# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/93b731e8-2cf2-4183-b4ae-21e14edc12df/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 MgH2 / Pbcn (60) / materials id 23711](https://mdr.nims.go.jp/datasets/0f504eff-51be-43e6-a04f-d6b885ad8ce9) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 05:32:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbcn (60)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 4.472304240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.384203890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.887895610000000Atomic positions (fractional): *1 H 0.23009095502212 0.39451228888419 0.42129350299649 1.008 2 H 0.73009095502212 0.10548771111581 0.57870649700351 1.008 3 H 0.26990904497788 0.10548771111581 0.92129350299649 1.008 4 H 0.76990904497788 0.39451228888419 0.07870649700351 1.008 5 H 0.23009095502212 0.60548771111581 0.92129350299649 1.008 6 H 0.73009095502212 0.89451228888419 0.07870649700351 1.008 7 H 0.26990904497788 0.89451228888419 0.42129350299649 1.008 8 H 0.76990904497788 0.60548771111581 0.57870649700351 1.008 *9 Mg 0.00000000000000 0.32979738168311 0.75000000000000 24.305 10 Mg 0.50000000000000 0.17020261831689 0.25000000000000 24.305 11 Mg 0.00000000000000 0.67020261831689 0.25000000000000 24.305 12 Mg 0.50000000000000 0.82979738168311 0.75000000000000 24.305-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.472304240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.384203890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.887895610000000Atomic positions (fractional): *1 H 0.23009095502212 0.39451228888419 0.42129350299649 1.008 > 1 2 H 0.73009095502212 0.10548771111581 0.57870649700351 1.008 > 2 3 H 0.26990904497788 0.10548771111581 0.92129350299649 1.008 > 3 4 H 0.76990904497788 0.39451228888419 0.07870649700351 1.008 > 4 5 H 0.23009095502212 0.60548771111581 0.92129350299649 1.008 > 5 6 H 0.73009095502212 0.89451228888419 0.07870649700351 1.008 > 6 7 H 0.26990904497788 0.89451228888419 0.42129350299649 1.008 > 7 8 H 0.76990904497788 0.60548771111581 0.57870649700351 1.008 > 8 *9 Mg 0.00000000000000 0.32979738168311 0.75000000000000 24.305 > 9 10 Mg 0.50000000000000 0.17020261831689 0.25000000000000 24.305 > 10 11 Mg 0.00000000000000 0.67020261831689 0.25000000000000 24.305 > 11 12 Mg 0.50000000000000 0.82979738168311 0.75000000000000 24.305 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 13.416912719999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.768407780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775791220000000Atomic positions (fractional): *1 H 0.07669698500737 0.19725614444210 0.21064675149825 1.008 > 1 2 H 0.41003031834071 0.19725614444210 0.21064675149825 1.008 > 1 3 H 0.74336365167404 0.19725614444210 0.21064675149825 1.008 > 1 4 H 0.07669698500737 0.69725614444210 0.21064675149825 1.008 > 1 5 H 0.41003031834071 0.69725614444210 0.21064675149825 1.008 > 1 6 H 0.74336365167404 0.69725614444210 0.21064675149825 1.008 > 1 7 H 0.07669698500737 0.19725614444210 0.71064675149825 1.008 > 1 8 H 0.41003031834071 0.19725614444210 0.71064675149825 1.008 > 1 9 H 0.74336365167404 0.19725614444210 0.71064675149825 1.008 > 1 10 H 0.07669698500737 0.69725614444210 0.71064675149825 1.008 > 1 11 H 0.41003031834071 0.69725614444210 0.71064675149825 1.008 > 1 12 H 0.74336365167404 0.69725614444210 0.71064675149825 1.008 > 1 13 H 0.24336365167404 0.05274385555790 0.28935324850175 1.008 > 2 14 H 0.57669698500737 0.05274385555790 0.28935324850175 1.008 > 2 15 H 0.91003031834071 0.05274385555790 0.28935324850175 1.008 > 2 16 H 0.24336365167404 0.55274385555790 0.28935324850175 1.008 > 2 17 H 0.57669698500737 0.55274385555790 0.28935324850175 1.008 > 2 18 H 0.91003031834071 0.55274385555790 0.28935324850175 1.008 > 2 19 H 0.24336365167404 0.05274385555790 0.78935324850175 1.008 > 2 20 H 0.57669698500737 0.05274385555790 0.78935324850175 1.008 > 2 21 H 0.91003031834071 0.05274385555790 0.78935324850175 1.008 > 2 22 H 0.24336365167404 0.55274385555790 0.78935324850175 1.008 > 2 23 H 0.57669698500737 0.55274385555790 0.78935324850175 1.008 > 2 24 H 0.91003031834071 0.55274385555790 0.78935324850175 1.008 > 2 25 H 0.08996968165929 0.05274385555790 0.46064675149825 1.008 > 3 26 H 0.42330301499263 0.05274385555790 0.46064675149825 1.008 > 3 27 H 0.75663634832596 0.05274385555790 0.46064675149825 1.008 > 3 28 H 0.08996968165929 