.551 0.924 0.408) 4.662 2.270 ( 4.551 0.924 0.408) 4.662 2.678 ( -2.810 1.758 3.921) 5.134 2.678 ( 2.810 1.758 3.921) 5.134 3.175 ( -4.380 6.725 0.463) 8.039 3.175 ( 4.380 6.725 0.463) 8.039 4.808 ( -13.755 15.753 -0.999) 20.937 4.808 ( 13.755 15.753 -0.999) 20.937 5.238 ( -9.763 11.097 1.261) 14.834 5.238 ( 9.763 11.097 1.261) 14.834 5.582 ( -9.924 2.306 -0.383) 10.196 5.582 ( 9.924 2.306 -0.383) 10.196 6.350 ( -11.888 5.554 -7.256) 14.994 6.350 ( 11.888 5.554 -7.256) 14.994 7.242 ( -7.553 5.402 6.130) 11.127 7.242 ( 7.553 5.402 6.130) 11.127 7.782 ( -4.828 15.648 4.501) 16.983 7.782 ( 4.828 15.648 4.501) 16.983 9.134 ( -1.872 -8.551 2.121) 9.006 9.134 ( 1.872 -8.551 2.121) 9.006 9.952 ( -3.654 -1.761 7.699) 8.702 9.952 ( 3.654 -1.761 7.699) 8.702 10.348 ( -1.538 -8.961 9.673) 13.275 10.348 ( 1.538 -8.961 9.673) 13.275 10.951 ( -1.221 -3.466 1.243) 3.879 10.951 ( 1.221 -3.466 1.243) 3.879 11.235 ( -8.829 4.440 4.894) 11.028 11.235 ( 8.829 4.440 4.894) 11.028 12.016 ( -10.507 -4.053 2.450) 11.525 12.016 ( 10.507 -4.053 2.450) 11.525 12.724 ( -5.721 -4.202 -19.373) 20.633 12.724 ( 5.721 -4.202 -19.373) 20.633 13.148 ( -7.073 3.809 -4.277) 9.101 13.148 ( 7.073 3.809 -4.277) 9.101 13.530 ( -3.459 -0.064 -4.171) 5.419 13.530 ( 3.459 -0.064 -4.171) 5.419======================= Grid point 308 (105/140) =======================q-point: ( 0.00 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.026 ( 0.000 1.583 -0.173) 1.593 2.339 ( 0.000 0.476 2.371) 2.418 2.764 ( 0.000 1.810 -0.641) 1.920 2.864 ( 0.000 0.538 3.662) 3.702 3.077 ( 0.000 4.479 -1.135) 4.621 3.455 ( 0.000 3.535 0.535) 3.575 3.988 ( 0.000 7.519 4.439) 8.732 4.657 ( 0.000 -7.696 -9.907) 12.545 4.753 ( 0.000 8.813 -2.117) 9.064 5.386 ( 0.000 -5.154 -16.486) 17.273 5.725 ( 0.000 16.647 2.317) 16.808 6.261 ( 0.000 14.672 0.806) 14.694 6.371 ( 0.000 12.744 6.525) 14.317 7.089 ( 0.000 -3.649 -6.287) 7.269 7.133 ( 0.000 -7.766 14.411) 16.370 7.426 ( 0.000 10.475 8.224) 13.318 7.972 ( 0.000 13.503 1.922) 13.639 8.263 ( 0.000 13.682 -2.022) 13.830 8.906 ( 0.000 -6.769 5.297) 8.595 9.220 ( 0.000 -6.738 -2.404) 7.154 9.599 ( 0.000 -7.876 5.977) 9.887 9.824 ( 0.000 -3.374 13.462) 13.878 10.207 ( 0.000 -4.425 7.699) 8.880 10.634 ( 0.000 -1.595 4.290) 4.577 10.684 ( 0.000 2.294 4.553) 5.098 10.836 ( 0.000 3.058 12.650) 13.015 11.089 ( 0.000 -1.765 3.164) 3.624 11.596 ( 0.000 -3.085 2.344) 3.875 12.084 ( 0.000 4.027 -4.767) 6.240 12.472 ( 0.000 0.955 2.229) 2.425 12.631 ( 0.000 -2.208 -15.300) 15.459 12.830 ( 0.000 -1.279 -6.752) 6.872 12.878 ( 0.000 1.535 4.135) 4.411 12.998 ( 0.000 -8.725 -11.976) 14.818 13.436 ( 0.000 0.623 -10.754) 10.772 13.562 ( 0.000 1.549 -9.682) 9.806======================= Grid point 309 (106/140) =======================q-point: ( 0.17 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.072 ( 4.093 1.449 -0.124) 4.344 2.341 ( 0.020 0.125 2.090) 2.094 2.736 ( -2.132 2.024 -0.019) 2.940 2.837 ( -2.495 0.409 3.412) 4.247 3.109 ( 2.775 4.018 -1.021) 4.988 3.430 ( -2.270 3.589 0.582) 4.287 4.205 ( 18.931 7.618 3.049) 20.633 4.800 ( 10.458 -0.930 -5.077) 11.663 4.844 ( 10.149 5.007 -4.610) 12.220 5.464 ( 7.418 -5.018 -14.155) 16.750 5.668 ( -4.988 15.069 0.701) 15.888 6.082 ( -12.389 13.812 0.979) 18.581 6.389 ( -2.916 8.477 6.658) 11.166 6.943 ( -10.587 0.424 -7.775) 13.142 7.191 ( 4.200 -8.461 12.388) 15.578 7.452 ( 1.133 13.125 8.664) 15.768 7.990 ( 1.425 13.455 1.618) 13.627 8.232 ( -2.709 13.565 -0.250) 13.836 8.916 ( 0.925 -6.894 4.740) 8.417 9.166 ( -4.394 -6.078 -0.972) 7.563 9.647 ( 4.203 -7.661 4.608) 9.879 9.866 ( 3.505 -3.009 12.979) 13.776 10.195 ( -1.111 -5.596 7.560) 9.471 10.485 ( -8.247 0.911 11.706) 14.349 10.767 ( 3.051 -4.404 0.848) 5.424 10.914 ( 5.362 6.098 8.454) 11.722 11.076 ( -0.278 -1.285 4.478) 4.667 11.602 ( 0.446 -2.182 1.111) 2.489 11.927 ( -10.750 3.081 0.303) 11.187 12.523 ( -12.321 -2.254 0.009) 12.525 12.531 ( -2.693 -2.910 -11.145) 11.829 12.744 ( 10.498 -0.415 -5.404) 11.814 12.886 ( -3.672 -3.041 -18.456) 19.062 13.190 ( 11.284 -1.379 1.008) 11.412 13.410 ( -2.075 1.301 -9.352) 9.667 13.583 ( 1.300 1.060 -9.187) 9.339======================= Grid point 310 (107/140) =======================q-point: ( 0.33 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.180 ( 5.479 1.035 -0.052) 5.576 2.332 ( -1.161 -0.237 1.241) 1.716 2.698 ( -1.014 1.893 1.145) 2.434 2.769 ( -3.564 0.517 3.042) 4.714 3.183 ( 4.095 3.648 -0.592) 5.517 3.365 ( -3.782 3.659 0.408) 5.278 4.684 ( 23.403 8.852 -0.820) 25.035 5.041 ( 14.074 4.767 3.512) 15.269 5.122 ( 10.519 5.943 -5.950) 13.468 5.525 ( -5.274 10.820 -4.149) 12.732 5.676 ( 4.742 -3.324 -1.212) 5.916 5.816 ( -8.953 13.578 -2.603) 16.471 6.236 ( -7.649 -1.930 -1.285) 7.993 6.691 ( -13.524 0.465 -6.639) 15.073 7.293 ( 4.978 -0.271 7.886) 9.330 7.448 ( -1.592 13.622 8.376) 16.070 8.025 ( 2.009 14.264 3.071) 14.729 8.161 ( -3.740 13.478 3.058) 14.318 8.943 ( 1.668 -6.753 3.235) 7.671 9.067 ( -4.460 -5.649 0.615) 7.224 9.765 ( 6.608 -6.196 3.094) 9.572 9.939 ( 2.118 -1.701 9.823) 10.191 10.165 ( -1.103 -8.340 9.700) 12.840 10.320 ( -7.076 -1.217 17.287) 18.719 10.828 ( 2.861 -4.317 1.922) 5.524 10.944 ( -2.084 0.227 1.986) 2.888 11.160 ( 7.787 4.898 5.654) 10.798 11.555 ( -7.450 4.701 -1.614) 8.956 11.779 ( 0.317 -3.983 4.917) 6.335 12.177 ( -15.233 -6.399 1.646) 16.604 12.566 ( 2.457 -2.550 -18.728) 19.059 12.773 ( -6.076 -3.870 -20.826) 22.037 12.997 ( 11.532 1.535 -2.412) 11.881 13.329 ( -2.937 2.873 -5.193) 6.622 13.414 ( 6.748 -0.342 -2.412) 7.174 13.593 ( -0.804 0.812 -7.216) 7.306======================= Grid point 311 (108/140) =======================q-point: (-0.50 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.281 ( -3.715 0.282 0.288) 3.737 2.281 ( 3.715 0.282 0.288) 3.737 2.706 ( -1.888 1.135 2.369) 3.235 2.706 ( 1.888 1.135 2.369) 3.235 3.276 ( -4.453 3.656 -0.029) 5.762 3.276 ( 4.453 3.656 -0.029) 5.762 5.084 ( -12.977 11.610 -3.784) 17.819 5.084 ( 12.977 11.610 -3.784) 17.819 5.384 ( -15.459 3.387 5.827) 16.865 5.384 ( 15.459 3.387 5.827) 16.865 5.668 ( -10.276 7.968 -3.446) 13.452 5.668 ( 10.276 7.968 -3.446) 13.452 6.361 ( -16.250 -4.834 -8.273) 18.864 6.361 ( 16.250 -4.834 -8.273) 18.864 7.389 ( -3.822 8.865 7.055) 11.958 7.389 ( 3.822 8.865 7.055) 11.958 8.083 ( -3.419 14.056 4.532) 15.159 8.083 ( 3.419 14.056 4.532) 15.159 8.989 ( -2.816 -6.096 1.749) 6.939 8.989 ( 2.816 -6.096 1.749) 6.939 9.902 ( -5.353 -3.486 3.111) 7.105 9.902 ( 5.353 -3.486 3.111) 7.105 10.196 ( -4.221 -5.820 17.568) 18.982 10.196 ( 4.221 -5.820 17.568) 18.982 10.888 ( -2.791 -2.480 1.994) 4.233 10.888 ( 2.791 -2.480 1.994) 4.233 11.351 ( -9.916 6.487 2.010) 12.018 11.351 ( 9.916 6.487 2.010) 12.018 11.905 ( -10.028 -6.678 2.423) 12.289 11.905 ( 10.028 -6.678 2.423) 12.289 12.648 ( -5.228 -3.327 -20.093) 21.027 12.648 ( 5.228 -3.327 -20.093) 21.027 13.207 ( -7.995 2.262 -4.189) 9.305 13.207 ( 7.995 2.262 -4.189) 9.305 13.540 ( -4.301 0.622 -4.289) 6.106 13.540 ( 4.301 0.622 -4.289) 6.106======================= Grid point 315 (109/140) =======================q-point: ( 0.00 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.046 ( 0.000 0.478 -0.476) 0.674 2.343 ( 0.000 0.011 1.544) 1.544 2.787 ( 0.000 0.559 -0.377) 0.674 2.871 ( 0.000 0.202 3.194) 3.200 3.134 ( 0.000 1.427 -2.274) 2.685 3.499 ( 0.000 1.032 1.032) 1.460 4.121 ( 0.000 4.918 -3.676) 6.140 4.521 ( 0.000 -4.962 -4.220) 6.514 4.915 ( 0.000 6.458 -10.715) 12.511 5.257 ( 0.000 -5.911 -12.760) 14.063 6.014 ( 0.000 11.094 5.225) 12.263 6.418 ( 0.000 -4.413 10.648) 11.526 6.558 ( 0.000 13.760 6.175) 15.083 6.926 ( 0.000 -11.428 12.785) 17.148 7.115 ( 0.000 3.339 -12.046) 12.500 7.526 ( 0.000 1.487 0.622) 1.612 8.204 ( 0.000 7.362 2.219) 7.689 8.461 ( 0.000 5.716 -3.571) 6.740 8.821 ( 0.000 -2.020 11.157) 11.338 9.119 ( 0.000 -3.100 -0.088) 3.101 9.455 ( 0.000 -4.755 -1.123) 4.885 9.816 ( 0.000 0.788 24.320) 24.332 10.128 ( 0.000 -2.728 2.954) 4.021 10.624 ( 0.000 0.036 5.261) 5.261 10.681 ( 0.000 -0.667 0.442) 0.800 10.934 ( 0.000 4.178 21.436) 21.840 11.061 ( 0.000 -1.158 3.706) 3.883 11.545 ( 0.000 -1.655 1.410) 2.174 12.137 ( 0.000 1.407 -5.881) 6.047 12.483 ( 0.000 0.307 -1.775) 1.802 12.597 ( 0.000 -1.006 -14.720) 14.754 12.796 ( 0.000 -1.773 -0.896) 1.987 12.888 ( 0.000 -2.310 -17.254) 17.408 12.898 ( 0.000 0.465 5.132) 5.153 13.443 ( 0.000 0.148 -12.179) 12.180 13.583 ( 0.000 0.525 -10.480) 10.493======================= Grid point 316 (110/140) =======================q-point: ( 0.17 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( 3.950 0.448 -0.465) 4.002 2.340 ( -0.321 -0.105 1.593) 1.629 2.763 ( -1.951 0.686 -0.464) 2.119 2.842 ( -2.569 0.154 3.048) 3.989 3.159 ( 2.363 1.244 -1.894) 3.274 3.474 ( -2.203 1.070 0.850) 2.593 4.320 ( 17.528 3.526 -3.345) 18.189 4.733 ( 17.733 -2.551 -2.599) 18.103 5.005 ( 8.867 7.384 -9.625) 15.026 5.326 ( 6.405 -6.932 -11.878) 15.171 5.934 ( -7.144 10.407 3.713) 13.158 6.219 ( -13.481 -1.530 7.048) 15.289 6.534 ( -7.389 9.739 3.682) 12.768 6.858 ( -8.002 -9.751 5.918) 13.933 7.144 ( 6.397 2.581 -2.256) 7.257 7.597 ( 4.013 2.827 1.971) 5.290 8.213 ( 0.844 7.020 2.376) 7.459 8.430 ( -2.733 5.714 -1.854) 6.599 8.827 ( 0.646 -2.190 9.313) 9.589 9.074 ( -3.790 -2.845 0.284) 4.748 9.512 ( 5.089 -4.403 -1.410) 6.875 9.856 ( 3.594 0.670 23.813) 24.092 10.100 ( -2.768 -3.247 2.580) 4.986 10.505 ( -8.548 0.745 13.375) 15.890 10.709 ( 2.310 -1.459 0.908) 2.879 11.008 ( -0.255 2.613 5.390) 5.995 11.067 ( 5.691 0.276 11.513) 12.846 11.560 ( 1.499 -1.540 1.249) 2.485 11.975 ( -11.480 1.501 -2.588) 11.863 12.450 ( -18.993 -2.507 1.568) 19.222 12.512 ( 0.377 -0.633 -15.097) 15.115 12.729 ( 9.764 -0.702 -9.878) 13.907 12.850 ( -1.836 -0.721 -12.884) 13.034 13.178 ( 13.006 -0.168 1.505) 13.094 13.429 ( -1.446 0.526 -10.956) 11.064 13.596 ( 0.878 0.270 -9.467) 9.511======================= Grid point 317 (111/140) =======================q-point: ( 0.33 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.193 ( 5.094 0.312 -0.367) 5.117 2.326 ( -1.097 -0.199 1.205) 1.642 2.723 ( -1.316 0.679 0.041) 1.481 2.776 ( -3.328 0.191 2.545) 4.194 3.229 ( 4.030 1.108 -1.068) 4.313 3.410 ( -3.746 1.107 0.423) 3.929 4.783 ( 24.073 1.917 -2.108) 24.241 5.097 ( 14.559 1.072 -1.918) 14.724 5.297 ( 13.854 11.182 -4.353) 18.328 5.513 ( 8.432 -9.483 -4.898) 13.601 5.763 ( -5.549 9.470 -1.105) 11.031 5.947 ( -8.394 -2.523 0.740) 8.796 6.258 ( -16.403 6.107 -4.028) 17.960 6.608 ( -15.793 -6.823 1.900) 17.309 7.338 ( 10.080 2.684 4.139) 11.222 7.626 ( -1.692 4.396 4.796) 6.722 8.242 ( 1.895 6.573 3.102) 7.511 8.361 ( -3.446 5.869 1.429) 6.954 8.852 ( 1.718 -2.474 5.312) 6.107 8.983 ( -4.361 -2.563 0.899) 5.137 9.655 ( 8.035 -3.635 -1.538) 8.952 9.944 ( 2.129 2.066 15.359) 15.643 10.023 ( -2.056 -5.726 9.434) 11.226 10.313 ( -9.150 0.058 20.414) 22.371 10.775 ( 3.723 -1.236 1.728) 4.286 10.942 ( -3.987 -0.130 2.415) 4.663 11.250 ( 9.654 3.142 6.656) 12.140 11.610 ( 2.458 0.533 0.168) 2.521 11.731 ( -9.922 -0.316 0.397) 9.935 12.065 ( -16.405 -3.898 1.189) 16.903 12.530 ( 1.889 -1.009 -18.627) 18.749 12.719 ( -5.574 -1.474 -20.931) 21.711 13.018 ( 11.815 0.563 -1.774) 11.960 13.370 ( -3.772 1.191 -7.682) 8.641 13.410 ( 8.194 -0.143 -1.517) 8.334 13.601 ( -0.802 0.149 -6.956) 7.004======================= Grid point 318 (112/140) =======================q-point: (-0.50 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( -3.161 0.017 0.212) 3.168 2.284 ( 3.161 0.017 0.212) 3.168 2.722 ( -1.349 0.425 1.441) 2.019 2.722 ( 1.349 0.425 1.441) 2.019 3.321 ( -4.480 1.111 -0.228) 4.621 3.321 ( 4.480 1.111 -0.228) 4.621 5.245 ( -16.792 4.635 -1.293) 17.468 5.245 ( 16.792 4.635 -1.293) 17.468 5.395 ( -13.741 -0.904 1.578) 13.861 5.395 ( 13.741 -0.904 1.578) 13.861 5.881 ( -13.366 11.502 -5.560) 18.490 5.881 ( 13.366 11.502 -5.560) 18.490 6.199 ( -20.657 -9.886 -3.919) 23.234 6.199 ( 20.657 -9.886 -3.919) 23.234 7.528 ( -7.278 4.112 5.764) 10.153 7.528 ( 7.278 4.112 5.764) 10.153 8.293 ( -2.879 6.249 3.324) 7.641 8.293 ( 2.879 6.249 3.324) 7.641 8.902 ( -3.104 -2.530 2.218) 4.578 8.902 ( 3.104 -2.530 2.218) 4.578 9.833 ( -8.182 -2.557 -0.854) 8.615 9.833 ( 8.182 -2.557 -0.854) 8.615 10.130 ( -7.932 -1.362 23.624) 24.957 10.130 ( 7.932 -1.362 23.624) 24.957 10.857 ( -3.956 -0.716 2.154) 4.561 10.857 ( 3.956 -0.716 2.154) 4.561 11.465 ( -10.589 4.252 1.735) 11.542 11.465 ( 10.589 4.252 1.735) 11.542 11.784 ( -9.829 -4.584 1.179) 10.909 11.784 ( 9.829 -4.584 1.179) 10.909 12.602 ( -4.841 -1.235 -19.646) 20.272 12.602 ( 4.841 -1.235 -19.646) 20.272 13.237 ( -8.466 0.804 -4.950) 9.839 13.237 ( 8.466 0.804 -4.950) 9.839 13.548 ( -4.447 0.194 -4.009) 5.991 13.548 ( 4.447 0.194 -4.009) 5.991======================= Grid point 364 (113/140) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( 0.000 0.000 3.862) 3.862 2.295 ( 0.000 0.000 12.136) 12.136 2.419 ( 0.000 0.000 -0.486) 0.486 2.473 ( 0.000 0.000 -4.981) 4.981 2.500 ( 0.000 0.000 -0.447) 0.447 3.101 ( 0.000 0.000 6.363) 6.363 3.855 ( 0.000 0.000 -2.019) 2.019 4.011 ( 0.000 0.000 -2.212) 2.212 4.103 ( 0.000 0.000 12.098) 12.098 4.384 ( 0.000 0.000 6.028) 6.028 4.796 ( 0.000 0.000 -7.097) 7.097 4.885 ( 0.000 0.000 -20.726) 20.726 5.756 ( 0.000 0.000 35.780) 35.780 6.160 ( 0.000 0.000 5.448) 5.448 6.305 ( 0.000 0.000 -7.333) 7.333 6.704 ( 0.000 0.000 -30.063) 30.063 7.838 ( 0.000 0.000 3.397) 3.397 8.103 ( 0.000 0.000 3.425) 3.425 9.755 ( 0.000 0.000 1.977) 1.977 10.073 ( 0.000 0.000 -0.075) 0.075 10.110 ( 0.000 0.000 3.728) 3.728 10.185 ( 0.000 0.000 5.269) 5.269 10.442 ( 0.000 0.000 -1.296) 1.296 10.657 ( 0.000 0.000 6.422) 6.422 11.025 ( 0.000 0.000 3.989) 3.989 11.112 ( 0.000 0.000 7.385) 7.385 11.532 ( 0.000 0.000 -0.145) 0.145 11.583 ( 0.000 0.000 -10.631) 10.631 11.599 ( 0.000 0.000 1.677) 1.677 11.867 ( 0.000 0.000 -2.905) 2.905 12.218 ( 0.000 0.000 -0.700) 0.700 12.576 ( 0.000 0.000 -3.079) 3.079 13.057 ( 0.000 0.000 2.156) 2.156 13.500 ( 0.000 0.000 -3.323) 3.323 13.630 ( 0.000 0.000 -1.601) 1.601 13.920 ( 0.000 0.000 -3.644) 3.644======================= Grid point 365 (114/140) =======================q-point: ( 0.17 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 5.912 0.000 3.388) 6.814 2.311 ( 1.488 0.000 10.858) 10.959 2.348 ( -3.303 0.000 -0.722) 3.381 2.466 ( -0.726 0.000 -3.972) 4.037 2.636 ( 8.506 0.000 0.148) 8.507 3.068 ( -2.861 0.000 6.454) 7.060 3.863 ( 0.806 0.000 -1.937) 2.098 3.999 ( -1.115 0.000 -2.079) 2.359 4.155 ( 4.368 0.000 11.915) 12.690 4.387 ( -0.073 0.000 8.006) 8.006 4.846 ( 4.472 0.000 -8.859) 9.924 4.962 ( 6.318 0.000 -20.858) 21.794 5.844 ( 8.730 0.000 30.850) 32.062 6.170 ( 0.926 0.000 4.531) 4.624 6.295 ( -0.861 0.000 -6.528) 6.584 6.765 ( 5.994 0.000 -24.981) 25.690 7.722 ( -10.805 0.000 4.919) 11.872 8.026 ( -7.143 0.000 1.949) 7.404 9.774 ( 1.760 0.000 1.921) 2.606 10.049 ( -2.209 0.000 0.212) 2.219 10.078 ( -1.540 0.000 3.674) 3.984 10.217 ( 0.844 0.000 9.892) 9.928 10.411 ( -1.146 0.000 -5.946) 6.056 10.645 ( -1.735 0.000 5.665) 5.924 11.051 ( 2.411 0.000 3.479) 4.233 11.180 ( 5.851 0.000 6.628) 8.841 11.474 ( -4.778 0.000 -0.234) 4.783 11.567 ( -0.750 0.000 -8.362) 8.396 11.683 ( 6.744 0.000 0.459) 6.760 11.916 ( 3.950 0.000 -2.484) 4.666 12.204 ( -1.280 0.000 -0.783) 1.500 12.480 ( -7.617 0.000 -4.096) 8.648 13.134 ( 5.177 0.000 2.641) 5.812 13.398 ( -7.369 0.000 -3.932) 8.353 13.661 ( 1.049 0.000 1.133) 1.544 13.837 ( -6.338 0.000 -5.192) 8.193======================= Grid point 366 (115/140) =======================q-point: ( 0.33 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.081 ( 7.093 0.000 2.247) 7.440 2.288 ( -2.840 0.000 -0.441) 2.874 2.353 ( 2.291 0.000 7.460) 7.804 2.442 ( -1.527 0.000 -1.110) 1.887 2.800 ( 6.437 0.000 1.939) 6.723 2.994 ( -3.884 0.000 6.062) 7.199 3.888 ( 1.520 0.000 -1.768) 2.331 3.967 ( -1.832 0.000 -1.820) 2.583 4.257 ( 4.663 0.000 12.470) 13.313 4.373 ( -1.183 0.000 11.555) 11.615 4.960 ( 5.747 0.000 -13.116) 14.320 5.080 ( 3.063 0.000 -21.824) 22.038 6.154 ( 20.778 0.000 20.782) 29.387 6.198 ( 1.578 0.000 2.076) 2.608 6.270 ( -1.512 0.000 -4.296) 4.555 6.926 ( 4.945 0.000 -10.041) 11.193 7.428 ( -12.571 0.000 4.363) 13.307 7.808 ( -13.176 0.000 -1.263) 13.236 9.827 ( 3.185 0.000 1.736) 3.627 9.985 ( -3.622 0.000 0.822) 3.714 10.068 ( 0.733 0.000 4.693) 4.750 10.181 ( -3.442 0.000 9.352) 9.965 10.438 ( 3.029 0.000 -5.205) 6.022 10.585 ( -3.474 0.000 2.218) 4.121 11.124 ( 4.366 0.000 2.292) 4.931 11.325 ( 7.161 0.000 5.748) 9.183 11.356 ( -5.980 0.000 0.119) 5.982 11.541 ( -2.124 0.000 -4.827) 5.273 11.865 ( 9.902 0.000 -0.898) 9.942 12.009 ( 4.467 0.000 -1.895) 4.853 12.164 ( -2.561 0.000 -1.023) 2.758 12.295 ( -9.520 0.000 -5.019) 10.762 13.193 ( -0.468 0.000 2.316) 2.363 13.248 ( -5.785 0.000 -2.291) 6.222 13.655 ( -0.270 0.000 1.228) 1.257 13.738 ( -2.634 0.000 -5.845) 6.411======================= Grid point 367 (116/140) =======================q-point: (-0.50 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.210 ( -4.835 0.000 0.720) 4.888 2.210 ( 4.835 0.000 0.720) 4.888 2.402 ( -2.199 0.000 3.042) 3.754 2.402 ( 2.199 0.000 3.042) 3.754 2.909 ( -4.240 0.000 4.445) 6.143 2.909 ( 4.240 0.000 4.445) 6.143 3.926 ( -1.943 0.000 -1.687) 2.573 3.926 ( 1.943 0.000 -1.687) 2.573 4.335 ( -2.601 0.000 13.320) 13.572 4.335 ( 2.601 0.000 13.320) 13.572 5.067 ( -3.675 0.000 -19.253) 19.601 5.067 ( 3.675 0.000 -19.253) 19.601 6.234 ( -1.783 0.000 -1.165) 2.130 6.234 ( 1.783 0.000 -1.165) 2.130 6.666 ( -24.520 0.000 11.955) 27.279 6.666 ( 24.520 0.000 11.955) 27.279 7.498 ( -14.386 0.000 -4.621) 15.110 7.498 ( 14.386 0.000 -4.621) 15.110 9.904 ( -3.912 0.000 1.377) 4.147 9.904 ( 3.912 0.000 1.377) 4.147 10.109 ( -2.945 0.000 6.257) 6.915 10.109 ( 2.945 0.000 6.257) 6.915 10.510 ( -3.550 0.000 -1.235) 3.759 10.510 ( 3.550 0.000 -1.235) 3.759 11.231 ( -5.621 0.000 1.035) 5.715 11.231 ( 5.621 0.000 1.035) 5.715 11.462 ( -5.364 0.000 1.565) 5.587 11.462 ( 5.364 0.000 1.565) 5.587 12.083 ( -10.356 0.000 -3.628) 10.973 12.083 ( 10.356 0.000 -3.628) 10.973 12.097 ( -3.726 0.000 -1.401) 3.980 12.097 ( 3.726 0.000 -1.401) 3.980 13.176 ( -0.908 0.000 -0.155) 0.921 13.176 ( 0.908 0.000 -0.155) 0.921 13.686 ( -2.482 0.000 -2.358) 3.423 13.686 ( 2.482 0.000 -2.358) 3.423======================= Grid point 371 (117/140) =======================q-point: ( 0.00 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( 0.000 1.295 3.398) 3.636 2.323 ( 0.000 1.394 7.893) 8.015 2.445 ( 0.000 6.021 0.974) 6.100 2.516 ( 0.000 1.655 -0.356) 1.693 2.610 ( 0.000 10.712 -2.224) 10.940 3.068 ( 0.000 -2.517 4.842) 5.457 4.035 ( 0.000 16.652 -0.187) 16.653 4.116 ( 0.000 3.573 13.678) 14.137 4.180 ( 0.000 13.213 0.623) 13.228 4.427 ( 0.000 5.448 0.175) 5.450 4.848 ( 0.000 5.042 -6.139) 7.944 4.881 ( 0.000 -0.235 -18.975) 18.976 5.615 ( 0.000 -9.294 21.146) 23.098 6.351 ( 0.000 10.668 -0.714) 10.691 6.378 ( 0.000 10.769 8.575) 13.767 6.802 ( 0.000 10.680 -26.424) 28.501 7.803 ( 0.000 -3.575 3.326) 4.883 8.078 ( 0.000 -2.503 3.421) 4.239 9.711 ( 0.000 -4.683 2.696) 5.404 9.863 ( 0.000 -11.242 -2.007) 11.420 10.146 ( 0.000 -3.679 5.064) 6.259 10.298 ( 0.000 8.542 9.797) 12.998 10.508 ( 0.000 7.172 -6.841) 9.911 10.623 ( 0.000 -3.708 5.765) 6.855 10.921 ( 0.000 -8.264 10.414) 13.295 11.071 ( 0.000 -5.274 -3.371) 6.259 11.377 ( 0.000 -6.871 -0.370) 6.881 11.596 ( 0.000 3.398 -2.544) 4.245 11.836 ( 0.000 14.327 3.167) 14.673 12.013 ( 0.000 11.487 -6.471) 13.184 12.154 ( 0.000 -5.962 -1.839) 6.239 12.601 ( 0.000 2.539 -2.579) 3.619 13.081 ( 0.000 2.291 2.337) 3.273 13.479 ( 0.000 -2.028 -3.234) 3.817 13.528 ( 0.000 -9.900 -1.286) 9.983 13.833 ( 0.000 -8.470 -3.976) 9.357======================= Grid point 372 (118/140) =======================q-point: ( 0.17 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( 5.688 1.036 3.007) 6.517 2.310 ( -1.108 0.184 3.680) 3.848 2.422 ( -0.252 7.347 5.166) 8.985 2.544 ( -0.042 5.688 -3.148) 6.501 2.680 ( 6.328 5.444 0.520) 8.364 3.037 ( -2.658 -2.346 4.952) 6.090 4.033 ( 0.035 15.243 0.171) 15.244 4.140 ( 0.478 10.581 4.037) 11.335 4.203 ( 3.075 7.763 8.465) 11.890 4.425 ( -0.359 4.535 2.802) 5.343 4.900 ( 4.827 5.114 -9.140) 11.533 4.968 ( 6.959 1.068 -17.536) 18.896 5.687 ( 7.398 -9.922 17.706) 21.602 6.349 ( -0.167 10.689 -0.375) 10.697 6.418 ( 3.438 13.005 9.589) 16.520 6.831 ( 3.229 7.833 -23.834) 25.295 7.689 ( -10.546 -3.342 4.615) 11.986 8.002 ( -7.109 -2.454 2.091) 7.806 9.723 ( 1.032 -5.331 2.566) 6.006 9.837 ( -1.884 -11.316 -1.008) 11.516 10.182 ( 2.307 -2.911 5.836) 6.917 10.253 ( -3.419 6.080 10.394) 12.517 10.465 ( -2.389 6.105 -9.182) 11.282 10.630 ( -0.721 -1.181 5.804) 5.966 10.963 ( 3.674 -7.497 9.121) 12.365 11.125 ( 4.293 -5.713 -3.934) 8.157 11.411 ( 2.841 -5.282 -1.464) 6.174 11.565 ( -2.130 3.200 2.158) 4.408 11.826 ( -0.382 11.658 -1.436) 11.753 12.077 ( 4.248 9.777 -3.000) 11.074 12.121 ( -2.181 -4.187 -2.799) 5.489 12.551 ( -3.949 5.509 -3.314) 7.545 13.133 ( 3.289 0.011 2.619) 4.204 13.337 ( -8.426 -6.310 -3.385) 11.057 13.603 ( 2.482 -5.169 0.765) 5.785 13.762 ( -5.202 -7.238 -5.493) 10.470======================= Grid point 373 (119/140) =======================q-point: ( 0.33 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.086 ( 6.892 0.624 1.984) 7.199 2.278 ( -2.069 0.004 0.258) 2.085 2.440 ( 1.630 7.550 5.959) 9.755 2.522 ( -1.665 7.009 -1.053) 7.280 2.811 ( 5.227 1.632 2.042) 5.844 2.970 ( -3.386 -1.697 4.753) 6.077 4.043 ( 0.991 14.064 -0.390) 14.105 4.119 ( -1.879 14.475 -1.073) 14.636 4.293 ( 4.419 4.135 11.739) 13.207 4.408 ( -1.248 3.766 7.586) 8.561 5.020 ( 5.591 5.963 -11.948) 14.477 5.100 ( 3.890 2.507 -18.007) 18.592 5.951 ( 16.846 -9.503 9.202) 21.419 6.338 ( -1.224 9.173 -0.935) 9.301 6.509 ( 5.474 