# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/9cac69c4-5f11-4031-a4e3-cd79fed3d1b0/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 Na2S / Pnma (62) / materials id 556978](https://mdr.nims.go.jp/datasets/d4e0248f-1f6a-43cd-84ff-72b3b5630050) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 13:11:04]-------------------------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: Pnma (62)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 7.071830019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.276711310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.332577819999999Atomic positions (fractional): *1 Na 0.14586430437116 0.25000000000000 0.42837134765786 22.990 *2 Na 0.47618218220080 0.75000000000000 0.33122132110858 22.990 3 Na 0.97618218220080 0.75000000000000 0.16877867889142 22.990 4 Na 0.35413569562884 0.75000000000000 0.92837134765786 22.990 5 Na 0.52381781779920 0.25000000000000 0.66877867889141 22.990 6 Na 0.85413569562884 0.75000000000000 0.57162865234214 22.990 7 Na 0.64586430437116 0.25000000000000 0.07162865234214 22.990 8 Na 0.02381781779920 0.25000000000000 0.83122132110859 22.990 *9 S 0.75317494096850 0.25000000000000 0.38568247762282 32.065 10 S 0.25317494096850 0.25000000000000 0.11431752237718 32.065 11 S 0.74682505903150 0.75000000000000 0.88568247762282 32.065 12 S 0.24682505903150 0.75000000000000 0.61431752237718 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.071830019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.276711310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.332577819999999Atomic positions (fractional): *1 Na 0.14586430437116 0.25000000000000 0.42837134765786 22.990 > 1 *2 Na 0.47618218220080 0.75000000000000 0.33122132110858 22.990 > 2 3 Na 0.97618218220080 0.75000000000000 0.16877867889142 22.990 > 3 4 Na 0.35413569562884 0.75000000000000 0.92837134765786 22.990 > 4 5 Na 0.52381781779920 0.25000000000000 0.66877867889141 22.990 > 5 6 Na 0.85413569562884 0.75000000000000 0.57162865234214 22.990 > 6 7 Na 0.64586430437116 0.25000000000000 0.07162865234214 22.990 > 7 8 Na 0.02381781779920 0.25000000000000 0.83122132110859 22.990 > 8 *9 S 0.75317494096850 0.25000000000000 0.38568247762282 32.065 > 9 10 S 0.25317494096850 0.25000000000000 0.11431752237718 32.065 > 10 11 S 0.74682505903150 0.75000000000000 0.88568247762282 32.065 > 11 12 S 0.24682505903150 0.75000000000000 0.61431752237718 32.065 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 14.143660039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.830133929999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.665155639999998Atomic positions (fractional): *1 Na 0.07293215218558 0.08333333333333 0.21418567382893 22.990 > 1 2 Na 0.57293215218558 0.08333333333333 0.21418567382893 22.990 > 1 3 Na 0.07293215218558 0.41666666666667 0.21418567382893 22.990 > 1 4 Na 0.57293215218558 0.41666666666667 0.21418567382893 22.990 > 1 5 Na 0.07293215218558 0.75000000000000 0.21418567382893 22.990 > 1 6 Na 0.57293215218558 0.75000000000000 0.21418567382893 22.990 > 1 7 Na 0.07293215218558 0.08333333333333 0.71418567382893 22.990 > 1 8 Na 0.57293215218558 0.08333333333333 0.71418567382893 22.990 > 1 9 Na 0.07293215218558 0.41666666666667 0.71418567382893 22.990 > 1 10 Na 0.57293215218558 0.41666666666667 0.71418567382893 22.990 > 1 11 Na 0.07293215218558 0.75000000000000 0.71418567382893 22.990 > 1 12 Na 0.57293215218558 0.75000000000000 0.71418567382893 22.990 > 1 *13 Na 0.23809109110040 0.25000000000000 0.16561066055429 22.990 > 2 14 Na 0.73809109110040 0.25000000000000 0.16561066055429 22.990 > 2 15 Na 0.23809109110040 0.58333333333333 0.16561066055429 22.990 > 2 16 Na 0.73809109110040 0.58333333333333 0.16561066055429 22.990 > 2 17 Na 0.23809109110040 0.91666666666667 0.16561066055429 22.990 > 2 18 Na 0.73809109110040 0.91666666666667 0.16561066055429 22.990 > 2 19 Na 0.23809109110040 0.25000000000000 0.66561066055429 22.990 > 2 20 Na 0.73809109110040 0.25000000000000 0.66561066055429 22.990 > 2 21 Na 0.23809109110040 0.58333333333333 0.66561066055429 22.990 > 2 22 Na 0.73809109110040 0.58333333333333 0.66561066055429 22.990 > 2 23 Na 0.23809109110040 0.91666666666667 0.66561066055429 22.990 > 2 24 Na 0.73809109110040 0.91666666666667 0.66561066055429 22.990 > 2 25 Na 0.48809109110040 0.25000000000000 0.08438933944571 22.990 > 3 26 Na 0.98809109110040 0.25000000000000 0.08438933944571 22.990 > 3 27 Na 0.48809109110040 0.58333333333333 0.08438933944571 22.990 > 3 28 Na 0.98809109110040 0.58333333333333 0.08438933944571 22.990 > 3 29 Na 0.48809109110040 0.91666666666667 0.08438933944571 22.990 > 3 30 Na 0.98809109110040 0.91666666666667 0.08438933944571 22.990 > 3 31 Na 0.48809109110040 0.25000000000000 0.58438933944571 22.990 > 3 32 Na 0.98809109110040 0.25000000000000 0.58438933944571 22.990 > 3 33 Na 0.48809109110040 0.58333333333333 0.58438933944571 22.990 > 3 34 Na 0.98809109110040 0.58333333333333 0.58438933944571 22.990 > 3 35 Na 0.48809109110040 0.91666666666667 0.58438933944571 22.990 > 3 36 Na 0.98809109110040 0.91666666666667 0.58438933944571 22.990 > 3 37 Na 0.17706784781442 0.25000000000000 0.46418567382893 22.990 > 4 38 Na 0.67706784781442 0.25000000000000 0.46418567382893 22.990 > 4 39 Na 0.17706784781442 0.58333333333333 0.46418567382893 22.990 > 4 40 Na 0.67706784781442 0.58333333333333 0.46418567382893 22.990 > 4 41 Na 0.17706784781442 0.91666666666667 0.46418567382893 22.990 > 4 42 Na 0.67706784781442 0.91666666666667 0.46418567382893 22.990 > 4 43 Na 0.17706784781442 0.25000000000000 0.96418567382893 22.990 > 4 44 Na 0.67706784781442 0.25000000000000 0.96418567382893 22.990 > 4 45 Na 0.17706784781442 0.58333333333333 0.96418567382893 22.990 > 4 46 Na 0.67706784781442 0.58333333333333 0.96418567382893 22.990 > 4 47 Na 0.17706784781442 0.91666666666667 0.96418567382893 22.990 > 4 48 Na 0.67706784781442 0.91666666666667 0.96418567382893 22.990 > 4 49 Na 0.26190890889960 0.08333333333333 0.33438933944571 22.990 > 5 50 Na 0.76190890889960 0.08333333333333 0.33438933944571 22.990 > 5 51 Na 0.26190890889960 0.41666666666667 0.33438933944571 22.990 > 5 52 Na 0.76190890889960 0.41666666666667 0.33438933944571 22.990 > 5 53 Na 0.26190890889960 0.75000000000000 0.33438933944571 22.990 > 5 54 Na 0.76190890889960 0.75000000000000 0.33438933944571 22.990 > 5 55 Na 0.26190890889960 0.08333333333333 0.83438933944571 22.990 > 5 56 Na 0.76190890889960 0.08333333333333 0.83438933944571 22.990 > 5 57 Na 0.26190890889960 0.41666666666667 0.83438933944571 22.990 > 5 58 Na 0.76190890889960 0.41666666666667 0.83438933944571 22.990 > 5 59 Na 0.26190890889960 0.75000000000000 0.83438933944571 22.990 > 5 60 Na 0.76190890889960 0.75000000000000 0.83438933944571 22.990 > 5 61 Na 0.42706784781442 0.25000000000000 0.28581432617107 22.990 > 6 62 Na 0.92706784781442 0.25000000000000 0.28581432617107 22.990 > 6 63 Na 0.42706784781442 0.58333333333333 0.28581432617107 22.990 > 6 64 Na 0.92706784781442 0.58333333333333 0.28581432617107 22.990 > 6 65 Na 0.42706784781442 0.91666666666667 0.28581432617107 22.990 > 6 66 Na 0.92706784781442 0.91666666666667 0.28581432617107 22.990 > 6 67 Na 0.42706784781442 0.25000000000000 0.78581432617107 22.990 > 6 68 Na 0.92706784781442 0.25000000000000 0.78581432617107 22.990 > 6 69 Na 0.42706784781442 0.58333333333333 0.78581432617107 22.990 > 6 70 Na 0.92706784781442 0.58333333333333 0.78581432617107 22.990 > 6 71 Na 0.42706784781442 0.91666666666667 0.78581432617107 22.990 > 6 72 Na 0.92706784781442 0.91666666666667 0.78581432617107 22.990 > 6 73 Na 0.32293215218558 0.08333333333333 0.03581432617107 22.990 > 7 74 Na 0.82293215218558 0.08333333333333 0.03581432617107 22.990 > 7 75 Na 0.32293215218558 0.41666666666667 0.03581432617107 22.990 > 7 76 Na 0.82293215218558 0.41666666666667 0.03581432617107 22.990 > 7 77 Na 0.32293215218558 0.75000000000000 0.03581432617107 22.990 > 7 78 Na 0.82293215218558 0.75000000000000 0.03581432617107 22.990 > 7 79 Na 0.32293215218558 0.08333333333333 0.53581432617107 22.990 > 7 80 Na 0.82293215218558 0.08333333333333 0.53581432617107 22.990 > 7 81 Na 0.32293215218558 0.41666666666667 0.53581432617107 22.990 > 7 82 Na 0.82293215218558 0.41666666666667 0.53581432617107 22.990 > 7 83 Na 0.32293215218558 0.75000000000000 0.53581432617107 22.990 > 7 84 Na 0.82293215218558 0.75000000000000 0.53581432617107 22.990 > 7 85 Na 0.01190890889960 0.08333333333333 0.41561066055429 22.990 > 8 86 Na 0.51190890889960 0.08333333333333 0.41561066055429 22.990 > 8 87 Na 0.01190890889960 0.41666666666667 0.41561066055429 22.990 > 8 88 Na 0.51190890889960 0.41666666666667 0.41561066055429 22.990 > 8 89 Na 0.01190890889960 0.75000000000000 0.41561066055429 22.990 > 8 90 Na 0.51190890889960 0.75000000000000 0.41561066055429 22.990 > 8 91 Na 0.01190890889960 0.08333333333333 0.91561066055429 22.990 > 8 92 Na 0.51190890889960 0.08333333333333 0.91561066055429 22.990 > 8 93 Na 0.01190890889960 0.41666666666667 0.91561066055429 22.990 > 8 94 Na 0.51190890889960 0.41666666666667 0.91561066055429 22.990 > 8 95 Na 0.01190890889960 0.75000000000000 0.91561066055429 22.990 > 8 96 Na 0.51190890889960 0.75000000000000 0.91561066055429 22.990 > 8 *97 S 0.37658747048425 0.08333333333333 0.19284123881141 32.065 > 9 98 S 0.87658747048425 0.08333333333333 0.19284123881141 32.065 > 9 99 S 0.37658747048425 0.41666666666667 0.19284123881141 32.065 > 9 100 S 0.87658747048425 0.41666666666667 0.19284123881141 32.065 > 9 101 S 0.37658747048425 0.75000000000000 0.19284123881141 32.065 > 9 102 S 0.87658747048425 0.75000000000000 0.19284123881141 32.065 > 9 103 S 0.37658747048425 0.08333333333333 0.69284123881141 32.065 > 9 104 S 0.87658747048425 0.08333333333333 0.69284123881141 32.065 > 9 105 S 0.37658747048425 0.41666666666667 0.69284123881141 32.065 > 9 106 S 0.87658747048425 0.41666666666667 0.69284123881141 32.065 > 9 107 S 0.37658747048425 0.75000000000000 0.69284123881141 32.065 > 9 108 S 0.87658747048425 0.75000000000000 0.69284123881141 32.065 > 9 109 S 0.12658747048425 0.08333333333333 0.05715876118859 32.065 > 10 110 S 0.62658747048425 0.08333333333333 0.05715876118859 32.065 > 10 111 S 0.12658747048425 0.41666666666667 0.05715876118859 32.065 > 10 112 S 0.62658747048425 0.41666666666667 0.05715876118859 32.065 > 10 113 S 0.12658747048425 0.75000000000000 0.05715876118859 32.065 > 10 114 S 0.62658747048425 0.75000000000000 0.05715876118859 32.065 > 10 115 S 0.12658747048425 0.08333333333333 0.55715876118859 32.065 > 10 116 S 0.62658747048425 0.08333333333333 0.55715876118859 32.065 > 10 117 S 0.12658747048425 0.41666666666667 0.55715876118859 32.065 > 10 118 S 0.62658747048425 0.41666666666667 0.55715876118859 32.065 > 10 119 S 0.12658747048425 0.75000000000000 0.55715876118859 32.065 > 10 120 S 0.62658747048425 0.75000000000000 0.55715876118859 32.065 > 10 121 S 0.37341252951575 0.25000000000000 0.44284123881141 32.065 > 11 122 S 0.87341252951575 0.25000000000000 0.44284123881141 32.065 > 11 123 S 0.37341252951575 0.58333333333333 0.44284123881141 32.065 > 11 124 S 0.87341252951575 0.58333333333333 0.44284123881141 32.065 > 11 125 S 0.37341252951575 0.91666666666667 0.44284123881141 32.065 > 11 126 S 0.87341252951575 0.91666666666667 0.44284123881141 32.065 > 11 127 S 0.37341252951575 0.25000000000000 0.94284123881141 32.065 > 11 128 S 0.87341252951575 0.25000000000000 0.94284123881141 32.065 > 11 129 S 0.37341252951575 0.58333333333333 0.94284123881141 32.065 > 11 130 S 0.87341252951575 0.58333333333333 0.94284123881141 32.065 > 11 131 S 0.37341252951575 0.91666666666667 0.94284123881141 32.065 > 11 132 S 0.87341252951575 0.91666666666667 0.94284123881141 32.065 > 11 133 S 0.12341252951575 0.25000000000000 0.30715876118859 32.065 > 12 134 S 0.62341252951575 0.25000000000000 0.30715876118859 32.065 > 12 135 S 0.12341252951575 0.58333333333333 0.30715876118859 32.065 > 12 136 S 0.62341252951575 0.58333333333333 0.30715876118859 32.065 > 12 137 S 0.12341252951575 0.91666666666667 0.30715876118859 32.065 > 12 138 S 0.62341252951575 0.91666666666667 0.30715876118859 32.065 > 12 139 S 0.12341252951575 0.25000000000000 0.80715876118859 32.065 > 12 140 S 0.62341252951575 0.25000000000000 0.80715876118859 32.065 > 12 141 S 0.12341252951575 0.58333333333333 0.80715876118859 32.065 > 12 142 S 0.62341252951575 0.58333333333333 0.80715876118859 32.065 > 12 143 S 0.12341252951575 0.91666666666667 0.80715876118859 32.065 > 12 144 S 0.62341252951575 0.91666666666667 0.80715876118859 32.065 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1074684 0.0000000 0.0000000 0.0000000 4.0961996 0.0000000 0.0000000 0.0000000 4.0775416-------------------------- Born effective charges -------------------------- 1 Na 0.9585561 0.0000000 0.0250040 0.0000000 0.8956094 0.0000000 0.0194734 0.0000000 0.9637994 2 Na 1.0983200 0.0000000 0.0452209 0.0000000 1.1704826 0.0000000 0.0562387 0.0000000 1.0875720 3 Na 1.0983200 0.0000000 -0.0452209 0.0000000 1.1704826 0.0000000 -0.0562387 0.0000000 1.0875720 4 Na 0.9585561 0.0000000 -0.0250040 0.0000000 0.8956094 0.0000000 -0.0194734 0.0000000 0.9637994 5 Na 1.0983200 0.0000000 0.0452209 0.0000000 1.1704826 0.0000000 0.0562387 0.0000000 1.0875720 6 Na 0.9585561 0.0000000 0.0250040 0.0000000 0.8956094 0.0000000 0.0194734 0.0000000 0.9637994 7 Na 0.9585561 0.0000000 -0.0250040 0.0000000 0.8956094 0.0000000 -0.0194734 0.0000000 0.9637994 8 Na 1.0983200 0.0000000 -0.0452209 0.0000000 1.1704826 0.0000000 -0.0562387 0.0000000 1.0875720 9 S -2.0568760 0.0000000 0.0011094 0.0000000 -2.0660920 0.0000000 -0.0276937 0.0000000 -2.0513713 10 S -2.0568760 0.0000000 -0.0011094 0.0000000 -2.0660920 0.0000000 0.0276937 0.0000000 -2.0513713 11 S -2.0568760 0.0000000 -0.0011094 0.0000000 -2.0660920 0.0000000 0.0276937 0.0000000 -2.0513713 12 S -2.0568760 0.0000000 0.0011094 0.0000000 -2.0660920 0.0000000 -0.0276937 0.0000000 -2.0513713----------------------------------------------------------------------------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: 1080Number of blocks in projector: 1080Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 168Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 168Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 168Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 144Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 144Use standard eigh solver.Tree of FC basis block matrices:- (1080, 1065), data: False|-- (144, 144), data: True|-- (144, 144), data: True|-- (168, 165), data: True|-- (168, 165), data: True|-- (168, 165), data: True|-- (288, 282), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 240 - Time: 1.679Solver_block: 200 / 240 - Time: 1.730Solver_block: 240 / 240 - Time: 0.713Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.366--------------------------------- 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: 1080Number of blocks in projector: 1080Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 168Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 168Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 168Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 144Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 144Use standard eigh solver.Tree of FC basis block matrices:- (1080, 1065), data: False|-- (144, 144), data: True|-- (144, 144), data: True|-- (168, 165), data: True|-- (168, 165), data: True|-- (168, 165), data: True|-- (288, 282), 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 13:11:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 13:11:27]-------------------------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: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.071830019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.276711310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.332577819999999Atomic positions (fractional): 1 Na 0.14586430437116 0.25000000000000 0.42837134765786 22.990 2 Na 0.47618218220080 0.75000000000000 0.33122132110858 22.990 3 Na 0.97618218220080 0.75000000000000 0.16877867889142 22.990 4 Na 0.35413569562884 0.75000000000000 0.92837134765786 22.990 5 Na 0.52381781779920 0.25000000000000 0.66877867889141 22.990 6 Na 0.85413569562884 0.75000000000000 0.57162865234214 22.990 7 Na 0.64586430437116 0.25000000000000 0.07162865234214 22.990 8 Na 0.02381781779920 0.25000000000000 0.83122132110859 22.990 9 S 0.75317494096850 0.25000000000000 0.38568247762282 32.065 10 S 0.25317494096850 0.25000000000000 0.11431752237718 32.065 11 S 0.74682505903150 0.75000000000000 0.88568247762282 32.065 12 S 0.24682505903150 0.75000000000000 0.61431752237718 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 14.143660039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.830133929999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.665155639999998Atomic positions (fractional): 1 Na 0.07293215218558 0.08333333333333 0.21418567382893 22.990 > 1 2 Na 0.57293215218558 0.08333333333333 0.21418567382893 22.990 > 1 3 Na 0.07293215218558 0.41666666666667 0.21418567382893 22.990 > 1 4 Na 0.57293215218558 0.41666666666667 0.21418567382893 22.990 > 1 5 Na 0.07293215218558 0.75000000000000 0.21418567382893 22.990 > 1 6 Na 0.57293215218558 0.75000000000000 0.21418567382893 22.990 > 1 7 Na 0.07293215218558 0.08333333333333 0.71418567382893 22.990 > 1 8 Na 0.57293215218558 0.08333333333333 0.71418567382893 22.990 > 1 9 Na 0.07293215218558 0.41666666666667 0.71418567382893 22.990 > 1 10 Na 0.57293215218558 0.41666666666667 0.71418567382893 22.990 > 1 11 Na 0.07293215218558 0.75000000000000 0.71418567382893 22.990 > 1 12 Na 0.57293215218558 0.75000000000000 0.71418567382893 22.990 > 1 13 Na 0.23809109110040 0.25000000000000 0.16561066055429 22.990 > 13 14 Na 0.73809109110040 0.25000000000000 0.16561066055429 22.990 > 13 15 Na 0.23809109110040 0.58333333333333 0.16561066055429 22.990 > 13 16 Na 0.73809109110040 0.58333333333333 0.16561066055429 22.990 > 13 17 Na 0.23809109110040 0.91666666666667 0.16561066055429 22.990 > 13 18 Na 0.73809109110040 0.91666666666667 0.16561066055429 22.990 > 13 19 Na 0.23809109110040 0.25000000000000 0.66561066055429 22.990 > 13 20 Na 0.73809109110040 0.25000000000000 0.66561066055429 22.990 > 13 21 Na 0.23809109110040 0.58333333333333 0.66561066055429 22.990 > 13 22 Na 0.73809109110040 0.58333333333333 0.66561066055429 22.990 > 13 23 Na 0.23809109110040 0.91666666666667 0.66561066055429 22.990 > 13 24 Na 0.73809109110040 0.91666666666667 0.66561066055429 22.990 > 13 25 Na 0.48809109110040 0.25000000000000 0.08438933944571 22.990 > 25 26 Na 0.98809109110040 0.25000000000000 0.08438933944571 22.990 > 25 27 Na 0.48809109110040 0.58333333333333 0.08438933944571 22.990 > 25 28 Na 0.98809109110040 0.58333333333333 0.08438933944571 22.990 > 25 29 Na 0.48809109110040 0.91666666666667 0.08438933944571 22.990 > 25 30 Na 0.98809109110040 0.91666666666667 0.08438933944571 22.990 > 25 31 Na 0.48809109110040 0.25000000000000 0.58438933944571 22.990 > 25 32 Na 0.98809109110040 0.25000000000000 0.58438933944571 22.990 > 25 33 Na 0.48809109110040 0.58333333333333 0.58438933944571 22.990 > 25 34 Na 0.98809109110040 0.58333333333333 0.58438933944571 22.990 > 25 35 Na 0.48809109110040 0.91666666666667 0.58438933944571 22.990 > 25 36 Na 0.98809109110040 0.91666666666667 0.58438933944571 22.990 > 25 37 Na 0.17706784781442 0.25000000000000 0.46418567382893 22.990 > 37 38 Na 0.67706784781442 0.25000000000000 0.46418567382893 22.990 > 37 39 Na 0.17706784781442 0.58333333333333 0.46418567382893 22.990 > 37 40 Na 0.67706784781442 0.58333333333333 0.46418567382893 22.990 > 37 41 Na 0.17706784781442 0.91666666666667 0.46418567382893 22.990 > 37 42 Na 0.67706784781442 0.91666666666667 0.46418567382893 22.990 > 37 43 Na 0.17706784781442 0.25000000000000 0.96418567382893 22.990 > 37 44 Na 0.67706784781442 0.25000000000000 0.96418567382893 22.990 > 37 45 Na 0.17706784781442 0.58333333333333 0.96418567382893 22.990 > 37 46 Na 0.67706784781442 0.58333333333333 0.96418567382893 22.990 > 37 47 Na 0.17706784781442 0.91666666666667 0.96418567382893 22.990 > 37 48 Na 0.67706784781442 0.91666666666667 0.96418567382893 22.990 > 37 49 Na 0.26190890889960 0.08333333333333 0.33438933944571 22.990 > 49 50 Na 0.76190890889960 0.08333333333333 0.33438933944571 22.990 > 49 51 Na 0.26190890889960 0.41666666666667 0.33438933944571 22.990 > 49 52 Na 0.76190890889960 0.41666666666667 0.33438933944571 22.990 > 49 53 Na 0.26190890889960 0.75000000000000 0.33438933944571 22.990 > 49 54 Na 0.76190890889960 0.75000000000000 0.33438933944571 22.990 > 49 55 Na 0.26190890889960 0.08333333333333 0.83438933944571 22.990 > 49 56 Na 0.76190890889960 0.08333333333333 0.83438933944571 22.990 > 49 57 Na 0.26190890889960 0.41666666666667 0.83438933944571 22.990 > 49 58 Na 0.76190890889960 0.41666666666667 0.83438933944571 22.990 > 49 59 Na 0.26190890889960 0.75000000000000 0.83438933944571 22.990 > 49 60 Na 0.76190890889960 0.75000000000000 0.83438933944571 22.990 > 49 61 Na 0.42706784781442 0.25000000000000 0.28581432617107 22.990 > 61 62 Na 0.92706784781442 0.25000000000000 0.28581432617107 22.990 > 61 63 Na 0.42706784781442 0.58333333333333 0.28581432617107 22.990 > 61 64 Na 0.92706784781442 0.58333333333333 0.28581432617107 22.990 > 61 65 Na 0.42706784781442 0.91666666666667 0.28581432617107 22.990 > 61 66 Na 0.92706784781442 0.91666666666667 0.28581432617107 22.990 > 61 67 Na 0.42706784781442 0.25000000000000 0.78581432617107 22.990 > 61 68 Na 0.92706784781442 0.25000000000000 0.78581432617107 22.990 > 61 69 Na 0.42706784781442 0.58333333333333 0.78581432617107 22.990 > 61 70 Na 0.92706784781442 0.58333333333333 0.78581432617107 22.990 > 61 71 Na 0.42706784781442 0.91666666666667 0.78581432617107 22.990 > 61 72 Na 0.92706784781442 0.91666666666667 0.78581432617107 22.990 > 61 73 Na 0.32293215218558 0.08333333333333 0.03581432617107 22.990 > 73 74 Na 0.82293215218558 0.08333333333333 0.03581432617107 22.990 > 73 75 Na 0.32293215218558 0.41666666666667 0.03581432617107 22.990 > 73 76 Na 0.82293215218558 0.41666666666667 0.03581432617107 22.990 > 73 77 Na 0.32293215218558 0.75000000000000 0.03581432617107 22.990 > 73 78 Na 0.82293215218558 0.75000000000000 0.03581432617107 22.990 > 73 79 Na 0.32293215218558 0.08333333333333 0.53581432617107 22.990 > 73 80 Na 0.82293215218558 0.08333333333333 0.53581432617107 22.990 > 73 81 Na 0.32293215218558 0.41666666666667 0.53581432617107 22.990 > 73 82 Na 0.82293215218558 0.41666666666667 0.53581432617107 22.990 > 73 83 Na 0.32293215218558 0.75000000000000 0.53581432617107 22.990 > 73 84 Na 0.82293215218558 0.75000000000000 0.53581432617107 22.990 > 73 85 Na 0.01190890889960 0.08333333333333 0.41561066055429 22.990 > 85 86 Na 0.51190890889960 0.08333333333333 0.41561066055429 22.990 > 85 87 Na 0.01190890889960 0.41666666666667 0.41561066055429 22.990 > 85 88 Na 0.51190890889960 0.41666666666667 0.41561066055429 22.990 > 85 89 Na 0.01190890889960 0.75000000000000 0.41561066055429 22.990 > 85 90 Na 0.51190890889960 0.75000000000000 0.41561066055429 22.990 > 85 91 Na 0.01190890889960 0.08333333333333 0.91561066055429 22.990 > 85 92 Na 0.51190890889960 0.08333333333333 0.91561066055429 22.990 > 85 93 Na 0.01190890889960 0.41666666666667 0.91561066055429 22.990 > 85 94 Na 0.51190890889960 0.41666666666667 0.91561066055429 22.990 > 85 95 Na 0.01190890889960 0.75000000000000 0.91561066055429 22.990 > 85 96 Na 0.51190890889960 0.75000000000000 0.91561066055429 22.990 > 85 97 S 0.37658747048425 0.08333333333333 0.19284123881141 32.065 > 97 98 S 0.87658747048425 0.08333333333333 0.19284123881141 32.065 > 97 99 S 0.37658747048425 0.41666666666667 0.19284123881141 32.065 > 97 100 S 0.87658747048425 0.41666666666667 0.19284123881141 32.065 > 97 101 S 0.37658747048425 0.75000000000000 0.19284123881141 32.065 > 97 102 S 0.87658747048425 0.75000000000000 0.19284123881141 32.065 > 97 103 S 0.37658747048425 0.08333333333333 0.69284123881141 32.065 > 97 104 S 0.87658747048425 0.08333333333333 0.69284123881141 32.065 > 97 105 S 0.37658747048425 0.41666666666667 0.69284123881141 32.065 > 97 106 S 0.87658747048425 0.41666666666667 0.69284123881141 32.065 > 97 107 S 0.37658747048425 0.75000000000000 0.69284123881141 32.065 > 97 108 S 0.87658747048425 0.75000000000000 0.69284123881141 32.065 > 97 109 S 0.12658747048425 0.08333333333333 0.05715876118859 32.065 > 109 110 S 0.62658747048425 0.08333333333333 0.05715876118859 32.065 > 109 111 S 0.12658747048425 0.41666666666667 0.05715876118859 32.065 > 109 112 S 0.62658747048425 0.41666666666667 0.05715876118859 32.065 > 109 113 S 0.12658747048425 0.75000000000000 0.05715876118859 32.065 > 109 114 S 0.62658747048425 0.75000000000000 0.05715876118859 32.065 > 109 115 S 0.12658747048425 0.08333333333333 0.55715876118859 32.065 > 109 116 S 0.62658747048425 0.08333333333333 0.55715876118859 32.065 > 109 117 S 0.12658747048425 0.41666666666667 0.55715876118859 32.065 > 109 118 S 0.62658747048425 0.41666666666667 0.55715876118859 32.065 > 109 119 S 0.12658747048425 0.75000000000000 0.55715876118859 32.065 > 109 120 S 0.62658747048425 0.75000000000000 