0.55274385555790 0.46064675149825 1.008 > 3 29 H 0.42330301499263 0.55274385555790 0.46064675149825 1.008 > 3 30 H 0.75663634832596 0.55274385555790 0.46064675149825 1.008 > 3 31 H 0.08996968165929 0.05274385555790 0.96064675149825 1.008 > 3 32 H 0.42330301499263 0.05274385555790 0.96064675149825 1.008 > 3 33 H 0.75663634832596 0.05274385555790 0.96064675149825 1.008 > 3 34 H 0.08996968165929 0.55274385555790 0.96064675149825 1.008 > 3 35 H 0.42330301499263 0.55274385555790 0.96064675149825 1.008 > 3 36 H 0.75663634832596 0.55274385555790 0.96064675149825 1.008 > 3 37 H 0.25663634832596 0.19725614444210 0.03935324850175 1.008 > 4 38 H 0.58996968165929 0.19725614444210 0.03935324850175 1.008 > 4 39 H 0.92330301499263 0.19725614444210 0.03935324850175 1.008 > 4 40 H 0.25663634832596 0.69725614444210 0.03935324850175 1.008 > 4 41 H 0.58996968165929 0.69725614444210 0.03935324850175 1.008 > 4 42 H 0.92330301499263 0.69725614444210 0.03935324850175 1.008 > 4 43 H 0.25663634832596 0.19725614444210 0.53935324850175 1.008 > 4 44 H 0.58996968165929 0.19725614444210 0.53935324850175 1.008 > 4 45 H 0.92330301499263 0.19725614444210 0.53935324850175 1.008 > 4 46 H 0.25663634832596 0.69725614444210 0.53935324850175 1.008 > 4 47 H 0.58996968165929 0.69725614444210 0.53935324850175 1.008 > 4 48 H 0.92330301499263 0.69725614444210 0.53935324850175 1.008 > 4 49 H 0.07669698500737 0.30274385555790 0.46064675149825 1.008 > 5 50 H 0.41003031834071 0.30274385555790 0.46064675149825 1.008 > 5 51 H 0.74336365167404 0.30274385555790 0.46064675149825 1.008 > 5 52 H 0.07669698500737 0.80274385555790 0.46064675149825 1.008 > 5 53 H 0.41003031834071 0.80274385555790 0.46064675149825 1.008 > 5 54 H 0.74336365167404 0.80274385555790 0.46064675149825 1.008 > 5 55 H 0.07669698500737 0.30274385555790 0.96064675149825 1.008 > 5 56 H 0.41003031834071 0.30274385555790 0.96064675149825 1.008 > 5 57 H 0.74336365167404 0.30274385555790 0.96064675149825 1.008 > 5 58 H 0.07669698500737 0.80274385555790 0.96064675149825 1.008 > 5 59 H 0.41003031834071 0.80274385555790 0.96064675149825 1.008 > 5 60 H 0.74336365167404 0.80274385555790 0.96064675149825 1.008 > 5 61 H 0.24336365167404 0.44725614444210 0.03935324850175 1.008 > 6 62 H 0.57669698500737 0.44725614444210 0.03935324850175 1.008 > 6 63 H 0.91003031834071 0.44725614444210 0.03935324850175 1.008 > 6 64 H 0.24336365167404 0.94725614444210 0.03935324850175 1.008 > 6 65 H 0.57669698500737 0.94725614444210 0.03935324850175 1.008 > 6 66 H 0.91003031834071 0.94725614444210 0.03935324850175 1.008 > 6 67 H 0.24336365167404 0.44725614444210 0.53935324850175 1.008 > 6 68 H 0.57669698500737 0.44725614444210 0.53935324850175 1.008 > 6 69 H 0.91003031834071 0.44725614444210 0.53935324850175 1.008 > 6 70 H 0.24336365167404 0.94725614444210 0.53935324850175 1.008 > 6 71 H 0.57669698500737 0.94725614444210 0.53935324850175 1.008 > 6 72 H 0.91003031834071 0.94725614444210 0.53935324850175 1.008 > 6 73 H 0.08996968165929 0.44725614444210 0.21064675149825 1.008 > 7 74 H 0.42330301499263 0.44725614444210 0.21064675149825 1.008 > 7 75 H 0.75663634832596 0.44725614444210 0.21064675149825 1.008 > 7 76 H 0.08996968165929 0.94725614444210 0.21064675149825 1.008 > 7 77 H 0.42330301499263 0.94725614444210 0.21064675149825 1.008 > 7 78 H 0.75663634832596 0.94725614444210 0.21064675149825 1.008 > 7 79 H 0.08996968165929 0.44725614444210 0.71064675149825 1.008 > 7 80 H 0.42330301499263 0.44725614444210 0.71064675149825 1.008 > 7 81 H 0.75663634832596 0.44725614444210 0.71064675149825 1.008 > 7 82 H 0.08996968165929 0.94725614444210 0.71064675149825 1.008 > 7 83 H 0.42330301499263 0.94725614444210 0.71064675149825 1.008 > 7 84 H 0.75663634832596 0.94725614444210 0.71064675149825 1.008 > 7 85 H 0.25663634832596 0.30274385555790 0.28935324850175 1.008 > 8 86 H 0.58996968165929 0.30274385555790 0.28935324850175 1.008 > 8 87 H 0.92330301499263 0.30274385555790 0.28935324850175 1.008 > 8 88 H 0.25663634832596 0.80274385555790 0.28935324850175 1.008 > 8 89 H 0.58996968165929 0.80274385555790 0.28935324850175 1.008 > 8 90 H 0.92330301499263 0.80274385555790 0.28935324850175 1.008 > 8 91 H 0.25663634832596 0.30274385555790 0.78935324850175 1.008 > 8 92 H 0.58996968165929 0.30274385555790 0.78935324850175 1.008 > 8 93 H 0.92330301499263 0.30274385555790 0.78935324850175 1.008 > 8 94 H 0.25663634832596 0.80274385555790 0.78935324850175 