17.197 10.204) 20.732 6.934 ( 3.133 1.421 -10.434) 10.986 7.411 ( -11.311 -1.495 3.604) 11.965 7.785 ( -13.029 -2.252 -0.960) 13.257 9.750 ( 1.434 -7.314 2.193) 7.769 9.802 ( -1.282 -11.199 0.261) 11.275 10.186 ( -2.009 2.432 10.594) 11.053 10.202 ( -1.042 2.349 4.718) 5.373 10.451 ( 1.440 2.687 -6.991) 7.627 10.583 ( -3.275 0.222 1.800) 3.743 11.060 ( 5.077 -5.659 6.760) 10.174 11.197 ( 1.167 -6.993 -2.273) 7.445 11.470 ( 2.584 3.978 -0.316) 4.754 11.549 ( 0.619 -0.474 2.673) 2.785 11.835 ( 1.562 4.607 -1.717) 5.159 12.018 ( -5.302 -8.399 -2.005) 10.133 12.216 ( 6.398 13.867 -3.045) 15.573 12.457 ( -4.760 10.060 -4.062) 11.847 13.146 ( -2.769 -4.923 1.052) 5.745 13.177 ( -5.526 -6.311 -1.806) 8.580 13.620 ( 0.551 -3.306 0.579) 3.402 13.691 ( -1.491 -4.428 -5.187) 6.981======================= Grid point 374 (120/140) =======================q-point: (-0.50 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( -4.543 0.339 0.573) 4.591 2.211 ( 4.543 0.339 0.573) 4.591 2.481 ( -2.074 7.149 2.703) 7.919 2.481 ( 2.074 7.149 2.703) 7.919 2.899 ( -3.428 -0.437 3.739) 5.092 2.899 ( 3.428 -0.437 3.739) 5.092 4.076 ( -1.983 14.041 -1.068) 14.221 4.076 ( 1.983 14.041 -1.068) 14.221 4.369 ( -2.620 3.698 10.697) 11.618 4.369 ( 2.620 3.698 10.697) 11.618 5.111 ( -2.481 4.709 -15.936) 16.801 5.111 ( 2.481 4.709 -15.936) 16.801 6.257 ( -8.381 1.329 -0.111) 8.486 6.257 ( 8.381 1.329 -0.111) 8.486 6.730 ( -16.317 7.206 10.061) 20.479 6.730 ( 16.317 7.206 10.061) 20.479 7.482 ( -13.820 -1.434 -4.397) 14.573 7.482 ( 13.820 -1.434 -4.397) 14.573 9.778 ( -1.144 -9.856 1.396) 10.020 9.778 ( 1.144 -9.856 1.396) 10.020 10.173 ( -0.860 3.218 6.814) 7.584 10.173 ( 0.860 3.218 6.814) 7.585 10.509 ( -3.467 0.656 -2.393) 4.263 10.509 ( 3.467 0.656 -2.393) 4.263 11.160 ( -3.948 -5.507 2.736) 7.307 11.160 ( 3.948 -5.507 2.736) 7.307 11.533 ( -2.625 3.968 0.647) 4.801 11.533 ( 2.625 3.968 0.647) 4.801 11.905 ( -4.829 -5.235 -1.232) 7.228 11.905 ( 4.829 -5.235 -1.232) 7.228 12.346 ( -5.762 13.135 -3.578) 14.783 12.346 ( 5.762 13.135 -3.578) 14.783 13.106 ( -0.939 -6.578 -1.020) 6.722 13.106 ( 0.939 -6.578 -1.020) 6.722 13.656 ( -2.105 -2.972 -2.024) 4.167 13.656 ( 2.105 -2.972 -2.024) 4.167======================= Grid point 378 (121/140) =======================q-point: ( 0.00 0.15 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( 0.000 2.068 2.297) 3.091 2.348 ( 0.000 1.367 3.817) 4.054 2.564 ( 0.000 3.111 -0.251) 3.121 2.622 ( 0.000 10.484 2.462) 10.770 2.843 ( 0.000 11.721 2.119) 11.911 3.033 ( 0.000 -0.125 0.614) 0.627 4.145 ( 0.000 0.056 20.593) 20.593 4.413 ( 0.000 19.421 4.302) 19.892 4.446 ( 0.000 9.218 -7.696) 12.009 4.711 ( 0.000 25.117 -4.162) 25.459 4.900 ( 0.000 3.475 -12.437) 12.913 4.964 ( 0.000 5.610 -3.078) 6.399 5.499 ( 0.000 -0.975 2.536) 2.717 6.526 ( 0.000 11.773 0.962) 11.813 6.699 ( 0.000 18.240 7.976) 19.907 7.118 ( 0.000 20.309 -13.856) 24.585 7.697 ( 0.000 -7.293 3.057) 7.908 8.006 ( 0.000 -4.792 3.228) 5.777 9.568 ( 0.000 -9.783 3.943) 10.548 9.651 ( 0.000 -10.373 -4.187) 11.186 10.059 ( 0.000 -4.709 4.936) 6.822 10.451 ( 0.000 8.055 12.487) 14.860 10.496 ( 0.000 -9.713 2.835) 10.118 10.682 ( 0.000 8.868 -9.296) 12.848 10.757 ( 0.000 -7.396 12.582) 14.594 10.943 ( 0.000 -6.916 -5.018) 8.545 11.278 ( 0.000 -3.675 -1.179) 3.860 11.703 ( 0.000 6.406 0.143) 6.407 11.935 ( 0.000 -8.691 4.401) 9.742 12.176 ( 0.000 12.907 -2.415) 13.131 12.232 ( 0.000 9.756 -8.244) 12.773 12.673 ( 0.000 4.689 -1.344) 4.878 13.118 ( 0.000 -1.138 5.786) 5.897 13.293 ( 0.000 -10.849 -4.651) 11.804 13.432 ( 0.000 -2.398 -3.053) 3.882 13.616 ( 0.000 -12.917 -4.414) 13.650======================= Grid point 379 (122/140) =======================q-point: ( 0.17 0.15 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 5.227 1.760 2.062) 5.889 2.328 ( -1.438 1.417 1.890) 2.766 2.576 ( 0.870 6.026 4.490) 7.565 2.655 ( 1.955 7.418 -1.896) 7.902 2.852 ( 1.012 9.936 3.678) 10.644 3.009 ( -1.999 0.616 0.341) 2.120 4.193 ( 3.851 1.709 18.721) 19.189 4.421 ( 0.774 19.537 1.734) 19.629 4.471 ( 1.897 9.813 -6.681) 12.022 4.661 ( -4.293 22.994 -2.763) 23.554 4.988 ( 7.618 3.964 -9.419) 12.746 5.056 ( 7.859 7.213 -4.975) 11.770 5.558 ( 6.225 -1.599 2.460) 6.882 6.571 ( 3.463 12.693 -0.293) 13.160 6.700 ( 0.560 15.118 9.527) 17.878 7.105 ( -1.232 19.171 -12.875) 23.126 7.596 ( -8.946 -5.894 3.526) 11.279 7.932 ( -6.880 -4.561 2.355) 8.584 9.567 ( -0.133 -10.252 3.188) 10.737 9.626 ( -1.885 -10.196 -2.358) 10.633 10.099 ( 3.068 -4.800 4.989) 7.573 10.314 ( -6.346 -0.596 7.508) 9.849 10.584 ( 0.037 2.818 -2.650) 3.868 10.640 ( -1.530 4.040 3.339) 5.460 10.804 ( 4.785 -7.338 9.284) 12.764 11.008 ( 4.609 -5.298 -6.381) 9.488 11.312 ( 3.177 -4.424 -1.011) 5.540 11.666 ( -2.939 4.954 4.817) 7.509 11.916 ( -1.528 -6.657 2.073) 7.138 12.101 ( -4.028 10.412 -7.249) 13.311 12.337 ( 6.481 11.939 -3.882) 14.128 12.650 ( -1.940 4.029 -2.186) 4.978 13.101 ( -3.608 -7.797 3.820) 9.402 13.197 ( -4.974 -2.706 -4.042) 6.957 13.499 ( 3.158 -4.777 -0.694) 5.768 13.580 ( -1.787 -10.434 -5.561) 11.958======================= Grid point 380 (123/140) =======================q-point: ( 0.33 0.15 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.105 ( 6.576 1.282 1.369) 6.838 2.293 ( -2.061 1.336 0.041) 2.457 2.599 ( 1.331 6.971 5.325) 8.872 2.665 ( -0.952 6.987 -1.284) 7.168 2.885 ( 1.771 5.435 4.123) 7.048 2.963 ( -2.166 2.361 0.297) 3.218 4.282 ( 4.316 6.805 13.209) 15.473 4.434 ( -0.293 17.076 -0.385) 17.083 4.506 ( 1.082 11.170 -4.706) 12.169 4.558 ( -4.326 18.466 0.097) 18.967 5.167 ( 7.666 8.217 -7.144) 13.316 5.220 ( 5.722 10.608 -7.094) 13.986 5.809 ( 17.990 -4.541 2.624) 18.739 6.554 ( -7.174 10.885 -0.834) 13.063 6.799 ( 8.349 9.931 10.930) 16.965 7.061 ( -3.473 14.318 -6.349) 16.043 7.394 ( -6.368 0.901 0.736) 6.474 7.725 ( -12.231 -3.651 -0.096) 12.764 9.563 ( -0.136 -11.089 1.715) 11.222 9.590 ( -1.386 -10.543 0.114) 10.634 10.155 ( 1.747 -3.733 6.570) 7.756 10.217 ( -2.708 -1.491 5.268) 6.108 10.540 ( -1.431 4.507 -4.481) 6.514 10.608 ( -2.472 2.095 2.605) 4.158 10.936 ( 6.623 -5.905 7.902) 11.882 11.081 ( 1.444 -4.686 -4.070) 6.372 11.407 ( 5.383 -5.761 -0.355) 7.892 11.600 ( -3.224 0.438 8.200) 8.822 11.891 ( -0.212 -1.163 0.693) 1.370 12.016 ( -4.170 9.509 -6.321) 12.156 12.468 ( 5.398 10.583 -3.894) 12.503 12.603 ( -2.201 3.307 -4.545) 6.036 12.984 ( -4.700 -9.724 -2.029) 10.989 13.088 ( -6.432 -1.810 -1.003) 6.757 13.539 ( 1.966 -4.661 -0.810) 5.123 13.587 ( 0.921 -5.483 -3.220) 6.425======================= Grid point 381 (124/140) =======================q-point: (-0.50 0.15 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.226 ( -4.486 1.177 0.286) 4.646 2.226 ( 4.486 1.177 0.286) 4.646 2.632 ( -1.759 6.894 2.503) 7.542 2.632 ( 1.759 6.894 2.503) 7.542 2.921 ( -1.775 3.455 2.034) 4.385 2.921 ( 1.775 3.455 2.034) 4.385 4.376 ( -4.441 12.831 5.854) 14.786 4.376 ( 4.441 12.831 5.854) 14.786 4.517 ( -0.317 13.589 -2.203) 13.770 4.517 ( 0.317 13.589 -2.203) 13.770 5.267 ( -1.339 11.470 -7.280) 13.651 5.267 ( 1.339 11.470 -7.280) 13.651 6.250 ( -20.457 -2.203 1.111) 20.605 6.250 ( 20.457 -2.203 1.111) 20.605 6.954 ( -5.833 14.650 6.582) 17.087 6.954 ( 5.833 14.650 6.582) 17.087 7.458 ( -10.924 -0.249 -3.681) 11.530 7.458 ( 10.924 -0.249 -3.681) 11.530 9.568 ( -0.656 -11.201 1.012) 11.266 9.568 ( 0.656 -11.201 1.012) 11.266 10.181 ( -1.203 -2.107 6.002) 6.474 10.181 ( 1.203 -2.107 6.002) 6.474 10.551 ( -2.189 2.987 -1.737) 4.090 10.551 ( 2.189 2.987 -1.737) 4.090 11.054 ( -3.897 -4.835 2.762) 6.797 11.054 ( 3.897 -4.835 2.762) 6.797 11.518 ( -4.721 -4.911 3.376) 7.603 11.518 ( 4.721 -4.911 3.376) 7.603 11.928 ( -3.596 6.054 -1.153) 7.135 11.928 ( 3.596 6.054 -1.153) 7.135 12.554 ( -2.841 5.796 -5.680) 8.598 12.554 ( 2.841 5.796 -5.680) 8.598 12.968 ( -3.387 -5.077 -2.181) 6.481 12.968 ( 3.387 -5.077 -2.181) 6.481 13.582 ( -1.457 -4.168 -1.407) 4.634 13.582 ( 1.457 -4.168 -1.407) 4.634======================= Grid point 385 (125/140) =======================q-point: ( 0.00 0.23 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 0.000 2.181 1.148) 2.465 2.371 ( 0.000 0.868 2.507) 2.653 2.632 ( 0.000 3.709 -0.293) 3.720 2.812 ( 0.000 8.151 0.846) 8.195 2.962 ( 0.000 1.227 6.858) 6.967 3.146 ( 0.000 10.492 -3.614) 11.097 4.129 ( 0.000 -1.406 17.464) 17.521 4.544 ( 0.000 1.210 -14.363) 14.414 4.705 ( 0.000 8.835 12.770) 15.528 5.042 ( 0.000 3.076 -9.706) 10.182 5.062 ( 0.000 13.625 -3.091) 13.971 5.298 ( 0.000 32.365 -2.743) 32.481 5.607 ( 0.000 11.472 -6.942) 13.409 6.855 ( 0.000 21.598 7.078) 22.728 7.072 ( 0.000 19.417 2.849) 19.624 7.518 ( 0.000 -10.845 2.461) 11.121 7.534 ( 0.000 20.354 -4.140) 20.771 7.897 ( 0.000 -5.654 2.161) 6.052 9.341 ( 0.000 -12.893 1.672) 13.001 9.462 ( 0.000 -8.897 -2.899) 9.358 9.980 ( 0.000 -3.067 5.563) 6.352 10.251 ( 0.000 -14.487 -0.277) 14.489 10.619 ( 0.000 8.596 11.912) 14.689 10.646 ( 0.000 -4.447 13.182) 13.912 10.813 ( 0.000 -6.231 -3.268) 7.036 10.814 ( 0.000 4.513 -6.903) 8.247 11.217 ( 0.000 -2.807 -1.304) 3.095 11.752 ( 0.000 -7.962 0.827) 8.005 11.822 ( 0.000 5.554 -1.233) 5.690 12.372 ( 0.000 4.404 -8.297) 9.393 12.430 ( 0.000 11.711 1.185) 11.771 12.776 ( 0.000 5.606 0.068) 5.606 12.911 ( 0.000 -15.020 2.848) 15.287 13.246 ( 0.000 0.966 -6.064) 6.140 13.357 ( 0.000 -12.588 -2.662) 12.866 13.398 ( 0.000 -0.924 -3.176) 3.307======================= Grid point 386 (126/140) =======================q-point: ( 0.17 0.23 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.010 ( 4.775 1.922 1.040) 5.251 2.356 ( -1.219 1.231 1.322) 2.179 2.653 ( 1.381 2.934 1.483) 3.566 2.814 ( -0.369 6.750 -0.098) 6.761 2.955 ( -0.115 2.326 6.129) 6.556 3.135 ( -1.050 10.263 -2.841) 10.700 4.214 ( 7.212 0.801 15.206) 16.849 4.595 ( 3.945 3.818 -12.909) 14.028 4.766 ( 3.801 13.914 8.313) 16.648 5.071 ( 5.584 4.520 -0.758) 7.224 5.153 ( 0.181 16.337 -3.968) 16.813 5.225 ( 1.884 18.074 -5.803) 19.076 5.683 ( 5.683 14.633 -6.309) 16.918 6.882 ( 2.643 19.697 5.982) 20.755 6.982 ( -9.060 11.067 2.767) 14.568 7.471 ( -2.983 4.448 2.610) 5.958 7.524 ( -1.396 12.137 -3.551) 12.723 7.834 ( -5.775 -4.325 1.824) 7.442 9.341 ( -0.003 -12.310 1.226) 12.371 9.436 ( -2.128 -9.132 -1.351) 9.473 10.015 ( 2.912 -3.424 5.294) 6.944 10.202 ( -3.375 -10.032 0.524) 10.598 10.623 ( -1.556 0.472 4.248) 4.549 10.650 ( -0.304 -3.193 12.224) 12.638 10.772 ( 2.880 4.238 1.380) 5.306 10.931 ( 5.274 -2.768 -5.812) 8.322 11.236 ( 1.882 -3.465 -0.198) 3.949 11.666 ( -5.897 -4.589 2.881) 8.008 11.868 ( 2.630 2.732 0.441) 3.817 12.278 ( -4.770 6.063 -7.590) 10.823 12.537 ( 4.674 8.199 -1.917) 9.630 12.693 ( -5.896 0.139 -0.238) 5.903 12.873 ( -3.349 -11.885 -2.003) 12.509 13.222 ( -2.927 2.443 -1.941) 4.278 13.373 ( 2.522 -8.640 -3.076) 9.512 13.443 ( 3.262 -2.212 -2.969) 4.935======================= Grid point 387 (127/140) =======================q-point: ( 0.33 0.23 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( 6.268 1.480 0.708) 6.479 2.322 ( -2.181 1.414 0.014) 2.599 2.679 ( 1.263 2.074 3.063) 3.909 2.778 ( -2.792 3.538 0.996) 4.615 2.978 ( 2.254 5.403 2.717) 6.453 3.099 ( -2.417 9.195 -1.132) 9.574 4.395 ( 9.174 5.883 10.466) 15.110 4.668 ( 1.314 8.730 -6.820) 11.156 4.787 ( -0.428 16.910 -3.189) 17.214 4.995 ( -8.418 22.330 -2.469) 23.991 5.316 ( 14.758 4.197 6.813) 16.788 5.452 ( 10.970 11.098 -3.892) 16.083 5.836 ( 10.250 9.755 -5.715) 15.261 6.662 ( -19.940 -0.802 0.512) 19.963 6.997 ( 7.954 12.785 5.746) 16.116 7.399 ( -5.266 15.957 3.049) 17.078 7.496 ( -0.088 8.618 -2.211) 8.898 7.675 ( -8.210 1.817 0.345) 8.415 9.341 ( 0.055 -11.371 0.700) 11.392 9.387 ( -2.222 -9.973 0.368) 10.224 10.078 ( 2.511 -3.814 5.363) 7.044 10.147 ( -1.617 -5.388 1.254) 5.764 10.577 ( -1.476 -0.913 0.565) 1.825 10.626 ( -1.918 -1.192 6.922) 7.281 10.882 ( 5.924 1.121 4.177) 7.335 11.011 ( 1.689 -2.993 -4.363) 5.554 11.302 ( 4.261 -4.700 3.040) 7.035 11.534 ( -6.242 -4.701 6.188) 9.968 11.934 ( 4.063 3.547 2.884) 6.116 12.179 ( -5.175 6.114 -6.886) 10.563 12.510 ( -3.948 -6.917 -2.665) 8.398 12.612 ( -4.421 -2.429 -10.293) 11.463 12.861 ( 4.095 -0.351 -1.856) 4.510 13.124 ( -5.822 4.359 -1.140) 7.361 13.451 ( 3.862 -3.857 -1.430) 5.643 13.502 ( 1.852 -2.867 -1.887) 3.900======================= Grid point 388 (128/140) =======================q-point: (-0.50 0.23 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( -4.576 1.326 0.125) 4.766 2.252 ( 4.576 1.326 0.125) 4.766 2.717 ( -2.504 2.111 2.410) 4.066 2.717 ( 2.504 2.111 2.410) 4.066 3.038 ( -3.107 7.576 0.503) 8.204 3.038 ( 3.107 7.576 0.503) 8.204 4.582 ( -7.877 10.301 4.435) 13.705 4.582 ( 7.877 10.301 4.435) 13.705 4.846 ( -5.381 17.344 -6.709) 19.359 4.846 ( 5.381 17.344 -6.709) 19.359 5.537 ( -3.893 14.181 2.433) 14.906 5.537 ( 3.893 14.181 2.433) 14.906 6.192 ( -22.212 -2.659 -1.971) 22.457 6.192 ( 22.212 -2.659 -1.971) 22.457 7.213 ( -11.235 9.074 4.200) 15.040 7.213 ( 11.235 9.074 4.200) 15.040 7.539 ( -4.139 10.908 -1.252) 11.734 7.539 ( 4.139 10.908 -1.252) 11.734 9.351 ( -1.073 -10.735 0.673) 10.810 9.351 ( 1.073 -10.735 0.673) 10.810 10.119 ( -1.482 -3.810 3.634) 5.470 10.119 ( 1.482 -3.810 3.634) 5.470 10.581 ( -1.714 -0.549 2.294) 2.916 10.581 ( 1.714 -0.549 2.294) 2.916 10.989 ( -3.569 -1.699 0.445) 3.978 10.989 ( 3.569 -1.699 0.445) 3.978 11.408 ( -5.600 -5.207 6.023) 9.734 11.408 ( 5.600 -5.207 6.023) 9.734 12.048 ( -6.492 4.764 0.662) 8.079 12.048 ( 6.492 4.764 0.662) 8.079 12.507 ( -3.623 -8.236 -10.712) 13.989 12.507 ( 3.623 -8.236 -10.712) 13.989 12.989 ( -6.723 5.412 -1.509) 8.761 12.989 ( 6.723 5.412 -1.509) 8.761 13.509 ( -1.278 -2.873 -1.098) 3.331 13.509 ( 1.278 -2.873 -1.098) 3.331======================= Grid point 392 (129/140) =======================q-point: ( 0.00 0.31 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( 0.000 1.792 0.341) 1.824 2.379 ( 0.000 -0.058 1.543) 1.544 2.702 ( 0.000 3.244 -0.354) 3.263 2.909 ( 0.000 1.601 0.957) 1.865 3.004 ( 0.000 3.662 2.913) 4.679 3.336 ( 0.000 8.155 -1.129) 8.232 4.100 ( 0.000 -1.436 10.818) 10.913 4.529 ( 0.000 -1.937 -11.250) 11.415 4.775 ( 0.000 0.261 11.973) 11.976 5.093 ( 0.000 1.470 -15.822) 15.890 5.390 ( 0.000 18.784 -0.044) 18.784 5.908 ( 0.000 18.301 -2.441) 18.463 5.927 ( 0.000 30.774 -1.176) 30.796 7.278 ( 0.000 -13.378 1.297) 13.441 7.278 ( 0.000 17.125 6.943) 18.479 7.446 ( 0.000 17.090 7.736) 18.759 7.703 ( 0.000 -2.193 -4.625) 5.119 7.983 ( 0.000 15.824 0.933) 15.852 9.100 ( 0.000 -10.429 -0.099) 10.429 9.304 ( 0.000 -7.269 -1.719) 7.469 9.905 ( 0.000 -10.209 5.584) 11.636 9.998 ( 0.000 -5.226 -1.116) 5.344 10.556 ( 0.000 -5.467 12.482) 13.627 10.714 ( 0.000 -3.250 -1.787) 3.709 10.732 ( 0.000 1.415 4.274) 4.502 10.913 ( 0.000 7.651 3.211) 8.297 11.173 ( 0.000 -1.245 1.099) 1.661 11.650 ( 0.000 -2.697 -1.250) 2.973 11.916 ( 0.000 4.028 -3.013) 5.030 12.412 ( 0.000 0.133 -7.454) 7.455 12.587 ( 0.000 -3.844 5.365) 6.600 12.659 ( 0.000 -2.308 -6.314) 6.722 12.881 ( 0.000 4.903 1.624) 5.165 13.099 ( 0.000 -11.296 -4.183) 12.045 13.278 ( 0.000 -0.187 -3.159) 3.164 13.393 ( 0.000 0.263 -4.051) 4.060======================= Grid point 393 (130/140) =======================q-point: ( 0.17 0.31 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 4.408 1.601 0.320) 4.701 2.371 ( -0.778 0.263 0.934) 1.244 2.703 ( 0.004 2.207 0.666) 2.306 2.882 ( -2.532 1.001 1.279) 3.008 3.027 ( 2.196 4.471 1.734) 5.275 3.318 ( -1.722 7.794 -0.799) 8.022 4.232 ( 11.455 1.087 7.883) 13.948 4.646 ( 9.363 1.994 -9.604) 13.560 4.889 ( 10.759 0.031 12.850) 16.759 5.189 ( 7.453 4.358 -13.639) 16.142 5.362 ( -0.496 13.588 -1.631) 13.694 5.684 ( -11.902 22.426 -2.583) 25.519 6.091 ( 6.109 24.741 -0.398) 25.487 7.003 ( -18.215 -7.799 1.074) 19.843 7.293 ( -0.358 19.274 6.337) 20.292 7.550 ( 2.797 0.508 7.742) 8.248 7.677 ( -0.575 7.157 -5.016) 8.759 7.967 ( -1.512 16.179 0.798) 16.269 9.112 ( 0.891 -10.203 0.067) 10.242 9.272 ( -2.712 -7.590 -0.920) 8.112 9.921 ( 1.487 -10.667 4.263) 11.583 10.020 ( 1.953 -3.129 -0.374) 3.707 10.541 ( -1.469 -6.231 8.071) 10.302 10.639 ( -2.543 0.442 7.186) 7.636 10.838 ( 5.260 -1.940 -0.885) 5.675 10.930 ( 1.202 5.785 2.529) 6.427 11.184 ( 1.354 -1.171 2.407) 3.000 11.598 ( -4.565 -1.650 -1.334) 5.034 11.930 ( 1.299 2.631 1.597) 3.340 12.319 ( -5.314 -1.789 -8.373) 10.077 12.572 ( -8.059 -5.828 -2.796) 10.332 12.694 ( -10.744 -4.216 -6.432) 13.213 12.724 ( 8.610 2.794 2.110) 9.295 13.246 ( 7.290 -3.296 -3.101) 8.581 13.261 ( -0.332 0.576 -0.363) 0.757 13.426 ( 2.463 -0.031 -4.031) 4.724======================= Grid point 394 (131/140) =======================q-point: ( 0.33 0.31 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( 5.919 1.202 0.229) 6.044 2.342 ( -2.088 0.602 0.156) 2.179 2.705 ( 0.538 0.877 1.714) 1.999 2.811 ( -3.806 0.532 1.533) 4.137 3.092 ( 3.769 5.417 0.476) 6.616 3.263 ( -3.460 7.029 -0.286) 7.839 4.520 ( 14.348 6.795 3.110) 16.177 4.842 ( 7.237 9.219 -6.045) 13.187 5.103 ( -0.234 14.395 2.797) 14.666 5.301 ( 13.748 -1.157 6.007) 15.047 5.419 ( -9.260 19.311 -2.736) 21.590 5.592 ( 15.673 2.727 -7.980) 17.798 6.157 ( -0.315 18.675 1.547) 18.741 6.568 ( -21.650 -7.079 -2.930) 22.966 7.290 ( 0.486 15.939 4.986) 16.708 7.473 ( -7.012 -3.944 2.128) 8.322 7.746 ( 4.864 16.823 1.190) 17.553 7.919 ( -2.987 16.899 0.941) 17.186 9.130 ( 0.876 -9.646 0.270) 9.689 9.207 ( -3.037 -8.325 0.101) 8.862 9.968 ( 2.945 -8.630 2.413) 9.432 10.057 ( 0.760 -2.356 0.812) 2.605 10.514 ( -0.189 -4.809 4.609) 6.664 10.599 ( -1.947 -0.322 10.069) 10.260 10.928 ( 2.812 -1.053 -0.759) 3.097 10.954 ( 1.095 -0.016 0.498) 1.203 11.242 ( 4.073 -0.636 4.985) 6.469 11.479 ( -6.232 -0.572 1.342) 6.400 11.973 ( 2.965 -0.343 7.423) 8.000 12.234 ( -3.988 -0.651 -10.913) 11.637 12.347 ( -8.726 -8.080 -1.557) 11.994 12.500 ( -8.091 -6.365 -14.201) 17.539 12.920 ( 9.025 3.903 -0.297) 9.837 13.202 ( -3.856 2.871 -1.839) 5.147 13.402 ( 5.537 -1.043 -0.447) 5.652 13.474 ( 1.601 -0.304 -2.778) 3.221======================= Grid point 395 (132/140) =======================q-point: (-0.50 0.31 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.274 ( -4.459 0.835 0.060) 4.537 2.274 ( 4.459 0.835 0.060) 4.537 2.738 ( -2.678 0.426 1.724) 3.213 2.738 ( 2.678 0.426 1.724) 3.213 3.179 ( -4.235 6.251 0.039) 7.551 3.179 ( 4.235 6.251 0.039) 7.551 4.797 ( -10.689 11.567 -0.129) 15.750 4.797 ( 10.689 11.567 -0.129) 15.750 5.171 ( -9.400 15.847 -3.656) 18.785 5.171 ( 9.400 15.847 -3.656) 18.785 5.711 ( -12.574 1.928 7.605) 14.821 5.711 ( 12.574 1.928 7.605) 14.821 6.191 ( -10.508 2.527 -6.844) 12.792 6.191 ( 10.508 2.527 -6.844) 12.792 7.339 ( -4.600 6.335 2.844) 8.329 7.339 ( 4.600 6.335 2.844) 8.329 7.843 ( -4.168 17.218 1.534) 17.782 7.843 ( 4.168 17.218 1.534) 17.782 9.156 ( -1.710 -9.024 0.364) 9.191 9.156 ( 1.710 -9.024 0.364) 9.191 10.034 ( -2.706 -5.033 1.492) 5.906 10.034 ( 2.706 -5.033 1.492) 5.906 10.546 ( -2.681 -2.088 6.886) 7.679 10.546 ( 2.681 -2.088 6.886) 7.679 10.962 ( -0.656 -1.771 0.002) 1.888 10.962 ( 0.656 -1.771 0.002) 1.888 11.348 ( -5.818 -0.353 4.786) 7.542 11.348 ( 5.818 -0.353 4.786) 7.542 12.076 ( -7.224 -2.669 4.507) 8.923 12.076 ( 7.224 -2.669 4.507) 8.923 12.350 ( -5.413 -6.066 -15.438) 17.448 12.350 ( 5.413 -6.066 -15.438) 17.448 13.090 ( -6.789 4.069 -1.478) 8.052 13.090 ( 6.789 4.069 -1.478) 8.052 13.477 ( -1.543 -0.458 -1.252) 2.040 13.477 ( 1.543 -0.458 -1.252) 2.040======================= Grid point 399 (133/140) =======================q-point: ( 0.00 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.024 ( 0.000 1.132 -0.071) 1.134 2.372 ( 0.000 -0.526 0.846) 0.997 2.754 ( 0.000 2.082 -0.269) 2.100 2.919 ( 0.000 0.089 1.481) 1.484 3.070 ( 0.000 2.582 0.171) 2.588 3.458 ( 0.000 4.358 -0.102) 4.360 4.077 ( 0.000 -0.844 3.525) 3.625 4.488 ( 0.000 -1.934 -5.662) 5.983 4.766 ( 0.000 -0.606 2.636) 2.705 5.095 ( 0.000 -0.859 -10.262) 10.298 5.765 ( 0.000 18.926 1.289) 18.970 6.290 ( 0.000 19.994 1.174) 20.028 6.457 ( 0.000 21.849 2.012) 21.941 7.006 ( 0.000 -13.532 -2.028) 13.683 7.388 ( 0.000 -9.627 9.701) 13.667 7.505 ( 0.000 1.589 -0.049) 1.590 7.948 ( 0.000 17.722 -2.817) 17.944 8.267 ( 0.000 11.938 1.387) 12.018 8.978 ( 0.000 -1.608 1.789) 2.406 9.179 ( 0.000 -5.395 -1.312) 5.552 9.635 ( 0.000 -13.436 0.232) 13.438 10.014 ( 0.000 3.548 3.835) 5.225 10.425 ( 0.000 -7.550 10.159) 12.657 10.688 ( 0.000 0.015 0.740) 0.740 10.715 ( 0.000 -1.653 0.422) 1.706 11.062 ( 0.000 4.412 3.787) 5.814 11.214 ( 0.000 7.336 9.869) 12.297 11.619 ( 0.000 -1.223 0.002) 1.223 11.980 ( 0.000 2.464 -4.385) 5.030 12.368 ( 0.000 -11.237 -9.626) 14.796 12.397 ( 0.000 -1.148 -6.411) 6.513 12.740 ( 0.000 3.590 1.476) 3.882 12.907 ( 0.000 -8.063 -1.738) 8.248 12.961 ( 0.000 3.160 3.199) 4.497 13.257 ( 0.000 -1.726 -5.610) 5.869 13.399 ( 0.000 0.167 -5.387) 5.389======================= Grid point 400 (134/140) =======================q-point: ( 0.17 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( 4.141 1.008 -0.053) 4.262 2.368 ( -0.452 -0.375 0.665) 0.888 2.738 ( -1.289 1.356 0.134) 1.875 2.889 ( -2.739 0.042 1.422) 3.087 3.100 ( 2.675 2.720 -0.068) 3.816 3.434 ( -2.196 4.113 -0.009) 4.663 4.254 ( 15.511 1.066 1.506) 15.620 4.683 ( 16.402 1.832 -3.882) 16.954 4.866 ( 9.354 -1.214 3.880) 10.199 5.197 ( 10.015 -2.093 -10.215) 14.458 5.684 ( -7.254 17.444 0.593) 18.902 6.090 ( -13.407 18.858 0.058) 23.138 6.541 ( 0.742 17.274 6.356) 18.421 6.805 ( -14.699 -8.660 -5.332) 17.874 7.390 ( -0.364 -10.816 6.274) 12.509 7.550 ( 2.508 6.356 1.650) 7.029 7.983 ( 3.133 16.627 -1.314) 16.970 8.254 ( -1.229 12.081 1.489) 12.234 8.980 ( 0.102 -2.831 1.562) 3.235 9.142 ( -3.164 -5.610 -0.934) 6.509 9.672 ( 3.531 -12.295 0.119) 12.793 10.032 ( 1.180 2.481 2.957) 4.036 10.411 ( -0.745 -6.648 9.317) 11.470 