0.55715876118859 32.065 > 109 121 S 0.37341252951575 0.25000000000000 0.44284123881141 32.065 > 121 122 S 0.87341252951575 0.25000000000000 0.44284123881141 32.065 > 121 123 S 0.37341252951575 0.58333333333333 0.44284123881141 32.065 > 121 124 S 0.87341252951575 0.58333333333333 0.44284123881141 32.065 > 121 125 S 0.37341252951575 0.91666666666667 0.44284123881141 32.065 > 121 126 S 0.87341252951575 0.91666666666667 0.44284123881141 32.065 > 121 127 S 0.37341252951575 0.25000000000000 0.94284123881141 32.065 > 121 128 S 0.87341252951575 0.25000000000000 0.94284123881141 32.065 > 121 129 S 0.37341252951575 0.58333333333333 0.94284123881141 32.065 > 121 130 S 0.87341252951575 0.58333333333333 0.94284123881141 32.065 > 121 131 S 0.37341252951575 0.91666666666667 0.94284123881141 32.065 > 121 132 S 0.87341252951575 0.91666666666667 0.94284123881141 32.065 > 121 133 S 0.12341252951575 0.25000000000000 0.30715876118859 32.065 > 133 134 S 0.62341252951575 0.25000000000000 0.30715876118859 32.065 > 133 135 S 0.12341252951575 0.58333333333333 0.30715876118859 32.065 > 133 136 S 0.62341252951575 0.58333333333333 0.30715876118859 32.065 > 133 137 S 0.12341252951575 0.91666666666667 0.30715876118859 32.065 > 133 138 S 0.62341252951575 0.91666666666667 0.30715876118859 32.065 > 133 139 S 0.12341252951575 0.25000000000000 0.80715876118859 32.065 > 133 140 S 0.62341252951575 0.25000000000000 0.80715876118859 32.065 > 133 141 S 0.12341252951575 0.58333333333333 0.80715876118859 32.065 > 133 142 S 0.62341252951575 0.58333333333333 0.80715876118859 32.065 > 133 143 S 0.12341252951575 0.91666666666667 0.80715876118859 32.065 > 133 144 S 0.62341252951575 0.91666666666667 0.80715876118859 32.065 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1074684 0.0000000 0.0000000 0.0000000 4.0961996 0.0000000 0.0000000 0.0000000 4.0775416-------------------------- Born effective charges -------------------------- 1 Na 0.9585561 0.0000000 0.0250040 0.0000000 0.8956094 0.0000000 0.0194734 0.0000000 0.9637994 2 Na 1.0983200 0.0000000 0.0452209 0.0000000 1.1704826 0.0000000 0.0562387 0.0000000 1.0875720 3 Na 1.0983200 0.0000000 -0.0452209 0.0000000 1.1704826 0.0000000 -0.0562387 0.0000000 1.0875720 4 Na 0.9585561 0.0000000 -0.0250040 0.0000000 0.8956094 0.0000000 -0.0194734 0.0000000 0.9637994 5 Na 1.0983200 0.0000000 0.0452209 0.0000000 1.1704826 0.0000000 0.0562387 0.0000000 1.0875720 6 Na 0.9585561 0.0000000 0.0250040 0.0000000 0.8956094 0.0000000 0.0194734 0.0000000 0.9637994 7 Na 0.9585561 0.0000000 -0.0250040 0.0000000 0.8956094 0.0000000 -0.0194734 0.0000000 0.9637994 8 Na 1.0983200 0.0000000 -0.0452209 0.0000000 1.1704826 0.0000000 -0.0562387 0.0000000 1.0875720 9 S -2.0568760 0.0000000 0.0011094 0.0000000 -2.0660920 0.0000000 -0.0276937 0.0000000 -2.0513713 10 S -2.0568760 0.0000000 -0.0011094 0.0000000 -2.0660920 0.0000000 0.0276937 0.0000000 -2.0513713 11 S -2.0568760 0.0000000 -0.0011094 0.0000000 -2.0660920 0.0000000 0.0276937 0.0000000 -2.0513713 12 S -2.0568760 0.0000000 0.0011094 0.0000000 -2.0660920 0.0000000 -0.0276937 0.0000000 -2.0513713----------------------------------------------------------------------------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[ 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]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx)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 13:11:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 13:11:45]-------------------------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: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.071830019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.276711310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.332577819999999Atomic positions (fractional): 1 Na 0.14586430437116 0.25000000000000 0.42837134765786 22.990 2 Na 0.47618218220080 0.75000000000000 0.33122132110858 22.990 3 Na 0.97618218220080 0.75000000000000 0.16877867889142 22.990 4 Na 0.35413569562884 0.75000000000000 0.92837134765786 22.990 5 Na 0.52381781779920 0.25000000000000 0.66877867889141 22.990 6 Na 0.85413569562884 0.75000000000000 0.57162865234214 22.990 7 Na 0.64586430437116 0.25000000000000 0.07162865234214 22.990 8 Na 0.02381781779920 0.25000000000000 0.83122132110859 22.990 9 S 0.75317494096850 0.25000000000000 0.38568247762282 32.065 10 S 0.25317494096850 0.25000000000000 0.11431752237718 32.065 11 S 0.74682505903150 0.75000000000000 0.88568247762282 32.065 12 S 0.24682505903150 0.75000000000000 0.61431752237718 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 14.143660039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.830133929999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.665155639999998Atomic positions (fractional): 1 Na 0.07293215218558 0.08333333333333 0.21418567382893 22.990 > 1 2 Na 0.57293215218558 0.08333333333333 0.21418567382893 22.990 > 1 3 Na 0.07293215218558 0.41666666666667 0.21418567382893 22.990 > 1 4 Na 0.57293215218558 0.41666666666667 0.21418567382893 22.990 > 1 5 Na 0.07293215218558 0.75000000000000 0.21418567382893 22.990 > 1 6 Na 0.57293215218558 0.75000000000000 0.21418567382893 22.990 > 1 7 Na 0.07293215218558 0.08333333333333 0.71418567382893 22.990 > 1 8 Na 0.57293215218558 0.08333333333333 0.71418567382893 22.990 > 1 9 Na 0.07293215218558 0.41666666666667 0.71418567382893 22.990 > 1 10 Na 0.57293215218558 0.41666666666667 0.71418567382893 22.990 > 1 11 Na 0.07293215218558 0.75000000000000 0.71418567382893 22.990 > 1 12 Na 0.57293215218558 0.75000000000000 0.71418567382893 22.990 > 1 13 Na 0.23809109110040 0.25000000000000 0.16561066055429 22.990 > 13 14 Na 0.73809109110040 0.25000000000000 0.16561066055429 22.990 > 13 15 Na 0.23809109110040 0.58333333333333 0.16561066055429 22.990 > 13 16 Na 0.73809109110040 0.58333333333333 0.16561066055429 22.990 > 13 17 Na 0.23809109110040 0.91666666666667 0.16561066055429 22.990 > 13 18 Na 0.73809109110040 0.91666666666667 0.16561066055429 22.990 > 13 19 Na 0.23809109110040 0.25000000000000 0.66561066055429 22.990 > 13 20 Na 0.73809109110040 0.25000000000000 0.66561066055429 22.990 > 13 21 Na 0.23809109110040 0.58333333333333 0.66561066055429 22.990 > 13 22 Na 0.73809109110040 0.58333333333333 0.66561066055429 22.990 > 13 23 Na 0.23809109110040 0.91666666666667 0.66561066055429 22.990 > 13 24 Na 0.73809109110040 0.91666666666667 0.66561066055429 22.990 > 13 25 Na 0.48809109110040 0.25000000000000 0.08438933944571 22.990 > 25 26 Na 0.98809109110040 0.25000000000000 0.08438933944571 22.990 > 25 27 Na 0.48809109110040 0.58333333333333 0.08438933944571 22.990 > 25 28 Na 0.98809109110040 0.58333333333333 0.08438933944571 22.990 > 25 29 Na 0.48809109110040 0.91666666666667 0.08438933944571 22.990 > 25 30 Na 0.98809109110040 0.91666666666667 0.08438933944571 22.990 > 25 31 Na 0.48809109110040 0.25000000000000 0.58438933944571 22.990 > 25 32 Na 0.98809109110040 0.25000000000000 0.58438933944571 22.990 > 25 33 Na 0.48809109110040 0.58333333333333 0.58438933944571 22.990 > 25 34 Na 0.98809109110040 0.58333333333333 0.58438933944571 22.990 > 25 35 Na 0.48809109110040 0.91666666666667 0.58438933944571 22.990 > 25 36 Na 0.98809109110040 0.91666666666667 0.58438933944571 22.990 > 25 37 Na 0.17706784781442 0.25000000000000 0.46418567382893 22.990 > 37 38 Na 0.67706784781442 0.25000000000000 0.46418567382893 22.990 > 37 39 Na 0.17706784781442 0.58333333333333 0.46418567382893 22.990 > 37 40 Na 0.67706784781442 0.58333333333333 0.46418567382893 22.990 > 37 41 Na 0.17706784781442 0.91666666666667 0.46418567382893 22.990 > 37 42 Na 0.67706784781442 0.91666666666667 0.46418567382893 22.990 > 37 43 Na 0.17706784781442 0.25000000000000 0.96418567382893 22.990 > 37 44 Na 0.67706784781442 0.25000000000000 0.96418567382893 22.990 > 37 45 Na 0.17706784781442 0.58333333333333 0.96418567382893 22.990 > 37 46 Na 0.67706784781442 0.58333333333333 0.96418567382893 22.990 > 37 47 Na 0.17706784781442 0.91666666666667 0.96418567382893 22.990 > 37 48 Na 0.67706784781442 0.91666666666667 0.96418567382893 22.990 > 37 49 Na 0.26190890889960 0.08333333333333 0.33438933944571 22.990 > 49 50 Na 0.76190890889960 0.08333333333333 0.33438933944571 22.990 > 49 51 Na 0.26190890889960 0.41666666666667 0.33438933944571 22.990 > 49 52 Na 0.76190890889960 0.41666666666667 0.33438933944571 22.990 > 49 53 Na 0.26190890889960 0.75000000000000 0.33438933944571 22.990 > 49 54 Na 0.76190890889960 0.75000000000000 0.33438933944571 22.990 > 49 55 Na 0.26190890889960 0.08333333333333 0.83438933944571 22.990 > 49 56 Na 0.76190890889960 0.08333333333333 0.83438933944571 22.990 > 49 57 Na 0.26190890889960 0.41666666666667 0.83438933944571 22.990 > 49 58 Na 0.76190890889960 0.41666666666667 0.83438933944571 22.990 > 49 59 Na 0.26190890889960 0.75000000000000 0.83438933944571 22.990 > 49 60 Na 0.76190890889960 0.75000000000000 0.83438933944571 22.990 > 49 61 Na 0.42706784781442 0.25000000000000 0.28581432617107 22.990 > 61 62 Na 0.92706784781442 0.25000000000000 0.28581432617107 22.990 > 61 63 Na 0.42706784781442 0.58333333333333 0.28581432617107 22.990 > 61 64 Na 0.92706784781442 0.58333333333333 0.28581432617107 22.990 > 61 65 Na 0.42706784781442 0.91666666666667 0.28581432617107 22.990 > 61 66 Na 0.92706784781442 0.91666666666667 0.28581432617107 22.990 > 61 67 Na 0.42706784781442 0.25000000000000 0.78581432617107 22.990 > 61 68 Na 0.92706784781442 0.25000000000000 0.78581432617107 22.990 > 61 69 Na 0.42706784781442 0.58333333333333 0.78581432617107 22.990 > 61 70 Na 0.92706784781442 0.58333333333333 0.78581432617107 22.990 > 61 71 Na 0.42706784781442 0.91666666666667 0.78581432617107 22.990 > 61 72 Na 0.92706784781442 0.91666666666667 0.78581432617107 22.990 > 61 73 Na 0.32293215218558 0.08333333333333 0.03581432617107 22.990 > 73 74 Na 0.82293215218558 0.08333333333333 0.03581432617107 22.990 > 73 75 Na 0.32293215218558 0.41666666666667 0.03581432617107 22.990 > 73 76 Na 0.82293215218558 0.41666666666667 0.03581432617107 22.990 > 73 77 Na 0.32293215218558 0.75000000000000 0.03581432617107 22.990 > 73 78 Na 0.82293215218558 0.75000000000000 0.03581432617107 22.990 > 73 79 Na 0.32293215218558 0.08333333333333 0.53581432617107 22.990 > 73 80 Na 0.82293215218558 0.08333333333333 0.53581432617107 22.990 > 73 81 Na 0.32293215218558 0.41666666666667 0.53581432617107 22.990 > 73 82 Na 0.82293215218558 0.41666666666667 0.53581432617107 22.990 > 73 83 Na 0.32293215218558 0.75000000000000 0.53581432617107 22.990 > 73 84 Na 0.82293215218558 0.75000000000000 0.53581432617107 22.990 > 73 85 Na 0.01190890889960 0.08333333333333 0.41561066055429 22.990 > 85 86 Na 0.51190890889960 0.08333333333333 0.41561066055429 22.990 > 85 87 Na 0.01190890889960 0.41666666666667 0.41561066055429 22.990 > 85 88 Na 0.51190890889960 0.41666666666667 0.41561066055429 22.990 > 85 89 Na 0.01190890889960 0.75000000000000 0.41561066055429 22.990 > 85 90 Na 0.51190890889960 0.75000000000000 0.41561066055429 22.990 > 85 91 Na 0.01190890889960 0.08333333333333 0.91561066055429 22.990 > 85 92 Na 0.51190890889960 0.08333333333333 0.91561066055429 22.990 > 85 93 Na 0.01190890889960 0.41666666666667 0.91561066055429 22.990 > 85 94 Na 0.51190890889960 0.41666666666667 0.91561066055429 22.990 > 85 95 Na 0.01190890889960 0.75000000000000 0.91561066055429 22.990 > 85 96 Na 0.51190890889960 0.75000000000000 0.91561066055429 22.990 > 85 97 S 0.37658747048425 0.08333333333333 0.19284123881141 32.065 > 97 98 S 0.87658747048425 0.08333333333333 0.19284123881141 32.065 > 97 99 S 0.37658747048425 0.41666666666667 0.19284123881141 32.065 > 97 100 S 0.87658747048425 0.41666666666667 0.19284123881141 32.065 > 97 101 S 0.37658747048425 0.75000000000000 0.19284123881141 32.065 > 97 102 S 0.87658747048425 0.75000000000000 0.19284123881141 32.065 > 97 103 S 0.37658747048425 0.08333333333333 0.69284123881141 32.065 > 97 104 S 0.87658747048425 0.08333333333333 0.69284123881141 32.065 > 97 105 S 0.37658747048425 0.41666666666667 0.69284123881141 32.065 > 97 106 S 0.87658747048425 0.41666666666667 0.69284123881141 32.065 > 97 107 S 0.37658747048425 0.75000000000000 0.69284123881141 32.065 > 97 108 S 0.87658747048425 0.75000000000000 0.69284123881141 32.065 > 97 109 S 0.12658747048425 0.08333333333333 0.05715876118859 32.065 > 109 110 S 0.62658747048425 0.08333333333333 0.05715876118859 32.065 > 109 111 S 0.12658747048425 0.41666666666667 0.05715876118859 32.065 > 109 112 S 0.62658747048425 0.41666666666667 0.05715876118859 32.065 > 109 113 S 0.12658747048425 0.75000000000000 0.05715876118859 32.065 > 109 114 S 0.62658747048425 0.75000000000000 0.05715876118859 32.065 > 109 115 S 0.12658747048425 0.08333333333333 0.55715876118859 32.065 > 109 116 S 0.62658747048425 0.08333333333333 0.55715876118859 32.065 > 109 117 S 0.12658747048425 0.41666666666667 0.55715876118859 32.065 > 109 118 S 0.62658747048425 0.41666666666667 0.55715876118859 32.065 > 109 119 S 0.12658747048425 0.75000000000000 0.55715876118859 32.065 > 109 120 S 0.62658747048425 0.75000000000000 0.55715876118859 32.065 > 109 121 S 0.37341252951575 0.25000000000000 0.44284123881141 32.065 > 121 122 S 0.87341252951575 0.25000000000000 0.44284123881141 32.065 > 121 123 S 0.37341252951575 0.58333333333333 0.44284123881141 32.065 > 121 124 S 0.87341252951575 0.58333333333333 0.44284123881141 32.065 > 121 125 S 0.37341252951575 0.91666666666667 0.44284123881141 32.065 > 121 126 S 0.87341252951575 0.91666666666667 0.44284123881141 32.065 > 121 127 S 0.37341252951575 0.25000000000000 0.94284123881141 32.065 > 121 128 S 0.87341252951575 0.25000000000000 0.94284123881141 32.065 > 121 129 S 0.37341252951575 0.58333333333333 0.94284123881141 32.065 > 121 130 S 0.87341252951575 0.58333333333333 0.94284123881141 32.065 > 121 131 S 0.37341252951575 0.91666666666667 0.94284123881141 32.065 > 121 132 S 0.87341252951575 0.91666666666667 0.94284123881141 32.065 > 121 133 S 0.12341252951575 0.25000000000000 0.30715876118859 32.065 > 133 134 S 0.62341252951575 0.25000000000000 0.30715876118859 32.065 > 133 135 S 0.12341252951575 0.58333333333333 0.30715876118859 32.065 > 133 136 S 0.62341252951575 0.58333333333333 0.30715876118859 32.065 > 133 137 S 0.12341252951575 0.91666666666667 0.30715876118859 32.065 > 133 138 S 0.62341252951575 0.91666666666667 0.30715876118859 32.065 > 133 139 S 0.12341252951575 0.25000000000000 0.80715876118859 32.065 > 133 140 S 0.62341252951575 0.25000000000000 0.80715876118859 32.065 > 133 141 S 0.12341252951575 0.58333333333333 0.80715876118859 32.065 > 133 142 S 0.62341252951575 0.58333333333333 0.80715876118859 32.065 > 133 143 S 0.12341252951575 0.91666666666667 0.80715876118859 32.065 > 133 144 S 0.62341252951575 0.91666666666667 0.80715876118859 32.065 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.1074684 0.0000000 0.0000000 0.0000000 4.0961996 0.0000000 0.0000000 0.0000000 4.0775416-------------------------- Born effective charges -------------------------- 1 Na 0.9585561 0.0000000 0.0250040 0.0000000 0.8956094 0.0000000 0.0194734 0.0000000 0.9637994 2 Na 1.0983200 0.0000000 0.0452209 0.0000000 1.1704826 0.0000000 0.0562387 0.0000000 1.0875720 3 Na 1.0983200 0.0000000 -0.0452209 0.0000000 1.1704826 0.0000000 -0.0562387 0.0000000 1.0875720 4 Na 0.9585561 0.0000000 -0.0250040 0.0000000 0.8956094 0.0000000 -0.0194734 0.0000000 0.9637994 5 Na 1.0983200 0.0000000 0.0452209 0.0000000 1.1704826 0.0000000 0.0562387 0.0000000 1.0875720 6 Na 0.9585561 0.0000000 0.0250040 0.0000000 0.8956094 0.0000000 0.0194734 0.0000000 0.9637994 7 Na 0.9585561 0.0000000 -0.0250040 0.0000000 0.8956094 0.0000000 -0.0194734 0.0000000 0.9637994 8 Na 1.0983200 0.0000000 -0.0452209 0.0000000 1.1704826 0.0000000 -0.0562387 0.0000000 1.0875720 9 S -2.0568760 0.0000000 0.0011094 0.0000000 -2.0660920 0.0000000 -0.0276937 0.0000000 -2.0513713 10 S -2.0568760 0.0000000 -0.0011094 0.0000000 -2.0660920 0.0000000 0.0276937 0.0000000 -2.0513713 11 S -2.0568760 0.0000000 -0.0011094 0.0000000 -2.0660920 0.0000000 0.0276937 0.0000000 -2.0513713 12 S -2.0568760 0.0000000 0.0011094 0.0000000 -2.0660920 0.0000000 -0.0276937 0.0000000 -2.0513713----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx)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 ... [ 7 12 6 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 303, Lambda: 0.14Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/112) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.783 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.321 ( 0.000 0.000 0.000) 0.000 6.370 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 6.460 ( 0.000 0.000 0.000) 0.000 6.585 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.583 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/112) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.579 ( 28.446 0.000 0.000) 28.446 0.616 ( 29.676 0.000 0.000) 29.676 0.994 ( 48.408 0.000 0.000) 48.408 1.893 ( 10.231 0.000 0.000) 10.231 2.659 ( -2.260 0.000 0.000) 2.260 2.685 ( -13.736 0.000 0.000) 13.736 2.959 ( -9.412 0.000 0.000) 9.412 3.155 ( 7.453 0.000 0.000) 7.453 3.299 ( -2.895 0.000 0.000) 2.895 3.657 ( -3.059 0.000 0.000) 3.059 3.760 ( -2.924 0.000 0.000) 2.924 3.930 ( -8.986 0.000 0.000) 8.986 4.004 ( -2.086 0.000 0.000) 2.086 4.104 ( 3.904 0.000 0.000) 3.904 4.173 ( 5.680 0.000 0.000) 5.680 4.279 ( 5.217 0.000 0.000) 5.217 4.432 ( -13.796 0.000 0.000) 13.796 4.542 ( -21.241 0.000 0.000) 21.241 4.960 ( -19.326 0.000 0.000) 19.326 5.131 ( 6.432 0.000 0.000) 6.432 5.343 ( 11.318 0.000 0.000) 11.318 5.736 ( 9.180 0.000 0.000) 9.180 5.748 ( -16.738 0.000 0.000) 16.738 6.062 ( -2.068 0.000 0.000) 2.068 6.274 ( 1.611 0.000 0.000) 1.611 6.369 ( 10.477 0.000 0.000) 10.477 6.390 ( 1.882 0.000 0.000) 1.882 6.470 ( 0.947 0.000 0.000) 0.947 6.732 ( -0.543 0.000 0.000) 0.543 6.834 ( -1.528 0.000 0.000) 1.528 6.929 ( 16.812 0.000 0.000) 16.812 7.266 ( -3.520 0.000 0.000) 3.520 7.474 ( 1.325 0.000 0.000) 1.325 7.536 ( -0.336 0.000 0.000) 0.336 7.610 ( 1.968 0.000 0.000) 1.968 8.317 ( -2.581 0.000 0.000) 2.581======================= Grid point 2 (3/112) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 27.270 0.000 0.000) 27.270 1.183 ( 26.020 0.000 0.000) 26.020 1.928 ( 42.735 0.000 0.000) 42.735 2.140 ( 11.502 0.000 0.000) 11.502 2.381 ( -15.887 0.000 0.000) 15.887 2.629 ( 0.128 0.000 0.000) 0.128 2.715 ( -12.371 0.000 0.000) 12.371 3.195 ( -7.911 0.000 0.000) 7.911 3.297 ( 6.512 0.000 0.000) 6.512 3.609 ( -1.464 0.000 0.000) 1.464 3.674 ( -4.972 0.000 0.000) 4.972 3.754 ( -7.638 0.000 0.000) 7.638 3.919 ( -7.202 0.000 0.000) 7.202 4.086 ( -10.605 0.000 0.000) 10.605 4.154 ( -12.206 0.000 0.000) 12.206 4.282 ( 2.164 0.000 0.000) 2.164 4.288 ( 5.120 0.000 0.000) 5.120 4.362 ( 2.879 0.000 0.000) 2.879 4.560 ( -20.000 0.000 0.000) 20.000 5.028 ( -21.166 0.000 0.000) 21.166 5.463 ( -0.555 0.000 0.000) 0.555 5.496 ( 4.263 0.000 0.000) 4.263 5.944 ( 7.562 0.000 0.000) 7.562 6.057 ( 1.014 0.000 0.000) 1.014 6.427 ( 10.797 0.000 0.000) 10.797 6.440 ( 2.901 0.000 0.000) 2.901 6.494 ( 1.280 0.000 0.000) 1.280 6.585 ( 10.038 0.000 0.000) 10.038 6.718 ( -0.684 0.000 0.000) 0.684 6.791 ( -2.557 0.000 0.000) 2.557 7.123 ( 1.773 0.000 0.000) 1.773 7.168 ( -5.893 0.000 0.000) 5.893 7.509 ( 2.079 0.000 0.000) 2.079 7.572 ( 2.355 0.000 0.000) 2.355 7.689 ( 7.799 0.000 0.000) 7.799 8.238 ( -5.306 0.000 0.000) 5.306======================= Grid point 3 (4/112) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( 21.005 0.000 0.000) 21.005 1.673 ( 24.744 0.000 0.000) 24.744 2.042 ( -17.464 0.000 0.000) 17.464 2.111 ( -16.395 0.000 0.000) 16.395 2.603 ( 18.139 0.000 0.000) 18.139 2.675 ( 3.541 0.000 0.000) 3.541 2.691 ( 11.605 0.000 0.000) 11.605 2.973 ( -13.631 0.000 0.000) 13.631 3.428 ( 9.696 0.000 0.000) 9.696 3.600 ( 0.636 0.000 0.000) 0.636 3.641 ( -3.597 0.000 0.000) 3.597 3.684 ( 9.818 0.000 0.000) 9.818 3.701 ( -13.401 0.000 0.000) 13.401 3.942 ( -1.978 0.000 0.000) 1.978 3.977 ( -5.844 0.000 0.000) 5.844 4.096 ( -25.752 0.000 0.000) 25.752 4.368 ( 2.647 0.000 0.000) 2.647 4.393 ( 0.151 0.000 0.000) 0.151 4.402 ( 7.765 0.000 0.000) 7.765 4.615 ( -14.945 0.000 0.000) 14.945 5.513 ( 2.551 0.000 0.000) 2.551 5.538 ( 0.208 0.000 0.000) 0.208 6.049 ( 3.023 0.000 0.000) 3.023 6.075 ( 0.158 0.000 0.000) 0.158 6.494 ( 2.056 0.000 0.000) 2.056 6.512 ( 0.266 0.000 0.000) 0.266 6.646 ( 9.486 0.000 0.000) 9.486 6.712 ( 0.347 0.000 0.000) 0.347 6.732 ( 2.685 0.000 0.000) 2.685 6.739 ( -2.252 0.000 0.000) 2.252 7.057 ( -3.451 0.000 0.000) 3.451 7.078 ( -3.877 0.000 0.000) 3.877 7.553 ( 2.072 0.000 0.000) 2.072 7.584 ( -0.770 0.000 0.000) 0.770 7.901 ( 11.113 0.000 0.000) 11.113 8.101 ( -8.376 0.000 0.000) 8.376======================= Grid point 7 (5/112) =======================q-point: ( 0.00 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.345 ( 0.000 21.731 0.000) 21.731 0.555 ( 0.000 28.299 0.000) 28.299 0.948 ( 0.000 47.562 0.000) 47.562 1.928 ( 0.000 13.494 0.000) 13.494 2.679 ( 0.000 -1.778 0.000) 1.778 2.683 ( 0.000 -0.220 0.000) 0.220 2.928 ( 0.000 5.124 0.000) 5.124 3.239 ( 0.000 16.828 0.000) 16.828 3.357 ( 0.000 1.967 0.000) 1.967 3.600 ( 0.000 -8.530 0.000) 8.530 3.761 ( 0.000 -2.882 0.000) 2.882 4.064 ( 0.000 0.537 0.000) 0.537 4.113 ( 0.000 1.152 0.000) 1.152 4.121 ( 0.000 8.110 0.000) 8.110 4.309 ( 0.000 11.942 0.000) 11.942 4.590 ( 0.000 -2.646 0.000) 2.646 4.760 ( 0.000 -1.089 0.000) 1.089 4.918 ( 0.000 -6.887 0.000) 6.887 4.963 ( 0.000 -3.583 0.000) 3.583 5.087 ( 0.000 -2.441 0.000) 2.441 5.288 ( 0.000 0.538 0.000) 0.538 5.357 ( 0.000 4.449 0.000) 4.449 5.502 ( 0.000 0.312 0.000) 0.312 5.917 ( 0.000 -2.594 0.000) 2.594 6.117 ( 0.000 -0.629 0.000) 0.629 6.281 ( 0.000 -3.970 0.000) 3.970 6.326 ( 0.000 -16.391 0.000) 16.391 6.404 ( 0.000 -3.498 0.000) 3.498 6.478 ( 0.000 9.827 0.000) 9.827 6.860 ( 0.000 0.957 0.000) 0.957 6.964 ( 0.000 13.167 0.000) 13.167 7.458 ( 0.000 -0.087 0.000) 0.087 7.537 ( 0.000 -4.548 0.000) 4.548 7.542 ( 0.000 -1.259 0.000) 1.259 7.586 ( 0.000 -3.072 0.000) 3.072 8.480 ( 0.000 -1.977 0.000) 1.977======================= Grid point 8 (6/112) =======================q-point: ( 0.14 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.703 ( 25.653 10.449 0.000) 27.699 0.785 ( 19.557 18.103 0.000) 26.649 1.363 ( 34.089 31.771 0.000) 46.599 2.017 ( 7.920 11.112 0.000) 13.645 2.534 ( -9.851 -6.028 0.000) 11.549 2.660 ( -1.716 0.387 0.000) 1.759 3.085 ( 7.871 -0.506 0.000) 7.887 3.109 ( -11.143 12.966 0.000) 17.096 3.348 ( -1.121 1.788 0.000) 2.110 3.621 ( 1.063 -2.592 0.000) 2.802 3.708 ( -3.982 -2.639 0.000) 4.777 3.983 ( -7.838 1.435 0.000) 7.968 4.021 ( -4.535 1.405 0.000) 4.748 4.210 ( 2.198 2.977 0.000) 3.701 4.272 ( -0.574 12.340 0.000) 12.353 4.435 ( -9.968 1.156 0.000) 10.035 4.475 ( -13.418 3.623 0.000) 13.898 4.656 ( -13.114 17.140 0.000) 21.581 4.938 ( -11.100 -3.997 0.000) 11.798 5.086 ( -0.828 -1.891 0.000) 2.064 5.308 ( 10.939 -4.422 0.000) 11.799 5.716 ( -12.062 -2.560 0.000) 12.331 5.741 ( 4.282 -0.129 0.000) 4.284 5.756 ( 11.764 -19.503 0.000) 22.776 6.179 ( 2.495 -8.708 0.000) 9.058 6.251 ( 10.745 -5.993 0.000) 12.303 6.374 ( 8.172 -3.601 0.000) 8.931 6.492 ( 1.641 8.789 0.000) 8.941 6.634 ( 7.679 -6.467 0.000) 10.039 6.845 ( -1.449 1.372 0.000) 1.995 7.047 ( 6.679 8.108 0.000) 10.505 7.412 ( -5.875 2.629 0.000) 6.437 7.511 ( 0.744 -2.347 0.000) 2.462 7.523 ( -1.854 2.734 0.000) 3.303 7.589 ( 2.312 -1.987 0.000) 3.048 8.344 ( -7.627 1.045 0.000) 7.698======================= Grid point 9 (7/112) =======================q-point: ( 0.29 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 24.573 5.364 0.000) 25.151 1.236 ( 23.633 8.394 0.000) 25.079 2.117 ( 37.354 17.550 0.000) 41.272 2.175 ( 4.791 1.897 0.000) 5.153 2.306 ( -12.655 -4.074 0.000) 13.295 2.659 ( 3.129 4.575 0.000) 5.542 2.862 ( -11.242 12.322 0.000) 16.680 3.146 ( -3.907 -1.620 0.000) 4.229 3.341 ( 2.370 1.926 0.000) 3.054 3.626 ( -0.472 1.722 0.000) 1.785 3.641 ( -1.717 -2.480 0.000) 3.016 3.811 ( -7.422 4.558 0.000) 8.710 3.919 ( -6.031 -0.293 0.000) 6.038 4.069 ( -12.469 -5.376 0.000) 13.579 4.132 ( -16.168 2.333 0.000) 16.336 4.327 ( 4.404 7.137 0.000) 8.386 4.384 ( 1.698 8.122 0.000) 8.297 4.562 ( -0.928 16.562 0.000) 16.588 4.621 ( -15.792 5.225 0.000) 16.634 5.002 ( -17.027 -2.467 0.000) 17.204 5.384 ( -4.352 -6.565 0.000) 7.877 5.437 ( 2.619 -6.552 0.000) 7.056 5.903 ( 5.556 -11.248 0.000) 12.546 5.938 ( 7.043 -0.651 0.000) 7.073 6.312 ( 7.753 -9.387 0.000) 12.175 6.409 ( 4.654 -7.534 0.000) 8.856 6.546 ( 3.977 8.236 0.000) 9.145 6.569 ( 9.803 -2.606 0.000) 10.143 6.726 ( 2.897 -0.050 0.000) 2.897 6.805 ( -2.418 2.417 0.000) 3.419 7.118 ( -0.610 -0.594 0.000) 0.851 7.265 ( -7.642 5.914 0.000) 9.663 7.526 ( 1.260 1.164 0.000) 1.716 7.579 ( 2.673 0.676 0.000) 2.757 7.667 ( 8.095 -2.026 0.000) 8.345 8.212 ( -6.242 -2.064 0.000) 6.575======================= Grid point 10 (8/112) =======================q-point: ( 0.43 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( 19.171 1.850 0.000) 19.261 1.701 ( 21.289 1.204 0.000) 21.323 2.028 ( -14.474 0.969 0.000) 14.506 2.092 ( -13.175 -2.141 0.000) 13.347 2.714 ( 15.647 10.654 0.000) 18.930 