1.008 > 8 95 H 0.58996968165929 0.80274385555790 0.78935324850175 1.008 > 8 96 H 0.92330301499263 0.80274385555790 0.78935324850175 1.008 > 8 *97 Mg 0.00000000000000 0.16489869084156 0.37500000000000 24.305 > 9 98 Mg 0.33333333333333 0.16489869084156 0.37500000000000 24.305 > 9 99 Mg 0.66666666666667 0.16489869084156 0.37500000000000 24.305 > 9 100 Mg 0.00000000000000 0.66489869084156 0.37500000000000 24.305 > 9 101 Mg 0.33333333333333 0.66489869084156 0.37500000000000 24.305 > 9 102 Mg 0.66666666666667 0.66489869084156 0.37500000000000 24.305 > 9 103 Mg 0.00000000000000 0.16489869084156 0.87500000000000 24.305 > 9 104 Mg 0.33333333333333 0.16489869084156 0.87500000000000 24.305 > 9 105 Mg 0.66666666666667 0.16489869084156 0.87500000000000 24.305 > 9 106 Mg 0.00000000000000 0.66489869084156 0.87500000000000 24.305 > 9 107 Mg 0.33333333333333 0.66489869084156 0.87500000000000 24.305 > 9 108 Mg 0.66666666666667 0.66489869084156 0.87500000000000 24.305 > 9 109 Mg 0.16666666666667 0.08510130915844 0.12500000000000 24.305 > 10 110 Mg 0.50000000000000 0.08510130915844 0.12500000000000 24.305 > 10 111 Mg 0.83333333333333 0.08510130915844 0.12500000000000 24.305 > 10 112 Mg 0.16666666666667 0.58510130915844 0.12500000000000 24.305 > 10 113 Mg 0.50000000000000 0.58510130915844 0.12500000000000 24.305 > 10 114 Mg 0.83333333333333 0.58510130915844 0.12500000000000 24.305 > 10 115 Mg 0.16666666666667 0.08510130915844 0.62500000000000 24.305 > 10 116 Mg 0.50000000000000 0.08510130915844 0.62500000000000 24.305 > 10 117 Mg 0.83333333333333 0.08510130915844 0.62500000000000 24.305 > 10 118 Mg 0.16666666666667 0.58510130915844 0.62500000000000 24.305 > 10 119 Mg 0.50000000000000 0.58510130915844 0.62500000000000 24.305 > 10 120 Mg 0.83333333333333 0.58510130915844 0.62500000000000 24.305 > 10 121 Mg 0.00000000000000 0.33510130915844 0.12500000000000 24.305 > 11 122 Mg 0.33333333333333 0.33510130915844 0.12500000000000 24.305 > 11 123 Mg 0.66666666666667 0.33510130915844 0.12500000000000 24.305 > 11 124 Mg 0.00000000000000 0.83510130915844 0.12500000000000 24.305 > 11 125 Mg 0.33333333333333 0.83510130915844 0.12500000000000 24.305 > 11 126 Mg 0.66666666666667 0.83510130915844 0.12500000000000 24.305 > 11 127 Mg 0.00000000000000 0.33510130915844 0.62500000000000 24.305 > 11 128 Mg 0.33333333333333 0.33510130915844 0.62500000000000 24.305 > 11 129 Mg 0.66666666666667 0.33510130915844 0.62500000000000 24.305 > 11 130 Mg 0.00000000000000 0.83510130915844 0.62500000000000 24.305 > 11 131 Mg 0.33333333333333 0.83510130915844 0.62500000000000 24.305 > 11 132 Mg 0.66666666666667 0.83510130915844 0.62500000000000 24.305 > 11 133 Mg 0.16666666666667 0.41489869084156 0.37500000000000 24.305 > 12 134 Mg 0.50000000000000 0.41489869084156 0.37500000000000 24.305 > 12 135 Mg 0.83333333333333 0.41489869084156 0.37500000000000 24.305 > 12 136 Mg 0.16666666666667 0.91489869084156 0.37500000000000 24.305 > 12 137 Mg 0.50000000000000 0.91489869084156 0.37500000000000 24.305 > 12 138 Mg 0.83333333333333 0.91489869084156 0.37500000000000 24.305 > 12 139 Mg 0.16666666666667 0.41489869084156 0.87500000000000 24.305 > 12 140 Mg 0.50000000000000 0.41489869084156 0.87500000000000 24.305 > 12 141 Mg 0.83333333333333 0.41489869084156 0.87500000000000 24.305 > 12 142 Mg 0.16666666666667 0.91489869084156 0.87500000000000 24.305 > 12 143 Mg 0.50000000000000 0.91489869084156 0.87500000000000 24.305 > 12 144 Mg 0.83333333333333 0.91489869084156 0.87500000000000 24.305 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.3292510 0.0000000 0.0000000 0.0000000 4.3402727 0.0000000 0.0000000 0.0000000 4.3062958-------------------------- Born effective charges -------------------------- 1 H -0.9199720 0.1622135 0.1147151 0.1752402 -0.9611921 0.0210875 0.1060315 0.0166303 -0.9617687 2 H -0.9199720 -0.1622135 -0.1147151 -0.1752402 -0.9611921 0.0210875 -0.1060315 0.0166303 -0.9617687 3 H -0.9199720 0.1622135 -0.1147151 0.1752402 -0.9611921 -0.0210875 -0.1060315 -0.0166303 -0.9617687 4 H -0.9199720 -0.1622135 0.1147151 -0.1752402 -0.9611921 -0.0210875 0.1060315 -0.0166303 -0.9617687 5 H -0.9199720 -0.1622135 0.1147151 -0.1752402 -0.9611921 -0.0210875 0.1060315 -0.0166303 -0.9617687 6 H -0.9199720 0.1622135 -0.1147151 0.1752402 -0.9611921 -0.0210875 -0.1060315 -0.0166303 -0.9617687 7 H -0.9199720 -0.1622135 -0.1147151 -0.1752402 -0.9611921 0.0210875 -0.1060315 