10.659 ( -1.465 1.473 5.604) 5.977 10.773 ( 3.759 -3.272 -0.842) 5.055 11.036 ( -2.305 2.840 2.401) 4.376 11.236 ( 1.999 7.219 9.597) 12.175 11.588 ( -2.900 0.038 -2.341) 3.727 11.955 ( -2.322 -0.434 3.458) 4.188 12.231 ( -5.312 -5.889 -13.735) 15.861 12.470 ( -1.656 -3.609 -7.892) 8.834 12.576 ( -16.461 -6.202 -2.360) 17.748 12.804 ( 6.597 3.221 2.425) 7.731 13.214 ( 9.625 -0.211 -0.729) 9.655 13.262 ( 1.146 -0.696 -2.532) 2.865 13.428 ( 2.373 0.121 -5.337) 5.842======================= Grid point 401 (135/140) =======================q-point: ( 0.33 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( 5.526 0.686 -0.038) 5.569 2.346 ( -1.842 -0.136 0.306) 1.872 2.718 ( -0.171 0.448 0.645) 0.804 2.814 ( -3.887 -0.009 1.274) 4.090 3.176 ( 4.341 3.096 -0.174) 5.334 3.368 ( -3.928 3.801 0.025) 5.466 4.651 ( 19.789 6.248 -1.412) 20.800 5.032 ( 12.876 10.157 -2.436) 16.580 5.167 ( 18.635 -4.384 6.654) 20.267 5.443 ( -2.560 10.931 -4.293) 12.020 5.582 ( 13.516 -0.664 -4.371) 14.221 5.788 ( -14.398 16.894 -0.684) 22.208 6.305 ( -19.017 -7.194 5.469) 21.055 6.556 ( -11.727 8.072 -5.936) 15.425 7.406 ( 2.578 -1.708 2.997) 4.307 7.559 ( -1.783 10.234 2.742) 10.744 8.066 ( 4.263 14.730 1.016) 15.368 8.215 ( -2.442 12.590 1.757) 12.944 8.984 ( 0.475 -4.885 0.959) 5.001 9.066 ( -3.509 -5.944 -0.278) 6.908 9.779 ( 6.284 -9.630 -0.031) 11.499 10.025 ( -2.712 -1.696 1.019) 3.357 10.430 ( 3.088 -3.096 9.870) 10.795 10.616 ( -3.002 1.686 9.981) 10.558 10.854 ( 3.586 -3.725 0.104) 5.172 10.977 ( -2.901 0.295 1.260) 3.176 11.296 ( 3.654 5.740 6.819) 9.634 11.502 ( -5.009 2.550 -3.515) 6.629 11.902 ( -1.318 -6.764 8.397) 10.862 12.188 ( -5.136 -3.386 -11.366) 12.924 12.203 ( -8.175 -6.049 -4.956) 11.313 12.411 ( -5.807 -2.747 -11.882) 13.508 12.981 ( 8.856 2.289 0.236) 9.150 13.232 ( -2.270 0.529 -3.333) 4.067 13.402 ( 6.010 0.522 0.796) 6.085 13.477 ( 1.680 0.356 -3.960) 4.317======================= Grid point 402 (136/140) =======================q-point: (-0.50 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( -4.082 0.230 0.032) 4.089 2.284 ( 4.082 0.230 0.032) 4.089 2.742 ( -2.510 0.083 1.027) 2.713 2.742 ( 2.510 0.083 1.027) 2.713 3.274 ( -4.740 3.502 -0.064) 5.894 3.274 ( 4.740 3.502 -0.064) 5.894 5.023 ( -13.808 11.269 -1.773) 17.911 5.023 ( 13.808 11.269 -1.773) 17.911 5.444 ( -9.298 9.728 0.428) 13.464 5.444 ( 9.298 9.728 0.428) 13.464 5.675 ( -15.182 -1.571 2.589) 15.481 5.675 ( 15.182 -1.571 2.589) 15.481 6.216 ( -16.922 -1.447 -4.905) 17.678 6.216 ( 16.922 -1.447 -4.905) 17.678 7.488 ( -4.369 8.095 2.623) 9.566 7.488 ( 4.369 8.095 2.623) 9.566 8.151 ( -3.611 13.462 1.909) 14.068 8.151 ( 3.611 13.462 1.909) 14.068 9.007 ( -1.874 -5.901 0.306) 6.199 9.007 ( 1.874 -5.901 0.306) 6.199 9.920 ( -6.483 -6.241 0.093) 9.000 9.920 ( 6.483 -6.241 0.093) 9.000 10.527 ( -5.145 0.212 10.952) 12.103 10.527 ( 5.145 0.212 10.952) 12.103 10.919 ( -2.692 -2.199 1.010) 3.620 10.919 ( 2.692 -2.199 1.010) 3.620 11.390 ( -5.139 4.073 1.480) 6.723 11.390 ( 5.139 4.073 1.480) 6.723 11.955 ( -7.004 -8.310 2.755) 11.212 11.955 ( 7.004 -8.310 2.755) 11.212 12.282 ( -5.766 -1.693 -13.491) 14.769 12.282 ( 5.766 -1.693 -13.491) 14.769 13.144 ( -6.101 1.701 -1.722) 6.563 13.144 ( 6.101 1.701 -1.722) 6.563 13.481 ( -1.589 0.534 -1.485) 2.240 13.481 ( 1.589 0.534 -1.485) 2.240======================= Grid point 406 (137/140) =======================q-point: ( 0.00 0.46 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( 0.000 0.381 -0.217) 0.438 2.363 ( 0.000 -0.286 0.500) 0.576 2.782 ( 0.000 0.700 -0.128) 0.711 2.920 ( 0.000 0.033 1.376) 1.377 3.102 ( 0.000 0.785 -0.815) 1.131 3.512 ( 0.000 1.291 0.291) 1.323 4.067 ( 0.000 -0.244 -1.492) 1.511 4.461 ( 0.000 -0.768 -1.628) 1.800 4.759 ( 0.000 -0.172 -4.252) 4.255 5.076 ( 0.000 -0.691 -4.770) 4.820 6.093 ( 0.000 12.449 2.201) 12.642 6.636 ( 0.000 -5.399 10.724) 12.007 6.654 ( 0.000 15.243 2.775) 15.493 6.881 ( 0.000 3.479 -11.100) 11.633 7.138 ( 0.000 -12.533 6.657) 14.192 7.513 ( 0.000 -0.479 -0.922) 1.039 8.185 ( 0.000 5.960 -2.201) 6.353 8.431 ( 0.000 4.410 -0.127) 4.412 8.997 ( 0.000 1.571 5.726) 5.937 9.104 ( 0.000 -1.869 -1.393) 2.331 9.436 ( 0.000 -5.789 -0.566) 5.817 10.106 ( 0.000 5.189 3.013) 6.000 10.279 ( 0.000 -6.580 10.756) 12.610 10.692 ( 0.000 -0.595 0.422) 0.729 10.695 ( 0.000 0.398 1.560) 1.610 11.095 ( 0.000 0.479 1.217) 1.308 11.405 ( 0.000 9.190 19.103) 21.198 11.577 ( 0.000 -3.520 3.445) 4.925 12.012 ( 0.000 0.837 -5.132) 5.200 12.194 ( 0.000 -5.425 -20.689) 21.388 12.379 ( 0.000 -0.544 -5.711) 5.737 12.781 ( 0.000 0.705 2.527) 2.624 12.796 ( 0.000 -2.793 0.154) 2.797 13.003 ( 0.000 1.056 4.267) 4.396 13.226 ( 0.000 -1.040 -7.684) 7.754 13.400 ( 0.000 -0.031 -6.408) 6.408======================= Grid point 407 (138/140) =======================q-point: ( 0.17 0.46 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 351Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.084 ( 3.988 0.336 -0.193) 4.007 2.361 ( -0.322 -0.249 0.534) 0.671 2.756 ( -1.990 0.445 -0.195) 2.048 2.889 ( -2.799 0.002 1.302) 3.087 3.134 ( 2.838 0.823 -0.665) 3.029 3.485 ( -2.397 1.209 0.232) 2.694 4.269 ( 17.939 0.425 -1.465) 18.004 4.710 ( 21.245 0.730 0.150) 21.258 4.856 ( 9.395 0.038 -4.608) 10.464 5.150 ( 7.023 -1.769 -4.808) 8.693 5.993 ( -8.979 12.197 1.770) 15.248 6.359 ( -15.852 4.446 6.004) 17.524 6.536 ( -15.272 -4.045 -2.885) 16.060 6.910 ( -4.783 8.764 0.878) 10.023 7.182 ( 8.012 -8.542 3.012) 12.093 7.605 ( 5.965 0.547 -0.355) 6.001 8.211 ( 2.353 5.901 -1.112) 6.450 8.421 ( -0.917 4.555 0.300) 4.656 8.975 ( -1.863 0.815 4.891) 5.297 9.064 ( -3.403 -1.952 -1.221) 4.109 9.489 ( 4.875 -5.385 -0.641) 7.292 10.088 ( -2.420 2.386 1.428) 3.686 10.301 ( 2.653 -3.784 12.232) 13.076 10.686 ( -0.695 1.063 4.317) 4.500 10.726 ( 2.768 -1.395 0.408) 3.126 11.059 ( -3.191 0.365 1.117) 3.400 11.406 ( 0.127 7.740 17.266) 18.922 11.577 ( 0.117 -1.583 0.574) 1.688 11.913 ( -8.624 -2.745 -1.463) 9.168 12.147 ( -1.209 -2.038 -19.802) 19.943 12.427 ( 0.418 -0.986 -8.631) 8.697 12.480 ( -18.990 -2.921 0.291) 19.215 12.844 ( 5.999 0.946 2.964) 6.758 13.222 ( 8.814 0.741 -0.108) 8.846 13.242 ( 3.181 -1.104 -3.706) 5.007 13.429 ( 2.449 -0.031 -6.151) 6.621======================= Grid point 408 (139/140) =======================q-point: ( 0.33 0.46 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 352Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.187 ( 5.237 0.203 -0.151) 5.243 2.342 ( -1.662 -0.174 0.379) 1.714 2.724 ( -0.531 0.146 -0.002) 0.550 2.814 ( -3.878 -0.020 1.068) 4.022 3.215 ( 4.609 0.949 -0.351) 4.718 3.415 ( -4.057 1.145 0.113) 4.217 4.749 ( 25.143 3.135 -1.040) 25.359 5.086 ( 15.232 -2.805 0.337) 15.492 5.231 ( 16.264 9.947 -1.849) 19.154 5.412 ( 19.499 -7.846 -3.654) 21.333 5.757 ( -10.261 11.402 0.153) 15.340 6.013 ( -15.896 1.144 4.854) 16.659 6.149 ( -19.260 -2.801 -5.952) 20.352 6.638 ( -19.235 0.293 0.898) 19.258 7.412 ( 11.224 1.245 2.377) 11.540 7.681 ( 0.371 2.707 1.085) 2.940 8.275 ( 3.342 5.702 0.609) 6.637 8.392 ( -1.844 4.924 1.079) 5.367 8.935 ( -1.448 -0.809 2.807) 3.260 8.984 ( -3.604 -2.127 -0.638) 4.233 9.631 ( 8.221 -4.445 -0.649) 9.368 9.989 ( -6.718 -1.400 0.141) 6.864 10.400 ( 6.243 -0.374 13.705) 15.064 10.647 ( -3.380 1.030 9.912) 10.523 10.802 ( 4.082 -1.366 0.755) 4.371 10.977 ( -4.229 -0.077 0.945) 4.334 11.417 ( 1.341 4.764 9.810) 10.987 11.576 ( -1.591 5.338 -4.557) 7.196 11.739 ( -4.626 -8.868 1.226) 10.077 12.082 ( -16.881 -3.705 0.418) 17.288 12.167 ( 2.988 -0.562 -14.964) 15.269 12.378 ( -4.749 -0.797 -9.839) 10.954 13.010 ( 8.482 0.696 0.515) 8.526 13.236 ( -1.358 -0.000 -4.416) 4.620 13.410 ( 6.060 0.249 1.328) 6.209 13.482 ( 1.962 0.137 -4.529) 4.937======================= Grid point 409 (140/140) =======================q-point: (-0.50 0.46 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.285 ( -3.741 -0.007 0.016) 3.741 2.285 ( 3.741 -0.007 0.016) 3.741 2.743 ( -2.374 0.024 0.598) 2.448 2.743 ( 2.374 0.024 0.598) 2.448 3.318 ( -4.940 1.078 -0.074) 5.057 3.318 ( 4.940 1.078 -0.074) 5.057 5.227 ( -16.875 8.907 -0.468) 19.087 5.227 ( 16.875 8.907 -0.468) 19.087 5.434 ( -14.680 -6.379 1.587) 16.085 5.434 ( 14.680 -6.379 1.587) 16.085 5.785 ( -8.869 7.762 -3.113) 12.190 5.785 ( 8.869 7.762 -3.113) 12.190 6.141 ( -25.525 -4.688 -1.604) 26.002 6.141 ( 25.525 -4.688 -1.604) 26.002 7.610 ( -6.852 3.507 2.194) 8.003 7.610 ( 6.852 3.507 2.194) 8.003 8.342 ( -2.844 5.362 1.369) 6.222 8.342 ( 2.844 5.362 1.369) 6.222 8.930 ( -1.193 -1.944 0.667) 2.376 8.930 ( 1.193 -1.944 0.667) 2.376 9.819 ( -8.955 -3.234 -0.386) 9.528 9.819 ( 8.955 -3.234 -0.386) 9.528 10.540 ( -6.392 0.675 13.661) 15.098 10.540 ( 6.392 0.675 13.661) 15.098 10.889 ( -4.047 -0.769 0.907) 4.218 10.889 ( 4.047 -0.769 0.907) 4.218 11.481 ( -4.815 4.127 -0.099) 6.342 11.481 ( 4.815 4.127 -0.099) 6.342 11.802 ( -8.995 -5.877 0.598) 10.762 11.802 ( 8.995 -5.877 0.598) 10.762 12.262 ( -5.543 -0.488 -11.259) 12.559 12.262 ( 5.543 -0.488 -11.259) 12.559 13.164 ( -5.522 0.433 -2.015) 5.894 13.164 ( 5.522 0.433 -2.015) 5.894 13.490 ( -1.547 0.251 -1.570) 2.218 13.490 ( 1.547 0.251 -1.570) 2.218=================== 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 3/25272 10.0 840.723 1051.410 944.553 0.000 0.000 -0.000 3/25272 20.0 139.986 157.461 192.074 0.000 0.000 -0.000 3/25272 30.0 47.643 55.261 64.831 0.000 0.000 -0.000 3/25272 40.0 23.484 27.559 31.229 0.000 0.000 -0.000 3/25272 50.0 14.524 17.218 18.715 0.000 0.000 -0.000 3/25272 60.0 10.281 12.298 12.798 0.000 0.000 -0.000 3/25272 70.0 7.912 9.536 9.523 0.000 0.000 -0.000 3/25272 80.0 6.429 7.795 7.507 0.000 0.000 -0.000 3/25272 90.0 5.422 6.605 6.167 0.000 0.000 -0.000 3/25272 100.0 4.696 5.741 5.226 0.000 0.000 -0.000 3/25272 110.0 4.149 5.085 4.536 0.000 0.000 -0.000 3/25272 120.0 3.723 4.572 4.011 0.000 0.000 -0.000 3/25272 130.0 3.383 4.158 3.601 0.000 0.000 -0.000 3/25272 140.0 3.104 3.818 3.272 0.000 0.000 -0.000 3/25272 150.0 2.871 3.533 3.003 0.000 0.000 -0.000 3/25272 160.0 2.674 3.291 2.779 0.000 0.000 -0.000 3/25272 170.0 2.505 3.082 2.589 0.000 0.000 -0.000 3/25272 180.0 2.358 2.900 2.426 0.000 0.000 -0.000 3/25272 190.0 2.228 2.740 2.284 0.000 0.000 -0.000 3/25272 200.0 2.114 2.597 2.160 0.000 0.000 -0.000 3/25272 210.0 2.011 2.470 2.050 0.000 0.000 -0.000 3/25272 220.0 1.919 2.355 1.952 0.000 0.000 -0.000 3/25272 230.0 1.835 2.251 1.863 0.000 0.000 -0.000 3/25272 240.0 1.759 2.156 1.783 0.000 0.000 -0.000 3/25272 250.0 1.689 2.069 1.710 0.000 0.000 -0.000 3/25272 260.0 1.625 1.990 1.643 0.000 0.000 0.000 3/25272 270.0 1.566 1.916 1.582 0.000 0.000 0.000 3/25272 280.0 1.511 1.848 1.525 0.000 0.000 0.000 3/25272 290.0 1.460 1.785 1.473 0.000 0.000 0.000 3/25272 300.0 1.413 1.726 1.424 0.000 0.000 0.000 3/25272 310.0 1.368 1.671 1.378 0.000 0.000 0.000 3/25272 320.0 1.327 1.619 1.336 0.000 0.000 0.000 3/25272 330.0 1.288 1.571 1.296 0.000 0.000 0.000 3/25272 340.0 1.251 1.525 1.258 0.000 0.000 0.000 3/25272 350.0 1.216 1.482 1.223 0.000 0.000 0.000 3/25272 360.0 1.184 1.442 1.190 0.000 0.000 0.000 3/25272 370.0 1.153 1.404 1.158 0.000 0.000 0.000 3/25272 380.0 1.123 1.367 1.129 0.000 0.000 0.000 3/25272 390.0 1.095 1.333 1.100 0.000 0.000 0.000 3/25272 400.0 1.069 1.300 1.074 0.000 0.000 0.000 3/25272 410.0 1.043 1.269 1.048 0.000 0.000 0.000 3/25272 420.0 1.019 1.239 1.024 0.000 0.000 0.000 3/25272 430.0 0.996 1.211 1.001 0.000 0.000 0.000 3/25272 440.0 0.974 1.184 0.978 0.000 0.000 0.000 3/25272 450.0 0.953 1.158 0.957 0.000 0.000 0.000 3/25272 460.0 0.933 1.133 0.937 0.000 0.000 0.000 3/25272 470.0 0.914 1.110 0.918 0.000 0.000 0.000 3/25272 480.0 0.896 1.087 0.899 0.000 0.000 0.000 3/25272 490.0 0.878 1.065 0.881 0.000 0.000 0.000 3/25272 500.0 0.861 1.044 0.864 0.000 0.000 0.000 3/25272 510.0 0.844 1.024 0.848 0.000 0.000 0.000 3/25272 520.0 0.829 1.005 0.832 0.000 0.000 0.000 3/25272 530.0 0.813 0.986 0.816 0.000 0.000 0.000 3/25272 540.0 0.799 0.968 0.802 0.000 0.000 0.000 3/25272 550.0 0.785 0.951 0.788 0.000 0.000 0.000 3/25272 560.0 0.771 0.934 0.774 0.000 0.000 0.000 3/25272 570.0 0.758 0.918 0.761 0.000 0.000 0.000 3/25272 580.0 0.745 0.903 0.748 0.000 0.000 0.000 3/25272 590.0 0.733 0.888 0.736 0.000 0.000 0.000 3/25272 600.0 0.721 0.873 0.724 0.000 0.000 0.000 3/25272 610.0 0.709 0.859 0.712 0.000 0.000 0.000 3/25272 620.0 0.698 0.845 0.701 0.000 0.000 0.000 3/25272 630.0 0.688 0.832 0.690 0.000 0.000 0.000 3/25272 640.0 0.677 0.820 0.680 0.000 0.000 0.000 3/25272 650.0 0.667 0.807 0.669 0.000 0.000 0.000 3/25272 660.0 0.657 0.795 0.659 0.000 0.000 0.000 3/25272 670.0 0.647 0.783 0.650 0.000 0.000 0.000 3/25272 680.0 0.638 0.772 0.641 0.000 0.000 0.000 3/25272 690.0 0.629 0.761 0.631 0.000 0.000 0.000 3/25272 700.0 0.620 0.750 0.623 0.000 0.000 0.000 3/25272 710.0 0.612 0.740 0.614 0.000 0.000 0.000 3/25272 720.0 0.603 0.730 0.606 0.000 0.000 0.000 3/25272 730.0 0.595 0.720 0.598 0.000 0.000 0.000 3/25272 740.0 0.588 0.710 0.590 0.000 0.000 0.000 3/25272 750.0 0.580 0.701 0.582 0.000 0.000 0.000 3/25272 760.0 0.572 0.692 0.575 0.000 0.000 0.000 3/25272 770.0 0.565 0.683 0.567 0.000 0.000 0.000 3/25272 780.0 0.558 0.674 0.560 0.000 0.000 0.000 3/25272 790.0 0.551 0.666 0.553 0.000 0.000 0.000 3/25272 800.0 0.544 0.658 0.547 0.000 0.000 0.000 3/25272 810.0 0.538 0.650 0.540 0.000 0.000 0.000 3/25272 820.0 0.531 0.642 0.533 0.000 0.000 0.000 3/25272 830.0 0.525 0.634 0.527 0.000 0.000 0.000 3/25272 840.0 0.519 0.627 0.521 0.000 0.000 0.000 3/25272 850.0 0.513 0.620 0.515 0.000 0.000 0.000 3/25272 860.0 0.507 0.613 0.509 0.000 0.000 0.000 3/25272 870.0 0.501 0.606 0.503 0.000 0.000 0.000 3/25272 880.0 0.496 0.599 0.498 0.000 0.000 0.000 3/25272 890.0 0.490 0.592 0.492 0.000 0.000 0.000 3/25272 900.0 0.485 0.586 0.487 0.000 0.000 0.000 3/25272 910.0 0.480 0.579 0.482 0.000 0.000 0.000 3/25272 920.0 0.475 0.573 0.477 0.000 0.000 0.000 3/25272 930.0 0.470 0.567 0.472 0.000 0.000 0.000 3/25272 940.0 0.465 0.561 0.467 0.000 0.000 0.000 3/25272 950.0 0.460 0.555 0.462 0.000 0.000 0.000 3/25272 960.0 0.455 0.550 0.457 0.000 0.000 0.000 3/25272 970.0 0.451 0.544 0.453 0.000 0.000 0.000 3/25272 980.0 0.446 0.538 0.448 0.000 0.000 0.000 3/25272 990.0 0.442 0.533 0.444 0.000 0.000 0.000 3/25272 1000.0 0.437 0.528 0.439 0.000 0.000 0.000 3/25272Thermal conductivity related properties were written into "kappa-m6139.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:13:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|