2.745 ( 2.370 8.542 0.000) 8.865 2.809 ( 7.981 8.848 0.000) 11.916 2.972 ( -9.982 -0.015 0.000) 9.982 3.432 ( 7.421 0.228 0.000) 7.424 3.593 ( -4.147 -0.246 0.000) 4.154 3.704 ( 3.040 5.608 0.000) 6.379 3.740 ( 7.632 5.072 0.000) 9.164 3.761 ( -7.650 5.300 0.000) 9.307 3.884 ( -4.626 -7.292 0.000) 8.636 3.898 ( -5.893 -2.597 0.000) 6.440 4.155 ( -24.342 6.210 0.000) 25.122 4.430 ( 5.281 5.753 0.000) 7.810 4.479 ( 0.601 9.399 0.000) 9.418 4.552 ( 0.062 11.915 0.000) 11.916 4.650 ( -11.738 3.682 0.000) 12.302 5.408 ( 2.660 -9.489 0.000) 9.854 5.448 ( -0.992 -8.761 0.000) 8.817 5.995 ( 3.217 -6.061 0.000) 6.861 6.019 ( 1.137 -2.534 0.000) 2.777 6.429 ( 3.422 -8.725 0.000) 9.372 6.458 ( 0.429 -6.889 0.000) 6.902 6.646 ( 5.035 3.771 0.000) 6.290 6.710 ( 1.066 -2.612 0.000) 2.821 6.769 ( 1.077 4.150 0.000) 4.287 6.779 ( 2.046 3.625 0.000) 4.163 7.077 ( -1.528 -0.027 0.000) 1.528 7.121 ( -5.814 4.949 0.000) 7.635 7.559 ( 1.749 0.321 0.000) 1.779 7.588 ( -0.856 0.141 0.000) 0.867 7.878 ( 10.696 -1.969 0.000) 10.876 8.070 ( -8.161 -2.648 0.000) 8.580======================= Grid point 14 (9/112) =======================q-point: ( 0.00 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.841 ( 0.000 28.146 0.000) 28.146 1.097 ( 0.000 27.151 0.000) 27.151 1.825 ( 0.000 41.504 0.000) 41.504 2.235 ( 0.000 16.270 0.000) 16.270 2.675 ( 0.000 1.986 0.000) 1.986 2.686 ( 0.000 0.791 0.000) 0.791 3.089 ( 0.000 11.824 0.000) 11.824 3.378 ( 0.000 0.337 0.000) 0.337 3.409 ( 0.000 -10.627 0.000) 10.627 3.598 ( 0.000 16.420 0.000) 16.420 3.680 ( 0.000 -5.239 0.000) 5.239 4.078 ( 0.000 0.859 0.000) 0.859 4.156 ( 0.000 3.323 0.000) 3.323 4.246 ( 0.000 1.272 0.000) 1.272 4.538 ( 0.000 -0.957 0.000) 0.957 4.589 ( 0.000 12.055 0.000) 12.055 4.744 ( 0.000 2.192 0.000) 2.192 4.815 ( 0.000 -0.182 0.000) 0.182 4.863 ( 0.000 -6.631 0.000) 6.631 5.023 ( 0.000 -3.792 0.000) 3.792 5.300 ( 0.000 0.316 0.000) 0.316 5.489 ( 0.000 9.286 0.000) 9.286 5.513 ( 0.000 0.717 0.000) 0.717 5.857 ( 0.000 -3.136 0.000) 3.136 6.024 ( 0.000 -13.697 0.000) 13.697 6.094 ( 0.000 -1.894 0.000) 1.894 6.172 ( 0.000 -7.149 0.000) 7.149 6.309 ( 0.000 -5.974 0.000) 5.974 6.701 ( 0.000 12.040 0.000) 12.040 6.879 ( 0.000 0.894 0.000) 0.894 7.186 ( 0.000 9.291 0.000) 9.291 7.416 ( 0.000 -7.575 0.000) 7.575 7.457 ( 0.000 -0.013 0.000) 0.013 7.507 ( 0.000 -2.275 0.000) 2.275 7.510 ( 0.000 -4.243 0.000) 4.243 8.419 ( 0.000 -4.360 0.000) 4.360======================= Grid point 15 (10/112) =======================q-point: ( 0.14 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( 16.915 22.471 0.000) 28.125 1.192 ( 9.109 22.393 0.000) 24.175 2.035 ( 18.825 33.842 0.000) 38.726 2.244 ( -0.391 10.282 0.000) 10.290 2.532 ( -10.355 4.704 0.000) 11.373 2.695 ( 1.981 3.776 0.000) 4.264 3.162 ( 4.783 8.779 0.000) 9.998 3.275 ( -9.849 -0.125 0.000) 9.850 3.369 ( -0.626 1.077 0.000) 1.246 3.641 ( -3.402 -4.471 0.000) 5.618 3.654 ( 2.788 7.316 0.000) 7.829 4.014 ( -5.583 1.715 0.000) 5.840 4.056 ( -7.370 2.184 0.000) 7.687 4.216 ( -6.882 -3.283 0.000) 7.625 4.415 ( -14.372 -1.636 0.000) 14.465 4.527 ( 1.907 7.775 0.000) 8.005 4.578 ( -5.918 10.351 0.000) 11.923 4.834 ( -0.627 -2.422 0.000) 2.502 4.960 ( 1.262 12.281 0.000) 12.346 5.100 ( -10.115 2.099 0.000) 10.331 5.162 ( 8.255 -8.055 0.000) 11.534 5.575 ( 7.615 -0.266 0.000) 7.620 5.647 ( -14.752 -4.078 0.000) 15.305 5.738 ( 6.673 -0.594 0.000) 6.700 5.991 ( 4.596 -9.019 0.000) 10.122 6.128 ( 4.154 -7.219 0.000) 8.329 6.294 ( 9.599 -4.800 0.000) 10.732 6.470 ( 8.882 -7.874 0.000) 11.870 6.724 ( 2.513 11.610 0.000) 11.879 6.872 ( -0.701 1.176 0.000) 1.369 7.163 ( -2.777 2.495 0.000) 3.733 7.431 ( -2.771 0.380 0.000) 2.797 7.465 ( 5.945 -1.578 0.000) 6.151 7.508 ( 0.094 -2.994 0.000) 2.995 7.540 ( 2.241 -2.905 0.000) 3.669 8.331 ( -7.318 -2.427 0.000) 7.710======================= Grid point 16 (11/112) =======================q-point: ( 0.29 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( 18.936 14.273 0.000) 23.713 1.433 ( 13.445 11.259 0.000) 17.537 2.180 ( -5.426 -0.629 0.000) 5.463 2.295 ( -6.234 5.476 0.000) 8.298 2.536 ( 21.593 19.848 0.000) 29.329 2.800 ( 7.687 8.423 0.000) 11.403 3.083 ( -8.222 7.853 0.000) 11.370 3.188 ( -4.218 6.703 0.000) 7.920 3.377 ( 1.348 2.751 0.000) 3.063 3.601 ( 2.821 -0.833 0.000) 2.941 3.673 ( -1.096 2.767 0.000) 2.976 3.882 ( -9.367 -3.541 0.000) 10.014 3.893 ( -5.013 3.236 0.000) 5.967 4.018 ( -9.853 0.254 0.000) 9.856 4.121 ( -13.629 -2.422 0.000) 13.842 4.536 ( 0.921 10.527 0.000) 10.567 4.597 ( 2.007 13.254 0.000) 13.405 4.725 ( -8.005 5.142 0.000) 9.515 4.924 ( -3.754 20.078 0.000) 20.426 4.953 ( -9.710 -1.493 0.000) 9.824 5.253 ( 1.263 -10.372 0.000) 10.448 5.273 ( -12.288 -3.606 0.000) 12.806 5.746 ( 8.313 -4.494 0.000) 9.449 5.907 ( 5.682 -3.240 0.000) 6.541 6.120 ( 6.765 -8.801 0.000) 11.101 6.229 ( 4.510 -10.435 0.000) 11.368 6.491 ( 8.846 -5.528 0.000) 10.431 6.596 ( 3.924 -5.106 0.000) 6.440 6.808 ( 5.193 9.640 0.000) 10.949 6.855 ( -0.749 2.193 0.000) 2.318 7.092 ( -3.216 -2.146 0.000) 3.866 7.345 ( -5.574 2.742 0.000) 6.212 7.519 ( 0.926 -2.207 0.000) 2.394 7.572 ( 0.767 -2.524 0.000) 2.638 7.641 ( 10.292 0.337 0.000) 10.298 8.175 ( -7.601 -1.848 0.000) 7.822======================= Grid point 17 (12/112) =======================q-point: ( 0.43 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( 9.321 -2.160 0.000) 9.568 1.717 ( 7.794 1.459 0.000) 7.929 2.087 ( -1.552 4.380 0.000) 4.647 2.154 ( -6.261 11.200 0.000) 12.831 2.899 ( 9.605 2.624 0.000) 9.957 2.923 ( 2.511 6.165 0.000) 6.656 2.988 ( -0.220 9.640 0.000) 9.642 3.036 ( -7.347 10.236 0.000) 12.599 3.440 ( 6.670 0.924 0.000) 6.733 3.598 ( -6.625 0.713 0.000) 6.663 3.757 ( -0.723 -4.830 0.000) 4.884 3.810 ( 8.777 5.202 0.000) 10.203 3.846 ( -0.592 2.136 0.000) 2.216 3.871 ( -4.419 4.710 0.000) 6.458 3.896 ( 0.947 5.565 0.000) 5.645 4.329 ( -24.175 11.394 0.000) 26.725 4.590 ( 4.007 8.677 0.000) 9.557 4.686 ( -3.668 9.663 0.000) 10.336 4.766 ( -0.175 9.422 0.000) 9.423 4.837 ( -4.480 17.154 0.000) 17.729 5.209 ( 1.348 -8.916 0.000) 9.018 5.245 ( -1.553 -10.053 0.000) 10.172 5.888 ( 5.418 -4.762 0.000) 7.213 5.954 ( -0.789 -4.432 0.000) 4.501 6.234 ( 4.199 -9.713 0.000) 10.582 6.278 ( 0.098 -10.422 0.000) 10.423 6.624 ( 3.830 -6.440 0.000) 7.493 6.646 ( 1.098 -4.779 0.000) 4.904 6.853 ( 0.788 3.458 0.000) 3.547 6.874 ( 0.083 5.127 0.000) 5.127 7.091 ( 4.121 2.194 0.000) 4.668 7.216 ( -6.922 4.656 0.000) 8.342 7.543 ( 1.411 -2.303 0.000) 2.701 7.569 ( -0.905 -2.465 0.000) 2.626 7.846 ( 9.585 -0.966 0.000) 9.634 8.022 ( -7.884 -1.966 0.000) 8.126======================= Grid point 21 (13/112) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 0.000 28.889 0.000) 28.889 1.605 ( 0.000 24.631 0.000) 24.631 2.513 ( 0.000 27.804 0.000) 27.804 2.520 ( 0.000 12.421 0.000) 12.421 2.718 ( 0.000 2.447 0.000) 2.447 2.766 ( 0.000 7.382 0.000) 7.382 3.199 ( 0.000 -10.634 0.000) 10.634 3.373 ( 0.000 11.717 0.000) 11.717 3.388 ( 0.000 1.134 0.000) 1.134 3.608 ( 0.000 4.093 0.000) 4.093 3.780 ( 0.000 2.768 0.000) 2.768 4.093 ( 0.000 0.528 0.000) 0.528 4.120 ( 0.000 -11.879 0.000) 11.879 4.159 ( 0.000 -4.813 0.000) 4.813 4.601 ( 0.000 -4.823 0.000) 4.823 4.675 ( 0.000 15.220 0.000) 15.220 4.703 ( 0.000 -9.770 0.000) 9.770 4.920 ( 0.000 5.728 0.000) 5.728 4.950 ( 0.000 11.641 0.000) 11.641 4.957 ( 0.000 -2.398 0.000) 2.398 5.306 ( 0.000 1.449 0.000) 1.449 5.525 ( 0.000 0.670 0.000) 0.670 5.711 ( 0.000 11.948 0.000) 11.948 5.821 ( 0.000 0.374 0.000) 0.374 5.835 ( 0.000 -4.650 0.000) 4.650 6.009 ( 0.000 -8.861 0.000) 8.861 6.044 ( 0.000 -3.142 0.000) 3.142 6.186 ( 0.000 -6.114 0.000) 6.114 6.903 ( 0.000 2.076 0.000) 2.076 6.916 ( 0.000 9.262 0.000) 9.262 7.259 ( 0.000 -7.986 0.000) 7.986 7.315 ( 0.000 3.709 0.000) 3.709 7.435 ( 0.000 -3.199 0.000) 3.199 7.456 ( 0.000 -2.878 0.000) 2.878 7.457 ( 0.000 -0.030 0.000) 0.030 8.306 ( 0.000 -7.361 0.000) 7.361======================= Grid point 22 (14/112) =======================q-point: ( 0.14 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( 9.884 25.395 0.000) 27.251 1.626 ( 2.004 21.613 0.000) 21.706 2.393 ( -10.065 5.821 0.000) 11.627 2.573 ( 1.685 19.447 0.000) 19.520 2.687 ( -2.713 10.984 0.000) 11.314 2.802 ( 6.488 6.201 0.000) 8.975 3.177 ( -1.911 -7.406 0.000) 7.649 3.347 ( -0.511 4.571 0.000) 4.600 3.489 ( 7.585 5.364 0.000) 9.290 3.571 ( -3.148 9.661 0.000) 10.161 3.762 ( -1.779 1.884 0.000) 2.591 4.040 ( -5.081 0.670 0.000) 5.125 4.049 ( -9.473 -3.963 0.000) 10.268 4.092 ( -3.706 -9.523 0.000) 10.218 4.349 ( -16.126 -3.752 0.000) 16.557 4.647 ( -2.930 -4.525 0.000) 5.390 4.707 ( 3.332 11.814 0.000) 12.275 4.925 ( 0.062 7.284 0.000) 7.284 5.039 ( 7.048 -0.597 0.000) 7.074 5.141 ( -9.876 2.393 0.000) 10.161 5.195 ( 12.114 7.651 0.000) 14.328 5.589 ( -10.883 -0.509 0.000) 10.895 5.679 ( -1.496 9.378 0.000) 9.497 5.714 ( 3.228 -0.615 0.000) 3.286 5.885 ( 5.786 -1.429 0.000) 5.960 5.973 ( 0.125 -8.083 0.000) 8.084 6.180 ( 8.780 -6.813 0.000) 11.114 6.315 ( 8.495 -7.388 0.000) 11.258 6.899 ( -0.316 2.168 0.000) 2.191 6.936 ( 2.169 9.427 0.000) 9.673 7.132 ( -6.675 -4.563 0.000) 8.086 7.423 ( -1.204 -1.829 0.000) 2.190 7.452 ( 6.538 -1.178 0.000) 6.643 7.458 ( 0.102 -0.980 0.000) 0.985 7.485 ( 3.919 -2.131 0.000) 4.461 8.249 ( -5.199 -6.074 0.000) 7.996======================= Grid point 23 (15/112) =======================q-point: ( 0.29 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( 1.367 12.798 0.000) 12.871 1.716 ( 6.559 13.994 0.000) 15.455 2.213 ( -4.390 5.881 0.000) 7.339 2.467 ( -5.459 10.607 0.000) 11.929 2.801 ( 7.170 7.720 0.000) 10.536 2.926 ( 4.325 3.071 0.000) 5.304 3.149 ( -0.038 0.527 0.000) 0.528 3.342 ( -1.410 6.030 0.000) 6.192 3.447 ( -4.912 1.573 0.000) 5.158 3.706 ( -4.127 -0.239 0.000) 4.134 3.741 ( 14.954 19.567 0.000) 24.627 3.817 ( -10.483 -2.069 0.000) 10.685 3.906 ( -6.570 -2.357 0.000) 6.980 4.000 ( -5.378 -4.229 0.000) 6.842 4.086 ( -9.795 -0.080 0.000) 9.795 4.628 ( 1.240 -1.662 0.000) 2.074 4.801 ( 5.272 5.942 0.000) 7.944 4.883 ( -5.608 10.210 0.000) 11.649 4.967 ( -8.670 2.488 0.000) 9.020 5.107 ( -0.576 -2.835 0.000) 2.893 5.290 ( -11.974 6.771 0.000) 13.756 5.330 ( 0.789 18.975 0.000) 18.991 5.708 ( 4.458 0.457 0.000) 4.482 5.812 ( 3.634 -4.277 0.000) 5.612 6.013 ( 5.506 -2.722 0.000) 6.142 6.017 ( 3.567 -10.935 0.000) 11.502 6.348 ( 7.231 -8.953 0.000) 11.508 6.454 ( 4.729 -7.987 0.000) 9.282 6.895 ( 0.082 2.446 0.000) 2.447 6.978 ( -1.250 4.483 0.000) 4.654 7.054 ( 2.362 0.829 0.000) 2.503 7.383 ( -2.966 0.979 0.000) 3.123 7.462 ( 0.422 -2.672 0.000) 2.705 7.499 ( 0.737 -4.299 0.000) 4.361 7.650 ( 9.169 -0.447 0.000) 9.180 8.122 ( -6.827 -4.096 0.000) 7.961======================= Grid point 24 (16/112) =======================q-point: ( 0.43 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 0.346 2.631 0.000) 2.653 1.717 ( -3.465 0.188 0.000) 3.470 2.281 ( 7.891 13.427 0.000) 15.574 2.401 ( -3.056 12.394 0.000) 12.765 2.889 ( 2.500 -1.570 0.000) 2.952 2.945 ( -2.057 -3.151 0.000) 3.763 3.163 ( 0.995 7.834 0.000) 7.897 3.230 ( -5.971 7.280 0.000) 9.415 3.492 ( 6.590 5.032 0.000) 8.291 3.616 ( -4.303 0.868 0.000) 4.390 3.709 ( 0.324 -0.088 0.000) 0.336 3.804 ( -5.273 -4.735 0.000) 7.087 3.879 ( -3.360 1.314 0.000) 3.607 3.896 ( -3.995 -2.768 0.000) 4.860 4.155 ( 19.955 18.989 0.000) 27.546 4.593 ( -21.281 14.953 0.000) 26.009 4.688 ( 4.357 0.549 0.000) 4.392 4.791 ( -5.571 2.034 0.000) 5.931 4.934 ( 5.564 2.211 0.000) 5.988 5.044 ( -4.848 -0.980 0.000) 4.946 5.211 ( 1.765 12.592 0.000) 12.716 5.280 ( -4.054 18.241 0.000) 18.686 5.807 ( 4.121 -3.401 0.000) 5.343 5.850 ( -0.012 -5.044 0.000) 5.044 6.079 ( 1.866 -9.551 0.000) 9.732 6.083 ( 1.497 -5.725 0.000) 5.917 6.461 ( 3.863 -9.780 0.000) 10.516 6.501 ( 0.047 -8.936 0.000) 8.936 6.903 ( 0.707 2.233 0.000) 2.342 6.928 ( -1.943 0.930 0.000) 2.154 7.172 ( 6.893 5.243 0.000) 8.661 7.299 ( -5.332 3.654 0.000) 6.464 7.477 ( 0.994 -3.933 0.000) 4.056 7.497 ( -0.768 -4.440 0.000) 4.506 7.827 ( 8.227 -1.685 0.000) 8.397 7.981 ( -7.148 -2.820 0.000) 7.684======================= Grid point 28 (17/112) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( 0.000 25.028 0.000) 25.028 2.047 ( 0.000 20.581 0.000) 20.581 2.709 ( 0.000 6.737 0.000) 6.737 2.775 ( 0.000 3.124 0.000) 3.124 2.893 ( 0.000 11.042 0.000) 11.042 2.958 ( 0.000 11.926 0.000) 11.926 3.008 ( 0.000 -8.480 0.000) 8.480 3.348 ( 0.000 -5.066 0.000) 5.066 3.436 ( 0.000 4.140 0.000) 4.140 3.761 ( 0.000 -4.104 0.000) 4.104 3.866 ( 0.000 -12.939 0.000) 12.939 4.018 ( 0.000 27.143 0.000) 27.143 4.050 ( 0.000 -3.415 0.000) 3.415 4.098 ( 0.000 0.160 0.000) 0.160 4.482 ( 0.000 -6.994 0.000) 6.994 4.488 ( 0.000 -11.434 0.000) 11.434 4.876 ( 0.000 -9.600 0.000) 9.600 4.949 ( 0.000 1.797 0.000) 1.797 4.968 ( 0.000 11.521 0.000) 11.521 5.111 ( 0.000 5.103 0.000) 5.103 5.358 ( 0.000 1.199 0.000) 1.199 5.577 ( 0.000 5.601 0.000) 5.601 5.715 ( 0.000 -12.092 0.000) 12.092 5.851 ( 0.000 5.905 0.000) 5.905 5.894 ( 0.000 4.867 0.000) 4.867 5.980 ( 0.000 -3.022 0.000) 3.022 6.003 ( 0.000 6.779 0.000) 6.779 6.114 ( 0.000 1.411 0.000) 1.411 6.995 ( 0.000 8.421 0.000) 8.421 7.010 ( 0.000 -1.839 0.000) 1.839 7.160 ( 0.000 0.533 0.000) 0.533 7.329 ( 0.000 -2.209 0.000) 2.209 7.392 ( 0.000 -1.131 0.000) 1.131 7.394 ( 0.000 -3.555 0.000) 3.555 7.453 ( 0.000 -0.450 0.000) 0.450 8.129 ( 0.000 -10.889 0.000) 10.889======================= Grid point 29 (18/112) =======================q-point: ( 0.14 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.979 ( 2.583 21.120 0.000) 21.277 2.022 ( -2.638 18.880 0.000) 19.063 2.513 ( -10.807 7.377 0.000) 13.084 2.821 ( -9.107 7.682 0.000) 11.914 2.882 ( 3.354 -0.041 0.000) 3.355 2.912 ( -0.680 10.145 0.000) 10.168 3.040 ( 3.771 -4.998 0.000) 6.261 3.378 ( -0.173 -5.953 0.000) 5.956 3.453 ( 3.935 6.714 0.000) 7.782 3.733 ( -2.562 -4.712 0.000) 5.364 3.868 ( -1.405 -12.102 0.000) 12.184 3.985 ( -4.915 -0.061 0.000) 4.916 4.036 ( -6.217 0.631 0.000) 6.249 4.063 ( 3.342 25.100 0.000) 25.321 4.290 ( -11.266 -1.470 0.000) 11.362 4.487 ( 0.351 -9.345 0.000) 9.352 4.833 ( -1.882 -4.492 0.000) 4.870 5.011 ( 1.904 4.603 0.000) 4.981 5.051 ( 5.638 1.557 0.000) 5.849 5.196 ( -10.387 1.851 0.000) 10.551 5.294 ( 14.459 2.682 0.000) 14.706 5.671 ( -2.076 8.817 0.000) 9.058 5.710 ( 0.648 -9.669 0.000) 9.691 5.777 ( 1.005 6.387 0.000) 6.466 5.911 ( 1.898 3.265 0.000) 3.777 5.946 ( -4.668 4.999 0.000) 6.840 6.050 ( 5.322 -5.055 0.000) 7.340 6.218 ( 7.096 -0.958 0.000) 7.160 6.989 ( -0.490 8.092 0.000) 8.107 7.007 ( -1.316 -4.563 0.000) 4.749 7.105 ( -1.534 4.921 0.000) 5.155 7.388 ( -0.412 -1.133 0.000) 1.205 7.400 ( 1.422 -3.316 0.000) 3.608 7.440 ( 7.215 -3.808 0.000) 8.158 7.452 ( -0.227 -0.291 0.000) 0.369 8.092 ( -3.418 -10.015 0.000) 10.582======================= Grid point 30 (19/112) =======================q-point: ( 0.29 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( -8.200 8.972 0.000) 12.155 1.929 ( -6.697 13.897 0.000) 15.426 2.424 ( 2.800 13.640 0.000) 13.924 2.631 ( -7.267 4.384 0.000) 8.487 2.883 ( -2.000 -6.697 0.000) 6.990 2.912 ( -0.154 5.291 0.000) 5.293 3.167 ( 7.591 1.247 0.000) 7.693 3.359 ( -1.442 -3.962 0.000) 4.216 3.542 ( 4.260 9.354 0.000) 10.279 3.658 ( -4.644 -3.639 0.000) 5.900 3.787 ( -3.959 -5.639 0.000) 6.890 3.846 ( -9.634 -1.760 0.000) 9.794 3.909 ( -3.828 1.085 0.000) 3.979 4.030 ( -7.851 0.121 0.000) 7.851 4.284 ( 10.535 24.915 0.000) 27.051 4.533 ( 4.193 -6.009 0.000) 7.327 4.827 ( 0.663 -4.259 0.000) 4.311 4.979 ( -5.994 2.207 0.000) 6.388 5.028 ( -5.554 0.394 0.000) 5.568 5.099 ( -1.118 0.826 0.000) 1.390 5.538 ( -5.767 17.203 0.000) 18.144 5.567 ( 10.751 4.469 0.000) 11.643 5.762 ( 2.107 -1.145 0.000) 2.398 5.830 ( 1.029 5.502 0.000) 5.598 5.834 ( -3.327 -2.971 0.000) 4.460 5.976 ( 3.214 -1.494 0.000) 3.544 6.170 ( 5.934 -8.064 0.000) 10.012 6.329 ( 3.210 -3.717 0.000) 4.911 6.960 ( -1.876 -1.780 0.000) 2.586 6.978 ( -0.588 6.881 0.000) 6.906 7.149 ( 4.769 4.946 0.000) 6.870 7.376 ( -0.816 -1.118 0.000) 1.384 7.415 ( 0.273 -4.157 0.000) 4.166 7.439 ( -1.079 -0.072 0.000) 1.081 7.603 ( 8.195 -4.597 0.000) 9.396 8.004 ( -5.087 -8.202 0.000) 9.652======================= Grid point 31 (20/112) =======================q-point: ( 0.43 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.773 ( -4.424 6.098 0.000) 7.534 1.788 ( -5.379 8.680 0.000) 10.212 2.513 ( 3.654 7.192 0.000) 8.067 2.553 ( -1.452 1.205 0.000) 1.887 2.853 ( -0.030 -3.599 0.000) 3.599 2.885 ( -2.304 2.539 0.000) 3.429 3.286 ( 3.190 4.066 0.000) 5.168 3.323 ( -1.652 2.159 0.000) 2.718 3.610 ( 1.568 -1.792 0.000) 2.382 3.649 ( 6.577 8.398 0.000) 10.667 3.695 ( -5.691 -2.273 0.000) 6.128 3.757 ( 0.046 1.312 0.000) 1.313 3.804 ( -5.244 -0.469 0.000) 5.265 3.865 ( -7.348 -2.467 0.000) 7.752 4.555 ( 14.802 19.875 0.000) 24.781 4.643 ( 6.357 -4.074 0.000) 7.550 4.773 ( -6.307 -3.079 0.000) 7.018 4.841 ( -11.884 8.033 0.000) 14.345 4.951 ( 2.599 0.259 0.000) 2.611 5.034 ( -4.449 -0.281 0.000) 4.458 5.507 ( 2.628 14.992 0.000) 15.221 5.609 ( -5.993 12.170 0.000) 13.566 5.772 ( 3.964 0.241 0.000) 3.971 5.827 ( -1.279 2.990 0.000) 3.252 5.917 ( 5.661 -6.823 0.000) 8.865 5.995 ( -1.601 -3.676 0.000) 4.010 6.277 ( 4.485 -7.991 0.000) 9.164 6.342 ( -1.654 -6.332 0.000) 6.544 6.948 ( 0.498 2.100 0.000) 2.158 6.965 ( -0.818 4.811 0.000) 4.880 7.260 ( 5.434 3.310 0.000) 6.363 7.346 ( -2.698 0.683 0.000) 2.783 7.413 ( -0.319 -3.865 0.000) 3.879 7.415 ( -0.829 -1.730 0.000) 1.919 7.760 ( 7.202 -5.538 0.000) 9.085 7.892 ( -5.961 -6.624 0.000) 8.911======================= Grid point 35 (21/112) =======================q-point: ( 0.00 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.355 ( 0.000 17.426 0.000) 17.426 2.407 ( 0.000 16.500 0.000) 16.500 2.744 ( 0.000 -3.852 0.000) 3.852 2.831 ( 0.000 2.591 0.000) 2.591 2.907 ( 0.000 -1.428 0.000) 1.428 2.914 ( 0.000 -7.564 0.000) 7.564 3.194 ( 0.000 10.731 0.000) 10.731 3.328 ( 0.000 2.028 0.000) 2.028 3.568 ( 0.000 10.062 0.000) 10.062 3.649 ( 0.000 -5.984 0.000) 5.984 3.653 ( 0.000 -8.041 0.000) 8.041 4.090 ( 0.000 7.460 0.000) 7.460 4.112 ( 0.000 0.201 0.000) 0.201 4.148 ( 0.000 -12.288 0.000) 12.288 4.337 ( 0.000 -7.645 0.000) 7.645 4.618 ( 0.000 -15.472 0.000) 15.472 4.620 ( 0.000 23.922 0.000) 23.922 5.028 ( 0.000 5.979 0.000) 5.979 5.116 ( 0.000 5.248 0.000) 5.248 5.156 ( 0.000 -0.657 0.000) 0.657 5.317 ( 0.000 -4.506 0.000) 4.506 5.434 ( 0.000 -15.567 0.000) 15.567 5.706 ( 0.000 6.232 0.000) 6.232 5.890 ( 0.000 -3.412 0.000) 3.412 5.942 ( 0.000 -0.422 0.000) 0.422 6.048 ( 0.000 12.939 0.000) 12.939 6.049 ( 0.000 -2.106 0.000) 2.106 6.267 ( 0.000 8.348 0.000) 8.348 6.941 ( 0.000 -1.337 0.000) 1.337 7.218 ( 0.000 3.312 0.000) 3.312 7.224 ( 0.000 -8.442 0.000) 8.442 7.241 ( 0.000 15.934 0.000) 15.934 7.328 ( 0.000 -2.970 0.000) 2.970 7.389 ( 0.000 0.705 0.000) 0.705 7.438 ( 0.000 -1.115 0.000) 1.115 7.881 ( 0.000 -14.477 0.000) 14.477======================= Grid point 36 (22/112) =======================q-point: ( 0.14 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( -5.725 13.739 0.000) 14.884 2.360 ( -4.907 15.896 0.000) 16.636 2.695 ( -4.316 10.577 0.000) 11.424 2.763 ( -1.985 -9.536 0.000) 9.740 2.836 ( -8.525 -5.981 0.000) 10.414 3.000 ( 6.368 -2.031 0.000) 6.684 3.098 ( -5.340 8.674 0.000) 10.186 3.286 ( -3.588 -3.063 0.000) 4.717 3.620 ( -1.351 -5.307 0.000) 5.476 3.641 ( 5.633 11.560 0.000) 12.860 3.664 ( -0.590 -7.935 0.000) 7.957 4.043 ( -7.491 0.866 0.000) 7.541 4.079 ( -0.778 9.360 0.000) 9.392 4.130 ( -4.575 -8.274 0.000) 9.455 4.285 ( 1.145 -6.907 0.000) 7.002 4.622 ( 0.576 -14.461 0.000) 14.472 4.662 ( 4.024 23.978 0.000) 24.314 5.079 ( -3.287 2.703 0.000) 4.256 5.103 ( 4.266 3.525 0.000) 5.534 5.194 ( -9.441 -1.918 0.000) 9.634 5.306 ( 12.936 -1.513 0.000) 13.024 5.471 ( 4.076 -13.153 0.000) 13.770 5.807 ( 6.848 3.712 0.000) 7.789 5.907 ( 1.355 0.165 0.000) 1.365 5.935 ( -1.471 -1.707 0.000) 2.254 6.008 ( -3.435 12.628 0.000) 13.086 6.025 ( -1.081 -1.996 0.000) 2.270 6.292 ( 1.712 4.573 0.000) 4.883 6.946 ( 0.742 0.615 0.000) 0.964 7.172 ( -0.214 0.536 0.000) 0.577 7.222 ( -1.760 14.770 0.000) 14.874 7.324 ( 3.150 -5.374 0.000) 6.230 7.344 ( 3.887 -3.644 0.000) 5.328 7.383 ( -0.662 0.499 0.000) 0.829 7.443 ( 0.364 -0.350 0.000) 0.505 7.859 ( -2.082 -13.804 0.000) 13.960======================= Grid point 37 (23/112) =======================q-point: ( 0.29 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.119 ( -11.372 11.174 0.000) 15.943 2.200 ( -10.464 13.688 0.000) 17.230 2.578 ( -7.099 -5.000 0.000) 8.683 2.615 ( -10.825 -5.425 0.000) 12.108 2.803 ( 5.184 5.756 0.000) 7.746 3.025 ( -2.283 6.000 0.000) 6.419 3.148 ( 7.619 -4.410 0.000) 8.803 3.254 ( 0.589 -6.048 0.000) 6.077 3.595 ( -1.242 -2.362 0.000) 2.669 3.645 ( -0.266 -5.753 0.000) 5.759 3.706 ( -1.063 5.863 0.000) 5.958 3.892 ( -5.435 2.593 0.000) 6.022 3.995 ( -5.712 2.339 0.000) 6.172 4.058 ( -1.568 12.176 0.000) 12.276 4.389 ( 6.752 -7.834 0.000) 10.343 4.646 ( 1.432 -13.515 0.000) 13.591 4.766 ( 5.617 20.717 0.000) 21.465 4.999 ( -4.506 -0.272 0.000) 4.514 5.010 ( -7.316 -0.388 0.000) 7.327 5.117 ( -3.023 0.455 0.000) 3.057 5.580 ( 11.983 -2.259 0.000) 12.194 5.610 ( 9.458 -7.976 0.000) 12.372 5.861 ( -4.573 1.661 0.000) 4.865 5.880 ( -1.422 12.101 0.000) 12.185 5.927 ( -1.588 7.407 0.000) 7.575 5.949 ( 0.704 -1.293 0.000) 1.472 6.059 ( 4.014 -4.784 0.000) 6.245 6.304 ( -0.918 -1.286 0.000) 1.580 6.979 ( 2.541 4.875 0.000) 5.498 7.174 ( -2.871 12.290 0.000) 12.621 7.211 ( 3.554 0.753 0.000) 3.633 7.344 ( 0.722 -2.625 0.000) 2.722 7.361 ( -1.451 -0.323 0.000) 1.487 7.444 ( -0.417 0.981 0.000) 1.066 7.476 ( 7.042 -7.782 0.000) 10.495 7.803 ( -3.380 -12.185 0.000) 12.645======================= Grid point 38 (24/112) =======================q-point: ( 0.43 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( -3.574 11.777 0.000) 12.308 1.998 ( -7.607 12.268 0.000) 14.435 2.458 ( -3.648 -10.552 0.000) 11.165 2.460 ( -4.046 -9.064 0.000) 9.926 2.913 ( 4.778 8.062 0.000) 9.372 2.984 ( -2.389 6.620 0.000) 7.038 3.267 ( 3.302 -6.495 0.000) 7.286 3.281 ( 1.177 -6.374 0.000) 6.481 3.582 ( 0.564 0.325 0.000) 0.651 3.630 ( -4.051 1.111 0.000) 4.200 3.680 ( 3.821 -3.733 0.000) 5.342 3.784 ( -5.917 -4.305 0.000) 7.318 3.965 ( 1.691 16.974 0.000) 17.058 4.014 ( -2.628 15.699 0.000) 15.917 4.527 ( 6.625 -8.581 0.000) 10.840 4.637 ( -3.368 -11.429 0.000) 11.916 4.863 ( 3.648 10.781 0.000) 11.382 4.922 ( -2.197 1.473 0.000) 2.645 4.939 ( 0.264 -0.765 0.000) 0.809 5.019 ( -5.596 -1.146 0.000) 5.713 5.752 ( 3.871 2.080 0.000) 4.395 5.774 ( 5.123 -1.221 0.000) 5.267 5.806 ( -3.807 14.821 0.000) 15.302 5.844 ( 5.521 2.716 0.000) 6.153 5.878 ( -3.669 0.914 0.000) 3.781 5.941 ( -2.695 -1.177 0.000) 2.941 6.159 ( 5.277 -5.655 0.000) 7.734 6.254 ( -3.861 -4.449 0.000) 5.891 7.042 ( 3.403 7.707 0.000) 8.425 7.110 ( -3.343 9.773 0.000) 10.329 7.285 ( 2.982 -1.424 0.000) 3.304 7.328 ( -1.754 -1.691 0.000) 2.436 7.370 ( 2.115 0.436 0.000) 2.159 7.419 ( -2.125 1.818 0.000) 2.797 7.612 ( 6.242 -9.210 0.000) 11.126 7.723 ( -4.661 -10.498 0.000) 11.486======================= Grid point 42 (25/112) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.612 ( 0.000 -9.367 0.000) 9.367 2.612 ( 0.000 9.367 0.000) 9.367 2.697 ( 0.000 -13.410 0.000) 13.410 2.697 ( 0.000 13.410 0.000) 13.410 2.880 ( 0.000 -2.239 0.000) 2.239 2.880 ( 0.000 2.239 0.000) 2.239 3.330 ( 0.000 -3.036 0.000) 3.036 3.330 ( 0.000 3.036 0.000) 3.036 3.577 ( 0.000 -0.423 0.000) 0.423 3.577 ( 0.000 0.423 0.000) 0.423 3.831 ( 0.000 -16.025 0.000) 16.025 3.831 ( 0.000 16.025 0.000) 16.025 4.199 ( 0.000 -6.066 0.000) 6.066 4.199 ( 0.000 6.066 0.000) 6.066 4.315 ( 0.000 -14.640 0.000) 14.640 4.315 ( 0.000 14.640 0.000) 14.640 5.028 ( 0.000 -15.482 0.000) 15.482 5.028 ( 0.000 15.482 0.000) 15.482 5.167 ( 0.000 -9.067 0.000) 9.067 5.167 ( 0.000 9.067 0.000) 9.067 5.216 ( 0.000 -5.357 0.000) 5.357 5.216 ( 0.000 5.357 0.000) 5.357 5.810 ( 0.000 -4.614 0.000) 4.614 5.810 ( 0.000 4.614 0.000) 4.614 5.976 ( 0.000 -3.729 0.000) 3.729 5.976 ( 0.000 3.729 0.000) 3.729 6.272 ( 0.000 -7.772 0.000) 7.772 6.272 ( 0.000 7.772 0.000) 7.772 7.032 ( 0.000 -9.608 0.000) 9.608 7.032 ( 0.000 9.608 0.000) 9.608 7.275 ( 0.000 -2.643 0.000) 2.643 7.275 ( 0.000 2.643 0.000) 2.643 7.412 ( 0.000 -1.427 0.000) 1.427 7.412 ( 0.000 1.427 0.000) 1.427 7.571 ( 0.000 -17.023 0.000) 17.023 7.571 ( 0.000 17.023 0.000) 17.023======================= Grid point 44 (26/112) =======================q-point: ( 0.14 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.552 ( -6.819 -11.241 0.000) 13.147 2.552 ( -6.819 11.241 0.000) 13.147 2.641 ( -6.169 -12.770 0.000) 14.182 2.641 ( -6.169 12.770 0.000) 14.182 2.897 ( 2.890 -8.549 0.000) 9.025 2.897 ( 2.890 8.549 0.000) 9.025 3.225 ( -6.984 -4.282 0.000) 8.192 3.225 ( -6.984 4.282 0.000) 8.192 3.574 ( -0.125 -1.154 0.000) 1.161 3.574 ( -0.125 1.154 0.000) 1.161 3.880 ( 1.328 -12.548 0.000) 12.618 3.880 ( 1.328 12.548 0.000) 12.618 4.153 ( -1.856 -6.260 0.000) 6.530 4.153 ( -1.856 6.260 0.000) 6.530 4.325 ( 0.892 -14.945 0.000) 14.972 4.325 ( 0.892 14.945 0.000) 14.972 5.053 ( 1.643 -13.970 0.000) 14.066 5.053 ( 1.643 