0.0166303 -0.9617687 8 H -0.9199720 0.1622135 0.1147151 0.1752402 -0.9611921 0.0210875 0.1060315 0.0166303 -0.9617687 9 Mg 1.8399440 0.0000000 0.0599265 0.0000000 1.9223843 0.0000000 0.0253278 0.0000000 1.9235375 10 Mg 1.8399440 0.0000000 -0.0599265 0.0000000 1.9223843 0.0000000 -0.0253278 0.0000000 1.9235375 11 Mg 1.8399440 0.0000000 0.0599265 0.0000000 1.9223843 0.0000000 0.0253278 0.0000000 1.9235375 12 Mg 1.8399440 0.0000000 -0.0599265 0.0000000 1.9223843 0.0000000 -0.0253278 0.0000000 1.9235375----------------------------------------------------------------------------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: 1046Number of blocks in projector: 1046Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 220Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 212Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 212Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 134Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 134Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 134Use standard eigh solver.Tree of FC basis block matrices:- (1046, 1032), data: False|-- (134, 132), data: True|-- (134, 132), data: True|-- (134, 132), data: True|-- (212, 210), data: True|-- (212, 210), data: True|-- (220, 216), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.018Solver_block: 100 / 240 - Time: 1.575Solver_block: 200 / 240 - Time: 1.638Solver_block: 240 / 240 - Time: 0.752Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.142--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432Permutation basis: 8352/8352Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1046Number of blocks in projector: 1046Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 220Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 212Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 212Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 134Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 134Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 134Use standard eigh solver.Tree of FC basis block matrices:- (1046, 1032), data: False|-- (134, 132), data: True|-- (134, 132), data: True|-- (134, 132), data: True|-- (212, 210), data: True|-- (212, 210), data: True|-- (220, 216), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 05:33:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:33:12]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbcn (60)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.472304240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.384203890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.887895610000000Atomic positions (fractional): 1 H 0.23009095502212 0.39451228888419 0.42129350299649 1.008 2 H 0.73009095502212 0.10548771111581 0.57870649700351 1.008 3 H 0.26990904497788 0.10548771111581 0.92129350299649 1.008 4 H 0.76990904497788 0.39451228888419 0.07870649700351 1.008 5 H 0.23009095502212 0.60548771111581 0.92129350299649 1.008 6 H 0.73009095502212 0.89451228888419 0.07870649700351 1.008 7 H 0.26990904497788 0.89451228888419 0.42129350299649 1.008 8 H 0.76990904497788 0.60548771111581 0.57870649700351 1.008 9 Mg 0.00000000000000 0.32979738168311 0.75000000000000 24.305 10 Mg 0.50000000000000 0.17020261831689 0.25000000000000 24.305 11 Mg 0.00000000000000 0.67020261831689 0.25000000000000 24.305 12 Mg 0.50000000000000 0.82979738168311 0.75000000000000 24.305-------------------------------- supercell ---------------------------------Lattice vectors: a 13.416912719999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.768407780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775791220000000Atomic positions (fractional): 1 H 0.07669698500737 0.19725614444210 0.21064675149825 1.008 > 1 2 H 0.41003031834071 0.19725614444210 0.21064675149825 1.008 > 1 3 H 0.74336365167404 0.19725614444210 0.21064675149825 1.008 > 1 4 H 0.07669698500737 0.69725614444210 0.21064675149825 1.008 > 1 5 H 0.41003031834071 0.69725614444210 0.21064675149825 1.008 > 1 6 H 0.74336365167404 0.69725614444210 0.21064675149825 1.008 > 1 7 H 0.07669698500737 0.19725614444210 0.71064675149825 1.008 > 1 8 H 0.41003031834071 0.19725614444210 0.71064675149825 1.008 > 1 9 H 0.74336365167404 0.19725614444210 0.71064675149825 1.008 > 1 10 H 0.07669698500737 0.69725614444210 0.71064675149825 1.008 > 1 11 H 0.41003031834071 0.69725614444210 0.71064675149825 1.008 > 1 12 H 0.74336365167404 0.69725614444210 0.71064675149825 1.008 > 1 13 H 0.24336365167404 0.05274385555790 0.28935324850175 1.008 > 13 14 H 0.57669698500737 0.05274385555790 0.28935324850175 1.008 > 13 15 H 0.91003031834071 0.05274385555790 0.28935324850175 1.008 > 13 16 H 0.24336365167404 0.55274385555790 0.28935324850175 1.008 > 13 17 H 0.57669698500737 0.55274385555790 0.28935324850175 1.008 > 13 18 H 0.91003031834071 0.55274385555790 0.28935324850175 1.008 > 13 19 H 0.24336365167404 0.05274385555790 0.78935324850175 1.008 > 13 20 H 0.57669698500737 0.05274385555790 0.78935324850175 1.008 > 13 21 H 0.91003031834071 0.05274385555790 0.78935324850175 1.008 > 13 22 H 0.24336365167404 0.55274385555790 0.78935324850175 1.008 > 13 23 H 0.57669698500737 0.55274385555790 0.78935324850175 1.008 > 13 24 H 0.91003031834071 0.55274385555790 0.78935324850175 1.008 > 13 25 H 0.08996968165929 0.05274385555790 0.46064675149825 1.008 > 25 26 H 0.42330301499263 0.05274385555790 0.46064675149825 1.008 > 25 27 H 0.75663634832596 0.05274385555790 0.46064675149825 1.008 > 25 28 H 0.08996968165929 0.55274385555790 0.46064675149825 1.008 > 25 29 H 0.42330301499263 0.55274385555790 0.46064675149825 1.008 > 25 30 H 0.75663634832596 0.55274385555790 0.46064675149825 1.008 > 25 31 H 0.08996968165929 0.05274385555790 0.96064675149825 1.008 > 25 32 H 0.42330301499263 0.05274385555790 0.96064675149825 1.008 > 25 33 H 0.75663634832596 0.05274385555790 0.96064675149825 1.008 > 25 34 H 0.08996968165929 0.55274385555790 0.96064675149825 1.008 > 25 35 H 0.42330301499263 0.55274385555790 0.96064675149825 1.008 > 25 36 H 0.75663634832596 0.55274385555790 0.96064675149825 1.008 > 25 37 H 0.25663634832596 0.19725614444210 0.03935324850175 1.008 > 37 38 H 0.58996968165929 0.19725614444210 0.03935324850175 1.008 > 37 39 H 0.92330301499263 0.19725614444210 0.03935324850175 1.008 > 37 40 H 0.25663634832596 0.69725614444210 0.03935324850175 1.008 > 37 41 H 0.58996968165929 0.69725614444210 0.03935324850175 1.008 > 37 42 H 0.92330301499263 0.69725614444210 0.03935324850175 1.008 > 37 43 H 0.25663634832596 0.19725614444210 0.53935324850175 1.008 > 37 44 H 0.58996968165929 0.19725614444210 0.53935324850175 1.008 > 37 45 H 0.92330301499263 0.19725614444210 0.53935324850175 1.008 > 37 46 H 0.25663634832596 0.69725614444210 0.53935324850175 1.008 > 37 47 H 0.58996968165929 0.69725614444210 0.53935324850175 1.008 > 37 48 H 0.92330301499263 0.69725614444210 0.53935324850175 1.008 > 37 49 H 0.07669698500737 0.30274385555790 0.46064675149825 1.008 > 49 50 H 0.41003031834071 0.30274385555790 0.46064675149825 1.008 > 49 51 H 0.74336365167404 0.30274385555790 0.46064675149825 1.008 > 49 52 H 0.07669698500737 0.80274385555790 0.46064675149825 1.008 > 49 53 H 0.41003031834071 0.80274385555790 0.46064675149825 1.008 > 49 54 H 0.74336365167404 0.80274385555790 0.46064675149825 1.008 > 49 55 H 0.07669698500737 0.30274385555790 0.96064675149825 1.008 > 49 56 H 0.41003031834071 0.30274385555790 0.96064675149825 1.008 > 49 57 H 0.74336365167404 0.30274385555790 0.96064675149825 1.008 > 49 58 H 0.07669698500737 0.80274385555790 0.96064675149825 1.008 > 49 59 H 0.41003031834071 0.80274385555790 0.96064675149825 1.008 > 49 60 H 0.74336365167404 0.80274385555790 0.96064675149825 1.008 > 49 61 H 0.24336365167404 0.44725614444210 0.03935324850175 1.008 > 61 62 H 0.57669698500737 0.44725614444210 0.03935324850175 1.008 > 61 63 H 0.91003031834071 0.44725614444210 0.03935324850175 1.008 > 61 64 H 0.24336365167404 0.94725614444210 0.03935324850175 1.008 > 61 65 H 0.57669698500737 0.94725614444210 0.03935324850175 1.008 > 61 66 H 0.91003031834071 0.94725614444210 0.03935324850175 1.008 > 61 67 H 0.24336365167404 0.44725614444210 0.53935324850175 1.008 > 61 68 H 0.57669698500737 0.44725614444210 0.53935324850175 1.008 > 61 69 H 0.91003031834071 0.44725614444210 0.53935324850175 1.008 > 61 70 H 0.24336365167404 0.94725614444210 0.53935324850175 1.008 > 61 71 H 0.57669698500737 0.94725614444210 0.53935324850175 1.008 > 61 72 H 0.91003031834071 0.94725614444210 0.53935324850175 1.008 > 61 73 H 0.08996968165929 0.44725614444210 0.21064675149825 1.008 > 73 74 H 0.42330301499263 0.44725614444210 0.21064675149825 1.008 > 73 75 H 0.75663634832596 0.44725614444210 0.21064675149825 1.008 > 73 76 H 0.08996968165929 0.94725614444210 0.21064675149825 1.008 > 73 77 H 0.42330301499263 0.94725614444210 0.21064675149825 1.008 > 