13.970 0.000) 14.066 5.138 ( -6.549 -3.284 0.000) 7.326 5.138 ( -6.549 3.284 0.000) 7.326 5.287 ( 10.579 -3.984 0.000) 11.304 5.287 ( 10.579 3.984 0.000) 11.304 5.866 ( 4.215 -2.788 0.000) 5.053 5.866 ( 4.215 2.788 0.000) 5.053 5.955 ( -1.552 -3.536 0.000) 3.861 5.955 ( -1.552 3.536 0.000) 3.861 6.249 ( -2.183 -9.031 0.000) 9.291 6.249 ( -2.183 9.031 0.000) 9.291 7.062 ( 2.756 -9.325 0.000) 9.723 7.062 ( 2.756 9.325 0.000) 9.723 7.294 ( 1.888 -1.699 0.000) 2.540 7.294 ( 1.888 1.699 0.000) 2.540 7.396 ( -1.653 -0.163 0.000) 1.662 7.396 ( -1.653 0.163 0.000) 1.662 7.567 ( -0.425 -15.284 0.000) 15.290 7.567 ( -0.425 15.284 0.000) 15.290======================= Grid point 46 (27/112) =======================q-point: ( 0.29 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.361 ( -10.265 -13.144 0.000) 16.677 2.361 ( -10.265 13.144 0.000) 16.677 2.447 ( -11.696 -11.202 0.000) 16.195 2.447 ( -11.696 11.202 0.000) 16.195 2.995 ( 5.759 -10.238 0.000) 11.747 2.995 ( 5.759 10.238 0.000) 11.747 3.139 ( -1.500 -5.753 0.000) 5.946 3.139 ( -1.500 5.753 0.000) 5.946 3.582 ( 1.024 -1.149 0.000) 1.539 3.582 ( 1.024 1.149 0.000) 1.539 3.813 ( -6.224 -5.851 0.000) 8.542 3.813 ( -6.224 5.851 0.000) 8.542 4.195 ( 4.737 -11.889 0.000) 12.799 4.195 ( 4.737 11.889 0.000) 12.799 4.345 ( 0.876 -16.197 0.000) 16.220 4.345 ( 0.876 16.197 0.000) 16.220 5.001 ( -5.960 -0.554 0.000) 5.985 5.001 ( -5.960 0.554 0.000) 5.985 5.058 ( -1.804 -8.493 0.000) 8.682 5.058 ( -1.804 8.493 0.000) 8.682 5.529 ( 12.117 -0.614 0.000) 12.132 5.529 ( 12.117 0.614 0.000) 12.132 5.926 ( 0.919 -0.867 0.000) 1.264 5.926 ( 0.919 0.867 0.000) 1.264 5.944 ( 1.155 -6.304 0.000) 6.409 5.944 ( 1.155 6.304 0.000) 6.409 6.188 ( -3.725 -10.977 0.000) 11.592 6.188 ( -3.725 10.977 0.000) 11.592 7.132 ( 3.782 -8.446 0.000) 9.254 7.132 ( 3.782 8.446 0.000) 9.254 7.345 ( -3.217 -2.817 0.000) 4.276 7.345 ( -3.217 2.817 0.000) 4.276 7.352 ( 3.823 -3.709 0.000) 5.327 7.352 ( 3.823 3.709 0.000) 5.327 7.553 ( -1.066 -11.748 0.000) 11.797 7.553 ( -1.066 11.748 0.000) 11.797======================= Grid point 48 (28/112) =======================q-point: ( 0.43 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.208 ( -3.508 -13.817 0.000) 14.255 2.208 ( -3.508 13.817 0.000) 14.255 2.244 ( -6.863 -12.427 0.000) 14.196 2.244 ( -6.863 12.427 0.000) 14.196 3.093 ( 3.385 -9.839 0.000) 10.405 3.093 ( 3.385 9.839 0.000) 10.405 3.129 ( -0.468 -8.110 0.000) 8.124 3.129 ( -0.468 8.110 0.000) 8.124 3.618 ( 2.615 -2.722 0.000) 3.774 3.618 ( 2.615 2.722 0.000) 3.774 3.693 ( -4.978 -4.516 0.000) 6.721 3.693 ( -4.978 4.516 0.000) 6.721 4.292 ( 4.180 -15.242 0.000) 15.805 4.292 ( 4.180 15.242 0.000) 15.805 4.347 ( -1.083 -17.209 0.000) 17.243 4.347 ( -1.083 17.209 0.000) 17.243 4.933 ( -0.221 -0.120 0.000) 0.251 4.933 ( -0.221 0.120 0.000) 0.251 4.985 ( -4.407 -2.909 0.000) 5.281 4.985 ( -4.407 2.909 0.000) 5.281 5.747 ( 9.139 -0.513 0.000) 9.154 5.747 ( 9.139 0.513 0.000) 9.154 5.889 ( -4.644 -0.787 0.000) 4.710 5.889 ( -4.644 0.787 0.000) 4.710 6.007 ( 4.540 -9.745 0.000) 10.750 6.007 ( 4.540 9.745 0.000) 10.750 6.103 ( -4.624 -11.341 0.000) 12.247 6.103 ( -4.624 11.341 0.000) 12.247 7.204 ( 3.412 -6.961 0.000) 7.753 7.204 ( 3.412 6.961 0.000) 7.753 7.274 ( -3.583 -5.063 0.000) 6.202 7.274 ( -3.583 5.063 0.000) 6.202 7.440 ( 4.451 -6.922 0.000) 8.230 7.440 ( 4.451 6.922 0.000) 8.230 7.515 ( -2.817 -9.045 0.000) 9.473 7.515 ( -2.817 9.045 0.000) 9.473======================= Grid point 91 (29/112) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.317 ( 0.000 0.000 16.590) 16.590 0.590 ( 0.000 0.000 29.405) 29.405 1.098 ( 0.000 0.000 53.743) 53.743 1.672 ( 0.000 0.000 -10.479) 10.479 2.633 ( 0.000 0.000 -16.294) 16.294 2.741 ( 0.000 0.000 3.245) 3.245 3.123 ( 0.000 0.000 6.281) 6.281 3.149 ( 0.000 0.000 11.559) 11.559 3.398 ( 0.000 0.000 6.550) 6.550 3.684 ( 0.000 0.000 -1.703) 1.703 3.836 ( 0.000 0.000 4.262) 4.262 4.017 ( 0.000 0.000 -3.854) 3.854 4.032 ( 0.000 0.000 0.759) 0.759 4.089 ( 0.000 0.000 4.657) 4.657 4.111 ( 0.000 0.000 0.404) 0.404 4.173 ( 0.000 0.000 -1.408) 1.408 4.746 ( 0.000 0.000 -5.120) 5.120 4.835 ( 0.000 0.000 -14.137) 14.137 4.912 ( 0.000 0.000 -6.142) 6.142 5.237 ( 0.000 0.000 -3.668) 3.668 5.334 ( 0.000 0.000 12.871) 12.871 5.405 ( 0.000 0.000 6.157) 6.157 5.709 ( 0.000 0.000 -12.321) 12.321 5.971 ( 0.000 0.000 -1.993) 1.993 6.087 ( 0.000 0.000 -3.331) 3.331 6.202 ( 0.000 0.000 -5.229) 5.229 6.377 ( 0.000 0.000 0.643) 0.643 6.454 ( 0.000 0.000 -0.532) 0.532 6.473 ( 0.000 0.000 -10.068) 10.068 6.745 ( 0.000 0.000 0.748) 0.748 6.816 ( 0.000 0.000 22.197) 22.197 6.842 ( 0.000 0.000 -0.720) 0.720 7.053 ( 0.000 0.000 -27.182) 27.182 7.498 ( 0.000 0.000 2.895) 2.895 8.103 ( 0.000 0.000 23.172) 23.172 9.141 ( 0.000 0.000 -3.450) 3.450======================= Grid point 92 (30/112) =======================q-point: ( 0.14 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 25.408 0.000 8.598) 26.823 0.858 ( 22.623 0.000 19.282) 29.725 1.464 ( 30.564 0.000 39.230) 49.731 1.790 ( 10.924 0.000 -9.773) 14.658 2.462 ( -5.766 0.000 -6.570) 8.741 2.861 ( -3.697 0.000 -4.950) 6.178 3.020 ( -9.891 0.000 5.804) 11.468 3.173 ( 5.502 0.000 11.240) 12.514 3.358 ( -4.449 0.000 4.998) 6.691 3.643 ( -2.594 0.000 -1.221) 2.867 3.699 ( -7.338 0.000 -0.953) 7.400 3.917 ( -7.561 0.000 -1.439) 7.697 4.011 ( -2.151 0.000 0.741) 2.275 4.088 ( -1.943 0.000 1.917) 2.730 4.166 ( 5.564 0.000 -0.561) 5.592 4.264 ( 5.268 0.000 -1.451) 5.464 4.472 ( -19.866 0.000 -0.919) 19.887 4.683 ( -7.436 0.000 4.539) 8.712 4.953 ( -15.560 0.000 0.392) 15.565 5.095 ( 8.961 0.000 -5.193) 10.357 5.402 ( 4.154 0.000 5.382) 6.799 5.591 ( -6.361 0.000 -9.785) 11.671 5.705 ( 6.199 0.000 -3.374) 7.058 5.942 ( -7.834 0.000 -11.015) 13.517 6.093 ( 2.347 0.000 -2.761) 3.624 6.396 ( 1.807 0.000 0.568) 1.895 6.401 ( 16.779 0.000 -18.037) 24.635 6.465 ( 1.002 0.000 -0.478) 1.110 6.685 ( 14.001 0.000 -10.828) 17.699 6.739 ( -0.621 0.000 0.671) 0.915 6.827 ( -1.472 0.000 -0.664) 1.615 6.973 ( 2.607 0.000 -5.111) 5.738 7.099 ( 12.469 0.000 -9.711) 15.805 7.572 ( 7.070 0.000 4.128) 8.187 8.058 ( -4.184 0.000 23.081) 23.457 8.798 ( -20.732 0.000 15.487) 25.878======================= Grid point 93 (31/112) =======================q-point: ( 0.29 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.203 ( 26.606 0.000 5.829) 27.237 1.358 ( 24.854 0.000 14.249) 28.649 2.062 ( 13.950 0.000 -7.546) 15.860 2.152 ( 34.434 0.000 21.248) 40.462 2.364 ( -5.754 0.000 -1.227) 5.884 2.727 ( -5.404 0.000 5.567) 7.759 2.758 ( -14.290 0.000 4.378) 14.946 3.203 ( -10.891 0.000 -0.041) 10.891 3.299 ( 5.625 0.000 3.291) 6.517 3.595 ( -2.883 0.000 -6.779) 7.366 3.614 ( -0.185 0.000 1.160) 1.175 3.773 ( -6.091 0.000 1.385) 6.246 3.868 ( -14.807 0.000 -1.411) 14.874 3.971 ( -3.847 0.000 0.233) 3.854 4.216 ( -10.103 0.000 -3.763) 10.781 4.281 ( 5.122 0.000 -0.643) 5.162 4.349 ( 3.023 0.000 -1.244) 3.269 4.508 ( -7.034 0.000 15.415) 16.944 4.638 ( -13.033 0.000 7.249) 14.913 5.068 ( -20.390 0.000 3.832) 20.747 5.382 ( 2.563 0.000 -9.273) 9.620 5.478 ( 2.320 0.000 -2.138) 3.155 5.844 ( 7.448 0.000 -8.992) 11.676 6.021 ( 8.064 0.000 -10.432) 13.186 6.142 ( 2.443 0.000 -4.791) 5.378 6.444 ( 2.783 0.000 0.374) 2.808 6.491 ( 1.383 0.000 -0.319) 1.419 6.544 ( -0.664 0.000 -21.314) 21.325 6.723 ( -0.828 0.000 0.452) 0.943 6.786 ( -2.447 0.000 -0.499) 2.498 6.888 ( 5.315 0.000 -11.714) 12.863 6.991 ( 2.563 0.000 -13.577) 13.817 7.392 ( 13.151 0.000 3.521) 13.614 7.768 ( 11.606 0.000 6.240) 13.177 7.949 ( -6.247 0.000 21.519) 22.407 8.472 ( -12.551 0.000 13.902) 18.729======================= Grid point 94 (32/112) =======================q-point: ( 0.43 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 24.313 0.000 4.828) 24.788 1.818 ( 20.173 0.000 13.543) 24.297 2.135 ( -12.801 0.000 1.773) 12.924 2.165 ( -13.979 0.000 10.030) 17.205 2.647 ( 8.997 0.000 -3.505) 9.656 2.696 ( 13.704 0.000 8.392) 16.070 2.723 ( 3.896 0.000 4.229) 5.750 2.932 ( -15.279 0.000 -4.013) 15.797 3.398 ( 6.654 0.000 -1.458) 6.812 3.573 ( -6.069 0.000 -7.117) 9.354 3.629 ( 1.556 0.000 2.861) 3.256 3.673 ( 4.701 0.000 -1.277) 4.872 3.678 ( -3.422 0.000 3.054) 4.587 3.916 ( -9.685 0.000 -2.832) 10.090 3.982 ( -0.980 0.000 2.298) 2.499 4.237 ( -20.116 0.000 11.342) 23.093 4.360 ( 2.580 0.000 -0.748) 2.686 4.383 ( 0.273 0.000 -0.961) 0.999 4.556 ( 3.894 0.000 12.429) 13.025 4.701 ( -11.524 0.000 7.529) 13.766 5.463 ( 3.141 0.000 -5.278) 6.142 5.497 ( -0.346 0.000 -4.094) 4.109 5.999 ( 6.761 0.000 -6.443) 9.339 6.089 ( -1.731 0.000 0.032) 1.731 6.255 ( 8.831 0.000 -22.050) 23.752 6.437 ( -8.278 0.000 -25.763) 27.060 6.496 ( 1.939 0.000 0.136) 1.944 6.511 ( 0.384 0.000 -0.093) 0.395 6.713 ( 0.162 0.000 0.124) 0.204 6.737 ( -2.090 0.000 -0.229) 2.103 6.972 ( 3.491 0.000 -9.734) 10.341 7.018 ( -0.687 0.000 -11.827) 11.847 7.624 ( 10.039 0.000 11.145) 15.000 7.803 ( -7.766 0.000 16.560) 18.291 8.015 ( 11.841 0.000 8.489) 14.569 8.244 ( -10.873 0.000 9.978) 14.757======================= Grid point 98 (33/112) =======================q-point: ( 0.00 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.801 ( 0.000 18.674 20.656) 27.846 0.806 ( 0.000 22.029 18.153) 28.545 1.276 ( 0.000 25.722 36.772) 44.875 1.832 ( 0.000 14.833 -8.924) 17.310 2.566 ( 0.000 -2.396 -12.408) 12.637 2.726 ( 0.000 -0.798 4.237) 4.311 3.050 ( 0.000 -3.000 10.465) 10.887 3.351 ( 0.000 18.196 8.379) 20.033 3.408 ( 0.000 0.137 4.816) 4.818 3.597 ( 0.000 -7.656 -0.558) 7.677 3.755 ( 0.000 -3.548 -0.706) 3.618 4.034 ( 0.000 0.695 -2.386) 2.485 4.103 ( 0.000 5.711 -2.484) 6.228 4.149 ( 0.000 3.222 3.610) 4.839 4.275 ( 0.000 9.935 -2.853) 10.337 4.310 ( 0.000 8.067 -9.047) 12.121 4.728 ( 0.000 -1.911 -4.274) 4.682 4.842 ( 0.000 1.622 -8.096) 8.257 4.909 ( 0.000 -0.809 -5.262) 5.324 5.261 ( 0.000 1.886 -3.431) 3.916 5.273 ( 0.000 -5.575 13.131) 14.266 5.402 ( 0.000 -0.061 4.359) 4.360 5.660 ( 0.000 -3.583 -14.597) 15.031 5.676 ( 0.000 -10.574 7.944) 13.225 6.076 ( 0.000 -1.223 -3.743) 3.938 6.167 ( 0.000 -3.370 -4.976) 6.010 6.283 ( 0.000 -13.056 -4.513) 13.814 6.485 ( 0.000 9.480 0.778) 9.512 6.745 ( 0.000 -5.109 14.674) 15.538 6.868 ( 0.000 -0.092 2.460) 2.461 6.897 ( 0.000 13.890 -8.885) 16.488 7.024 ( 0.000 23.868 -17.331) 29.496 7.048 ( 0.000 0.274 -21.760) 21.762 7.491 ( 0.000 -0.719 2.335) 2.443 8.053 ( 0.000 -4.991 22.596) 23.141 8.850 ( 0.000 -19.076 11.119) 22.080======================= Grid point 99 (34/112) =======================q-point: ( 0.14 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.907 ( 14.050 17.424 13.222) 25.996 1.007 ( 17.343 12.825 18.746) 28.577 1.639 ( 29.055 20.421 27.534) 44.937 1.926 ( 8.426 12.229 -8.352) 17.038 2.483 ( -4.485 2.803 -6.422) 8.320 2.705 ( -3.755 -9.299 2.774) 10.405 3.102 ( -0.735 1.640 5.177) 5.480 3.219 ( -6.623 9.396 7.400) 13.672 3.391 ( -1.954 1.815 4.239) 5.008 3.616 ( -0.210 -2.233 0.184) 2.251 3.699 ( -3.816 0.485 -1.446) 4.109 3.953 ( -7.656 1.307 -2.934) 8.303 4.016 ( -4.420 0.666 -0.674) 4.520 4.156 ( -8.940 4.338 -3.819) 10.645 4.230 ( 4.719 5.443 0.737) 7.242 4.310 ( -0.054 6.423 -2.715) 6.974 4.617 ( -14.566 6.849 -0.571) 16.106 4.699 ( -3.703 5.609 2.388) 7.133 4.939 ( -10.496 -1.670 2.294) 10.873 5.074 ( 2.489 -1.103 -3.146) 4.161 5.355 ( 4.043 -4.943 3.891) 7.478 5.554 ( -1.495 -3.291 -11.247) 11.813 5.667 ( 3.108 -4.453 -3.043) 6.224 5.861 ( 3.808 -6.459 -4.643) 8.819 5.898 ( -2.075 -9.785 -3.526) 10.606 6.203 ( 9.834 -4.476 -4.901) 11.865 6.453 ( 6.939 -10.184 -2.982) 12.679 6.503 ( 1.503 8.705 1.144) 8.908 6.761 ( -0.665 -0.473 -0.656) 1.047 6.851 ( -1.347 7.082 -0.983) 7.275 6.944 ( 2.719 -2.082 -7.051) 7.839 7.033 ( 2.405 15.091 -10.919) 18.782 7.169 ( 10.455 7.895 -13.679) 18.941 7.555 ( 6.399 -1.587 3.562) 7.494 8.014 ( -3.614 -4.361 22.181) 22.893 8.664 ( -13.665 -10.724 14.464) 22.604======================= Grid point 100 (35/112) =======================q-point: ( 0.29 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.304 ( 22.722 9.074 7.514) 25.595 1.422 ( 21.942 6.458 15.267) 27.500 2.099 ( 6.127 2.241 -5.813) 8.738 2.277 ( 30.838 12.937 15.445) 36.836 2.411 ( -3.896 3.553 5.037) 7.292 2.633 ( -0.248 -3.443 -0.440) 3.479 2.889 ( -12.908 10.278 3.223) 16.811 3.177 ( -6.006 -0.917 2.636) 6.623 3.371 ( 1.784 4.499 3.271) 5.841 3.573 ( -1.661 -0.554 -2.844) 3.339 3.663 ( -0.341 3.729 -1.778) 4.145 3.792 ( -7.321 0.758 -1.305) 7.475 3.894 ( -11.073 1.800 -2.381) 11.469 3.953 ( -5.876 -1.458 -0.326) 6.063 4.214 ( -11.943 1.221 2.094) 12.187 4.326 ( 4.234 4.735 -0.932) 6.420 4.438 ( -2.049 7.944 0.741) 8.238 4.622 ( -5.089 9.845 5.520) 12.381 4.676 ( -9.828 4.096 7.043) 12.766 5.048 ( -15.153 -1.945 4.245) 15.856 5.330 ( -2.621 -4.006 -6.329) 7.935 5.415 ( 1.002 -6.426 -2.227) 6.875 5.797 ( 8.608 -4.345 -9.477) 13.519 5.985 ( 7.646 -10.022 -14.377) 19.121 6.006 ( 5.628 -2.374 0.312) 6.117 6.351 ( 3.634 -7.068 -8.005) 11.281 6.536 ( 1.768 4.246 0.777) 4.665 6.562 ( 4.183 -4.852 -3.853) 7.476 6.703 ( -4.278 -0.191 -12.302) 13.025 6.797 ( -3.718 5.984 -3.665) 7.942 7.008 ( 3.622 3.855 -1.445) 5.483 7.095 ( 2.405 10.372 -9.451) 14.237 7.395 ( 10.926 0.638 -0.745) 10.970 7.739 ( 10.903 -2.888 5.247) 12.440 7.918 ( -5.556 -3.078 20.444) 21.408 8.410 ( -11.126 -5.636 12.293) 17.512======================= Grid point 101 (36/112) =======================q-point: ( 0.43 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( 20.418 2.780 6.072) 21.483 1.848 ( 19.879 3.388 13.447) 24.238 2.070 ( -9.577 -2.901 3.022) 10.453 2.214 ( -14.942 -0.023 12.043) 19.191 2.714 ( 5.024 6.927 -1.066) 8.623 2.753 ( 2.204 4.875 -1.787) 5.641 2.795 ( 13.699 8.899 2.977) 16.605 2.977 ( -10.438 3.481 -0.016) 11.003 3.439 ( 5.626 3.798 0.338) 6.796 3.585 ( -2.983 1.623 -2.320) 4.113 3.637 ( -1.963 1.930 -6.677) 7.222 3.695 ( -3.644 1.394 -1.742) 4.272 3.746 ( 4.991 4.709 1.686) 7.066 3.916 ( -1.304 -0.655 3.358) 3.662 3.955 ( -5.607 -0.356 4.586) 7.252 4.247 ( -20.571 3.027 8.367) 22.413 4.413 ( 2.589 4.796 -0.624) 5.485 4.460 ( -2.434 6.843 -2.584) 7.709 4.649 ( 2.679 8.339 9.637) 13.022 4.755 ( -8.786 5.678 7.964) 13.148 5.371 ( 2.795 -8.319 -3.955) 9.626 5.411 ( -1.174 -8.057 -3.549) 8.882 5.955 ( 6.049 -3.977 -5.766) 9.255 6.027 ( -1.027 -5.474 -1.386) 5.740 6.184 ( 9.167 -5.309 -18.447) 21.273 6.337 ( -4.927 -7.030 -15.466) 17.689 6.574 ( 2.057 3.090 -2.751) 4.621 6.618 ( -1.822 2.133 -9.952) 10.340 6.642 ( 2.430 -1.265 -2.540) 3.735 6.717 ( -4.061 2.769 -2.037) 5.320 7.074 ( 2.683 6.993 -3.936) 8.461 7.111 ( -0.735 7.548 -7.263) 10.501 7.602 ( 9.470 -2.139 9.146) 13.338 7.773 ( -7.335 -3.065 14.838) 16.834 7.982 ( 11.172 -3.065 7.965) 14.059 8.199 ( -10.285 -4.169 9.106) 14.355======================= Grid point 105 (37/112) =======================q-point: ( 0.00 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( 0.000 16.242 22.571) 27.807 1.224 ( 0.000 23.412 11.834) 26.233 1.997 ( 0.000 39.938 15.636) 42.890 2.172 ( 0.000 18.367 -5.455) 19.160 2.568 ( 0.000 2.059 -10.937) 11.129 2.734 ( 0.000 1.743 4.923) 5.223 3.080 ( 0.000 5.811 0.438) 5.828 3.386 ( 0.000 -2.423 0.512) 2.477 3.426 ( 0.000 -8.944 1.743) 9.113 3.588 ( 0.000 -0.068 0.342) 0.349 3.797 ( 0.000 10.473 5.928) 12.034 4.083 ( 0.000 3.792 2.018) 4.295 4.161 ( 0.000 -1.769 -8.783) 8.959 4.201 ( 0.000 2.161 4.663) 5.139 4.366 ( 0.000 1.269 -9.464) 9.548 4.527 ( 0.000 14.483 -6.420) 15.842 4.678 ( 0.000 -2.562 1.116) 2.794 4.870 ( 0.000 -2.765 -1.243) 3.031 4.946 ( 0.000 9.331 4.131) 10.204 5.150 ( 0.000 -6.479 10.640) 12.458 5.252 ( 0.000 -3.358 -5.887) 6.778 5.452 ( 0.000 6.052 -4.408) 7.487 5.564 ( 0.000 -2.842 3.118) 4.218 5.614 ( 0.000 -0.851 -12.549) 12.578 6.002 ( 0.000 -7.821 -1.895) 8.047 6.083 ( 0.000 -4.813 -3.585) 6.002 6.083 ( 0.000 -5.045 -1.241) 5.195 6.602 ( 0.000 -6.190 11.198) 12.795 6.708 ( 0.000 8.616 2.044) 8.855 6.820 ( 0.000 -3.823 -8.263) 9.104 7.085 ( 0.000 3.142 -7.160) 7.819 7.119 ( 0.000 9.409 -6.802) 11.610 7.320 ( 0.000 7.813 -12.279) 14.554 7.472 ( 0.000 -1.107 0.815) 1.374 7.920 ( 0.000 -8.190 21.020) 22.559 8.551 ( 0.000 -12.165 7.959) 14.537======================= Grid point 106 (38/112) =======================q-point: ( 0.14 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( 12.007 16.540 17.293) 26.773 1.308 ( 8.893 19.162 11.487) 24.046 2.169 ( 3.649 17.279 -0.816) 17.679 2.211 ( 13.786 26.960 10.091) 31.917 2.592 ( 1.356 8.200 -6.523) 10.565 2.605 ( -7.125 -0.662 3.398) 7.922 3.151 ( 4.157 5.517 0.560) 6.931 3.303 ( -9.086 -2.758 2.183) 9.743 3.404 ( 0.547 -0.824 2.167) 2.382 3.583 ( -1.201 -2.512 -0.946) 2.941 3.789 ( -0.957 8.013 4.186) 9.091 3.960 ( -9.715 -0.972 -1.471) 9.874 4.045 ( -6.896 2.778 -1.214) 7.533 4.189 ( -9.251 1.293 -2.928) 9.789 4.345 ( 4.827 4.315 -6.240) 8.992 4.492 ( -8.893 6.576 5.466) 12.337 4.625 ( -0.291 2.919 -4.324) 5.225 4.859 ( -3.037 0.612 4.614) 5.557 4.961 ( -2.401 9.342 1.238) 9.725 5.077 ( -4.317 1.183 -2.570) 5.162 5.236 ( 1.579 -5.750 3.661) 6.997 5.505 ( 3.999 -0.430 -14.131) 14.692 5.583 ( 0.419 -2.795 -0.416) 2.857 5.746 ( -8.978 -6.052 -5.684) 12.229 5.809 ( 9.613 -0.070 1.411) 9.716 6.110 ( 4.698 -5.625 -3.718) 8.218 6.266 ( 7.436 -8.518 -2.964) 11.689 6.630 ( 1.182 -3.478 2.403) 4.390 6.736 ( -0.334 6.058 -2.427) 6.534 6.853 ( 6.519 -3.717 0.658) 7.533 7.007 ( -3.686 5.564 -4.156) 7.863 7.232 ( 5.351 7.687 -6.269) 11.270 7.335 ( 2.090 5.905 -11.968) 13.508 7.515 ( 4.589 -2.471 1.917) 5.554 7.897 ( -2.213 -7.286 20.042) 21.439 8.462 ( -7.725 -9.564 8.354) 14.864======================= Grid point 107 (39/112) =======================q-point: ( 0.29 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( 15.134 13.978 8.236) 22.186 1.578 ( 16.672 9.005 14.872) 24.088 2.136 ( -3.342 1.470 -4.117) 5.502 2.389 ( -7.427 1.028 9.182) 11.855 2.642 ( 18.963 17.850 9.106) 27.588 2.730 ( 8.740 9.705 -6.796) 14.722 3.073 ( -10.474 6.659 1.394) 12.489 3.195 ( -3.499 4.380 0.629) 5.641 3.432 ( 2.291 1.776 3.222) 4.335 3.573 ( 2.691 0.585 -1.386) 3.083 3.746 ( -4.236 -0.144 -8.209) 9.239 3.772 ( -6.459 1.147 4.139) 7.756 3.918 ( -4.501 1.579 3.010) 5.640 3.980 ( -10.153 4.471 -3.041) 11.503 4.234 ( -14.437 -0.740 9.897) 17.520 4.455 ( 5.135 7.211 -4.910) 10.124 4.611 ( -2.979 9.323 -3.622) 10.436 4.783 ( -3.166 7.108 6.485) 10.129 4.843 ( -8.860 10.165 -3.486) 13.928 5.012 ( -4.083 -0.516 2.890) 5.029 5.261 ( -0.273 -6.484 0.594) 6.517 5.298 ( -11.240 1.566 1.157) 11.407 5.711 ( 9.551 -3.963 -11.822) 15.706 5.799 ( 6.241 -7.243 -6.746) 11.701 5.988 ( 6.879 -0.523 -1.945) 7.167 6.191 ( 2.297 -9.349 -5.711) 11.194 6.392 ( 5.243 -7.822 -5.768) 11.043 6.621 ( -2.339 -5.388 -8.146) 10.043 6.718 ( 0.589 7.444 -2.037) 7.740 6.928 ( -3.633 5.225 -5.057) 8.128 7.043 ( 9.055 0.912 9.210) 12.948 7.273 ( -0.321 7.029 -5.396) 8.868 7.419 ( 5.441 1.263 -5.564) 7.884 7.661 ( 8.489 -4.926 3.090) 10.289 7.839 ( -2.847 -4.676 16.923) 17.786 8.286 ( -9.022 -6.612 7.686) 13.572======================= Grid point 108 (40/112) =======================q-point: ( 0.43 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( 11.146 1.197 10.184) 15.145 1.876 ( 8.798 -0.683 14.719) 17.161 2.085 ( 0.545 4.385 -0.334) 4.431 2.222 ( -8.864 5.229 7.874) 12.958 2.861 ( 2.386 5.992 -4.913) 8.108 2.899 ( -4.260 7.753 -0.619) 8.868 2.951 ( 8.926 5.627 1.043) 10.603 3.077 ( -5.529 7.006 0.945) 8.975 3.509 ( 5.726 2.193 2.701) 6.700 3.624 ( -1.658 -3.626 -8.782) 9.645 3.648 ( -2.202 5.082 0.671) 5.579 3.754 ( -6.273 4.774 -6.692) 10.341 3.854 ( 4.353 5.817 2.256) 7.608 3.932 ( 9.082 4.497 8.348) 13.130 3.984 ( -6.040 1.432 8.489) 10.516 4.366 ( -22.302 8.985 4.093) 24.389 4.548 ( 3.876 8.666 -3.929) 10.275 4.625 ( -4.709 9.313 -5.794) 11.937 4.828 ( 3.175 8.909 6.867) 11.688 4.911 ( -4.825 8.189 5.562) 11.012 5.214 ( 0.450 -4.559 0.119) 4.582 5.242 ( -1.623 -6.881 -0.486) 7.086 5.864 ( 4.882 -5.047 -6.296) 9.431 5.894 ( 2.123 -7.470 -7.539) 10.823 6.099 ( 4.828 -3.249 -7.630) 9.595 6.184 ( -2.855 -8.074 -9.497) 12.789 6.484 ( 4.020 -6.625 -7.899) 11.066 6.558 ( -3.413 -5.429 -9.651) 11.587 6.764 ( 3.487 7.194 -1.261) 8.094 6.846 ( -4.292 6.569 -2.724) 8.306 7.185 ( 4.683 4.094 2.994) 6.904 7.248 ( -2.011 5.685 -2.399) 6.490 7.549 ( 7.209 -3.160 4.475) 9.055 7.686 ( -5.536 -5.642 10.571) 13.200 7.914 ( 9.310 -3.533 5.844) 11.546 8.104 ( -9.115 -5.132 6.096) 12.107======================= Grid point 112 (41/112) =======================q-point: ( 0.00 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( 0.000 22.110 10.177) 24.340 1.682 ( 0.000 23.167 7.376) 24.313 2.505 ( 0.000 15.203 -1.283) 15.257 2.627 ( 0.000 4.608 -7.435) 8.747 2.668 ( 0.000 25.011 11.511) 27.533 2.786 ( 0.000 3.029 1.938) 3.596 3.257 ( 0.000 -6.892 4.903) 8.458 3.291 ( 0.000 16.117 -8.082) 18.029 3.351 ( 0.000 -1.481 -3.473) 3.776 3.528 ( 0.000 -3.610 -0.454) 3.639 3.934 ( 0.000 3.493 2.331) 4.200 4.042 ( 0.000 -9.046 -6.937) 11.400 4.061 ( 0.000 -5.992 5.637) 8.227 4.239 ( 0.000 1.901 4.379) 4.774 4.472 ( 0.000 5.104 -8.325) 9.765 4.559 ( 0.000 -6.534 -4.833) 8.127 4.857 ( 0.000 13.842 -0.095) 13.842 4.862 ( 0.000 4.750 6.000) 7.653 5.035 ( 0.000 -4.947 7.569) 9.042 5.057 ( 0.000 -2.848 2.607) 3.861 5.251 ( 0.000 6.830 -4.791) 8.343 5.535 ( 0.000 0.013 0.602) 0.603 5.591 ( 0.000 5.261 -12.818) 13.856 5.631 ( 0.000 3.727 -7.542) 8.413 5.880 ( 0.000 -3.047 4.018) 5.042 6.009 ( 0.000 -1.506 0.438) 1.568 6.014 ( 0.000 -2.945 -2.860) 4.105 6.438 ( 0.000 -9.058 12.979) 15.828 6.729 ( 0.000 -2.643 -13.362) 13.621 6.904 ( 0.000 8.435 -0.673) 8.462 7.151 ( 0.000 3.229 0.546) 3.275 7.255 ( 0.000 4.131 -5.936) 7.232 7.391 ( 0.000 0.378 -5.552) 5.565 7.452 ( 0.000 -0.717 -0.741) 1.031 7.750 ( 0.000 -8.834 18.544) 20.541 8.339 ( 0.000 -10.347 2.405) 10.623======================= Grid point 113 (42/112) =======================q-point: ( 0.14 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 8.614 19.234 9.147) 22.974 1.712 ( 3.331 21.321 7.313) 22.785 2.365 ( -10.256 7.062 -2.772) 12.757 2.635 ( -5.886 8.053 2.268) 10.230 2.747 ( 7.961 15.388 3.715) 17.719 2.775 ( 3.188 10.010 1.543) 10.618 3.204 ( -4.046 -5.502 1.607) 7.016 3.332 ( 1.668 5.068 -1.876) 5.655 3.421 ( 5.995 10.262 -6.678) 13.633 3.526 ( 1.165 -2.020 2.368) 3.324 3.827 ( -9.040 -4.877 -9.750) 14.163 3.949 ( -4.995 2.675 9.248) 10.846 4.048 ( -4.905 -4.756 0.425) 6.845 4.230 ( -4.485 1.450 5.878) 7.534 4.410 ( -4.124 -0.476 -1.684) 4.480 4.468 ( -4.780 -0.679 -1.876) 5.180 4.781 ( -3.416 3.027 -5.107) 6.849 4.891 ( 2.261 6.913 5.810) 9.309 5.083 ( -1.772 -1.102 1.867) 2.800 5.141 ( -2.092 3.847 -2.107) 4.859 5.174 ( 4.287 3.598 -3.914) 6.830 5.556 ( -2.081 0.834 -1.430) 2.659 5.574 ( 2.776 6.092 -9.911) 11.960 5.714 ( -2.049 3.490 0.142) 4.049 5.828 ( 6.159 1.983 1.356) 6.610 5.993 ( -0.400 -5.557 -1.855) 5.872 6.119 ( 6.306 -6.505 -2.761) 9.471 6.483 ( 2.554 -8.562 5.547) 10.516 6.766 ( 2.924 -2.165 -7.492) 8.329 6.917 ( 2.586 7.674 -1.239) 8.192 7.096 ( -3.005 3.600 1.809) 5.026 7.350 ( 5.545 4.031 -4.713) 8.320 7.385 ( -0.036 -0.198 -5.727) 5.730 7.465 ( 1.905 -2.341 -0.023) 3.018 7.747 ( -0.363 -7.815 16.810) 18.541 8.284 ( -5.067 -9.128 2.623) 10.765======================= Grid point 114 (43/112) =======================q-point: ( 0.29 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( 4.868 9.315 9.378) 14.086 1.839 ( 7.283 14.841 9.099) 18.871 2.176 ( -5.263 4.721 -2.167) 7.395 2.497 ( -5.846 8.650 2.598) 10.758 2.862 ( 3.683 4.079 1.575) 5.717 2.908 ( 6.605 8.004 1.409) 10.473 3.122 ( -3.284 0.770 -0.443) 3.402 3.308 ( -5.308 1.138 -3.945) 6.711 3.464 ( 1.651 2.139 0.327) 2.722 3.601 ( -4.007 -1.639 -10.113) 11.001 3.752 ( 9.436 6.012 0.346) 11.194 3.851 ( -2.929 9.833 3.717) 10.912 3.936 ( -4.553 -1.433 5.112) 6.994 4.070 ( -8.606 3.882 1.665) 9.587 4.175 ( -13.010 -4.421 12.286) 18.432 4.569 ( 7.397 3.708 -5.458) 9.912 4.740 ( -0.743 2.480 -6.935) 7.403 4.918 ( -0.554 5.191 4.830) 7.112 4.952 ( -9.151 2.586 0.177) 9.511 5.039 ( -7.475 0.333 -7.452) 10.560 5.259 ( 1.753 9.381 -0.795) 9.576 5.427 ( -5.837 9.101 4.523) 11.720 5.693 ( 5.720 3.977 -9.204) 11.543 5.724 ( 3.302 0.039 0.704) 3.376 5.977 ( 5.487 -1.415 -0.716) 5.711 6.006 ( 1.895 -8.514 -3.143) 9.271 6.239 ( 5.522 -7.838 -6.205) 11.421 6.495 ( -1.331 -6.826 -3.929) 7.987 6.808 ( 1.819 1.717 -1.273) 2.806 6.992 ( -0.275 2.377 -2.381) 3.376 7.095 ( 6.365 4.014 6.934) 10.233 7.355 ( -1.341 0.884 -3.090) 3.482 7.431 ( 1.770 0.435 -2.831) 3.367 7.560 ( 5.295 -4.920 1.334) 7.350 7.745 ( 1.215 -4.962 10.922) 12.058 8.156 ( -7.162 -6.992 2.588) 10.338======================= Grid point 115 (44/112) =======================q-point: ( 0.43 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( 1.855 0.261 12.050) 12.195 1.854 ( -3.108 -0.398 12.105) 12.504 2.254 ( 9.117 11.950 -1.529) 15.108 2.403 ( -4.880 10.590 0.275) 11.664 2.908 ( 2.555 -0.411 0.896) 2.738 2.983 ( -1.213 0.621 5.035) 5.216 3.074 ( 0.392 6.534 -5.607) 8.619 3.167 ( -6.825 2.264 -4.054) 8.254 3.540 ( 4.892 2.530 -2.184) 5.925 3.566 ( 1.505 -1.598 -10.092) 10.328 3.745 ( -1.939 3.253 2.797) 4.707 3.827 ( -8.151 1.412 -1.390) 8.388 3.888 ( -0.375 -1.499 6.560) 6.739 3.956 ( -7.199 -2.978 10.270) 12.890 4.185 ( 19.559 18.927 4.008) 27.511 4.591 ( -17.237 12.352 