73 78 H 0.75663634832596 0.94725614444210 0.21064675149825 1.008 > 73 79 H 0.08996968165929 0.44725614444210 0.71064675149825 1.008 > 73 80 H 0.42330301499263 0.44725614444210 0.71064675149825 1.008 > 73 81 H 0.75663634832596 0.44725614444210 0.71064675149825 1.008 > 73 82 H 0.08996968165929 0.94725614444210 0.71064675149825 1.008 > 73 83 H 0.42330301499263 0.94725614444210 0.71064675149825 1.008 > 73 84 H 0.75663634832596 0.94725614444210 0.71064675149825 1.008 > 73 85 H 0.25663634832596 0.30274385555790 0.28935324850175 1.008 > 85 86 H 0.58996968165929 0.30274385555790 0.28935324850175 1.008 > 85 87 H 0.92330301499263 0.30274385555790 0.28935324850175 1.008 > 85 88 H 0.25663634832596 0.80274385555790 0.28935324850175 1.008 > 85 89 H 0.58996968165929 0.80274385555790 0.28935324850175 1.008 > 85 90 H 0.92330301499263 0.80274385555790 0.28935324850175 1.008 > 85 91 H 0.25663634832596 0.30274385555790 0.78935324850175 1.008 > 85 92 H 0.58996968165929 0.30274385555790 0.78935324850175 1.008 > 85 93 H 0.92330301499263 0.30274385555790 0.78935324850175 1.008 > 85 94 H 0.25663634832596 0.80274385555790 0.78935324850175 1.008 > 85 95 H 0.58996968165929 0.80274385555790 0.78935324850175 1.008 > 85 96 H 0.92330301499263 0.80274385555790 0.78935324850175 1.008 > 85 97 Mg 0.00000000000000 0.16489869084156 0.37500000000000 24.305 > 97 98 Mg 0.33333333333333 0.16489869084156 0.37500000000000 24.305 > 97 99 Mg 0.66666666666667 0.16489869084156 0.37500000000000 24.305 > 97 100 Mg 0.00000000000000 0.66489869084156 0.37500000000000 24.305 > 97 101 Mg 0.33333333333333 0.66489869084156 0.37500000000000 24.305 > 97 102 Mg 0.66666666666667 0.66489869084156 0.37500000000000 24.305 > 97 103 Mg 0.00000000000000 0.16489869084156 0.87500000000000 24.305 > 97 104 Mg 0.33333333333333 0.16489869084156 0.87500000000000 24.305 > 97 105 Mg 0.66666666666667 0.16489869084156 0.87500000000000 24.305 > 97 106 Mg 0.00000000000000 0.66489869084156 0.87500000000000 24.305 > 97 107 Mg 0.33333333333333 0.66489869084156 0.87500000000000 24.305 > 97 108 Mg 0.66666666666667 0.66489869084156 0.87500000000000 24.305 > 97 109 Mg 0.16666666666667 0.08510130915844 0.12500000000000 24.305 > 109 110 Mg 0.50000000000000 0.08510130915844 0.12500000000000 24.305 > 109 111 Mg 0.83333333333333 0.08510130915844 0.12500000000000 24.305 > 109 112 Mg 0.16666666666667 0.58510130915844 0.12500000000000 24.305 > 109 113 Mg 0.50000000000000 0.58510130915844 0.12500000000000 24.305 > 109 114 Mg 0.83333333333333 0.58510130915844 0.12500000000000 24.305 > 109 115 Mg 0.16666666666667 0.08510130915844 0.62500000000000 24.305 > 109 116 Mg 0.50000000000000 0.08510130915844 0.62500000000000 24.305 > 109 117 Mg 0.83333333333333 0.08510130915844 0.62500000000000 24.305 > 109 118 Mg 0.16666666666667 0.58510130915844 0.62500000000000 24.305 > 109 119 Mg 0.50000000000000 0.58510130915844 0.62500000000000 24.305 > 109 120 Mg 0.83333333333333 0.58510130915844 0.62500000000000 24.305 > 109 121 Mg 0.00000000000000 0.33510130915844 0.12500000000000 24.305 > 121 122 Mg 0.33333333333333 0.33510130915844 0.12500000000000 24.305 > 121 123 Mg 0.66666666666667 0.33510130915844 0.12500000000000 24.305 > 121 124 Mg 0.00000000000000 0.83510130915844 0.12500000000000 24.305 > 121 125 Mg 0.33333333333333 0.83510130915844 0.12500000000000 24.305 > 121 126 Mg 0.66666666666667 0.83510130915844 0.12500000000000 24.305 > 121 127 Mg 0.00000000000000 0.33510130915844 0.62500000000000 24.305 > 121 128 Mg 0.33333333333333 0.33510130915844 0.62500000000000 24.305 > 121 129 Mg 0.66666666666667 0.33510130915844 0.62500000000000 24.305 > 121 130 Mg 0.00000000000000 0.83510130915844 0.62500000000000 24.305 > 121 131 Mg 0.33333333333333 0.83510130915844 0.62500000000000 24.305 > 121 132 Mg 0.66666666666667 0.83510130915844 0.62500000000000 24.305 > 121 133 Mg 0.16666666666667 0.41489869084156 0.37500000000000 24.305 > 133 134 Mg 0.50000000000000 0.41489869084156 0.37500000000000 24.305 > 133 135 Mg 0.83333333333333 0.41489869084156 0.37500000000000 24.305 > 133 136 Mg 0.16666666666667 0.91489869084156 0.37500000000000 24.305 > 133 137 Mg 0.50000000000000 0.91489869084156 0.37500000000000 24.305 > 133 138 Mg 0.83333333333333 0.91489869084156 0.37500000000000 24.305 > 133 139 Mg 0.16666666666667 0.41489869084156 0.87500000000000 24.305 > 133 140 Mg 0.50000000000000 0.41489869084156 0.87500000000000 24.305 > 133 141 