0.312) 21.208 4.712 ( 3.057 7.569 -2.359) 8.497 4.761 ( -1.673 3.162 -6.179) 7.140 4.902 ( 0.151 -2.740 3.480) 4.432 4.946 ( -3.240 -1.254 -4.352) 5.569 5.282 ( 1.714 12.041 4.030) 12.813 5.339 ( -3.584 13.329 2.819) 14.088 5.777 ( 2.453 -1.630 -7.624) 8.173 5.785 ( 1.736 -3.420 -3.257) 5.032 6.038 ( 1.581 -5.903 -2.733) 6.694 6.047 ( 0.935 -3.191 -2.830) 4.367 6.346 ( 5.127 -7.225 -7.644) 11.701 6.440 ( -3.908 -6.291 -7.000) 10.191 6.862 ( 3.418 2.829 -0.324) 4.449 6.937 ( -3.698 2.769 -0.351) 4.633 7.246 ( 5.892 2.595 4.327) 7.757 7.321 ( -2.227 1.771 -0.457) 2.881 7.484 ( 3.947 -3.343 1.878) 5.504 7.571 ( -3.473 -5.600 6.572) 9.307 7.845 ( 7.633 -3.856 2.174) 8.824 8.004 ( -7.761 -5.311 1.883) 9.591======================= Grid point 119 (45/112) =======================q-point: ( 0.00 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 0.000 21.896 1.827) 21.972 2.110 ( 0.000 20.320 5.682) 21.099 2.703 ( 0.000 3.358 -6.048) 6.918 2.739 ( 0.000 6.688 2.956) 7.312 2.822 ( 0.000 1.435 -5.476) 5.661 2.978 ( 0.000 7.926 5.370) 9.574 3.201 ( 0.000 2.431 11.158) 11.420 3.345 ( 0.000 1.002 -9.031) 9.086 3.469 ( 0.000 -1.287 8.995) 9.086 3.588 ( 0.000 8.424 -11.438) 14.205 3.854 ( 0.000 -9.266 -7.224) 11.749 3.861 ( 0.000 -8.355 -0.216) 8.358 4.111 ( 0.000 10.724 5.915) 12.247 4.304 ( 0.000 3.264 4.382) 5.464 4.397 ( 0.000 -9.909 -7.668) 12.530 4.451 ( 0.000 -0.667 1.966) 2.076 4.867 ( 0.000 -9.577 -0.864) 9.616 4.973 ( 0.000 -0.760 3.551) 3.631 5.026 ( 0.000 7.762 4.126) 8.790 5.110 ( 0.000 6.360 -0.373) 6.371 5.335 ( 0.000 -0.757 -2.532) 2.643 5.591 ( 0.000 5.816 1.260) 5.951 5.615 ( 0.000 -3.556 -8.723) 9.420 5.751 ( 0.000 8.817 -7.868) 11.817 5.855 ( 0.000 -1.783 -0.684) 1.910 6.015 ( 0.000 5.471 4.230) 6.916 6.023 ( 0.000 -0.187 -1.371) 1.383 6.301 ( 0.000 -2.759 13.198) 13.483 6.747 ( 0.000 5.060 -12.149) 13.161 7.048 ( 0.000 6.700 -0.855) 6.754 7.202 ( 0.000 2.006 2.988) 3.600 7.267 ( 0.000 -3.093 -5.605) 6.402 7.361 ( 0.000 -2.546 -3.423) 4.266 7.452 ( 0.000 0.437 -0.551) 0.703 7.594 ( 0.000 -6.652 14.685) 16.122 8.126 ( 0.000 -11.851 -0.304) 11.855======================= Grid point 120 (46/112) =======================q-point: ( 0.14 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.963 ( 1.460 18.214 1.954) 18.377 2.115 ( 0.853 19.350 6.508) 20.433 2.487 ( -11.913 6.425 -2.015) 13.685 2.772 ( -5.157 4.185 -3.598) 7.553 2.859 ( 3.344 1.122 -0.249) 3.536 2.995 ( 1.557 8.514 5.338) 10.169 3.128 ( -3.725 -1.307 6.511) 7.614 3.338 ( -0.703 -0.122 -6.158) 6.199 3.469 ( -0.617 -1.844 -1.530) 2.475 3.680 ( -0.023 0.697 -5.022) 5.070 3.702 ( -0.987 -0.985 -5.540) 5.713 3.914 ( -0.350 -6.572 1.426) 6.734 4.103 ( -1.309 9.246 2.904) 9.779 4.285 ( -6.668 -2.018 8.407) 10.919 4.338 ( -3.405 6.461 6.070) 9.496 4.441 ( 3.000 -3.331 -3.533) 5.708 4.760 ( -4.691 -5.355 -4.539) 8.443 4.949 ( -1.189 -1.443 -5.188) 5.515 5.054 ( -0.278 1.362 0.136) 1.397 5.200 ( -7.097 2.193 0.296) 7.434 5.309 ( 11.644 5.450 -0.098) 12.857 5.597 ( 0.810 0.987 -3.710) 3.923 5.720 ( 5.055 6.996 -1.470) 8.755 5.789 ( 3.306 3.015 -4.080) 6.055 5.875 ( 1.825 2.016 2.995) 4.045 5.936 ( -4.753 1.354 -2.636) 5.601 6.042 ( 1.739 -1.502 0.888) 2.463 6.361 ( 3.780 -2.015 9.946) 10.829 6.780 ( 2.941 4.072 -9.931) 11.129 7.044 ( 0.087 5.673 -1.234) 5.806 7.142 ( -2.687 0.948 2.644) 3.887 7.345 ( 0.367 -2.836 -3.749) 4.715 7.373 ( 5.370 -1.738 -3.078) 6.429 7.446 ( -0.475 0.324 -0.635) 0.857 7.604 ( 0.893 -6.460 12.775) 14.344 8.090 ( -3.403 -11.067 -0.265) 11.581======================= Grid point 121 (47/112) =======================q-point: ( 0.29 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( -4.324 9.631 4.449) 11.456 2.076 ( -7.409 10.494 9.919) 16.230 2.367 ( 2.602 13.093 -3.627) 13.833 2.643 ( -6.152 4.238 -0.623) 7.496 2.873 ( -0.679 -2.736 1.164) 3.050 2.988 ( -1.667 1.418 5.603) 6.015 3.155 ( 4.158 2.579 -0.461) 4.914 3.288 ( -4.413 -0.965 -6.543) 7.950 3.477 ( 1.792 -2.824 -10.281) 10.812 3.556 ( -2.249 0.413 -3.760) 4.401 3.809 ( 1.668 1.678 -0.572) 2.435 3.865 ( -3.576 -3.729 4.297) 6.720 4.023 ( -7.203 0.795 -0.767) 7.287 4.081 ( -10.649 -2.543 14.596) 18.246 4.350 ( 6.976 23.161 5.386) 24.781 4.575 ( 7.701 -2.247 2.730) 8.474 4.729 ( 1.305 -3.542 -9.605) 10.321 4.910 ( -4.414 -5.661 -8.636) 11.230 4.966 ( -4.677 0.610 -0.771) 4.779 5.081 ( -6.441 3.951 -1.027) 7.626 5.503 ( 6.204 9.732 -5.481) 12.777 5.634 ( 0.300 11.646 5.778) 13.004 5.729 ( -1.263 4.121 -0.940) 4.412 5.836 ( 0.828 -6.654 1.716) 6.922 5.872 ( 2.064 7.078 0.279) 7.378 5.972 ( 3.504 -0.209 -1.060) 3.667 6.106 ( 4.848 -5.240 -3.426) 7.918 6.400 ( -0.326 -1.432 3.800) 4.074 6.841 ( 2.819 2.922 -4.956) 6.407 7.031 ( -2.333 1.977 0.841) 3.171 7.161 ( 5.352 2.081 1.697) 5.988 7.332 ( -0.702 -1.578 -2.884) 3.362 7.429 ( -0.670 -1.630 -0.039) 1.763 7.490 ( 3.405 -1.894 0.184) 3.901 7.638 ( 3.279 -6.188 6.208) 9.359 7.999 ( -5.312 -9.334 -0.426) 10.748======================= Grid point 122 (48/112) =======================q-point: ( 0.43 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( -1.358 5.070 8.426) 9.927 1.910 ( -6.678 6.268 10.683) 14.072 2.467 ( 4.945 7.558 -3.102) 9.550 2.550 ( -3.613 2.526 -1.612) 4.694 2.879 ( 1.958 -1.705 3.486) 4.346 2.942 ( -3.242 -1.977 5.159) 6.406 3.194 ( 0.204 5.332 -5.503) 7.665 3.217 ( -1.957 2.666 -7.957) 8.617 3.546 ( 6.143 -1.003 -11.004) 12.643 3.623 ( 5.924 4.212 -3.290) 7.979 3.721 ( -6.347 -4.814 -2.990) 8.509 3.827 ( -10.076 -2.420 4.564) 11.323 3.858 ( 1.302 2.812 8.663) 9.201 3.924 ( -5.173 1.133 9.953) 11.274 4.571 ( 12.665 17.499 1.273) 21.639 4.698 ( 4.543 -2.430 2.526) 5.738 4.778 ( -3.373 2.769 -8.929) 9.938 4.798 ( -3.402 -6.308 -0.212) 7.170 4.873 ( -2.102 4.415 -1.845) 5.227 4.954 ( -5.268 2.175 -3.460) 6.667 5.550 ( 0.046 11.828 -1.561) 11.931 5.577 ( -3.079 12.289 1.379) 12.744 5.773 ( 4.158 2.081 0.270) 4.657 5.844 ( -1.916 4.790 0.658) 5.201 5.934 ( 4.133 -3.624 2.042) 5.864 5.995 ( -1.234 -2.566 0.211) 2.855 6.230 ( 6.695 -3.790 -4.226) 8.777 6.348 ( -4.550 -1.957 -0.938) 5.041 6.901 ( 3.268 2.304 -1.813) 4.390 6.970 ( -3.389 1.611 0.263) 3.762 7.283 ( 4.635 0.526 0.843) 4.741 7.322 ( -0.401 -0.748 -1.825) 2.013 7.428 ( 1.416 -2.385 1.785) 3.298 7.486 ( -2.848 -2.755 4.952) 6.342 7.749 ( 6.688 -6.343 -0.486) 9.230 7.882 ( -6.276 -7.605 -0.899) 9.901======================= Grid point 126 (49/112) =======================q-point: ( 0.00 0.42 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.312 ( 0.000 16.386 -2.127) 16.524 2.461 ( 0.000 15.236 4.290) 15.828 2.709 ( 0.000 -5.234 -2.339) 5.733 2.746 ( 0.000 0.785 -4.683) 4.748 2.896 ( 0.000 2.791 1.518) 3.177 3.017 ( 0.000 -3.083 5.951) 6.702 3.328 ( 0.000 7.951 9.276) 12.217 3.392 ( 0.000 4.075 -11.775) 12.460 3.466 ( 0.000 0.166 8.061) 8.063 3.611 ( 0.000 -5.336 -1.310) 5.494 3.761 ( 0.000 3.185 -15.651) 15.972 3.766 ( 0.000 -0.020 5.903) 5.903 4.149 ( 0.000 -11.912 0.372) 11.917 4.178 ( 0.000 -12.323 -11.592) 16.918 4.291 ( 0.000 6.541 3.763) 7.546 4.657 ( 0.000 -11.178 1.886) 11.336 4.739 ( 0.000 20.954 10.120) 23.270 5.008 ( 0.000 4.335 -1.529) 4.597 5.145 ( 0.000 5.873 2.767) 6.492 5.165 ( 0.000 -0.860 0.479) 0.985 5.252 ( 0.000 -6.445 -5.056) 8.192 5.490 ( 0.000 -8.374 1.624) 8.530 5.719 ( 0.000 6.363 0.809) 6.414 5.804 ( 0.000 -2.251 -6.810) 7.172 5.847 ( 0.000 -0.847 -8.657) 8.698 5.948 ( 0.000 -5.770 0.326) 5.780 6.219 ( 0.000 13.117 10.803) 16.993 6.378 ( 0.000 8.265 5.832) 10.115 6.851 ( 0.000 3.251 -4.458) 5.517 7.141 ( 0.000 -9.267 -7.211) 11.742 7.194 ( 0.000 6.625 -2.353) 7.031 7.262 ( 0.000 7.470 0.290) 7.476 7.312 ( 0.000 -2.460 -1.554) 2.910 7.456 ( 0.000 -0.178 0.347) 0.390 7.508 ( 0.000 -1.933 10.045) 10.230 7.870 ( 0.000 -14.400 -0.799) 14.422======================= Grid point 127 (50/112) =======================q-point: ( 0.14 0.42 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.279 ( -4.414 14.017 -1.127) 14.739 2.442 ( -3.040 13.936 5.938) 15.450 2.633 ( -5.316 7.785 -3.915) 10.207 2.711 ( -2.589 -8.098 -3.683) 9.265 2.874 ( -3.244 -0.132 3.355) 4.668 3.055 ( 3.466 -3.704 4.712) 6.924 3.179 ( -9.475 6.026 6.003) 12.733 3.354 ( -5.829 0.228 2.877) 6.505 3.419 ( -0.660 -1.340 -12.338) 12.428 3.581 ( -2.615 -4.690 -4.866) 7.246 3.797 ( 6.298 7.268 -0.180) 9.619 3.857 ( 1.537 0.980 -0.435) 1.874 4.115 ( -3.843 -7.722 -1.516) 8.757 4.181 ( -1.631 -4.187 -0.545) 4.527 4.329 ( 5.133 -1.797 4.752) 7.222 4.585 ( -4.125 -9.036 -0.356) 9.939 4.740 ( 0.665 18.559 4.709) 19.159 4.952 ( -4.033 1.735 -9.189) 10.184 5.092 ( -4.451 3.319 0.126) 5.554 5.223 ( -2.216 0.822 1.083) 2.600 5.344 ( 11.426 -1.385 0.960) 11.550 5.508 ( 4.204 -8.491 2.926) 9.917 5.790 ( -1.307 -1.219 -10.265) 10.420 5.817 ( 6.695 3.586 0.840) 7.641 5.880 ( 3.687 -1.316 -3.637) 5.344 5.971 ( 1.533 -4.522 0.648) 4.818 6.153 ( -5.029 14.792 9.485) 18.277 6.418 ( 2.186 5.111 8.196) 9.903 6.868 ( 1.674 3.275 -4.796) 6.043 7.117 ( -0.135 -3.417 -5.072) 6.117 7.197 ( -1.808 9.746 -2.930) 10.336 7.296 ( 2.565 -0.880 -1.640) 3.169 7.327 ( 2.441 -2.338 -1.251) 3.604 7.444 ( -0.934 -0.770 0.578) 1.341 7.517 ( 0.574 -1.882 8.653) 8.874 7.848 ( -2.152 -13.739 -0.874) 13.934======================= Grid point 128 (51/112) =======================q-point: ( 0.29 0.42 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.129 ( -8.735 11.100 2.183) 14.292 2.291 ( -10.793 11.388 7.361) 17.330 2.548 ( -4.726 -0.233 -1.735) 5.040 2.614 ( -7.286 -5.161 -1.772) 9.103 2.831 ( 1.931 2.824 3.860) 5.158 3.036 ( -3.950 3.360 1.372) 5.364 3.146 ( 4.203 -4.486 0.103) 6.148 3.257 ( -2.548 -4.058 -1.395) 4.990 3.448 ( 3.258 2.393 -10.641) 11.383 3.559 ( 0.558 -0.821 -2.155) 2.373 3.809 ( -4.979 -0.382 -5.192) 7.204 3.869 ( -1.644 0.572 4.724) 5.034 4.025 ( -3.016 3.117 0.755) 4.403 4.120 ( -3.472 6.812 7.737) 10.877 4.452 ( 5.412 -7.934 3.667) 10.280 4.572 ( 2.837 -10.387 -3.416) 11.296 4.776 ( 2.701 12.280 -2.732) 12.867 4.859 ( -4.456 0.905 -11.584) 12.445 4.989 ( -4.709 4.253 0.998) 6.423 5.140 ( -5.864 1.760 1.267) 6.252 5.559 ( 9.167 -1.568 -2.789) 9.709 5.659 ( 8.662 -6.512 3.782) 11.478 5.769 ( 0.595 4.390 -4.727) 6.479 5.925 ( 2.411 0.602 0.628) 2.563 5.973 ( 0.789 -0.653 2.577) 2.773 5.992 ( 2.481 3.819 3.700) 5.868 6.056 ( -1.787 8.693 3.534) 9.553 6.423 ( -2.020 0.588 8.863) 9.109 6.916 ( 2.985 4.612 -4.824) 7.312 7.135 ( -3.463 9.298 -3.314) 10.460 7.163 ( 3.863 -1.798 -4.291) 6.048 7.324 ( 1.162 0.684 -0.864) 1.602 7.379 ( -0.277 -2.857 -0.323) 2.889 7.458 ( 3.482 -3.091 -1.446) 4.875 7.525 ( 0.559 -3.328 6.430) 7.262 7.789 ( -3.535 -12.040 -1.119) 12.598======================= Grid point 129 (52/112) =======================q-point: ( 0.43 0.42 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.008 ( -1.731 10.469 5.648) 12.020 2.079 ( -8.295 10.472 7.442) 15.293 2.462 ( -2.409 -8.301 0.306) 8.649 2.481 ( -4.351 -7.634 1.032) 8.847 2.913 ( 4.393 6.077 1.077) 7.576 2.981 ( -2.406 5.066 0.332) 5.618 3.207 ( 1.766 -4.344 -4.148) 6.261 3.230 ( -0.830 -3.337 -4.518) 5.678 3.545 ( 5.595 1.795 -6.577) 8.819 3.605 ( 3.001 -1.527 2.911) 4.451 3.695 ( -4.196 -0.657 -5.590) 7.020 3.764 ( -6.735 -3.556 1.466) 7.756 4.011 ( 0.809 11.383 1.973) 11.581 4.052 ( -3.084 12.690 5.810) 14.294 4.542 ( 4.065 -10.711 -3.036) 11.852 4.610 ( -1.541 -12.105 -2.034) 12.371 4.828 ( 3.176 2.932 -5.859) 7.281 4.851 ( 3.834 5.881 -3.327) 7.769 4.911 ( -2.861 2.465 -0.476) 3.806 4.998 ( -7.694 0.877 -0.407) 7.755 5.715 ( 6.535 5.462 -1.955) 8.739 5.780 ( 3.589 0.803 0.890) 3.784 5.843 ( 3.583 0.703 0.530) 3.690 5.872 ( -5.504 8.201 3.346) 10.428 5.932 ( -1.033 2.416 4.089) 4.860 5.971 ( -2.417 3.684 4.447) 6.260 6.187 ( 8.603 -3.013 2.354) 9.414 6.339 ( -6.087 -1.956 6.638) 9.217 6.983 ( 3.563 6.587 -4.617) 8.798 7.058 ( -3.836 8.279 -4.078) 9.994 7.248 ( 3.811 -3.426 -3.734) 6.340 7.314 ( -2.651 -1.468 -1.951) 3.604 7.397 ( 3.305 0.042 2.213) 3.978 7.465 ( -2.577 0.464 3.421) 4.308 7.599 ( 5.624 -8.559 -0.828) 10.275 7.706 ( -4.729 -10.111 -1.377) 11.246======================= Grid point 133 (53/112) =======================q-point: ( 0.00 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.556 ( 0.000 -8.542 -3.873) 9.379 2.556 ( 0.000 8.542 -3.873) 9.379 2.704 ( 0.000 -6.239 0.768) 6.286 2.704 ( 0.000 6.239 0.768) 6.286 2.935 ( 0.000 -2.975 5.291) 6.070 2.935 ( 0.000 2.975 5.291) 6.070 3.433 ( 0.000 -3.618 2.137) 4.202 3.433 ( 0.000 3.618 2.137) 4.202 3.498 ( 0.000 -5.488 -1.475) 5.683 3.498 ( 0.000 5.488 -1.475) 5.683 3.869 ( 0.000 -4.815 -2.089) 5.248 3.869 ( 0.000 4.815 -2.089) 5.248 3.955 ( 0.000 -4.947 -8.104) 9.495 3.955 ( 0.000 4.947 -8.104) 9.495 4.450 ( 0.000 -9.618 4.627) 10.673 4.450 ( 0.000 9.618 4.627) 10.673 5.059 ( 0.000 -10.641 2.339) 10.895 5.059 ( 0.000 10.641 2.339) 10.895 5.122 ( 0.000 -6.486 -4.043) 7.643 5.122 ( 0.000 6.486 -4.043) 7.643 5.303 ( 0.000 -10.227 6.817) 12.291 5.303 ( 0.000 10.227 6.817) 12.291 5.795 ( 0.000 -2.002 -11.696) 11.866 5.795 ( 0.000 2.002 -11.696) 11.866 5.837 ( 0.000 -5.625 2.488) 6.151 5.837 ( 0.000 5.625 2.488) 6.151 6.430 ( 0.000 -5.803 10.330) 11.848 6.430 ( 0.000 5.803 10.330) 11.848 6.946 ( 0.000 -8.831 -6.625) 11.040 6.946 ( 0.000 8.831 -6.625) 11.040 7.263 ( 0.000 -2.617 -0.990) 2.798 7.263 ( 0.000 2.617 -0.990) 2.798 7.437 ( 0.000 -3.064 -1.120) 3.263 7.437 ( 0.000 3.064 -1.120) 3.263 7.584 ( 0.000 -12.961 3.129) 13.334 7.584 ( 0.000 12.961 3.129) 13.334======================= Grid point 135 (54/112) =======================q-point: ( 0.14 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.516 ( -4.996 -10.587 -2.645) 12.002 2.516 ( -4.996 10.587 -2.645) 12.002 2.660 ( -4.583 -6.629 1.379) 8.176 2.660 ( -4.583 6.629 1.379) 8.176 2.930 ( 0.449 -7.114 4.377) 8.365 2.930 ( 0.449 7.114 4.377) 8.365 3.284 ( -10.375 -4.805 2.398) 11.682 3.284 ( -10.375 4.805 2.398) 11.682 3.488 ( 0.699 -5.049 -5.757) 7.689 3.488 ( 0.699 5.049 -5.757) 7.689 3.925 ( -2.615 -3.182 -1.195) 4.289 3.925 ( -2.615 3.182 -1.195) 4.289 4.022 ( 9.435 -7.537 -4.108) 12.756 4.022 ( 9.435 7.537 -4.108) 12.756 4.408 ( -2.964 -7.855 5.605) 10.095 4.408 ( -2.964 7.855 5.605) 10.095 4.951 ( -5.211 -3.712 -7.760) 10.057 4.951 ( -5.211 3.712 -7.760) 10.057 5.229 ( -2.559 -5.068 3.179) 6.507 5.229 ( -2.559 5.068 3.179) 6.507 5.326 ( 9.666 -6.057 5.232) 12.550 5.326 ( 9.666 6.057 5.232) 12.550 5.813 ( 2.117 -3.583 -8.746) 9.685 5.813 ( 2.117 3.583 -8.746) 9.685 5.888 ( 3.813 -3.838 1.904) 5.735 5.888 ( 3.813 3.838 1.904) 5.735 6.401 ( -2.800 -8.394 10.468) 13.707 6.401 ( -2.800 8.394 10.468) 13.707 6.977 ( 2.894 -8.639 -6.626) 11.265 6.977 ( 2.894 8.639 -6.626) 11.265 7.282 ( 1.889 -1.855 -0.908) 2.799 7.282 ( 1.889 1.855 -0.908) 2.799 7.412 ( -2.378 -4.169 -1.424) 5.007 7.412 ( -2.378 4.169 -1.424) 5.007 7.582 ( -0.269 -11.095 2.838) 11.455 7.582 ( -0.269 11.095 2.838) 11.455======================= Grid point 137 (55/112) =======================q-point: ( 0.29 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.362 ( -8.561 -12.386 0.496) 15.065 2.362 ( -8.561 12.386 0.496) 15.065 2.497 ( -10.922 -8.871 3.793) 14.573 2.497 ( -10.922 8.871 3.793) 14.573 2.979 ( 4.054 -9.031 0.419) 9.908 2.979 ( 4.054 9.031 0.419) 9.908 3.148 ( -3.063 -5.557 -0.547) 6.369 3.148 ( -3.063 5.557 -0.547) 6.369 3.521 ( 2.619 -3.366 -4.237) 6.011 3.521 ( 2.619 3.366 -4.237) 6.011 3.829 ( -6.346 -2.577 -0.032) 6.850 3.829 ( -6.346 2.577 -0.032) 6.850 4.179 ( 5.748 -8.395 -4.152) 10.989 4.179 ( 5.748 8.395 -4.152) 10.989 4.374 ( -0.520 -7.682 6.429) 10.031 4.374 ( -0.520 7.682 6.429) 10.031 4.864 ( -2.886 -1.625 -10.268) 10.789 4.864 ( -2.886 1.625 -10.268) 10.789 5.125 ( -6.474 -4.556 2.286) 8.240 5.125 ( -6.474 4.556 2.286) 8.240 5.554 ( 11.132 -2.837 2.776) 11.818 5.554 ( 11.132 2.837 2.776) 11.818 5.887 ( 4.378 -6.443 -2.393) 8.149 5.887 ( 4.378 6.443 -2.393) 8.149 5.948 ( 2.281 -0.533 1.493) 2.777 5.948 ( 2.281 0.533 1.493) 2.777 6.321 ( -4.952 -11.037 10.218) 15.835 6.321 ( -4.952 11.037 10.218) 15.835 7.052 ( 4.247 -8.161 -6.521) 11.276 7.052 ( 4.247 8.161 -6.521) 11.276 7.314 ( -1.535 -4.757 -2.189) 5.457 7.314 ( -1.535 4.757 -2.189) 5.457 7.371 ( 1.287 -4.626 -0.597) 4.838 7.371 ( 1.287 4.626 -0.597) 4.838 7.569 ( -1.161 -8.215 2.112) 8.561 7.569 ( -1.161 8.215 2.112) 8.561======================= Grid point 139 (56/112) =======================q-point: ( 0.43 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.240 ( -2.233 -12.610 3.022) 13.158 2.240 ( -2.233 12.610 3.022) 13.158 2.294 ( -7.378 -10.971 4.303) 13.904 2.294 ( -7.378 10.971 4.303) 13.904 3.063 ( 3.595 -7.073 -1.632) 8.100 3.063 ( 3.595 7.073 -1.632) 8.100 3.113 ( -1.506 -5.858 -1.545) 6.243 3.113 ( -1.506 5.858 -1.545) 6.243 3.592 ( 4.346 -1.760 -2.064) 5.123 3.592 ( 4.346 1.760 -2.064) 5.123 3.698 ( -6.111 -2.335 -0.179) 6.544 3.698 ( -6.111 2.335 -0.179) 6.544 4.273 ( 4.159 -12.039 -4.359) 13.462 4.273 ( 4.159 12.039 -4.359) 13.462 4.348 ( -2.735 -12.264 1.237) 12.626 4.348 ( -2.735 12.264 1.237) 12.626 4.867 ( 3.480 -1.313 -4.769) 6.048 4.867 ( 3.480 1.313 -4.769) 6.048 4.983 ( -7.108 -2.426 -0.210) 7.513 4.983 ( -7.108 2.426 -0.210) 7.513 5.754 ( 8.446 -1.274 0.930) 8.592 5.754 ( 8.446 1.274 0.930) 8.592 5.885 ( -4.153 -1.018 0.003) 4.276 5.885 ( -4.153 1.018 0.003) 4.276 6.057 ( 7.464 -9.236 4.796) 12.807 6.057 ( 7.464 9.236 4.796) 12.807 6.203 ( -6.681 -11.612 8.423) 15.824 6.203 ( -6.681 11.612 8.423) 15.824 7.140 ( 4.486 -7.746 -5.677) 10.600 7.140 ( 4.486 7.746 -5.677) 10.600 7.234 ( -4.718 -7.176 -4.162) 9.544 7.234 ( -4.718 7.176 -4.162) 9.544 7.449 ( 4.526 -5.349 0.598) 7.032 7.449 ( 4.526 5.349 0.598) 7.032 7.528 ( -3.016 -6.450 1.304) 7.238 7.528 ( -3.016 6.450 1.304) 7.238======================= Grid point 182 (57/112) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 0.000 0.000 18.347) 18.347 1.173 ( 0.000 0.000 28.799) 28.799 1.396 ( 0.000 0.000 -16.399) 16.399 2.107 ( 0.000 0.000 42.163) 42.163 2.245 ( 0.000 0.000 -19.014) 19.014 2.816 ( 0.000 0.000 3.242) 3.242 3.285 ( 0.000 0.000 9.186) 9.186 3.317 ( 0.000 0.000 5.775) 5.775 3.540 ( 0.000 0.000 4.323) 4.323 3.642 ( 0.000 0.000 -0.132) 0.132 3.914 ( 0.000 0.000 -6.410) 6.410 3.933 ( 0.000 0.000 4.760) 4.760 4.041 ( 0.000 0.000 -0.288) 0.288 4.116 ( 0.000 0.000 0.115) 0.115 4.142 ( 0.000 0.000 -1.474) 1.474 4.255 ( 0.000 0.000 -34.451) 34.451 4.322 ( 0.000 0.000 18.593) 18.593 4.752 ( 0.000 0.000 -1.130) 1.130 4.830 ( 0.000 0.000 -2.156) 2.156 5.105 ( 0.000 0.000 -9.956) 9.956 5.523 ( 0.000 0.000 5.055) 5.055 5.561 ( 0.000 0.000 8.198) 8.198 5.645 ( 0.000 0.000 4.548) 4.548 5.910 ( 0.000 0.000 -4.271) 4.271 6.016 ( 0.000 0.000 -2.614) 2.614 6.085 ( 0.000 0.000 -6.026) 6.026 6.257 ( 0.000 0.000 -9.053) 9.053 6.394 ( 0.000 0.000 1.069) 1.069 6.439 ( 0.000 0.000 -0.956) 0.956 6.554 ( 0.000 0.000 -21.436) 21.436 6.766 ( 0.000 0.000 1.281) 1.281 6.822 ( 0.000 0.000 -1.255) 1.255 7.207 ( 0.000 0.000 16.129) 16.129 7.529 ( 0.000 0.000 -0.652) 0.652 8.518 ( 0.000 0.000 18.209) 18.209 9.031 ( 0.000 0.000 -7.670) 7.670======================= Grid point 183 (58/112) =======================q-point: ( 0.14 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.903 ( 20.050 0.000 14.266) 24.607 1.298 ( 12.751 0.000 23.750) 26.956 1.534 ( 12.797 0.000 -15.026) 19.737 2.212 ( 1.029 0.000 -14.836) 14.872 2.303 ( 14.092 0.000 35.264) 37.975 2.815 ( 0.164 0.000 2.637) 2.642 3.170 ( -10.831 0.000 8.572) 13.813 3.350 ( 3.108 0.000 5.150) 6.015 3.427 ( -10.352 0.000 -0.459) 10.362 3.647 ( 0.855 0.000 3.227) 3.339 3.809 ( -10.707 0.000 9.650) 14.414 3.864 ( -4.030 0.000 -4.060) 5.721 4.019 ( -2.115 0.000 -0.541) 2.183 4.162 ( 5.127 0.000 0.396) 5.143 4.195 ( -10.207 0.000 8.294) 13.152 4.226 ( 5.236 0.000 -2.180) 5.672 4.298 ( -0.034 0.000 -22.267) 22.267 4.563 ( -9.290 0.000 -7.641) 12.029 4.975 ( 8.260 0.000 -2.469) 8.621 5.006 ( -6.436 0.000 2.689) 6.975 5.485 ( -5.120 0.000 1.072) 5.231 5.515 ( -10.410 0.000 2.023) 10.605 5.695 ( 10.294 0.000 1.856) 10.460 5.783 ( -14.277 0.000 -6.099) 15.525 6.051 ( 4.419 0.000 -3.438) 5.599 6.119 ( 6.340 0.000 -5.629) 8.478 6.411 ( 1.615 0.000 0.950) 1.874 6.451 ( 1.155 0.000 -0.858) 1.438 6.452 ( 11.292 0.000 -11.609) 16.195 6.575 ( 2.674 0.000 -19.051) 19.238 6.757 ( -0.824 0.000 1.157) 1.420 6.808 ( -1.312 0.000 -1.152) 1.746 7.337 ( 11.616 0.000 14.412) 18.510 7.624 ( 8.817 0.000 0.180) 8.819 8.465 ( -5.023 0.000 17.501) 18.207 8.894 ( -11.693 0.000 -2.648) 11.989======================= Grid point 184 (59/112) =======================q-point: ( 0.29 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.369 ( 24.574 0.000 10.506) 26.725 1.663 ( 21.648 0.000 15.678) 26.729 1.860 ( 17.904 0.000 -12.005) 21.557 2.258 ( 4.605 0.000 -10.663) 11.614 2.626 ( 13.714 0.000 19.471) 23.816 2.831 ( 1.687 0.000 7.266) 7.459 2.882 ( -16.545 0.000 7.520) 18.174 3.160 ( -15.520 0.000 -4.469) 16.150 3.444 ( 6.220 0.000 7.895) 10.051 3.585 ( -9.923 0.000 10.072) 14.140 3.670 ( 1.322 0.000 4.081) 4.290 3.788 ( -3.172 0.000 -0.340) 3.190 3.887 ( -15.999 0.000 1.552) 16.074 3.990 ( -2.509 0.000 0.806) 2.636 4.123 ( -12.082 0.000 -4.813) 13.005 4.270 ( 4.859 0.000 -0.123) 4.861 4.316 ( 3.440 0.000 -1.883) 3.922 4.600 ( 5.634 0.000 -10.907) 12.276 4.851 ( -4.581 0.000 11.931) 12.780 5.126 ( -17.807 0.000 -0.136) 17.807 5.173 ( 2.534 0.000 -2.373) 3.472 5.420 ( -2.358 0.000 -1.805) 2.970 5.607 ( -3.085 0.000 -10.595) 11.035 5.879 ( 4.247 0.000 -14.746) 15.345 6.060 ( -0.965 0.000 -3.618) 3.745 6.210 ( 2.783 0.000 -0.519) 2.831 6.455 ( 2.469 0.000 0.633) 2.549 6.481 ( 1.665 0.000 -0.578) 1.762 6.631 ( 4.982 0.000 -13.227) 14.134 6.666 ( 5.736 0.000 -15.367) 16.402 6.735 ( -1.206 0.000 0.802) 1.448 6.772 ( -2.138 0.000 -0.849) 2.300 7.613 ( 14.465 0.000 12.569) 19.162 7.851 ( 12.609 0.000 1.380) 12.684 8.330 ( -7.923 0.000 15.933) 17.794 8.636 ( -12.833 0.000 2.133) 13.009======================= Grid point 185 (60/112) =======================q-point: ( 0.43 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( 22.336 0.000 7.962) 23.713 2.091 ( 18.672 0.000 12.173) 22.289 2.136 ( 2.097 0.000 -2.792) 3.492 2.323 ( -2.323 0.000 3.448) 4.157 2.608 ( -3.525 0.000 0.915) 3.642 2.781 ( 4.865 0.000 2.951) 5.690 2.822 ( -17.002 0.000 -6.590) 18.234 2.872 ( -0.765 0.000 4.411) 4.476 3.442 ( -0.977 0.000 6.100) 6.177 3.544 ( -5.609 0.000 4.883) 7.436 3.654 ( 2.014 0.000 -0.745) 2.147 3.699 ( 1.574 0.000 3.532) 3.867 3.736 ( -2.118 0.000 2.145) 3.014 3.825 ( -11.677 0.000 -4.877) 12.655 4.132 ( 13.415 0.000 12.542) 18.365 4.343 ( 2.238 0.000 -0.675) 2.338 4.359 ( 0.699 0.000 -1.270) 1.450 4.506 ( -18.709 0.000 15.511) 24.302 4.802 ( 0.131 0.000 8.538) 8.539 4.834 ( -3.593 0.000 3.924) 5.320 5.294 ( 5.702 0.000 -10.180) 11.668 5.380 ( -2.651 0.000 -6.901) 7.393 5.630 ( 5.176 0.000 -20.784) 21.419 5.788 ( -9.012 0.000 -27.373) 28.818 6.138 ( 5.665 0.000 5.051) 7.590 6.220 ( -1.941 0.000 3.284) 3.815 6.500 ( 1.615 0.000 0.226) 1.631 6.509 ( 0.712 0.000 -0.182) 0.735 6.703 ( 2.621 0.000 -14.430) 14.666 6.717 ( -0.336 0.000 0.256) 0.422 6.730 ( 0.432 0.000 -14.485) 14.492 6.731 ( -1.639 0.000 -0.362) 1.679 7.889 ( 12.364 0.000 12.349) 17.475 8.062 ( 1.693 0.000 6.336) 6.558 8.195 ( 0.834 0.000 10.143) 10.177 8.388 ( -11.792 0.000 3.362) 12.262======================= Grid point 189 (61/112) =======================q-point: ( 0.00 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( 0.000 30.783 12.549) 33.243 1.271 ( 0.000 9.689 25.039) 26.848 1.606 ( 0.000 19.307 -12.882) 23.210 2.101 ( 0.000 1.606 28.534) 28.579 2.262 ( 0.000 3.063 -6.323) 7.026 2.819 ( 0.000 0.467 3.990) 4.017 3.203 ( 0.000 -6.292 3.886) 7.395 3.524 ( 0.000 16.524 8.423) 18.547 3.527 ( 0.000 -2.666 6.051) 6.612 3.554 ( 0.000 -7.045 -4.837) 8.546 3.740 ( 0.000 -8.451 -0.997) 8.509 3.979 ( 0.000 -4.769 -10.809) 11.814 4.003 ( 0.000 3.915 0.290) 3.926 4.188 ( 0.000 4.989 1.174) 5.125 4.211 ( 0.000 9.102 -4.345) 10.086 4.416 ( 0.000 5.417 16.561) 17.424 4.442 ( 0.000 14.599 -18.825) 23.822 4.757 ( 0.000 0.029 -0.529) 0.530 4.827 ( 0.000 -0.100 -2.920) 2.922 5.129 ( 0.000 2.303 -10.157) 10.415 5.503 ( 0.000 -6.258 8.445) 10.511 5.512 ( 0.000 -10.070 4.485) 11.024 5.533 ( 0.000 -0.026 2.155) 2.155 5.739 ( 0.000 -10.415 -1.045) 10.467 5.996 ( 0.000 -1.878 -3.181) 3.694 6.058 ( 0.000 -2.429 -5.482) 5.996 6.168 ( 0.000 -6.044 -4.995) 7.841 6.463 ( 0.000 0.086 -11.403) 11.403 6.559 ( 0.000 5.517 -6.700) 8.679 6.687 ( 0.000 15.736 -7.444) 17.408 6.866 ( 0.000 3.727 -0.090) 3.728 6.902 ( 0.000 12.210 -2.348) 12.434 7.186 ( 0.000 -1.828 15.388) 15.496 7.511 ( 0.000 -1.867 -1.154) 2.195 8.455 ( 0.000 -6.259 17.418) 18.508 8.898 ( 0.000 -12.091 -3.794) 12.673======================= Grid point 190 (62/112) =======================q-point: ( 0.14 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 10.406 21.687 13.677) 27.671 1.395 ( 12.522 10.448 20.480) 26.180 1.713 ( 9.789 16.048 -12.256) 22.441 2.199 ( 4.348 0.744 -9.002) 10.024 2.353 ( 12.765 6.157 26.599) 30.139 2.790 ( -2.089 -2.195 5.104) 5.936 3.209 ( -2.348 -1.629 3.865) 4.806 3.369 ( -7.475 3.995 6.808) 10.872 3.477 ( -5.255 1.673 2.660) 6.123 3.622 ( 1.624 2.095 -1.021) 2.840 3.688 ( -5.235 -6.068 1.934) 8.244 3.873 ( -6.882 -2.902 -5.826) 9.472 3.990 ( -2.433 -0.367 -0.996) 2.654 4.160 ( -2.718 0.988 -1.433) 3.228 4.239 ( -1.397 5.708 0.785) 5.928 4.311 ( -2.587 8.795 5.860) 10.880 4.519 ( 3.215 14.919 -13.912) 20.651 4.628 ( -8.664 5.626 -2.789) 10.700 4.942 ( 5.575 -3.227 -4.499) 7.857 5.019 ( -4.454 1.134 2.714) 5.338 5.417 ( -5.359 -7.258 1.986) 9.238 5.424 ( -6.412 -7.378 -0.391) 9.783 5.683 ( 7.432 -2.388 1.745) 7.999 5.701 ( -10.872 -4.889 -6.180) 13.427 5.953 ( 4.174 -5.331 2.898) 7.365 6.085 ( 5.224 -2.796 -4.874) 7.672 6.310 ( 6.392 -7.370 -9.135) 13.365 6.466 ( 0.372 -2.312 -13.316) 13.520 6.553 ( 0.156 7.406 -0.341) 7.416 6.714 ( 1.585 12.844 -7.955) 15.192 6.873 ( 0.983 5.999 -0.998) 6.160 6.915 ( 1.220 12.457 -3.294) 12.942 7.308 ( 11.018 -2.687 13.692) 17.779 7.596 ( 8.098 -2.746 -0.293) 8.556 8.406 ( -4.633 -5.849 16.722) 18.311 8.787 ( -9.697 -9.946 -0.815) 13.914======================= Grid point 191 (63/112) =======================q-point: ( 0.29 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.491 ( 19.041 10.011 10.616) 23.989 1.732 ( 18.918 8.297 14.201) 25.068 1.948 ( 12.215 5.682 -8.474) 15.915 2.319 ( 9.295 7.571 -11.506) 16.616 2.639 ( 8.980 1.980 15.941) 18.403 2.775 ( 2.850 -3.259 11.061) 11.878 2.994 ( -15.006 8.984 7.017) 18.844 3.240 ( -12.869 3.588 2.819) 13.654 3.413 ( 3.625 -0.660 -0.230) 3.692 3.568 ( -4.994 -0.960 4.536) 6.815 3.615 ( -2.528 -2.043 -1.235) 3.478 3.752 ( -4.794 -4.145 -3.259) 7.126 3.905 ( -7.977 0.255 2.199) 8.278 4.019 ( -3.343 4.509 6.782) 8.804 4.191 ( -7.911 5.849 -4.514) 10.825 4.330 ( 1.601 5.234 2.162) 5.885 4.409 ( -1.979 8.346 -2.968) 9.076 4.674 ( 3.256 6.744 -4.947) 8.975 4.864 ( -3.420 0.924 9.569) 10.204 5.134 ( 5.925 -3.138 -4.096) 7.857 5.144 ( -18.142 2.004 1.421) 18.308 5.359 ( -2.145 -5.535 -2.566) 6.467 5.521 ( -1.756 -7.589 -10.803) 13.318 5.815 ( 1.638 -5.348 -13.565) 14.673 6.034 ( 3.055 -1.529 2.150) 4.037 6.156 ( 2.082 -4.086 -2.702) 5.323 6.413 ( 4.213 -7.705 -7.824) 11.761 6.487 ( 1.408 -5.660 -9.802) 11.406 6.568 ( 1.116 8.140 1.976) 8.451 6.713 ( -1.789 6.747 -5.493) 8.882 6.911 ( 2.294 10.313 -4.037) 11.310 6.942 ( 1.250 12.632 -4.842) 13.586 7.573 ( 14.053 -3.869 11.914) 18.826 7.809 ( 11.947 -4.193 0.974) 12.699 8.281 ( -7.415 -4.921 15.154) 17.574 8.563 ( -11.587 -7.015 2.324) 13.743======================= Grid point 192 (64/112) =======================q-point: ( 0.43 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 17.002 2.295 6.122) 18.216 2.031 ( 5.339 -0.479 1.199) 5.492 2.208 ( 14.832 2.848 11.854) 19.199 2.471 ( -4.396 9.960 8.927) 14.079 2.647 ( 2.481 1.931 -2.050) 3.753 2.767 ( -4.484 4.681 3.958) 7.595 2.877 ( 1.589 2.902 1.066) 3.476 2.948 ( -11.760 6.867 -2.478) 13.842 3.444 ( -0.644 0.102 0.565) 0.863 3.509 ( -5.894 -2.802 -2.214) 6.892 3.579 ( 4.032 -2.034 -0.253) 4.523 3.666 ( -4.515 -4.277 -1.083) 6.313 3.803 ( 1.541 6.129 2.924) 6.964 3.932 ( -9.694 8.087 -1.566) 12.721 4.158 ( 12.451 3.159 15.223) 19.918 4.381 ( 1.619 3.469 1.951) 4.296 4.409 ( -0.345 4.325 -2.120) 4.829 4.529 ( -17.077 1.896 15.254) 22.976 4.848 ( 1.436 4.705 7.678) 9.118 4.896 ( -4.303 6.328 4.567) 8.912 5.242 ( 4.610 -4.629 -8.408) 10.648 5.315 ( -2.670 -5.813 -5.790) 8.628 5.580 ( 6.399 -4.727 -21.570) 22.990 5.735 ( -7.628 -4.735 -25.396) 26.936 6.112 ( 4.109 -2.084 4.664) 6.556 6.170 ( -1.169 -3.869 2.831) 4.935 6.481 ( 2.363 -7.225 -6.683) 10.122 6.504 ( 0.030 -6.985 -6.742) 9.708 6.601 ( 2.245 7.527 -0.641) 7.880 6.658 ( -3.177 5.446 -3.309) 7.121 6.946 ( 1.115 11.675 -5.389) 12.907 6.957 ( 0.071 12.024 -5.728) 13.319 7.843 ( 12.073 -4.584 11.638) 17.385 8.006 ( 1.685 -5.578 5.813) 8.231 8.156 ( 0.639 -3.829 9.612) 10.366 8.333 ( -11.095 -5.336 3.232) 12.729======================= Grid point 196 (65/112) =======================q-point: ( 0.00 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 152Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 0.000 16.085 17.599) 23.842 1.562 ( 0.000 16.256 19.413) 25.321 2.043 ( 0.000 23.356 -7.223) 24.448 2.252 ( 0.000 10.864 -11.591) 15.887 2.434 ( 0.000 18.416 18.573) 26.155 2.834 ( 0.000 0.904 4.234) 4.330 3.106 ( 0.000 -2.675 1.304) 2.976 3.360 ( 0.000 -9.652 -4.730) 10.749 3.484 ( 0.000 -3.506 4.082) 5.381 3.612 ( 0.000 -4.021 1.311) 4.229 3.779 ( 0.000 6.740 -5.477) 8.684 3.915 ( 0.000 -1.942 -13.748) 13.884 4.180 ( 0.000 11.738 7.829) 14.109 4.267 ( 0.000 4.255 1.197) 4.420 4.410 ( 0.000 8.940 -5.019) 10.252 4.450 ( 0.000 -1.431 17.580) 17.638 4.736 ( 0.000 2.556 3.336) 4.202 4.778 ( 0.000 14.412 -18.352) 23.334 4.843 ( 0.000 2.479 -1.046) 2.691 5.169 ( 0.000 0.758 -4.794) 4.853 5.324 ( 0.000 -5.958 -3.936) 7.141 5.345 ( 0.000 -8.275 6.694) 10.644 5.547 ( 0.000 0.628 2.130) 2.221 5.597 ( 0.000 -4.922 0.659) 4.966 5.958 ( 0.000 -1.386 -2.211) 2.610 6.009 ( 0.000 -2.068 -3.650) 4.195 6.053 ( 0.000 -5.720 -0.834) 5.781 6.379 ( 0.000 -5.731 -18.184) 19.066 6.737 ( 0.000 9.541 1.772) 9.704 6.911 ( 0.000 -0.729 7.209) 7.246 6.940 ( 0.000 10.591 -9.002) 13.900 7.143 ( 0.000 10.227 -6.342) 12.034 7.169 ( 0.000 1.240 10.327) 10.401 7.462 ( 0.000 -2.841 -2.370) 3.700 8.290 ( 0.000 -10.136 15.634) 18.632 8.630 ( 0.000 -14.226 -0.498) 14.235======================= Grid point 197 (66/112) =======================q-point: ( 0.14 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( 3.342 16.416 14.280) 22.013 1.671 ( 10.131 13.464 19.769) 25.976 2.036 ( -0.991 14.910 -8.489) 17.186 2.332 ( 7.728 12.650 -13.356) 19.953 2.578 ( 12.233 17.258 18.213) 27.914 2.752 ( -5.884 -1.008 7.587) 9.654 3.176 ( 5.280 -0.274 0.951) 5.372 3.331 ( -3.978 -6.650 -0.859) 7.796 3.445 ( -3.117 -2.149 3.253) 4.991 3.593 ( -1.828 -3.099 0.780) 3.681 3.721 ( -6.295 -1.118 -6.113) 8.845 3.879 ( -3.895 5.727 -11.164) 13.138 4.083 ( -6.928 10.514 5.310) 13.665 4.200 ( -4.485 1.569 3.954) 6.182 4.322 ( -4.378 1.785 3.657) 5.977 4.516 ( 2.192 11.242 2.099) 11.644 4.710 ( -4.889 0.771 9.700) 10.889 4.817 ( 2.208 14.368 -9.623) 17.433 4.888 ( 1.813 -0.018 -14.436) 14.549 5.032 ( -5.942 0.063 2.146) 6.318 5.244 ( -2.892 -9.794 -0.385) 10.219 5.316 ( -2.454 -0.656 -1.675) 3.043 5.595 ( -3.717 -3.256 -0.510) 4.968 5.676 ( 2.079 -0.371 -1.617) 2.660 5.891 ( 3.147 -1.393 4.777) 5.887 6.018 ( 3.080 -4.050 -3.841) 6.375 6.172 ( 4.881 -6.357 -5.640) 9.800 6.377 ( 0.090 -5.032 -16.020) 16.792 6.739 ( 0.114 9.639 2.301) 9.910 6.896 ( -1.122 4.733 -1.863) 5.209 7.003 ( 4.681 6.433 -1.080) 8.029 7.147 ( 0.826 9.711 -5.439) 11.161 7.261 ( 8.390 -0.880 8.795) 12.187 7.524 ( 6.124 -4.357 -1.505) 7.665 8.252 ( -3.697 -9.553 14.922) 18.099 8.557 ( -6.652 -12.651 0.520) 14.302======================= Grid point 198 (67/112) =======================q-point: ( 0.29 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 11.984 12.070 8.426) 18.981 1.940 ( 15.543 9.086 19.138) 26.275 2.023 ( 0.439 4.433 -6.983) 8.283 2.545 ( 12.269 12.704 -10.765) 20.684 2.629 ( -5.264 -1.898 12.975) 14.130 2.825 ( 8.912 7.633 6.761) 13.542 3.174 ( -10.580 2.937 6.871) 12.952 3.235 ( -3.863 3.784 5.520) 7.727 3.403 ( 0.942 -2.279 -6.057) 6.540 3.543 ( -4.458 -5.656 -3.043) 7.818 3.581 ( -3.519 1.508 -5.544) 6.737 3.759 ( -5.944 5.381 -6.997) 10.642 3.960 ( -4.899 6.909 5.660) 10.187 4.132 ( -1.014 5.207 14.576) 15.512 4.296 ( -0.567 4.711 -7.761) 9.097 4.444 ( -9.270 5.058 6.433) 12.365 4.582 ( -2.617 8.206 -1.024) 8.674 4.791 ( -5.709 3.047 4.965) 8.157 4.902 ( 2.389 5.141 -2.465) 6.181 5.048 ( 1.142 -4.413 -0.361) 4.572 5.213 ( -0.202 -4.932 -5.741) 7.572 5.288 ( -3.799 8.309 -2.059) 9.365 5.397 ( -4.392 -2.113 -6.147) 7.845 5.719 ( -0.564 -4.044 -10.734) 11.485 6.011 ( 4.770 -1.079 3.725) 6.147 6.067 ( 2.032 -4.865 -1.685) 5.535 6.255 ( 3.945 -7.508 -7.268) 11.169 6.387 ( 0.608 -4.602 -10.799) 11.754 6.744 ( 0.489 8.615 2.169) 8.897 6.859 ( -2.442 6.984 -2.936) 7.960 7.094 ( 3.734 7.524 -2.215) 8.687 7.163 ( 0.514 9.211 -4.937) 10.464 7.479 ( 12.261 -5.101 9.150) 16.127 7.697 ( 10.118 -6.942 -0.137) 12.272 8.150 ( -6.037 -8.094 13.187) 16.609 8.390 ( -9.255 -10.000 1.822) 13.747======================= Grid point 199 (68/112) =======================q-point: ( 0.43 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 10.217 5.269 3.728) 12.085 2.047 ( 0.398 0.890 -1.591) 1.866 2.259 ( 14.940 2.527 19.487) 24.685 2.500 ( -8.410 -2.983 18.167) 20.241 2.767 ( 7.736 7.909 -4.837) 12.075 2.884 ( -4.520 5.004 -0.320) 6.751 3.018 ( -0.948 8.206 3.182) 8.852 3.074 ( -6.773 7.293 -1.334) 10.042 3.401 ( -1.050 -5.594 -9.521) 11.093 3.440 ( -3.949 -5.772 -7.969) 10.602 3.597 ( 1.863 5.315 -4.220) 7.038 3.661 ( -4.499 5.171 -4.496) 8.197 3.951 ( 4.840 8.843 6.349) 11.914 4.114 ( -10.759 8.969 3.088) 14.344 4.236 ( 11.647 4.483 18.355) 22.196 4.450 ( 4.617 2.946 -3.330) 6.410 4.516 ( -7.448 7.055 -0.274) 10.262 4.575 ( -11.962 3.158 13.569) 18.362 4.961 ( 3.145 5.006 4.105) 7.197 5.022 ( -2.783 1.775 4.376) 5.481 5.194 ( -0.206 3.908 -2.731) 4.772 5.215 ( -1.685 -1.651 -2.136) 3.182 5.484 ( 7.885 -3.073 -21.407) 23.019 5.640 ( -6.628 -4.006 -21.155) 22.528 6.070 ( 2.094 -2.244 3.158) 4.403 6.096 ( 0.012 -3.451 2.834) 4.466 6.333 ( 3.463 -6.930 -7.570) 10.832 6.383 ( -1.315 -5.572 -8.236) 10.031 6.764 ( 1.585 8.064 0.622) 8.242 6.807 ( -2.497 7.792 -1.485) 8.316 7.146 ( 1.570 8.386 -3.505) 9.224 7.165 ( -0.367 8.704 -4.194) 9.668 7.721 ( 10.947 -7.438 9.491) 16.286 7.858 ( 1.411 -9.132 4.509) 10.282 8.056 ( 0.618 -6.195 7.840) 10.011 8.198 ( -9.496 -8.009 2.405) 12.653======================= Grid point 203 (69/112) =======================q-point: ( 0.00 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 0.000 12.312 19.566) 23.118 1.874 ( 0.000 18.789 10.994) 21.769 2.429 ( 0.000 8.351 -10.646) 13.531 2.464 ( 0.000 19.193 -3.607) 19.529 2.838 ( 0.000 -0.978 2.980) 3.137 2.863 ( 0.000 16.565 5.233) 17.371 3.133 ( 0.000 6.928 -6.193) 9.293 3.200 ( 0.000 -6.444 -8.451) 10.628 3.421 ( 0.000 -2.193 8.746) 9.017 3.600 ( 0.000 4.065 6.313) 7.508 3.828 ( 0.000 -1.289 -8.832) 8.925 3.887 ( 0.000 -1.233 -7.593) 7.693 4.208 ( 0.000 -2.800 3.117) 4.190 4.394 ( 0.000 -2.014 14.044) 14.187 4.428 ( 0.000 -7.090 -7.329) 10.198 4.459 ( 0.000 7.037 7.372) 10.192 4.849 ( 0.000 9.739 -7.209) 12.116 4.951 ( 0.000 -0.136 -4.884) 4.886 4.958 ( 0.000 8.827 4.080) 9.724 5.208 ( 0.000 -6.093 7.924) 9.995 5.248 ( 0.000 7.823 2.981) 8.372 5.292 ( 0.000 1.881 -17.176) 17.279 5.544 ( 0.000 0.232 0.478) 0.531 5.561 ( 0.000 1.424 -0.266) 1.448 5.933 ( 0.000 -5.458 -3.392) 6.426 5.981 ( 0.000 -1.845 -3.656) 4.095 5.983 ( 0.000 3.552 4.775) 5.951 6.312 ( 0.000 1.361 -13.990) 14.056 6.811 ( 0.000 -6.366 11.485) 13.131 6.920 ( 0.000 7.054 3.384) 7.824 7.103 ( 0.000 5.762 -8.147) 9.979 7.226 ( 0.000 3.456 5.565) 6.551 7.258 ( 0.000 1.395 -7.692) 7.818 7.419 ( 0.000 -0.893 -2.714) 2.857 8.078 ( 0.000 -11.260 13.680) 17.719 8.362 ( 0.000 -13.180 -0.840) 13.207======================= Grid point 204 (70/112) =======================q-point: ( 0.14 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( 3.568 16.907 11.934) 21.000 1.888 ( 4.713 11.695 15.165) 19.722 2.281 ( -7.973 10.442 -4.836) 14.000 2.599 ( 6.930 12.722 -6.873) 16.035 2.765 ( -5.094 2.635 4.260) 7.144 2.902 ( 3.059 11.431 3.224) 12.265 3.148 ( -0.425 -4.603 -4.760) 6.635 3.264 ( 5.553 1.459 -8.830) 10.532 3.392 ( -2.992 -2.993 6.553) 7.801 3.611 ( -2.641 3.570 4.484) 6.311 3.682 ( -3.277 1.628 -3.924) 5.365 3.957 ( -1.742 1.593 -4.640) 5.206 4.181 ( -2.851 -2.710 6.506) 7.603 4.279 ( -3.173 5.105 -2.222) 6.408 4.353 ( -7.158 4.298 6.809) 10.774 4.535 ( 4.827 -8.922 0.337) 10.150 4.794 ( -11.119 5.810 8.161) 14.966 4.927 ( 2.454 1.661 -6.841) 7.455 5.014 ( 3.782 2.936 -6.673) 8.213 5.061 ( -6.313 4.772 -1.223) 8.008 5.133 ( -8.255 2.179 1.190) 8.620 5.394 ( 5.275 6.498 -10.212) 13.203 5.580 ( 4.293 2.098 3.014) 5.649 5.689 ( 1.630 1.764 -2.667) 3.589 5.878 ( 1.723 -1.676 2.405) 3.400 5.957 ( -0.338 0.492 1.570) 1.680 6.074 ( 3.974 -3.819 -2.483) 6.045 6.312 ( 0.062 0.188 -13.657) 13.658 6.868 ( 2.049 -4.574 9.512) 10.751 6.914 ( 2.215 6.344 1.206) 6.827 7.118 ( 1.373 5.114 -2.453) 5.836 7.264 ( 0.897 1.544 -6.509) 6.749 7.287 ( 5.154 2.724 1.763) 6.091 7.445 ( 2.971 -2.980 -2.144) 4.723 8.051 ( -2.618 -10.701 12.846) 16.923 8.313 ( -4.636 -12.276 -0.475) 13.130======================= Grid point 205 (71/112) =======================q-point: ( 0.29 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( 5.028 11.466 6.176) 13.961 2.035 ( 5.379 6.124 9.271) 12.344 2.180 ( 1.017 8.646 6.348) 10.774 2.603 ( -5.514 1.366 8.556) 10.270 2.794 ( 6.601 10.401 -6.616) 13.983 2.961 ( 2.394 5.619 -0.864) 6.168 3.112 ( -2.065 -4.142 -1.702) 4.931 3.283 ( -6.191 -5.039 0.829) 8.025 3.348 ( 0.036 -2.427 -8.310) 8.657 3.451 ( -8.203 -1.213 -2.223) 8.585 3.767 ( 3.171 14.684 -3.070) 15.333 3.841 ( -4.483 2.321 0.492) 5.072 4.096 ( -4.521 2.037 6.101) 7.862 4.193 ( -0.970 4.877 12.266) 13.236 4.387 ( 5.983 4.395 -10.401) 12.778 4.486 ( -13.061 -0.918 16.549) 21.102 4.630 ( 0.896 -2.705 -5.844) 6.502 4.893 ( -7.463 6.459 -4.019) 10.657 4.986 ( -0.301 -3.282 3.049) 4.490 5.003 ( -3.496 0.347 0.753) 3.593 5.142 ( 6.996 7.627 -7.835) 12.981 5.461 ( -0.003 7.942 -7.631) 11.014 5.564 ( -4.192 14.423 -0.246) 15.022 5.676 ( 0.191 1.184 -4.395) 4.556 5.971 ( 2.772 -3.535 2.089) 4.954 5.995 ( 4.342 -1.472 2.905) 5.427 6.135 ( 2.936 -4.486 -4.667) 7.108 6.313 ( -0.299 -2.292 -10.691) 10.938 6.867 ( 0.135 2.862 4.377) 5.232 6.965 ( -0.015 4.240 -0.670) 4.292 7.189 ( 5.017 2.594 0.819) 5.707 7.277 ( 0.400 1.617 -4.154) 4.476 7.411 ( 6.974 -0.997 2.762) 7.566 7.557 ( 7.613 -6.812 -1.378) 10.308 7.979 ( -4.178 -9.172 10.612) 14.636 8.190 ( -7.227 -10.428 0.075) 12.687======================= Grid point 206 (72/112) =======================q-point: ( 0.43 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.039 ( 2.999 1.082 6.400) 7.150 2.072 ( 0.202 3.704 5.767) 6.857 2.326 ( 9.138 4.924 12.462) 16.219 2.483 ( -6.424 1.740 10.672) 12.577 2.897 ( 4.178 5.398 -2.428) 7.245 2.978 ( -1.730 4.745 -4.197) 6.567 3.111 ( 0.955 3.061 4.379) 5.427 3.169 ( -4.345 -2.993 4.776) 7.117 3.271 ( -1.183 -2.605 -15.486) 15.748 3.349 ( -4.718 -2.347 -13.460) 14.455 3.740 ( 0.210 6.529 -2.711) 7.072 3.795 ( -3.860 6.589 -3.117) 8.248 4.073 ( 2.363 1.265 9.603) 9.970 4.181 ( -7.087 -1.099 9.225) 11.685 4.388 ( 9.631 11.121 14.120) 20.392 4.500 ( 3.446 2.439 -10.444) 11.265 4.623 ( -1.764 0.851 -4.126) 4.567 4.695 ( -10.760 9.704 5.600) 15.534 4.969 ( 0.544 -2.658 3.241) 4.227 4.988 ( -0.723 -1.939 2.452) 3.209 5.273 ( 5.619 7.662 -4.744) 10.620 5.378 ( -5.346 10.141 0.440) 11.472 5.566 ( 2.962 10.807 -11.351) 15.950 5.641 ( -3.536 6.836 -9.360) 12.118 6.019 ( 1.989 -2.682 2.012) 3.898 6.041 ( 0.236 -2.274 2.168) 3.151 6.212 ( 4.234 -5.477 -5.789) 9.025 6.285 ( -2.656 -4.302 -7.512) 9.055 6.888 ( 1.854 4.256 2.209) 5.141 6.934 ( -2.346 5.017 0.038) 5.538 7.259 ( 1.847 3.094 -1.860) 4.055 7.278 ( -0.299 2.467 -2.871) 3.797 7.576 ( 8.362 -6.705 5.989) 12.278 7.676 ( 1.045 -8.771 2.540) 9.191 7.923 ( 1.051 -7.317 5.160) 9.014 8.035 ( -7.711 -8.610 0.602) 11.573======================= Grid point 210 (73/112) =======================q-point: ( 0.00 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 152Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.077 ( 0.000 14.510 12.406) 19.090 2.236 ( 0.000 17.605 5.923) 18.575 2.578 ( 0.000 6.546 -5.355) 8.458 2.754 ( 0.000 4.496 -3.108) 5.465 2.824 ( 0.000 6.178 5.290) 8.134 3.020 ( 0.000 4.353 -1.615) 4.643 3.105 ( 0.000 -3.495 -11.709) 12.219 3.278 ( 0.000 4.386 -13.065) 13.781 3.421 ( 0.000 2.161 10.161) 10.388 3.721 ( 0.000 -7.659 -4.130) 8.702 3.757 ( 0.000 6.621 8.696) 10.930 3.863 ( 0.000 -1.064 0.310) 1.108 4.193 ( 0.000 1.576 -3.125) 3.500 4.234 ( 0.000 -11.278 -7.137) 13.347 4.338 ( 0.000 -3.225 12.107) 12.529 4.607 ( 0.000 10.652 8.602) 13.691 4.828 ( 0.000 -6.894 -3.560) 7.759 5.062 ( 0.000 5.336 -7.208) 8.968 5.099 ( 0.000 -4.276 8.511) 9.525 5.105 ( 0.000 5.008 3.497) 6.108 5.235 ( 0.000 -2.782 -6.914) 7.453 5.415 ( 0.000 3.065 -8.318) 8.865 5.618 ( 0.000 6.287 1.218) 6.404 5.662 ( 0.000 8.884 -1.923) 9.089 5.814 ( 0.000 -6.022 -2.669) 6.587 5.910 ( 0.000 -3.763 -8.203) 9.025 6.149 ( 0.000 12.980 8.510) 15.521 6.463 ( 0.000 10.111 -2.507) 10.417 6.676 ( 0.000 -4.099 8.937) 9.832 7.050 ( 0.000 5.884 1.856) 6.170 7.120 ( 0.000 -4.926 -8.927) 10.196 7.260 ( 0.000 0.806 -6.371) 6.422 7.272 ( 0.000 0.933 4.017) 4.124 7.421 ( 0.000 0.338 -2.527) 2.550 7.865 ( 0.000 -10.204 11.454) 15.340 8.110 ( 0.000 -12.950 -1.719) 13.064======================= Grid point 211 (74/112) =======================q-point: ( 0.14 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.104 ( 1.515 11.753 11.400) 16.443 2.235 ( 0.607 17.372 4.597) 17.980 2.454 ( -8.690 7.550 -0.657) 11.530 2.736 ( -2.789 1.038 0.222) 2.984 2.887 ( 4.182 8.690 0.814) 9.678 3.016 ( -0.088 2.069 -3.314) 3.907 3.085 ( -1.882 0.027 -10.045) 10.220 3.285 ( 1.069 0.457 -6.816) 6.914 3.346 ( -6.887 -1.498 3.847) 8.030 3.569 ( -8.316 -4.291 -3.843) 10.116 3.811 ( 4.058 0.792 8.638) 9.576 3.957 ( 2.802 1.591 1.223) 3.446 4.169 ( -5.234 0.229 2.231) 5.695 4.277 ( 4.153 -5.618 -6.009) 9.215 4.355 ( 4.628 -3.927 0.559) 6.095 4.515 ( -6.100 11.434 4.639) 13.764 4.788 ( -9.434 -5.036 8.383) 13.588 4.889 ( -4.372 -3.392 0.199) 5.537 5.026 ( -4.101 1.831 -2.959) 5.378 5.199 ( -4.814 2.718 -0.378) 5.541 5.247 ( 6.517 7.268 -5.002) 10.968 5.487 ( 6.642 3.075 -11.598) 13.715 5.680 ( 3.679 5.590 -1.675) 6.898 5.716 ( 2.886 1.498 -0.745) 3.336 5.825 ( 5.685 -0.912 0.632) 5.792 5.992 ( 4.503 -4.137 -3.001) 6.812 6.097 ( -4.211 12.260 8.608) 15.560 6.441 ( -2.281 11.133 -4.372) 12.176 6.745 ( 5.621 -4.914 7.744) 10.757 7.027 ( -0.361 3.925 -0.475) 3.970 7.154 ( 1.435 -3.035 -2.390) 4.121 7.251 ( 0.001 0.511 -5.219) 5.243 7.323 ( 4.605 0.190 -0.213) 4.614 7.419 ( -0.144 -0.425 -2.104) 2.152 7.848 ( -1.700 -9.810 10.491) 14.463 8.075 ( -3.357 -12.368 -1.630) 12.919======================= Grid point 212 (75/112) =======================q-point: ( 0.29 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.086 ( -2.538 5.910 9.246) 11.263 2.248 ( -3.008 10.672 4.118) 11.828 2.353 ( 2.046 9.971 4.363) 11.074 2.638 ( -6.144 0.790 3.062) 6.910 2.942 ( 0.759 3.217 4.115) 5.278 3.028 ( 0.865 -2.315 -12.497) 12.739 3.059 ( 0.181 4.021 -3.619) 5.413 3.204 ( -4.598 0.101 1.651) 4.886 3.312 ( 0.271 -2.252 -2.829) 3.626 3.444 ( -4.541 0.473 -7.890) 9.116 3.818 ( -3.033 -4.964 4.532) 7.374 3.969 ( -2.100 5.317 0.163) 5.719 4.057 ( -4.132 -2.658 6.925) 8.490 4.274 ( -4.636 -4.125 0.143) 6.207 4.470 ( 5.397 6.497 -7.778) 11.482 4.527 ( 5.950 5.245 -0.502) 7.947 4.568 ( -7.427 -0.543 4.480) 8.691 4.843 ( -2.064 -7.892 2.592) 8.560 4.950 ( -2.503 1.290 0.340) 2.836 5.094 ( -5.701 5.797 1.875) 8.344 5.364 ( 5.250 9.313 -6.822) 12.682 5.591 ( 4.188 6.381 -12.609) 14.739 5.767 ( 4.372 2.732 1.517) 5.374 5.795 ( 2.485 9.692 1.666) 10.143 5.940 ( 3.769 0.315 3.444) 5.115 6.005 ( -0.568 5.489 6.438) 8.479 6.073 ( 1.411 -2.622 -1.291) 3.246 6.373 ( -4.364 9.751 -6.698) 12.609 6.848 ( 4.074 -3.032 5.396) 7.410 7.040 ( -0.095 3.064 -0.010) 3.066 7.186 ( 2.963 -5.310 -0.129) 6.082 7.262 ( 0.970 0.835 -3.746) 3.958 7.416 ( 1.576 -0.246 -0.932) 1.847 7.453 ( 6.208 -3.674 -1.864) 7.450 7.801 ( -2.665 -8.850 7.978) 12.210 7.982 ( -5.530 -10.928 -1.506) 12.340======================= Grid point 213 (76/112) =======================q-point: ( 0.43 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( 1.555 2.871 10.542) 11.036 2.147 ( -5.533 4.058 10.043) 12.163 2.438 ( 4.257 4.975 1.197) 6.656 2.524 ( -4.753 0.707 1.776) 5.123 2.963 ( 2.027 1.189 3.020) 3.826 3.011 ( -2.173 -4.385 -3.217) 5.856 3.091 ( 3.383 2.856 -0.619) 4.470 3.178 ( -2.699 4.321 3.144) 5.987 3.283 ( 1.538 1.481 -11.065) 11.269 3.375 ( -4.311 4.462 -15.662) 16.847 3.783 ( 1.785 -2.282 3.740) 4.731 3.878 ( -5.850 1.144 0.065) 5.961 4.034 ( 1.953 -2.307 9.640) 10.103 4.132 ( -7.414 -2.502 8.198) 11.333 4.508 ( 1.496 -2.833 -11.819) 12.246 4.544 ( -0.973 -1.108 -12.264) 12.352 4.672 ( 8.427 9.029 3.970) 12.973 4.802 ( -3.298 0.624 0.812) 3.453 4.933 ( 0.628 -1.386 4.519) 4.768 4.981 ( -4.474 1.971 2.941) 5.706 5.480 ( 6.636 12.730 -1.767) 14.464 5.614 ( -4.586 14.649 -1.082) 15.388 5.786 ( 2.367 9.661 0.794) 9.978 5.835 ( -0.013 5.751 -0.756) 5.800 5.995 ( 1.273 0.509 3.502) 3.761 6.015 ( -0.251 1.073 2.320) 2.568 6.136 ( 5.906 -1.113 -4.392) 7.443 6.267 ( -6.132 5.124 -6.879) 10.544 6.924 ( 3.735 -0.345 3.852) 5.377 6.998 ( -3.358 1.489 2.298) 4.333 7.247 ( 2.237 -5.020 -3.601) 6.571 7.275 ( -0.321 -1.026 -3.344) 3.512 7.482 ( 5.034 -3.033 3.054) 6.623 7.547 ( 0.833 -4.061 0.712) 4.207 7.771 ( 1.346 -8.268 2.791) 8.830 7.862 ( -6.079 -9.232 -1.125) 11.111======================= Grid point 217 (77/112) =======================q-point: ( 0.00 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.345 ( 0.000 12.121 5.990) 13.521 2.510 ( 0.000 8.359 0.312) 8.365 2.676 ( 0.000 3.596 -1.999) 4.114 2.729 ( 0.000 -0.959 3.854) 3.971 2.981 ( 0.000 3.388 6.286) 7.140 3.090 ( 0.000 1.993 -0.020) 1.993 3.113 ( 0.000 6.727 -13.802) 15.354 3.318 ( 0.000 0.338 -12.800) 12.805 3.475 ( 0.000 2.168 3.043) 3.736 3.548 ( 0.000 -7.863 -5.835) 9.792 3.811 ( 0.000 -0.073 10.379) 10.380 3.861 ( 0.000 0.887 3.483) 3.594 4.028 ( 0.000 -8.282 -0.694) 8.311 4.172 ( 0.000 -6.178 1.164) 6.286 4.339 ( 0.000 5.384 4.531) 7.036 4.669 ( 0.000 -9.079 -0.909) 9.125 4.856 ( 0.000 11.210 -0.890) 11.245 5.044 ( 0.000 -0.029 6.261) 6.261 5.064 ( 0.000 -3.406 -12.593) 13.045 5.180 ( 0.000 -3.451 -0.900) 3.566 5.227 ( 0.000 8.807 5.704) 10.493 5.453 ( 0.000 1.816 -3.849) 4.256 5.669 ( 0.000 -4.118 -3.668) 5.514 5.689 ( 0.000 -6.009 -5.311) 8.020 5.788 ( 0.000 6.475 3.344) 7.288 5.969 ( 0.000 5.687 -1.699) 5.935 6.436 ( 0.000 14.314 10.548) 17.780 6.483 ( 0.000 -0.693 6.608) 6.644 6.815 ( 0.000 9.902 -1.240) 9.980 6.966 ( 0.000 -9.332 -9.807) 13.538 7.153 ( 0.000 5.314 -0.203) 5.318 7.269 ( 0.000 -0.396 -2.731) 2.760 7.271 ( 0.000 0.002 1.170) 1.170 7.417 ( 0.000 -1.179 -4.156) 4.320 7.702 ( 0.000 -5.759 8.256) 10.066 7.858 ( 0.000 -12.494 -0.686) 12.512======================= Grid point 218 (78/112) =======================q-point: ( 0.14 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.323 ( -2.984 10.201 5.701) 12.061 2.504 ( -1.165 7.545 -1.076) 7.710 2.588 ( -5.932 6.647 0.054) 8.909 2.711 ( -2.920 -1.864 3.591) 4.990 2.971 ( -1.516 1.378 5.565) 5.930 3.104 ( 0.749 5.352 -5.186) 7.490 3.125 ( 0.344 2.896 -7.634) 8.172 3.277 ( -3.602 -1.388 -2.679) 4.699 3.340 ( -8.458 1.150 -0.079) 8.536 3.482 ( -3.211 -4.329 -5.295) 7.556 3.758 ( -1.765 -1.970 3.418) 4.322 3.989 ( 3.288 -8.125 -6.178) 10.723 4.031 ( 2.006 0.091 7.445) 7.712 4.244 ( -2.193 -3.178 8.036) 8.915 4.356 ( 8.915 4.546 -3.699) 10.669 4.648 ( -1.922 -7.574 2.988) 8.366 4.728 ( -9.352 6.132 -5.250) 12.354 4.832 ( -10.321 -2.324 -0.243) 10.582 5.107 ( -3.296 5.848 -0.220) 6.717 5.231 ( 0.233 -0.372 -3.316) 3.345 5.317 ( 8.438 4.357 1.230) 9.575 5.550 ( 9.152 3.027 -1.913) 9.827 5.628 ( 0.424 -4.535 -1.746) 4.878 5.786 ( 6.300 -3.036 -4.466) 8.298 5.857 ( 5.219 4.087 2.414) 7.055 5.989 ( 1.556 3.759 -0.973) 4.183 6.366 ( -4.369 12.785 11.448) 17.709 6.558 ( 3.660 2.507 5.847) 7.339 6.809 ( -0.073 7.809 -2.128) 8.094 6.979 ( 1.625 -6.993 -8.220) 10.914 7.150 ( -1.082 4.200 -0.035) 4.337 7.270 ( 0.819 0.613 -1.424) 1.754 7.302 ( 2.954 -1.673 -0.769) 3.481 7.403 ( -1.307 -1.832 -4.152) 4.723 7.690 ( -1.218 -5.621 7.444) 9.407 7.833 ( -2.356 -11.952 -0.767) 12.206======================= Grid point 219 (79/112) =======================q-point: ( 0.29 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.222 ( -5.602 7.990 6.782) 11.883 2.405 ( -7.510 5.595 2.262) 9.634 2.525 ( -2.314 5.150 -2.705) 6.261 2.594 ( -7.790 -4.791 3.096) 9.655 2.937 ( -0.455 1.738 4.980) 5.294 3.059 ( -3.528 3.336 -0.743) 4.912 3.126 ( 0.098 1.542 -2.648) 3.065 3.223 ( -1.384 -6.502 2.623) 7.147 3.300 ( 3.070 7.767 -3.988) 9.255 3.468 ( 1.762 0.871 -9.825) 10.020 3.711 ( -3.185 -3.441 1.283) 4.861 3.944 ( -5.377 -9.034 -2.908) 10.908 4.059 ( -0.824 4.434 5.047) 6.769 4.193 ( -1.062 -2.086 -0.515) 2.397 4.479 ( -8.040 -2.165 0.918) 8.376 4.569 ( 2.479 4.337 -10.091) 11.260 4.673 ( -1.473 -3.950 3.128) 5.249 4.689 ( 3.591 -2.763 -1.540) 4.786 5.023 ( -4.387 5.658 1.083) 7.242 5.154 ( -6.387 0.029 -1.703) 6.610 5.512 ( 10.181 7.390 0.768) 12.603 5.684 ( 5.257 0.796 -2.361) 5.817 5.758 ( 8.684 1.162 3.437) 9.411 5.928 ( 2.993 -0.530 -1.643) 3.455 5.962 ( 8.864 1.676 -1.413) 9.131 6.011 ( 0.464 2.126 0.570) 2.249 6.264 ( -5.766 14.818 12.533) 20.246 6.565 ( -3.419 5.461 3.324) 7.250 6.840 ( 3.143 3.168 -1.784) 4.806 7.040 ( 4.240 -5.558 -7.285) 10.097 7.096 ( -3.897 2.088 0.708) 4.478 7.291 ( -0.211 1.056 -3.374) 3.542 7.368 ( 1.682 -3.443 -0.385) 3.852 7.407 ( 4.639 -2.586 -2.770) 5.990 7.654 ( -2.328 -5.419 5.624) 8.150 7.769 ( -3.877 -10.442 -0.979) 11.182======================= Grid point 220 (80/112) =======================q-point: ( 0.43 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( 0.397 6.603 8.490) 10.763 2.244 ( -7.291 5.923 7.267) 11.877 2.464 ( -2.454 -2.722 -2.290) 4.321 2.469 ( -3.389 -6.007 0.327) 6.905 2.970 ( 2.805 2.752 3.652) 5.365 3.015 ( -1.544 3.426 3.060) 4.846 3.138 ( 1.412 0.304 -2.338) 