Mg 0.83333333333333 0.41489869084156 0.87500000000000 24.305 > 133 142 Mg 0.16666666666667 0.91489869084156 0.87500000000000 24.305 > 133 143 Mg 0.50000000000000 0.91489869084156 0.87500000000000 24.305 > 133 144 Mg 0.83333333333333 0.91489869084156 0.87500000000000 24.305 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.3292510 0.0000000 0.0000000 0.0000000 4.3402727 0.0000000 0.0000000 0.0000000 4.3062958-------------------------- Born effective charges -------------------------- 1 H -0.9199720 0.1622135 0.1147151 0.1752402 -0.9611921 0.0210875 0.1060315 0.0166303 -0.9617687 2 H -0.9199720 -0.1622135 -0.1147151 -0.1752402 -0.9611921 0.0210875 -0.1060315 0.0166303 -0.9617687 3 H -0.9199720 0.1622135 -0.1147151 0.1752402 -0.9611921 -0.0210875 -0.1060315 -0.0166303 -0.9617687 4 H -0.9199720 -0.1622135 0.1147151 -0.1752402 -0.9611921 -0.0210875 0.1060315 -0.0166303 -0.9617687 5 H -0.9199720 -0.1622135 0.1147151 -0.1752402 -0.9611921 -0.0210875 0.1060315 -0.0166303 -0.9617687 6 H -0.9199720 0.1622135 -0.1147151 0.1752402 -0.9611921 -0.0210875 -0.1060315 -0.0166303 -0.9617687 7 H -0.9199720 -0.1622135 -0.1147151 -0.1752402 -0.9611921 0.0210875 -0.1060315 0.0166303 -0.9617687 8 H -0.9199720 0.1622135 0.1147151 0.1752402 -0.9611921 0.0210875 0.1060315 0.0166303 -0.9617687 9 Mg 1.8399440 0.0000000 0.0599265 0.0000000 1.9223843 0.0000000 0.0253278 0.0000000 1.9235375 10 Mg 1.8399440 0.0000000 -0.0599265 0.0000000 1.9223843 0.0000000 -0.0253278 0.0000000 1.9235375 11 Mg 1.8399440 0.0000000 0.0599265 0.0000000 1.9223843 0.0000000 0.0253278 0.0000000 1.9235375 12 Mg 1.8399440 0.0000000 -0.0599265 0.0000000 1.9223843 0.0000000 -0.0253278 0.0000000 1.9235375----------------------------------------------------------------------------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[ 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: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy)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 05:33:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:33:27]-------------------------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: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbcn (60)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.472304240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.384203890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.887895610000000Atomic positions (fractional): 1 H 0.23009095502212 0.39451228888419 0.42129350299649 1.008 2 H 0.73009095502212 0.10548771111581 0.57870649700351 1.008 3 H 0.26990904497788 0.10548771111581 0.92129350299649 1.008 4 H 0.76990904497788 0.39451228888419 0.07870649700351 1.008 5 H 0.23009095502212 0.60548771111581 0.92129350299649 1.008 6 H 0.73009095502212 0.89451228888419 0.07870649700351 1.008 7 H 0.26990904497788 0.89451228888419 0.42129350299649 1.008 8 H 0.76990904497788 0.60548771111581 0.57870649700351 1.008 9 Mg 0.00000000000000 0.32979738168311 0.75000000000000 24.305 10 Mg 0.50000000000000 0.17020261831689 0.25000000000000 24.305 11 Mg 0.00000000000000 0.67020261831689 0.25000000000000 24.305 12 Mg 0.50000000000000 0.82979738168311 0.75000000000000 24.305-------------------------------- supercell ---------------------------------Lattice vectors: a 13.416912719999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.768407780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.775791220000000Atomic positions (fractional): 1 H 0.07669698500737 0.19725614444210 0.21064675149825 1.008 > 1 2 H 0.41003031834071 0.19725614444210 0.21064675149825 1.008 > 1 3 H 0.74336365167404 0.19725614444210 0.21064675149825 1.008 > 1 4 H 0.07669698500737 0.69725614444210 0.21064675149825 1.008 > 1 5 H 0.41003031834071 0.69725614444210 0.21064675149825 1.008 > 1 6 H 0.74336365167404 0.69725614444210 0.21064675149825 1.008 > 1 7 H 0.07669698500737 0.19725614444210 0.71064675149825 1.008 > 1 8 H 0.41003031834071 0.19725614444210 0.71064675149825 1.008 > 1 9 H 0.74336365167404 0.19725614444210 0.71064675149825 1.008 > 1 10 H 0.07669698500737 0.69725614444210 0.71064675149825 1.008 > 1 11 H 0.41003031834071 0.69725614444210 0.71064675149825 1.008 > 1 12 H 0.74336365167404 0.69725614444210 0.71064675149825 1.008 > 1 13 H 0.24336365167404 0.05274385555790 0.28935324850175 1.008 > 13 14 H 0.57669698500737 0.05274385555790 0.28935324850175 1.008 > 13 15 H 0.91003031834071 0.05274385555790 0.28935324850175 