2.748 3.183 ( -2.608 -3.918 0.639) 4.750 3.391 ( 5.393 8.563 -7.178) 12.407 3.491 ( -2.640 6.954 -11.699) 13.864 3.686 ( 3.537 -6.228 4.396) 8.404 3.813 ( -7.054 -6.771 1.063) 9.836 4.059 ( 1.878 4.419 3.055) 5.691 4.140 ( -5.034 3.770 1.631) 6.498 4.379 ( 0.892 -8.261 -9.170) 12.374 4.469 ( -6.607 -6.696 -11.543) 14.891 4.801 ( 6.619 0.456 2.145) 6.973 4.808 ( 7.369 3.165 -0.127) 8.021 4.935 ( -4.003 1.853 2.081) 4.877 5.003 ( -8.038 -0.106 -0.060) 8.039 5.718 ( 9.837 7.898 2.272) 12.818 5.796 ( 5.017 1.699 0.186) 5.300 5.864 ( 0.274 2.028 1.553) 2.568 5.898 ( -4.706 1.074 0.455) 4.848 6.021 ( 2.471 3.154 4.067) 5.709 6.104 ( -3.183 11.868 5.987) 13.669 6.231 ( 9.161 6.024 2.637) 11.277 6.435 ( -8.940 6.410 0.979) 11.043 6.917 ( 4.245 1.466 -0.469) 4.516 7.007 ( -4.569 1.345 0.486) 4.787 7.137 ( 4.921 -5.685 -7.135) 10.365 7.233 ( -4.410 -3.521 -6.115) 8.321 7.444 ( 4.928 -0.881 2.197) 5.467 7.500 ( 1.798 -1.459 -0.239) 2.328 7.612 ( -0.049 -7.248 2.229) 7.583 7.681 ( -4.684 -8.780 -1.063) 10.008======================= Grid point 224 (81/112) =======================q-point: ( 0.00 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( 0.000 -5.402 0.874) 5.472 2.521 ( 0.000 5.402 0.874) 5.472 2.725 ( 0.000 -1.271 1.074) 1.664 2.725 ( 0.000 1.271 1.074) 1.664 3.056 ( 0.000 -4.784 5.308) 7.146 3.056 ( 0.000 4.784 5.308) 7.146 3.268 ( 0.000 -6.510 -10.236) 12.131 3.268 ( 0.000 6.510 -10.236) 12.131 3.478 ( 0.000 -0.662 -7.462) 7.491 3.478 ( 0.000 0.662 -7.462) 7.491 3.830 ( 0.000 -2.899 5.150) 5.910 3.830 ( 0.000 2.899 5.150) 5.910 4.025 ( 0.000 -6.821 7.627) 10.232 4.025 ( 0.000 6.821 7.627) 10.232 4.489 ( 0.000 -9.022 -0.065) 9.022 4.489 ( 0.000 9.022 -0.065) 9.022 4.986 ( 0.000 -4.201 -9.063) 9.989 4.986 ( 0.000 4.201 -9.063) 9.989 5.099 ( 0.000 -4.395 1.409) 4.615 5.099 ( 0.000 4.395 1.409) 4.615 5.426 ( 0.000 -7.973 4.419) 9.116 5.426 ( 0.000 7.973 4.419) 9.116 5.599 ( 0.000 -0.660 -6.600) 6.633 5.599 ( 0.000 0.660 -6.600) 6.633 5.937 ( 0.000 -7.104 6.633) 9.719 5.937 ( 0.000 7.104 6.633) 9.719 6.568 ( 0.000 -4.081 1.163) 4.244 6.568 ( 0.000 4.081 1.163) 4.244 6.863 ( 0.000 -1.370 0.816) 1.595 6.863 ( 0.000 1.370 0.816) 1.595 7.243 ( 0.000 -2.388 -0.845) 2.533 7.243 ( 0.000 2.388 -0.845) 2.533 7.344 ( 0.000 -6.640 -6.490) 9.285 7.344 ( 0.000 6.640 -6.490) 9.285 7.676 ( 0.000 -4.166 4.305) 5.991 7.676 ( 0.000 4.166 4.305) 5.991======================= Grid point 226 (82/112) =======================q-point: ( 0.14 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.488 ( -3.544 -6.336 0.413) 7.272 2.488 ( -3.544 6.336 0.413) 7.272 2.686 ( -4.033 -2.630 0.853) 4.890 2.686 ( -4.033 2.630 0.853) 4.890 3.051 ( -0.291 -6.100 5.795) 8.419 3.051 ( -0.291 6.100 5.795) 8.419 3.230 ( -5.097 -4.099 -4.651) 8.026 3.230 ( -5.097 4.099 -4.651) 8.026 3.400 ( -2.578 -4.272 -5.271) 7.258 3.400 ( -2.578 4.272 -5.271) 7.258 3.799 ( -1.421 -6.697 -3.914) 7.887 3.799 ( -1.421 6.697 -3.914) 7.887 4.133 ( 4.710 -6.708 9.475) 12.528 4.133 ( 4.710 6.708 9.475) 12.528 4.489 ( 1.930 -8.030 0.109) 8.259 4.489 ( 1.930 8.030 0.109) 8.259 4.793 ( -11.555 -1.990 -5.839) 13.098 4.793 ( -11.555 1.990 -5.839) 13.098 5.189 ( 0.269 -2.941 -4.961) 5.773 5.189 ( 0.269 2.941 -4.961) 5.773 5.471 ( 6.104 -8.540 6.807) 12.511 5.471 ( 6.104 8.540 6.807) 12.511 5.674 ( 7.022 -6.328 -5.081) 10.732 5.674 ( 7.022 6.328 -5.081) 10.732 5.965 ( 2.179 -5.538 5.313) 7.978 5.965 ( 2.179 5.538 5.313) 7.978 6.565 ( -0.655 -6.705 3.853) 7.761 6.565 ( -0.655 6.705 3.853) 7.761 6.877 ( 1.502 -4.322 -1.085) 4.702 6.877 ( 1.502 4.322 -1.085) 4.702 7.263 ( 1.737 -3.001 -1.051) 3.624 7.263 ( 1.737 3.001 -1.051) 3.624 7.319 ( -2.107 -6.155 -6.262) 9.030 7.319 ( -2.107 6.155 -6.262) 9.030 7.662 ( -1.316 -3.774 3.799) 5.514 7.662 ( -1.316 3.774 3.799) 5.514======================= Grid point 228 (83/112) =======================q-point: ( 0.29 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.384 ( -5.724 -7.658 1.654) 9.703 2.384 ( -5.724 7.658 1.654) 9.703 2.551 ( -9.071 -1.885 0.855) 9.304 2.551 ( -9.071 1.885 0.855) 9.304 3.048 ( 0.255 -7.935 5.439) 9.623 3.048 ( 0.255 7.935 5.439) 9.623 3.130 ( -2.714 -3.242 0.659) 4.279 3.130 ( -2.714 3.242 0.659) 4.279 3.432 ( 4.318 -4.675 -5.265) 8.260 3.432 ( 4.318 4.675 -5.265) 8.260 3.758 ( -3.293 -7.903 -6.205) 10.573 3.758 ( -3.293 7.903 -6.205) 10.573 4.145 ( -1.055 -3.729 2.437) 4.578 4.145 ( -1.055 3.729 2.437) 4.578 4.518 ( -7.970 -6.139 2.287) 10.317 4.518 ( -7.970 6.139 2.287) 10.317 4.653 ( 5.223 -3.495 -6.054) 8.727 4.653 ( 5.223 3.495 -6.054) 8.727 5.116 ( -5.780 -3.456 -2.444) 7.164 5.116 ( -5.780 3.456 -2.444) 7.164 5.628 ( 7.976 -4.500 3.645) 9.856 5.628 ( 7.976 4.500 3.645) 9.856 5.856 ( 8.896 -5.605 -1.109) 10.572 5.856 ( 8.896 5.605 -1.109) 10.572 6.007 ( 2.862 -3.900 4.101) 6.341 6.007 ( 2.862 3.900 4.101) 6.341 6.519 ( -4.315 -9.872 8.066) 13.458 6.519 ( -4.315 9.872 8.066) 13.458 6.927 ( 3.391 -6.206 -4.561) 8.415 6.927 ( 3.391 6.206 -4.561) 8.415 7.227 ( -4.803 -8.331 -6.265) 11.477 7.227 ( -4.803 8.331 -6.265) 11.477 7.350 ( 4.720 -2.103 -0.744) 5.221 7.350 ( 4.720 2.103 -0.744) 5.221 7.625 ( -2.472 -3.058 2.626) 4.728 7.625 ( -2.472 3.058 2.626) 4.728======================= Grid point 230 (84/112) =======================q-point: ( 0.43 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.309 ( -0.714 -7.508 3.185) 8.187 2.309 ( -0.714 7.508 3.185) 8.187 2.374 ( -6.930 -5.216 2.662) 9.073 2.374 ( -6.930 5.216 2.662) 9.073 3.069 ( 1.596 -5.681 2.454) 6.391 3.069 ( 1.596 5.681 2.454) 6.391 3.099 ( -1.225 -3.615 0.949) 3.933 3.099 ( -1.225 3.615 0.949) 3.933 3.541 ( 6.008 -6.051 -2.998) 9.039 3.541 ( 6.008 6.051 -2.998) 9.039 3.663 ( -5.758 -7.570 -3.466) 10.123 3.663 ( -5.758 7.570 -3.466) 10.123 4.172 ( 4.357 -5.741 -3.889) 8.189 4.172 ( 4.357 5.741 -3.889) 8.189 4.316 ( -9.415 -6.650 -4.658) 12.433 4.316 ( -9.415 6.650 -4.658) 12.433 4.818 ( 8.586 -0.868 0.424) 8.640 4.818 ( 8.586 0.868 0.424) 8.640 4.981 ( -7.449 -2.059 -0.064) 7.729 4.981 ( -7.449 2.059 -0.064) 7.729 5.779 ( 6.918 -1.528 1.266) 7.197 5.779 ( 6.918 1.528 1.266) 7.197 5.893 ( -3.681 -0.331 0.592) 3.743 5.893 ( -3.681 0.331 0.592) 3.743 6.174 ( 11.409 -8.380 6.076) 15.405 6.174 ( 11.409 8.380 6.076) 15.405 6.385 ( -8.824 -10.417 8.570) 16.119 6.385 ( -8.824 10.417 8.570) 16.119 7.011 ( 4.816 -7.070 -6.270) 10.607 7.011 ( 4.816 7.070 -6.270) 10.607 7.118 ( -5.631 -8.015 -6.667) 11.849 7.118 ( -5.631 8.015 -6.667) 11.849 7.459 ( 5.558 -2.507 0.395) 6.110 7.459 ( 5.558 2.507 0.395) 6.110 7.559 ( -4.129 -2.669 1.423) 5.118 7.559 ( -4.129 2.669 1.423) 5.118======================= Grid point 273 (85/112) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( 0.000 0.000 -18.613) 18.613 1.041 ( 0.000 0.000 18.613) 18.613 1.733 ( 0.000 0.000 -26.922) 26.922 1.733 ( 0.000 0.000 26.922) 26.922 2.767 ( 0.000 0.000 -13.907) 13.907 2.767 ( 0.000 0.000 13.907) 13.907 3.463 ( 0.000 0.000 -7.906) 7.906 3.463 ( 0.000 0.000 7.906) 7.906 3.579 ( 0.000 0.000 -26.658) 26.658 3.579 ( 0.000 0.000 26.658) 26.658 3.765 ( 0.000 0.000 -8.147) 8.147 3.765 ( 0.000 0.000 8.147) 8.147 4.011 ( 0.000 0.000 -2.840) 2.840 4.011 ( 0.000 0.000 2.840) 2.840 4.121 ( 0.000 0.000 -0.580) 0.580 4.121 ( 0.000 0.000 0.580) 0.580 4.688 ( 0.000 0.000 -10.546) 10.546 4.688 ( 0.000 0.000 10.546) 10.546 4.859 ( 0.000 0.000 -9.131) 9.131 4.859 ( 0.000 0.000 9.131) 9.131 5.608 ( 0.000 0.000 -2.723) 2.723 5.608 ( 0.000 0.000 2.723) 2.723 5.788 ( 0.000 0.000 -7.828) 7.828 5.788 ( 0.000 0.000 7.828) 7.828 6.004 ( 0.000 0.000 -1.388) 1.388 6.004 ( 0.000 0.000 1.388) 1.388 6.240 ( 0.000 0.000 -8.819) 8.819 6.240 ( 0.000 0.000 8.819) 8.819 6.417 ( 0.000 0.000 -1.166) 1.166 6.417 ( 0.000 0.000 1.166) 1.166 6.794 ( 0.000 0.000 -1.462) 1.462 6.794 ( 0.000 0.000 1.462) 1.462 7.448 ( 0.000 0.000 -7.913) 7.913 7.448 ( 0.000 0.000 7.913) 7.913 8.828 ( 0.000 0.000 -12.769) 12.769 8.828 ( 0.000 0.000 12.769) 12.769======================= Grid point 275 (86/112) =======================q-point: ( 0.14 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.215 ( 15.760 0.000 -16.321) 22.688 1.215 ( 15.760 0.000 16.321) 22.688 1.779 ( 5.420 0.000 -23.745) 24.356 1.779 ( 5.420 0.000 23.745) 24.356 2.808 ( 3.106 0.000 -9.111) 9.626 2.808 ( 3.106 0.000 9.111) 9.626 3.336 ( -11.605 0.000 -7.334) 13.728 3.336 ( -11.605 0.000 7.334) 13.728 3.646 ( 5.797 0.000 -27.572) 28.175 3.646 ( 5.797 0.000 27.572) 28.175 3.757 ( -0.478 0.000 -6.272) 6.290 3.757 ( -0.478 0.000 6.272) 6.290 3.990 ( -1.305 0.000 -3.565) 3.797 3.990 ( -1.305 0.000 3.565) 3.797 4.184 ( 5.017 0.000 -1.780) 5.323 4.184 ( 5.017 0.000 1.780) 5.323 4.413 ( -17.972 0.000 -9.756) 20.449 4.413 ( -17.972 0.000 9.756) 20.449 5.004 ( 6.349 0.000 -2.931) 6.993 5.004 ( 6.349 0.000 2.931) 6.993 5.526 ( -6.500 0.000 -2.923) 7.127 5.526 ( -6.500 0.000 2.923) 7.127 5.686 ( -8.993 0.000 -0.968) 9.045 5.686 ( -8.993 0.000 0.968) 9.045 6.081 ( 5.163 0.000 -4.039) 6.555 6.081 ( 5.163 0.000 4.039) 6.555 6.326 ( 7.654 0.000 -2.865) 8.173 6.326 ( 7.654 0.000 2.865) 8.173 6.432 ( 1.375 0.000 -1.043) 1.725 6.432 ( 1.375 0.000 1.043) 1.725 6.783 ( -1.079 0.000 -1.332) 1.714 6.783 ( -1.079 0.000 1.332) 1.714 7.557 ( 9.982 0.000 -7.185) 12.299 7.557 ( 9.982 0.000 7.185) 12.299 8.752 ( -7.036 0.000 -11.000) 13.058 8.752 ( -7.036 0.000 11.000) 13.058======================= Grid point 277 (87/112) =======================q-point: ( 0.29 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 21.508 0.000 -12.762) 25.009 1.607 ( 21.508 0.000 12.762) 25.009 1.979 ( 14.150 0.000 -15.691) 21.129 1.979 ( 14.150 0.000 15.691) 21.129 2.861 ( 1.659 0.000 -6.155) 6.374 2.861 ( 1.659 0.000 6.155) 6.374 3.037 ( -17.133 0.000 -7.427) 18.674 3.037 ( -17.133 0.000 7.427) 18.674 3.704 ( -2.429 0.000 -9.002) 9.324 3.704 ( -2.429 0.000 9.002) 9.324 3.751 ( -0.185 0.000 -3.334) 3.339 3.751 ( -0.185 0.000 3.334) 3.339 3.926 ( -11.928 0.000 -5.692) 13.217 3.926 ( -11.928 0.000 5.692) 13.217 4.197 ( 6.606 0.000 -16.923) 18.166 4.197 ( 6.606 0.000 16.923) 18.166 4.282 ( 4.131 0.000 -1.306) 4.333 4.282 ( 4.131 0.000 1.306) 4.333 5.070 ( -0.688 0.000 -8.829) 8.856 5.070 ( -0.688 0.000 8.829) 8.856 5.339 ( -10.771 0.000 -16.240) 19.487 5.339 ( -10.771 0.000 16.240) 19.487 5.519 ( -6.490 0.000 -9.438) 11.455 5.519 ( -6.490 0.000 9.438) 11.455 6.183 ( 5.041 0.000 -7.274) 8.850 6.183 ( 5.041 0.000 7.274) 8.850 6.468 ( 2.059 0.000 -0.702) 2.175 6.468 ( 2.059 0.000 0.702) 2.175 6.470 ( 5.152 0.000 -2.383) 5.677 6.470 ( 5.152 0.000 2.383) 5.677 6.753 ( -1.688 0.000 -0.955) 1.940 6.753 ( -1.688 0.000 0.955) 1.940 7.806 ( 13.562 0.000 -6.081) 14.863 7.806 ( 13.562 0.000 6.081) 14.863 8.572 ( -10.080 0.000 -8.001) 12.869 8.572 ( -10.080 0.000 8.001) 12.869======================= Grid point 279 (88/112) =======================q-point: ( 0.43 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.020 ( 16.632 0.000 -7.939) 18.430 2.020 ( 16.632 0.000 7.939) 18.430 2.282 ( 12.192 0.000 -6.610) 13.869 2.282 ( 12.192 0.000 6.610) 13.869 2.688 ( -14.897 0.000 -6.223) 16.144 2.688 ( -14.897 0.000 6.223) 16.144 2.856 ( -2.068 0.000 -3.901) 4.416 2.856 ( -2.068 0.000 3.901) 4.416 3.569 ( -7.625 0.000 -4.845) 9.034 3.569 ( -7.625 0.000 4.845) 9.034 3.719 ( -4.405 0.000 -6.348) 7.727 3.719 ( -4.405 0.000 6.348) 7.727 3.748 ( -0.048 0.000 -1.031) 1.032 3.748 ( -0.048 0.000 1.031) 1.032 4.340 ( 1.477 0.000 -0.441) 1.541 4.340 ( 1.477 0.000 0.441) 1.541 4.499 ( 17.777 0.000 -21.274) 27.724 4.499 ( 17.777 0.000 21.274) 27.724 4.886 ( -15.561 0.000 -9.442) 18.201 4.886 ( -15.561 0.000 9.442) 18.201 5.240 ( 0.074 0.000 -7.418) 7.419 5.240 ( 0.074 0.000 7.418) 7.419 5.417 ( -3.298 0.000 -6.008) 6.854 5.417 ( -3.298 0.000 6.008) 6.854 6.268 ( 2.695 0.000 -3.769) 4.634 6.268 ( 2.695 0.000 3.769) 4.634 6.504 ( 1.165 0.000 -0.238) 1.189 6.504 ( 1.165 0.000 0.238) 1.189 6.524 ( 0.770 0.000 -2.110) 2.246 6.524 ( 0.770 0.000 2.110) 2.246 6.723 ( -1.000 0.000 -0.359) 1.062 6.723 ( -1.000 0.000 0.359) 1.062 8.066 ( 11.062 0.000 -4.863) 12.084 8.066 ( 11.062 0.000 4.863) 12.084 8.366 ( -9.511 0.000 -5.398) 10.936 8.366 ( -9.511 0.000 5.398) 10.936======================= Grid point 287 (89/112) =======================q-point: ( 0.00 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( 0.000 25.783 -13.447) 29.079 1.339 ( 0.000 25.783 13.447) 29.079 1.770 ( 0.000 4.011 -24.170) 24.500 1.770 ( 0.000 4.011 24.170) 24.500 2.778 ( 0.000 1.196 -14.538) 14.587 2.778 ( 0.000 1.196 14.538) 14.587 3.328 ( 0.000 -8.248 -13.233) 15.593 3.328 ( 0.000 -8.248 13.233) 15.593 3.631 ( 0.000 -3.676 -1.605) 4.011 3.631 ( 0.000 -3.676 1.605) 4.011 3.749 ( 0.000 1.073 -6.857) 6.941 3.749 ( 0.000 1.073 6.857) 6.941 4.071 ( 0.000 10.837 -6.668) 12.725 4.071 ( 0.000 10.837 6.668) 12.725 4.238 ( 0.000 8.210 -4.016) 9.139 4.238 ( 0.000 8.210 4.016) 9.139 4.754 ( 0.000 4.884 -4.017) 6.324 4.754 ( 0.000 4.884 4.017) 6.324 4.841 ( 0.000 -1.127 -14.242) 14.286 4.841 ( 0.000 -1.127 14.242) 14.286 5.562 ( 0.000 -7.820 -1.830) 8.031 5.562 ( 0.000 -7.820 1.830) 8.031 5.658 ( 0.000 -6.172 -6.231) 8.770 5.658 ( 0.000 -6.172 6.231) 8.770 5.982 ( 0.000 -1.838 -1.624) 2.452 5.982 ( 0.000 -1.838 1.624) 2.452 6.191 ( 0.000 -3.789 -8.750) 9.535 6.191 ( 0.000 -3.789 8.750) 9.535 6.584 ( 0.000 12.080 -3.502) 12.578 6.584 ( 0.000 12.080 3.502) 12.578 6.873 ( 0.000 7.410 -0.777) 7.451 6.873 ( 0.000 7.410 0.777) 7.451 7.422 ( 0.000 -2.483 -8.027) 8.402 7.422 ( 0.000 -2.483 8.027) 8.402 8.743 ( 0.000 -8.242 -11.261) 13.955 8.743 ( 0.000 -8.242 11.261) 13.955======================= Grid point 289 (90/112) =======================q-point: ( 0.14 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( 10.337 20.569 -13.328) 26.600 1.452 ( 10.337 20.569 13.328) 26.600 1.821 ( 6.205 4.940 -21.275) 22.705 1.821 ( 6.205 4.940 21.275) 22.705 2.811 ( 2.404 0.589 -7.975) 8.350 2.811 ( 2.404 0.589 7.975) 8.350 3.345 ( -0.826 -1.284 -10.550) 10.660 3.345 ( -0.826 -1.284 10.550) 10.660 3.560 ( -4.492 -5.218 -7.038) 9.845 3.560 ( -4.492 -5.218 7.038) 9.845 3.727 ( -2.359 -3.033 -3.965) 5.521 3.727 ( -2.359 -3.033 3.965) 5.521 4.043 ( -0.926 6.942 -6.295) 9.417 4.043 ( -0.926 6.942 6.295) 9.417 4.299 ( 4.235 9.465 -5.369) 11.677 4.299 ( 4.235 9.465 5.369) 11.677 4.506 ( -14.799 7.818 -9.494) 19.243 4.506 ( -14.799 7.818 9.494) 19.243 4.988 ( 6.292 -1.698 -5.382) 8.452 4.988 ( 6.292 -1.698 5.382) 8.452 5.441 ( -7.163 -8.191 -0.477) 10.892 5.441 ( -7.163 -8.191 0.477) 10.892 5.644 ( -6.380 -2.724 -2.296) 7.308 5.644 ( -6.380 -2.724 2.296) 7.308 6.040 ( 5.932 -3.036 -3.730) 7.637 6.040 ( 5.932 -3.036 3.730) 7.637 6.233 ( 3.643 -5.251 -5.427) 8.384 6.233 ( 3.643 -5.251 5.427) 8.384 6.603 ( 1.451 11.197 -3.790) 11.910 6.603 ( 1.451 11.197 3.790) 11.910 6.875 ( 0.327 8.433 -0.979) 8.496 6.875 ( 0.327 8.433 0.979) 8.496 7.523 ( 9.341 -3.298 -7.262) 12.283 7.523 ( 9.341 -3.298 7.262) 12.283 8.674 ( -6.395 -7.565 -9.855) 13.973 8.674 ( -6.395 -7.565 9.855) 13.973======================= Grid point 291 (91/112) =======================q-point: ( 0.29 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 14.562 8.407 -10.927) 20.052 1.712 ( 14.562 8.407 10.927) 20.052 2.052 ( 16.200 8.357 -14.086) 23.036 2.052 ( 16.200 8.357 14.086) 23.036 2.844 ( 0.352 -0.638 -4.767) 4.823 2.844 ( 0.352 -0.638 4.767) 4.823 3.164 ( -14.905 10.513 -8.476) 20.113 3.164 ( -14.905 10.513 8.476) 20.113 3.559 ( 0.755 -11.268 -8.748) 14.285 3.559 ( 0.755 -11.268 8.748) 14.285 3.651 ( -4.260 -6.746 -4.046) 8.945 3.651 ( -4.260 -6.746 4.046) 8.945 4.009 ( -6.234 5.648 -7.622) 11.352 4.009 ( -6.234 5.648 7.622) 11.352 4.288 ( 0.301 7.986 -12.539) 14.869 4.288 ( 0.301 7.986 12.539) 14.869 4.408 ( 4.937 10.528 -8.205) 14.232 4.408 ( 4.937 10.528 8.205) 14.232 5.068 ( 1.074 -0.822 -7.715) 7.833 5.068 ( 1.074 -0.822 7.715) 7.833 5.283 ( -8.974 -4.824 -9.776) 14.120 5.283 ( -8.974 -4.824 9.776) 14.120 5.471 ( -7.853 -3.604 -10.522) 13.615 5.471 ( -7.853 -3.604 10.522) 13.615 6.159 ( 5.083 -1.990 -4.414) 7.020 6.159 ( 5.083 -1.990 4.414) 7.020 6.314 ( 3.745 -7.852 -1.784) 8.881 6.314 ( 3.745 -7.852 1.784) 8.881 6.621 ( 0.016 8.713 -3.419) 9.360 6.621 ( 0.016 8.713 3.419) 9.360 6.888 ( 0.768 10.713 -0.909) 10.779 6.888 ( 0.768 10.713 0.909) 10.779 7.760 ( 13.040 -4.548 -6.035) 15.072 7.760 ( 13.040 -4.548 6.035) 15.072 8.509 ( -9.415 -6.257 -7.367) 13.493 8.509 ( -9.415 -6.257 7.367) 13.493======================= Grid point 293 (92/112) =======================q-point: ( 0.43 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( 9.999 -1.200 -4.310) 10.954 1.988 ( 9.999 -1.200 4.310) 10.954 2.420 ( 18.684 10.604 -8.538) 23.118 2.420 ( 18.684 10.604 8.538) 23.118 2.767 ( -12.278 6.571 -8.282) 16.202 2.767 ( -12.278 6.571 8.282) 16.202 2.884 ( -6.997 3.538 -5.040) 9.321 2.884 ( -6.997 3.538 5.040) 9.321 3.474 ( -5.172 -7.446 -1.891) 9.261 3.474 ( -5.172 -7.446 1.891) 9.261 3.624 ( -0.096 -6.260 -3.426) 7.137 3.624 ( -0.096 -6.260 3.426) 7.137 3.868 ( -4.150 9.170 -3.850) 10.776 3.868 ( -4.150 9.170 3.850) 10.776 4.369 ( 2.648 2.317 -2.399) 4.259 4.369 ( 2.648 2.317 2.399) 4.259 4.585 ( 12.573 7.575 -18.612) 23.704 4.585 ( 12.573 7.575 18.612) 23.704 4.938 ( -12.812 5.212 -8.460) 16.214 4.938 ( -12.812 5.212 8.460) 16.214 5.181 ( -0.504 -5.458 -5.351) 7.660 5.181 ( -0.504 -5.458 5.351) 7.660 5.369 ( -2.439 -4.194 -4.575) 6.668 5.369 ( -2.439 -4.194 4.575) 6.668 6.236 ( 2.266 -2.321 -2.791) 4.279 6.236 ( 2.266 -2.321 2.791) 4.279 6.365 ( 1.190 -9.384 -1.315) 9.550 6.365 ( 1.190 -9.384 1.315) 9.550 6.611 ( -0.540 8.118 -1.391) 8.254 6.611 ( -0.540 8.118 1.391) 8.254 6.899 ( 0.284 12.008 -0.347) 12.017 6.899 ( 0.284 12.008 0.347) 12.017 8.011 ( 10.453 -5.581 -4.572) 12.701 8.011 ( 10.453 -5.581 4.572) 12.701 8.315 ( -8.832 -5.040 -4.937) 11.304 8.315 ( -8.832 -5.040 4.937) 11.304======================= Grid point 301 (93/112) =======================q-point: ( 0.00 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 0.000 16.567 -2.253) 16.720 1.832 ( 0.000 16.567 2.253) 16.720 1.936 ( 0.000 18.264 -10.147) 20.894 1.936 ( 0.000 18.264 10.147) 20.894 2.820 ( 0.000 3.130 -10.415) 10.875 2.820 ( 0.000 3.130 10.415) 10.875 3.175 ( 0.000 -6.944 -9.041) 11.400 3.175 ( 0.000 -6.944 9.041) 11.400 3.580 ( 0.000 0.117 -4.785) 4.786 3.580 ( 0.000 0.117 4.785) 4.786 3.732 ( 0.000 -1.390 -3.159) 3.451 3.732 ( 0.000 -1.390 3.159) 3.451 4.321 ( 0.000 6.643 -3.857) 7.681 4.321 ( 0.000 6.643 3.857) 7.681 4.420 ( 0.000 12.365 -15.693) 19.979 4.420 ( 0.000 12.365 15.693) 19.979 4.769 ( 0.000 -0.548 -3.407) 3.451 4.769 ( 0.000 -0.548 3.407) 3.451 4.901 ( 0.000 5.670 -14.894) 15.937 4.901 ( 0.000 5.670 14.894) 15.937 5.365 ( 0.000 -8.206 -3.415) 8.888 5.365 ( 0.000 -8.206 3.415) 8.888 5.600 ( 0.000 -2.375 -1.544) 2.833 5.600 ( 0.000 -2.375 1.544) 2.833 5.949 ( 0.000 -1.262 -1.872) 2.258 5.949 ( 0.000 -1.262 1.872) 2.258 6.107 ( 0.000 -4.141 -7.772) 8.806 6.107 ( 0.000 -4.141 7.772) 8.806 6.802 ( 0.000 9.892 -4.877) 11.029 6.802 ( 0.000 9.892 4.877) 11.029 7.029 ( 0.000 6.742 -5.403) 8.640 7.029 ( 0.000 6.742 5.403) 8.640 7.363 ( 0.000 -2.977 -7.710) 8.265 7.363 ( 0.000 -2.977 7.710) 8.265 8.536 ( 0.000 -12.296 -8.684) 15.053 8.536 ( 0.000 -12.296 8.684) 15.053======================= Grid point 303 (94/112) =======================q-point: ( 0.14 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( -0.286 13.310 -11.993) 17.918 1.816 ( -0.286 13.310 11.993) 17.918 2.035 ( 9.381 17.665 -15.387) 25.236 2.035 ( 9.381 17.665 15.387) 25.236 2.835 ( 0.800 1.743 -2.753) 3.355 2.835 ( 0.800 1.743 2.753) 3.355 3.236 ( 5.183 -7.391 -6.845) 11.329 3.236 ( 5.183 -7.391 6.845) 11.329 3.551 ( -3.096 1.793 -5.971) 6.961 3.551 ( -3.096 1.793 5.971) 6.961 3.676 ( -5.578 0.189 -4.258) 7.020 3.676 ( -5.578 0.189 4.258) 7.020 4.205 ( -6.463 7.264 -3.802) 10.440 4.205 ( -6.463 7.264 3.802) 10.440 4.490 ( 2.883 7.076 -14.342) 16.250 4.490 ( 2.883 7.076 14.342) 16.250 4.662 ( -7.663 8.229 -9.716) 14.861 4.662 ( -7.663 8.229 9.716) 14.861 4.956 ( 3.303 0.197 -9.625) 10.178 4.956 ( 3.303 0.197 9.625) 10.178 5.278 ( -4.645 -7.040 -2.464) 8.787 5.278 ( -4.645 -7.040 2.464) 8.787 5.608 ( -4.057 -0.588 -3.288) 5.255 5.608 ( -4.057 -0.588 3.288) 5.255 5.988 ( 5.271 -1.904 -2.596) 6.177 5.988 ( 5.271 -1.904 2.596) 6.177 6.136 ( 2.270 -4.652 -6.112) 8.009 6.136 ( 2.270 -4.652 6.112) 8.009 6.806 ( 0.020 9.389 -4.498) 10.410 6.806 ( 0.020 9.389 4.498) 10.410 7.048 ( 1.857 7.670 -4.218) 8.948 7.048 ( 1.857 7.670 4.218) 8.948 7.440 ( 7.410 -4.682 -7.038) 11.241 7.440 ( 7.410 -4.682 7.038) 11.241 8.482 ( -5.073 -11.523 -7.842) 14.833 8.482 ( -5.073 -11.523 7.842) 14.833======================= Grid point 305 (95/112) =======================q-point: ( 0.29 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 5.775 7.919 -8.108) 12.720 1.869 ( 5.775 7.919 8.108) 12.720 2.288 ( 14.843 13.491 -15.117) 25.117 2.288 ( 14.843 13.491 15.117) 25.117 2.840 ( -0.116 0.020 -5.984) 5.986 2.840 ( -0.116 0.020 5.984) 5.986 3.266 ( -6.608 -5.815 -5.498) 10.378 3.266 ( -6.608 -5.815 5.498) 10.378 3.454 ( -5.808 1.619 -9.681) 11.405 3.454 ( -5.808 1.619 9.681) 11.405 3.563 ( -2.630 3.198 -7.396) 8.477 3.563 ( -2.630 3.198 7.396) 8.477 4.123 ( -2.322 5.626 -8.628) 10.559 4.123 ( -2.322 5.626 8.628) 10.559 4.452 ( -4.695 6.768 -9.619) 12.664 4.452 ( -4.695 6.768 9.619) 12.664 4.613 ( 3.547 9.455 -12.109) 15.767 4.613 ( 3.547 9.455 12.109) 15.767 5.003 ( 0.958 -4.466 -7.769) 9.012 5.003 ( 0.958 -4.466 7.769) 9.012 5.221 ( -1.506 -1.577 -3.975) 4.534 5.221 ( -1.506 -1.577 3.975) 4.534 5.442 ( -10.214 2.726 -10.068) 14.599 5.442 ( -10.214 2.726 10.068) 14.599 6.109 ( 5.056 -3.395 -2.675) 6.651 6.109 ( 5.056 -3.395 2.675) 6.651 6.186 ( 2.460 -4.914 -7.497) 9.295 6.186 ( 2.460 -4.914 7.497) 9.295 6.796 ( -0.859 8.666 -3.033) 9.221 6.796 ( -0.859 8.666 3.033) 9.221 7.089 ( 1.793 8.868 -2.081) 9.284 7.089 ( 1.793 8.868 2.081) 9.284 7.640 ( 11.471 -7.341 -5.729) 14.775 7.640 ( 11.471 -7.341 5.729) 14.775 8.346 ( -7.911 -9.893 -6.166) 14.088 8.346 ( -7.911 -9.893 6.166) 14.088======================= Grid point 307 (96/112) =======================q-point: ( 0.43 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( 5.405 2.955 -2.175) 6.533 2.005 ( 5.405 2.955 2.175) 6.533 2.597 ( 14.107 6.448 -12.310) 19.802 2.597 ( 14.107 6.448 12.310) 19.802 2.839 ( 0.677 0.989 -9.945) 10.017 2.839 ( 0.677 0.989 9.945) 10.017 3.010 ( -14.870 5.772 -2.465) 16.140 3.010 ( -14.870 5.772 2.465) 16.140 3.337 ( -4.264 -5.621 -2.553) 7.503 3.337 ( -4.264 -5.621 2.553) 7.503 3.566 ( 0.760 2.628 -2.571) 3.755 3.566 ( 0.760 2.628 2.571) 3.755 4.076 ( -1.874 11.070 -5.330) 12.428 4.076 ( -1.874 11.070 5.330) 12.428 4.413 ( -0.025 1.739 -1.912) 2.585 4.413 ( -0.025 1.739 1.912) 2.585 4.740 ( 8.018 7.408 -18.914) 21.839 4.740 ( 8.018 7.408 18.914) 21.839 4.967 ( -5.019 -5.754 -12.543) 14.684 4.967 ( -5.019 -5.754 12.543) 14.684 5.182 ( -2.416 9.678 -1.910) 10.156 5.182 ( -2.416 9.678 1.910) 10.156 5.290 ( -3.019 -2.195 -5.641) 6.764 5.290 ( -3.019 -2.195 5.641) 6.764 6.184 ( 2.644 -4.337 -6.771) 8.465 6.184 ( 2.644 -4.337 6.771) 8.465 6.214 ( -0.097 -4.853 -7.936) 9.303 6.214 ( -0.097 -4.853 7.936) 9.303 6.781 ( -0.404 8.571 -1.066) 8.646 6.781 ( -0.404 8.571 1.066) 8.646 7.113 ( 0.559 9.248 -0.574) 9.283 7.113 ( 0.559 9.248 0.574) 9.283 7.861 ( 8.821 -9.355 -3.822) 13.414 7.861 ( 8.821 -9.355 3.822) 13.414 8.183 ( -7.136 -8.096 -3.929) 11.485 8.183 ( -7.136 -8.096 3.929) 11.485======================= Grid point 315 (97/112) =======================q-point: ( 0.00 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.063 ( 0.000 11.628 -3.137) 12.044 2.063 ( 0.000 11.628 3.137) 12.044 2.329 ( 0.000 16.863 -6.683) 18.139 2.329 ( 0.000 16.863 6.683) 18.139 2.888 ( 0.000 3.257 -1.421) 3.554 2.888 ( 0.000 3.257 1.421) 3.554 3.077 ( 0.000 -2.807 -1.592) 3.227 3.077 ( 0.000 -2.807 1.592) 3.227 3.613 ( 0.000 1.384 -9.661) 9.760 3.613 ( 0.000 1.384 9.661) 9.760 3.750 ( 0.000 4.319 -5.998) 7.391 3.750 ( 0.000 4.319 5.998) 7.391 4.292 ( 0.000 -7.030 -5.803) 9.116 4.292 ( 0.000 -7.030 5.803) 9.116 4.619 ( 0.000 7.772 -11.400) 13.797 4.619 ( 0.000 7.772 11.400) 13.797 4.784 ( 0.000 -0.688 -17.948) 17.961 4.784 ( 0.000 -0.688 17.948) 17.961 5.035 ( 0.000 7.700 -4.927) 9.141 5.035 ( 0.000 7.700 4.927) 9.141 5.291 ( 0.000 -0.252 -0.025) 0.253 5.291 ( 0.000 -0.252 0.025) 0.253 5.562 ( 0.000 -0.245 -0.724) 0.764 5.562 ( 0.000 -0.245 0.724) 0.764 5.901 ( 0.000 -4.734 -1.968) 5.127 5.901 ( 0.000 -4.734 1.968) 5.127 6.104 ( 0.000 5.933 -7.391) 9.478 6.104 ( 0.000 5.933 7.391) 9.478 6.959 ( 0.000 5.134 -6.003) 7.899 6.959 ( 0.000 5.134 6.003) 7.899 7.081 ( 0.000 -0.677 -9.891) 9.914 7.081 ( 0.000 -0.677 9.891) 9.914 7.340 ( 0.000 0.749 -5.153) 5.207 7.340 ( 0.000 0.749 5.153) 5.207 8.286 ( 0.000 -12.958 -7.036) 14.745 8.286 ( 0.000 -12.958 7.036) 14.745======================= Grid point 317 (98/112) =======================q-point: ( 0.14 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( -1.486 11.694 -5.653) 13.074 2.045 ( -1.486 11.694 5.653) 13.074 2.366 ( 4.413 14.055 -14.872) 20.933 2.366 ( 4.413 14.055 14.872) 20.933 2.872 ( -1.346 2.002 -4.966) 5.521 2.872 ( -1.346 2.002 4.966) 5.521 3.124 ( 3.168 -3.703 -3.437) 5.963 3.124 ( 3.168 -3.703 3.437) 5.963 3.536 ( -6.038 -2.337 -7.204) 9.686 3.536 ( -6.038 -2.337 7.204) 9.686 3.796 ( 2.462 9.778 -9.719) 14.005 3.796 ( 2.462 9.778 9.719) 14.005 4.268 ( -3.179 -2.027 -2.765) 4.676 4.268 ( -3.179 -2.027 2.765) 4.676 4.492 ( -5.680 -2.643 -6.002) 8.676 4.492 ( -5.680 -2.643 6.002) 8.676 4.845 ( 0.210 8.878 -4.650) 10.025 4.845 ( 0.210 8.878 4.650) 10.025 5.042 ( 0.111 6.199 -7.157) 9.469 5.042 ( 0.111 6.199 7.157) 9.469 5.172 ( -5.428 -3.606 -6.299) 9.064 5.172 ( -5.428 -3.606 6.299) 9.064 5.635 ( 2.629 3.172 -2.438) 4.787 5.635 ( 2.629 3.172 2.438) 4.787 5.963 ( 5.236 -2.139 -4.693) 7.349 5.963 ( 5.236 -2.139 4.693) 7.349 6.089 ( -0.696 2.681 -7.408) 7.909 6.089 ( -0.696 2.681 7.408) 7.909 6.956 ( -0.552 5.158 -2.010) 5.564 6.956 ( -0.552 5.158 2.010) 5.564 7.125 ( 3.989 0.171 -6.181) 7.358 7.125 ( 3.989 0.171 6.181) 7.358 7.375 ( 3.741 -1.297 -4.740) 6.177 7.375 ( 3.741 -1.297 4.740) 6.177 8.246 ( -3.860 -12.374 -6.511) 14.506 8.246 ( -3.860 -12.374 6.511) 14.506======================= Grid point 319 (99/112) =======================q-point: ( 0.29 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( 1.486 9.408 -3.419) 10.119 2.038 ( 1.486 9.408 3.419) 10.119 2.504 ( 8.353 7.824 -17.994) 21.325 2.504 ( 8.353 7.824 17.994) 21.325 2.844 ( -1.016 0.823 -9.715) 9.802 2.844 ( -1.016 0.823 9.715) 9.802 3.141 ( -2.264 -4.478 -6.248) 8.013 3.141 ( -2.264 -4.478 6.248) 8.013 3.403 ( -6.929 -3.371 -5.009) 9.190 3.403 ( -6.929 -3.371 5.009) 9.190 3.782 ( -3.890 12.157 -5.126) 13.755 3.782 ( -3.890 12.157 5.126) 13.755 4.216 ( 0.324 3.556 -6.694) 7.587 4.216 ( 0.324 3.556 6.694) 7.587 4.448 ( -1.118 -6.381 -11.379) 13.094 4.448 ( -1.118 -6.381 11.379) 13.094 4.774 ( -3.746 6.214 -10.266) 12.572 4.774 ( -3.746 6.214 10.266) 12.572 5.015 ( -2.037 5.704 -2.618) 6.598 5.015 ( -2.037 5.704 2.618) 6.598 5.178 ( 3.749 -1.144 -13.078) 13.653 5.178 ( 3.749 -1.144 13.078) 13.653 5.614 ( -4.273 12.947 -2.679) 13.895 5.614 ( -4.273 12.947 2.679) 13.895 6.042 ( 2.245 -2.260 -4.330) 5.375 6.042 ( 2.245 -2.260 4.330) 5.375 6.117 ( 3.018 -2.400 -8.578) 9.405 6.117 ( 3.018 -2.400 8.578) 9.405 6.939 ( -0.913 5.548 -2.479) 6.145 6.939 ( -0.913 5.548 2.479) 6.145 7.203 ( 2.890 2.278 -2.454) 4.423 7.203 ( 2.890 2.278 2.454) 4.423 7.500 ( 8.376 -6.076 -4.277) 11.197 7.500 ( 8.376 -6.076 4.277) 11.197 8.140 ( -6.283 -10.978 -5.257) 13.698 8.140 ( -6.283 -10.978 5.257) 13.698======================= Grid point 321 (100/112) =======================q-point: ( 0.43 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.092 ( 2.569 5.543 -1.255) 6.237 2.092 ( 2.569 5.543 1.255) 6.237 2.639 ( 3.169 -2.396 -9.854) 10.625 2.639 ( 3.169 -2.396 9.854) 10.625 2.873 ( 5.234 3.693 -7.457) 9.830 2.873 ( 5.234 3.693 7.457) 9.830 3.045 ( -6.698 0.188 -4.476) 8.058 3.045 ( -6.698 0.188 4.476) 8.058 3.264 ( -5.233 -2.202 -1.642) 5.910 3.264 ( -5.233 -2.202 1.642) 5.910 3.715 ( -1.629 9.401 -2.425) 9.845 3.715 ( -1.629 9.401 2.425) 9.845 4.250 ( 1.444 5.813 -7.034) 9.239 4.250 ( 1.444 5.813 7.034) 9.239 4.402 ( -2.300 -4.113 -5.853) 7.514 4.402 ( -2.300 -4.113 5.853) 7.514 4.773 ( 2.241 -2.419 -8.847) 9.441 4.773 ( 2.241 -2.419 8.847) 9.441 4.970 ( -2.003 5.075 -3.521) 6.494 4.970 ( -2.003 5.075 3.521) 6.494 5.261 ( 3.492 5.932 -6.549) 9.501 5.261 ( 3.492 5.932 6.549) 9.501 5.506 ( -4.763 17.700 -3.871) 18.734 5.506 ( -4.763 17.700 3.871) 18.734 6.083 ( 1.545 -4.325 -2.613) 5.284 6.083 ( 1.545 -4.325 2.613) 5.284 6.155 ( 0.529 -2.837 -4.185) 5.083 6.155 ( 0.529 -2.837 4.185) 5.083 6.926 ( -0.326 6.011 -1.152) 6.129 6.926 ( -0.326 6.011 1.152) 6.129 7.238 ( 0.728 2.961 -0.543) 3.097 7.238 ( 0.728 2.961 0.543) 3.097 7.670 ( 6.650 -9.355 -2.809) 11.816 7.670 ( 6.650 -9.355 2.809) 11.816 8.012 ( -5.228 -9.209 -3.001) 11.007 8.012 ( -5.228 -9.209 3.001) 11.007======================= Grid point 329 (101/112) =======================q-point: ( 0.00 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.295 ( 0.000 11.637 -3.132) 12.051 2.295 ( 0.000 11.637 3.132) 12.051 2.582 ( 0.000 9.520 -9.452) 13.416 2.582 ( 0.000 9.520 9.452) 13.416 2.935 ( 0.000 1.999 -5.701) 6.042 2.935 ( 0.000 1.999 5.701) 6.042 3.068 ( 0.000 1.831 -7.067) 7.300 3.068 ( 0.000 1.831 7.067) 7.300 3.597 ( 0.000 -3.215 -7.344) 8.017 3.597 ( 0.000 -3.215 7.344) 8.017 3.860 ( 0.000 4.762 -1.331) 4.944 3.860 ( 0.000 4.762 1.331) 4.944 4.150 ( 0.000 -5.515 -0.812) 5.575 4.150 ( 0.000 -5.515 0.812) 5.575 4.679 ( 0.000 -4.559 -15.253) 15.920 4.679 ( 0.000 -4.559 15.253) 15.920 4.785 ( 0.000 4.262 -12.310) 13.026 4.785 ( 0.000 4.262 12.310) 13.026 5.160 ( 0.000 4.294 -2.136) 4.796 5.160 ( 0.000 4.294 2.136) 4.796 5.273 ( 0.000 -0.973 -7.816) 7.877 5.273 ( 0.000 -0.973 7.816) 7.877 5.638 ( 0.000 6.827 -0.938) 6.891 5.638 ( 0.000 6.827 0.938) 6.891 5.794 ( 0.000 -4.730 -1.988) 5.131 5.794 ( 0.000 -4.730 1.988) 5.131 6.328 ( 0.000 15.536 -8.718) 17.815 6.328 ( 0.000 15.536 8.718) 17.815 6.912 ( 0.000 -7.621 -11.775) 14.026 6.912 ( 0.000 -7.621 11.775) 14.026 7.130 ( 0.000 4.512 -5.843) 7.382 7.130 ( 0.000 4.512 5.843) 7.382 7.355 ( 0.000 -0.043 -3.975) 3.975 7.355 ( 0.000 -0.043 3.975) 3.975 8.038 ( 0.000 -12.322 -5.864) 13.646 8.038 ( 0.000 -12.322 5.864) 13.646======================= Grid point 331 (102/112) =======================q-point: ( 0.14 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.273 ( -2.322 11.086 -2.258) 11.550 2.273 ( -2.322 11.086 2.258) 11.550 2.573 ( 0.011 7.517 -14.267) 16.126 2.573 ( 0.011 7.517 14.267) 16.126 2.918 ( -1.428 2.982 -6.881) 7.634 2.918 ( -1.428 2.982 6.881) 7.634 3.098 ( 1.968 1.141 -8.786) 9.076 3.098 ( 1.968 1.141 8.786) 9.076 3.480 ( -7.886 -3.521 -5.998) 10.515 3.480 ( -7.886 -3.521 5.998) 10.515 3.948 ( 4.176 2.687 -3.789) 6.246 3.948 ( 4.176 2.687 3.789) 6.246 4.161 ( 1.176 -4.427 -2.491) 5.215 4.161 ( 1.176 -4.427 2.491) 5.215 4.488 ( -9.643 0.904 -7.064) 11.988 4.488 ( -9.643 0.904 7.064) 11.988 4.914 ( 1.518 -3.487 -2.391) 4.492 4.914 ( 1.518 -3.487 2.391) 4.492 5.092 ( -2.985 1.636 -11.814) 12.294 5.092 ( -2.985 1.636 11.814) 12.294 5.238 ( -0.622 9.322 -5.768) 10.980 5.238 ( -0.622 9.322 5.768) 10.980 5.701 ( 5.085 2.876 -1.421) 6.013 5.701 ( 5.085 2.876 1.421) 6.013 5.892 ( 7.358 -3.342 -5.326) 9.679 5.892 ( 7.358 -3.342 5.326) 9.679 6.288 ( -3.800 15.574 -9.388) 18.577 6.288 ( -3.800 15.574 9.388) 18.577 6.939 ( 2.206 -6.423 -9.026) 11.296 6.939 ( 2.206 -6.423 9.026) 11.296 7.151 ( 2.026 3.350 -3.781) 5.443 7.151 ( 2.026 3.350 3.781) 5.443 7.365 ( 1.230 -0.836 -3.082) 3.422 7.365 ( 1.230 -0.836 3.082) 3.422 8.008 ( -2.951 -11.902 -5.470) 13.427 8.008 ( -2.951 -11.902 5.470) 13.427======================= Grid point 333 (103/112) =======================q-point: ( 0.29 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.220 ( -2.086 8.697 -4.461) 9.995 2.220 ( -2.086 8.697 4.461) 9.995 2.583 ( -0.074 0.756 -14.546) 14.566 2.583 ( -0.074 0.756 14.546) 14.566 2.895 ( 0.161 4.581 -7.495) 8.786 2.895 ( 0.161 4.581 7.495) 8.786 3.119 ( -0.008 2.262 -10.076) 10.327 3.119 ( -0.008 2.262 10.076) 10.327 3.344 ( -5.557 -2.840 -4.849) 7.903 3.344 ( -5.557 -2.840 4.849) 7.903 3.927 ( -5.233 0.969 -4.743) 7.129 3.927 ( -5.233 0.969 4.743) 7.129 4.194 ( 1.734 -4.956 -5.732) 7.773 4.194 ( 1.734 -4.956 5.732) 7.773 4.386 ( -1.700 1.919 -3.575) 4.399 4.386 ( -1.700 1.919 3.575) 4.399 4.814 ( -5.477 -1.984 -7.564) 9.547 4.814 ( -5.477 -1.984 7.564) 9.547 5.057 ( -2.947 -0.373 -7.997) 8.531 5.057 ( -2.947 -0.373 7.997) 8.531 5.338 ( 9.211 15.163 -7.682) 19.333 5.338 ( 9.211 15.163 7.682) 19.333 5.801 ( 3.873 3.920 -1.217) 5.643 5.801 ( 3.873 3.920 1.217) 5.643 6.013 ( 3.756 -2.555 -3.774) 5.906 6.013 ( 3.756 -2.555 3.774) 5.906 6.192 ( -4.952 13.322 -10.106) 17.439 6.192 ( -4.952 13.322 10.106) 17.439 6.982 ( 1.810 -2.049 -6.181) 6.759 6.982 ( 1.810 -2.049 6.181) 6.759 7.196 ( 1.677 -1.181 -2.413) 3.167 7.196 ( 1.677 -1.181 2.413) 3.167 7.422 ( 4.735 -2.565 -1.304) 5.541 7.422 ( 4.735 -2.565 1.304) 5.541 7.926 ( -4.843 -10.773 -4.405) 12.606 7.926 ( -4.843 -10.773 4.405) 12.606======================= Grid point 335 (104/112) =======================q-point: ( 0.43 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.202 ( 0.041 5.355 -3.153) 6.214 2.202 ( 0.041 5.355 3.153) 6.214 2.551 ( -2.014 -5.377 -5.315) 7.825 2.551 ( -2.014 -5.377 5.315) 7.825 2.960 ( 5.895 4.485 -4.996) 8.934 2.960 ( 5.895 4.485 4.996) 8.934 3.087 ( -4.021 4.170 -9.430) 11.067 3.087 ( -4.021 4.170 9.430) 11.067 3.248 ( -3.130 0.970 -1.638) 3.664 3.248 ( -3.130 0.970 1.638) 3.664 3.838 ( -2.260 2.164 -2.767) 4.177 3.838 ( -2.260 2.164 2.767) 4.177 4.231 ( 1.884 -7.834 -6.654) 10.449 4.231 ( 1.884 -7.834 6.654) 10.449 4.330 ( -3.451 -0.726 -4.899) 6.036 4.330 ( -3.451 -0.726 4.899) 6.036 4.780 ( 0.895 2.392 -4.044) 4.783 4.780 ( 0.895 2.392 4.044) 4.783 4.995 ( -2.285 -1.016 -1.744) 3.049 4.995 ( -2.285 -1.016 1.744) 3.049 5.525 ( 7.438 17.626 -5.609) 19.936 5.525 ( 7.438 17.626 5.609) 19.936 5.814 ( -2.528 9.748 -1.707) 10.214 5.814 ( -2.528 9.748 1.707) 10.214 6.058 ( 1.924 1.821 -2.917) 3.940 6.058 ( 1.924 1.821 2.917) 3.940 6.117 ( -2.537 2.957 -6.736) 7.782 6.117 ( -2.537 2.957 6.736) 7.782 7.009 ( 0.752 2.234 -2.795) 3.657 7.009 ( 0.752 2.234 2.795) 3.657 7.210 ( 0.065 -5.558 -1.524) 5.763 7.210 ( 0.065 -5.558 1.524) 5.763 7.533 ( 4.648 -4.337 -1.795) 6.606 7.533 ( 4.648 -4.337 1.795) 6.606 7.829 ( -3.871 -9.499 -2.351) 10.523 7.829 ( -3.871 -9.499 2.351) 10.523======================= Grid point 343 (105/112) =======================q-point: ( 0.00 0.42 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.485 ( 0.000 6.942 -4.336) 8.184 2.485 ( 0.000 6.942 4.336) 8.184 2.706 ( 0.000 3.481 -6.056) 6.985 2.706 ( 0.000 3.481 6.056) 6.985 2.995 ( 0.000 4.652 -5.328) 7.073 2.995 ( 0.000 4.652 5.328) 7.073 3.135 ( 0.000 4.220 -7.261) 8.398 3.135 ( 0.000 4.220 7.261) 8.398 3.486 ( 0.000 -7.482 -0.442) 7.495 3.486 ( 0.000 -7.482 0.442) 7.495 3.900 ( 0.000 -0.286 -0.066) 0.294 3.900 ( 0.000 -0.286 0.066) 0.294 4.115 ( 0.000 1.542 -6.070) 6.263 4.115 ( 0.000 1.542 6.070) 6.263 4.556 ( 0.000 -6.574 -12.421) 14.054 4.556 ( 0.000 -6.574 12.421) 14.054 4.849 ( 0.000 1.613 -3.998) 4.311 4.849 ( 0.000 1.613 3.998) 4.311 5.144 ( 0.000 -2.898 -3.099) 4.243 5.144 ( 0.000 -2.898 3.099) 4.243 5.358 ( 0.000 7.207 -6.122) 9.456 5.358 ( 0.000 7.207 6.122) 9.456 5.633 ( 0.000 -5.769 -0.330) 5.778 5.633 ( 0.000 -5.769 0.330) 5.778 5.881 ( 0.000 10.977 -5.517) 12.286 5.881 ( 0.000 10.977 5.517) 12.286 6.592 ( 0.000 4.349 -1.444) 4.583 6.592 ( 0.000 4.349 1.444) 4.583 6.794 ( 0.000 1.856 -4.032) 4.439 6.794 ( 0.000 1.856 4.032) 4.439 7.202 ( 0.000 2.682 -3.810) 4.659 7.202 ( 0.000 2.682 3.810) 4.659 7.323 ( 0.000 -3.424 -4.152) 5.382 7.323 ( 0.000 -3.424 4.152) 5.382 7.821 ( 0.000 -9.221 -3.579) 9.891 7.821 ( 0.000 -9.221 3.579) 9.891======================= Grid point 345 (106/112) =======================q-point: ( 0.14 0.42 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.448 ( -3.598 6.230 -4.570) 8.523 2.448 ( -3.598 6.230 4.570) 8.523 2.667 ( -3.549 2.491 -7.711) 8.846 2.667 ( -3.549 2.491 7.711) 8.846 3.003 ( 0.471 5.850 -5.685) 8.171 3.003 ( 0.471 5.850 5.685) 8.171 3.160 ( 2.311 4.424 -7.737) 9.207 3.160 ( 2.311 4.424 7.737) 9.207 3.391 ( -7.087 -5.630 -3.509) 9.708 3.391 ( -7.087 -5.630 3.509) 9.708 3.859 ( -2.524 -7.404 -5.657) 9.654 3.859 ( -2.524 -7.404 5.657) 9.654 4.206 ( 4.117 6.292 -9.127) 11.825 4.206 ( 4.117 6.292 9.127) 11.825 4.472 ( -4.755 -3.421 -12.546) 13.847 4.472 ( -4.755 -3.421 12.546) 13.847 4.809 ( -4.862 -4.858 -4.439) 8.182 4.809 ( -4.862 -4.858 4.439) 8.182 5.116 ( -1.653 0.518 -3.539) 3.940 5.116 ( -1.653 0.518 3.539) 3.940 5.434 ( 6.501 9.099 -7.077) 13.234 5.434 ( 6.501 9.099 7.077) 13.234 5.692 ( 5.784 -4.221 -4.697) 8.564 5.692 ( 5.784 -4.221 4.697) 8.564 5.927 ( 3.598 7.253 -4.155) 9.100 5.927 ( 3.598 7.253 4.155) 9.100 6.573 ( -2.158 8.325 -7.106) 11.156 6.573 ( -2.158 8.325 7.106) 11.156 6.820 ( 2.588 -1.045 -6.084) 6.694 6.820 ( 2.588 -1.045 6.084) 6.694 7.210 ( 0.281 2.162 -4.416) 4.924 7.210 ( 0.281 2.162 4.416) 4.924 7.321 ( 0.394 -3.829 -2.807) 4.764 7.321 ( 0.394 -3.829 2.807) 4.764 7.797 ( -2.220 -8.869 -3.302) 9.721 7.797 ( -2.220 -8.869 3.302) 9.721======================= Grid point 347 (107/112) =======================q-point: ( 0.29 0.42 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( -4.547 5.106 -5.713) 8.910 2.357 ( -4.547 5.106 5.713) 8.910 2.567 ( -6.156 -1.580 -5.771) 8.585 2.567 ( -6.156 -1.580 5.771) 8.585 3.011 ( 0.680 6.674 -5.202) 8.490 3.011 ( 0.680 6.674 5.202) 8.490 3.198 ( -0.488 3.443 -9.256) 9.888 3.198 ( -0.488 3.443 9.256) 9.888 3.298 ( -0.131 -0.546 -2.622) 2.681 3.298 ( -0.131 -0.546 2.622) 2.681 3.809 ( -2.477 -9.854 -7.200) 12.453 3.809 ( -2.477 -9.854 7.200) 12.453 4.176 ( -4.145 2.174 -4.022) 6.171 4.176 ( -4.145 2.174 4.022) 6.171 4.424 ( -4.173 0.996 -1.771) 4.641 4.424 ( -4.173 0.996 1.771) 4.641 4.734 ( 0.837 -4.771 -1.817) 5.174 4.734 ( 0.837 -4.771 1.817) 5.174 5.067 ( -3.531 0.994 -4.502) 5.807 5.067 ( -3.531 0.994 4.502) 5.807 5.598 ( 9.095 8.619 -5.722) 13.775 5.598 ( 9.095 8.619 5.722) 13.775 5.842 ( 7.804 1.178 -4.757) 9.216 5.842 ( 7.804 1.178 4.757) 9.216 5.990 ( 2.594 2.462 -2.160) 4.178 5.990 ( 2.594 2.462 2.160) 4.178 6.494 ( -5.658 13.247 -9.337) 17.166 6.494 ( -5.658 13.247 9.337) 17.166 6.892 ( 4.338 -4.172 -6.457) 8.827 6.892 ( 4.338 -4.172 6.457) 8.827 7.181 ( -3.332 -1.464 -6.425) 7.384 7.181 ( -3.332 -1.464 6.425) 7.384 7.372 ( 4.720 -2.564 -0.857) 5.440 7.372 ( 4.720 -2.564 0.857) 5.440 7.736 ( -3.692 -7.943 -2.639) 9.148 7.736 ( -3.692 -7.943 2.639) 9.148======================= Grid point 349 (108/112) =======================q-point: ( 0.43 0.42 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.292 ( -1.579 3.868 -3.356) 5.359 2.292 ( -1.579 3.868 3.356) 5.359 2.454 ( -3.761 -4.386 -1.917) 6.087 2.454 ( -3.761 -4.386 1.917) 6.087 3.047 ( 2.707 4.366 -4.028) 6.528 3.047 ( 2.707 4.366 4.028) 6.528 3.144 ( -3.406 0.542 -5.402) 6.409 3.144 ( -3.406 0.542 5.402) 6.409 3.339 ( 1.826 8.458 -1.926) 8.864 3.339 ( 1.826 8.458 1.926) 8.864 3.772 ( -0.914 -8.546 -4.174) 9.555 3.772 ( -0.914 -8.546 4.174) 9.555 4.133 ( 0.110 -1.024 -2.875) 3.055 4.133 ( 0.110 -1.024 2.875) 3.055 4.290 ( -6.020 -3.156 -3.037) 7.445 4.290 ( -6.020 -3.156 3.037) 7.445 4.823 ( 5.412 1.442 -0.638) 5.637 4.823 ( 5.412 1.442 0.638) 5.637 4.979 ( -4.533 -0.288 -2.104) 5.006 4.979 ( -4.533 -0.288 2.104) 5.006 5.774 ( 7.777 4.274 -2.380) 9.187 5.774 ( 7.777 4.274 2.380) 9.187 5.895 ( -3.174 1.926 -1.013) 3.849 5.895 ( -3.174 1.926 1.013) 3.849 6.102 ( 7.857 7.923 -3.878) 11.813 6.102 ( 7.857 7.923 3.878) 11.813 6.356 ( -7.129 13.486 -7.545) 17.018 6.356 ( -7.129 13.486 7.545) 17.018 6.988 ( 4.988 -4.513 -6.633) 9.447 6.988 ( 4.988 -4.513 6.633) 9.447 7.092 ( -5.001 -4.547 -6.889) 9.651 7.092 ( -5.001 -4.547 6.889) 9.651 7.480 ( 4.770 -1.647 -1.459) 5.253 7.480 ( 4.770 -1.647 1.459) 5.253 7.656 ( -3.728 -7.551 -1.684) 8.588 7.656 ( -3.728 -7.551 1.684) 8.588======================= Grid point 357 (109/112) =======================q-point: ( 0.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.551 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 -0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 -0.000 -0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 -0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 -0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 -0.000 0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 -0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 -0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000======================= Grid point 361 (110/112) =======================q-point: ( 0.14 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.507 ( -4.043 0.000 -0.000) 4.043 2.507 ( -4.043 0.000 0.000) 4.043 2.688 ( -4.845 0.000 0.000) 4.845 2.688 ( -4.845 0.000 0.000) 4.845 3.092 ( 1.409 0.000 0.000) 1.409 3.092 ( 1.409 0.000 0.000) 1.409 3.220 ( 3.804 -0.000 -0.000) 3.804 3.220 ( 3.804 0.000 0.000) 3.804 3.305 ( -6.493 0.000 0.000) 6.493 3.305 ( -6.493 0.000 0.000) 6.493 3.773 ( -6.219 0.000 0.000) 6.219 3.773 ( -6.219 0.000 0.000) 6.219 4.329 ( 11.494 -0.000 -0.000) 11.494 4.329 ( 11.494 0.000 -0.000) 11.494 4.375 ( -8.364 -0.000 0.000) 8.364 4.375 ( -8.364 0.000 0.000) 8.364 4.761 ( -8.178 0.000 -0.000) 8.178 4.761 ( -8.178 0.000 0.000) 8.178 5.119 ( -0.346 0.000 0.000) 0.346 5.119 ( -0.346 0.000 0.000) 0.346 5.570 ( 3.634 -0.000 -0.000) 3.634 5.570 ( 3.634 -0.000 0.000) 3.634 5.595 ( 10.842 0.000 -0.000) 10.842 5.595 ( 10.842 0.000 0.000) 10.842 6.037 ( 0.871 0.000 0.000) 0.871 6.037 ( 0.871 0.000 0.000) 0.871 6.572 ( 2.481 0.000 0.000) 2.481 6.572 ( 2.481 0.000 0.000) 2.481 6.908 ( -0.654 0.000 0.000) 0.654 6.908 ( -0.654 0.000 0.000) 0.654 7.220 ( -2.971 0.000 0.000) 2.971 7.220 ( -2.971 0.000 0.000) 2.971 7.262 ( 2.548 -0.000 0.000) 2.548 7.262 ( 2.548 0.000 0.000) 2.548 7.703 ( -1.802 0.000 0.000) 1.802 7.703 ( -1.802 0.000 0.000) 1.802======================= Grid point 365 (111/112) =======================q-point: ( 0.29 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.410 ( -4.837 0.000 -0.000) 4.837 2.410 ( -4.837 0.000 0.000) 4.837 2.547 ( -8.427 0.000 0.000) 8.427 2.547 ( -8.427 0.000 0.000) 8.427 3.108 ( 0.296 0.000 0.000) 0.296 3.108 ( 0.296 0.000 0.000) 0.296 3.184 ( -4.470 -0.000 0.000) 4.470 3.184 ( -4.470 0.000 0.000) 4.470 3.342 ( 7.699 0.000 -0.000) 7.699 3.342 ( 7.699 0.000 0.000) 7.699 3.678 ( -3.621 0.000 0.000) 3.621 3.678 ( -3.621 0.000 0.000) 3.621 4.209 ( -6.737 0.000 -0.000) 6.737 4.209 ( -6.737 0.000 0.000) 6.737 4.428 ( -6.022 0.000 0.000) 6.022 4.428 ( -6.022 0.000 0.000) 6.022 4.679 ( 4.937 0.000 -0.000) 4.937 4.679 ( 4.937 0.000 0.000) 4.937 5.078 ( -3.636 0.000 0.000) 3.636 5.078 ( -3.636 0.000 0.000) 3.636 5.669 ( 5.805 -0.000 -0.000) 5.805 5.669 ( 5.805 -0.000 0.000) 5.805 5.842 ( 10.917 0.000 0.000) 10.917 5.842 ( 10.917 0.000 0.000) 10.917 6.063 ( 2.934 0.000 0.000) 2.934 6.063 ( 2.934 0.000 0.000) 2.934 6.597 ( -1.327 0.000 0.000) 1.327 6.597 ( -1.327 0.000 0.000) 1.327 6.898 ( 0.308 0.000 0.000) 0.308 6.898 ( 0.308 0.000 0.000) 0.308 7.137 ( -5.061 0.000 0.000) 5.061 7.137 ( -5.061 0.000 0.000) 5.061 7.343 ( 5.356 0.000 0.000) 5.356 7.343 ( 5.356 0.000 0.000) 5.356 7.653 ( -3.143 0.000 0.000) 3.143 7.653 ( -3.143 0.000 0.000) 3.143======================= Grid point 369 (112/112) =======================q-point: ( 0.43 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.346 ( -0.792 0.000 -0.000) 0.792 2.346 ( -0.792 0.000 0.000) 0.792 2.394 ( -5.566 0.000 0.000) 5.566 2.394 ( -5.566 0.000 0.000) 5.566 3.112 ( 0.266 0.000 0.000) 0.266 3.112 ( 0.266 0.000 0.000) 0.266 3.127 ( -1.500 -0.000 0.000) 1.500 3.127 ( -1.500 -0.000 0.000) 1.500 3.498 ( 6.969 -0.000 -0.000) 6.969 3.498 ( 6.969 -0.000 0.000) 6.969 3.607 ( -3.964 0.000 0.000) 3.964 3.607 ( -3.964 0.000 0.000) 3.964 4.142 ( 0.774 0.000 -0.000) 0.774 4.142 ( 0.774 0.000 0.000) 0.774 4.244 ( -8.667 0.000 0.000) 8.667 4.244 ( -8.667 0.000 0.000) 8.667 4.835 ( 8.031 0.000 -0.000) 8.031 4.835 ( 8.031 0.000 0.000) 8.031 4.979 ( -6.087 0.000 0.000) 6.087 4.979 ( -6.087 0.000 0.000) 6.087 5.794 ( 6.248 0.000 -0.000) 6.248 5.794 ( 6.248 0.000 0.000) 6.248 5.900 ( -3.382 0.000 0.000) 3.382 5.900 ( -3.382 0.000 0.000) 3.382 6.249 ( 13.045 -0.000 0.000) 13.045 6.249 ( 13.045 0.000 0.000) 13.045 6.487 ( -9.389 0.000 -0.000) 9.389 6.487 ( -9.389 0.000 0.000) 9.389 6.939 ( 3.589 0.000 -0.000) 3.589 6.939 ( 3.589 0.000 0.000) 3.589 7.030 ( -5.148 -0.000 0.000) 5.148 7.030 ( -5.148 0.000 0.000) 5.148 7.463 ( 6.082 0.000 0.000) 6.082 7.463 ( 6.082 0.000 0.000) 6.082 7.574 ( -4.723 -0.000 0.000) 4.723 7.574 ( -4.723 0.000 0.000) 4.723=================== 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 3/18144 10.0 639.293 360.306 400.102 0.000 0.000 -0.000 3/18144 20.0 77.279 60.251 63.905 0.000 0.000 -0.000 3/18144 30.0 25.780 22.099 23.053 0.000 0.000 -0.000 3/18144 40.0 13.727 12.283 12.618 0.000 0.000 -0.000 3/18144 50.0 9.081 8.355 8.478 0.000 0.000 -0.000 3/18144 60.0 6.769 6.361 6.395 0.000 0.000 -0.000 3/18144 70.0 5.419 5.182 5.174 0.000 0.000 -0.000 3/18144 80.0 4.542 4.406 4.377 0.000 0.000 -0.000 3/18144 90.0 3.926 3.853 3.815 0.000 0.000 -0.000 3/18144 100.0 3.468 3.438 3.395 0.000 0.000 -0.000 3/18144 110.0 3.112 3.111 3.066 0.000 0.000 -0.000 3/18144 120.0 2.827 2.846 2.801 0.000 0.000 -0.000 3/18144 130.0 2.593 2.626 2.582 0.000 0.000 -0.000 3/18144 140.0 2.396 2.439 2.396 0.000 0.000 -0.000 3/18144 150.0 2.229 2.278 2.236 0.000 0.000 -0.000 3/18144 160.0 2.084 2.138 2.098 0.000 0.000 -0.000 3/18144 170.0 1.958 2.014 1.976 0.000 0.000 -0.000 3/18144 180.0 1.846 1.905 1.867 0.000 0.000 -0.000 3/18144 190.0 1.747 1.806 1.771 0.000 0.000 -0.000 3/18144 200.0 1.658 1.718 1.684 0.000 0.000 -0.000 3/18144 210.0 1.578 1.638 1.605 0.000 0.000 -0.000 3/18144 220.0 1.505 1.565 1.533 0.000 0.000 -0.000 3/18144 230.0 1.439 1.498 1.468 0.000 0.000 -0.000 3/18144 240.0 1.378 1.437 1.407 0.000 0.000 -0.000 3/18144 250.0 1.323 1.381 1.352 0.000 0.000 -0.000 3/18144 260.0 1.271 1.328 1.301 0.000 0.000 -0.000 3/18144 270.0 1.224 1.280 1.253 0.000 0.000 -0.000 3/18144 280.0 1.180 1.235 1.209 0.000 0.000 -0.000 3/18144 290.0 1.139 1.193 1.168 0.000 0.000 -0.000 3/18144 300.0 1.101 1.154 1.130 0.000 0.000 -0.000 3/18144 310.0 1.065 1.117 1.094 0.000 0.000 -0.000 3/18144 320.0 1.032 1.083 1.060 0.000 0.000 -0.000 3/18144 330.0 1.001 1.051 1.028 0.000 0.000 -0.000 3/18144 340.0 0.971 1.020 0.998 0.000 0.000 -0.000 3/18144 350.0 0.943 0.991 0.970 0.000 0.000 -0.000 3/18144 360.0 0.917 0.964 0.944 0.000 0.000 -0.000 3/18144 370.0 0.892 0.938 0.918 0.000 0.000 -0.000 3/18144 380.0 0.869 0.914 0.894 0.000 0.000 -0.000 3/18144 390.0 0.846 0.891 0.872 0.000 0.000 -0.000 3/18144 400.0 0.825 0.869 0.850 0.000 0.000 -0.000 3/18144 410.0 0.805 0.848 0.830 0.000 0.000 -0.000 3/18144 420.0 0.786 0.828 0.810 0.000 0.000 -0.000 3/18144 430.0 0.768 0.809 0.791 0.000 0.000 -0.000 3/18144 440.0 0.750 0.790 0.773 0.000 0.000 -0.000 3/18144 450.0 0.734 0.773 0.756 0.000 0.000 -0.000 3/18144 460.0 0.718 0.756 0.740 0.000 0.000 -0.000 3/18144 470.0 0.702 0.740 0.724 0.000 0.000 -0.000 3/18144 480.0 0.688 0.725 0.709 0.000 0.000 -0.000 3/18144 490.0 0.674 0.710 0.695 0.000 0.000 -0.000 3/18144 500.0 0.660 0.696 0.681 0.000 0.000 -0.000 3/18144 510.0 0.647 0.683 0.668 0.000 0.000 -0.000 3/18144 520.0 0.635 0.670 0.655 0.000 0.000 -0.000 3/18144 530.0 0.623 0.657 0.643 0.000 0.000 -0.000 3/18144 540.0 0.611 0.645 0.631 0.000 0.000 -0.000 3/18144 550.0 0.600 0.633 0.620 0.000 0.000 -0.000 3/18144 560.0 0.589 0.622 0.609 0.000 0.000 -0.000 3/18144 570.0 0.579 0.611 0.598 0.000 0.000 -0.000 3/18144 580.0 0.569 0.601 0.588 0.000 0.000 -0.000 3/18144 590.0 0.559 0.591 0.578 0.000 0.000 -0.000 3/18144 600.0 0.550 0.581 0.568 0.000 0.000 -0.000 3/18144 610.0 0.541 0.571 0.559 0.000 0.000 -0.000 3/18144 620.0 0.532 0.562 0.550 0.000 0.000 -0.000 3/18144 630.0 0.524 0.553 0.541 0.000 0.000 -0.000 3/18144 640.0 0.516 0.545 0.533 0.000 0.000 -0.000 3/18144 650.0 0.508 0.536 0.525 0.000 0.000 -0.000 3/18144 660.0 0.500 0.528 0.517 0.000 0.000 -0.000 3/18144 670.0 0.493 0.520 0.509 0.000 0.000 -0.000 3/18144 680.0 0.485 0.513 0.502 0.000 0.000 -0.000 3/18144 690.0 0.478 0.505 0.494 0.000 0.000 -0.000 3/18144 700.0 0.472 0.498 0.487 0.000 0.000 -0.000 3/18144 710.0 0.465 0.491 0.481 0.000 0.000 -0.000 3/18144 720.0 0.458 0.484 0.474 0.000 0.000 -0.000 3/18144 730.0 0.452 0.478 0.467 0.000 0.000 -0.000 3/18144 740.0 0.446 0.471 0.461 0.000 0.000 -0.000 3/18144 750.0 0.440 0.465 0.455 0.000 0.000 -0.000 3/18144 760.0 0.434 0.459 0.449 0.000 0.000 -0.000 3/18144 770.0 0.429 0.453 0.443 0.000 0.000 -0.000 3/18144 780.0 0.423 0.447 0.438 0.000 0.000 -0.000 3/18144 790.0 0.418 0.442 0.432 0.000 0.000 -0.000 3/18144 800.0 0.413 0.436 0.427 0.000 0.000 -0.000 3/18144 810.0 0.407 0.431 0.421 0.000 0.000 -0.000 3/18144 820.0 0.403 0.425 0.416 0.000 0.000 -0.000 3/18144 830.0 0.398 0.420 0.411 0.000 0.000 -0.000 3/18144 840.0 0.393 0.415 0.406 0.000 0.000 -0.000 3/18144 850.0 0.388 0.410 0.402 0.000 0.000 -0.000 3/18144 860.0 0.384 0.406 0.397 0.000 0.000 -0.000 3/18144 870.0 0.379 0.401 0.392 0.000 0.000 -0.000 3/18144 880.0 0.375 0.397 0.388 0.000 0.000 -0.000 3/18144 890.0 0.371 0.392 0.384 0.000 0.000 -0.000 3/18144 900.0 0.367 0.388 0.379 0.000 0.000 -0.000 3/18144 910.0 0.363 0.384 0.375 0.000 0.000 -0.000 3/18144 920.0 0.359 0.379 0.371 0.000 0.000 -0.000 3/18144 930.0 0.355 0.375 0.367 0.000 0.000 -0.000 3/18144 940.0 0.351 0.371 0.363 0.000 0.000 -0.000 3/18144 950.0 0.347 0.367 0.359 0.000 0.000 -0.000 3/18144 960.0 0.344 0.364 0.356 0.000 0.000 -0.000 3/18144 970.0 0.340 0.360 0.352 0.000 0.000 -0.000 3/18144 980.0 0.337 0.356 0.348 0.000 0.000 -0.000 3/18144 990.0 0.333 0.353 0.345 0.000 0.000 -0.000 3/18144 1000.0 0.330 0.349 0.342 0.000 0.000 -0.000 3/18144Thermal conductivity related properties were written into "kappa-m7126.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 13:13:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|