1.008 > 13 16 H 0.24336365167404 0.55274385555790 0.28935324850175 1.008 > 13 17 H 0.57669698500737 0.55274385555790 0.28935324850175 1.008 > 13 18 H 0.91003031834071 0.55274385555790 0.28935324850175 1.008 > 13 19 H 0.24336365167404 0.05274385555790 0.78935324850175 1.008 > 13 20 H 0.57669698500737 0.05274385555790 0.78935324850175 1.008 > 13 21 H 0.91003031834071 0.05274385555790 0.78935324850175 1.008 > 13 22 H 0.24336365167404 0.55274385555790 0.78935324850175 1.008 > 13 23 H 0.57669698500737 0.55274385555790 0.78935324850175 1.008 > 13 24 H 0.91003031834071 0.55274385555790 0.78935324850175 1.008 > 13 25 H 0.08996968165929 0.05274385555790 0.46064675149825 1.008 > 25 26 H 0.42330301499263 0.05274385555790 0.46064675149825 1.008 > 25 27 H 0.75663634832596 0.05274385555790 0.46064675149825 1.008 > 25 28 H 0.08996968165929 0.55274385555790 0.46064675149825 1.008 > 25 29 H 0.42330301499263 0.55274385555790 0.46064675149825 1.008 > 25 30 H 0.75663634832596 0.55274385555790 0.46064675149825 1.008 > 25 31 H 0.08996968165929 0.05274385555790 0.96064675149825 1.008 > 25 32 H 0.42330301499263 0.05274385555790 0.96064675149825 1.008 > 25 33 H 0.75663634832596 0.05274385555790 0.96064675149825 1.008 > 25 34 H 0.08996968165929 0.55274385555790 0.96064675149825 1.008 > 25 35 H 0.42330301499263 0.55274385555790 0.96064675149825 1.008 > 25 36 H 0.75663634832596 0.55274385555790 0.96064675149825 1.008 > 25 37 H 0.25663634832596 0.19725614444210 0.03935324850175 1.008 > 37 38 H 0.58996968165929 0.19725614444210 0.03935324850175 1.008 > 37 39 H 0.92330301499263 0.19725614444210 0.03935324850175 1.008 > 37 40 H 0.25663634832596 0.69725614444210 0.03935324850175 1.008 > 37 41 H 0.58996968165929 0.69725614444210 0.03935324850175 1.008 > 37 42 H 0.92330301499263 0.69725614444210 0.03935324850175 1.008 > 37 43 H 0.25663634832596 0.19725614444210 0.53935324850175 1.008 > 37 44 H 0.58996968165929 0.19725614444210 0.53935324850175 1.008 > 37 45 H 0.92330301499263 0.19725614444210 0.53935324850175 1.008 > 37 46 H 0.25663634832596 0.69725614444210 0.53935324850175 1.008 > 37 47 H 0.58996968165929 0.69725614444210 0.53935324850175 1.008 > 37 48 H 0.92330301499263 0.69725614444210 0.53935324850175 1.008 > 37 49 H 0.07669698500737 0.30274385555790 0.46064675149825 1.008 > 49 50 H 0.41003031834071 0.30274385555790 0.46064675149825 1.008 > 49 51 H 0.74336365167404 0.30274385555790 0.46064675149825 1.008 > 49 52 H 0.07669698500737 0.80274385555790 0.46064675149825 1.008 > 49 53 H 0.41003031834071 0.80274385555790 0.46064675149825 1.008 > 49 54 H 0.74336365167404 0.80274385555790 0.46064675149825 1.008 > 49 55 H 0.07669698500737 0.30274385555790 0.96064675149825 1.008 > 49 56 H 0.41003031834071 0.30274385555790 0.96064675149825 1.008 > 49 57 H 0.74336365167404 0.30274385555790 0.96064675149825 1.008 > 49 58 H 0.07669698500737 0.80274385555790 0.96064675149825 1.008 > 49 59 H 0.41003031834071 0.80274385555790 0.96064675149825 1.008 > 49 60 H 0.74336365167404 0.80274385555790 0.96064675149825 1.008 > 49 61 H 0.24336365167404 0.44725614444210 0.03935324850175 1.008 > 61 62 H 0.57669698500737 0.44725614444210 0.03935324850175 1.008 > 61 63 H 0.91003031834071 0.44725614444210 0.03935324850175 1.008 > 61 64 H 0.24336365167404 0.94725614444210 0.03935324850175 1.008 > 61 65 H 0.57669698500737 0.94725614444210 0.03935324850175 1.008 > 61 66 H 0.91003031834071 0.94725614444210 0.03935324850175 1.008 > 61 67 H 0.24336365167404 0.44725614444210 0.53935324850175 1.008 > 61 68 H 0.57669698500737 0.44725614444210 0.53935324850175 1.008 > 61 69 H 0.91003031834071 0.44725614444210 0.53935324850175 1.008 > 61 70 H 0.24336365167404 0.94725614444210 0.53935324850175 1.008 > 61 71 H 0.57669698500737 0.94725614444210 0.53935324850175 1.008 > 61 72 H 0.91003031834071 0.94725614444210 0.53935324850175 1.008 > 61 73 H 0.08996968165929 0.44725614444210 0.21064675149825 1.008 > 73 74 H 0.42330301499263 0.44725614444210 0.21064675149825 1.008 > 73 75 H 0.75663634832596 0.44725614444210 0.21064675149825 1.008 > 73 76 H 0.08996968165929 0.94725614444210 0.21064675149825 1.008 > 73 77 H 0.42330301499263 0.94725614444210 0.21064675149825 1.008 > 73 78 H 0.75663634832596 0.94725614444210 0.21064675149825 1.008 > 73 79 H 0.08996968165929 0.44725614444210 0.71064675149825 1.008 > 73 80 H 0.42330301499263 0.44725614444210 0.71064675149825 1.008 > 73 81 H 0.75663634832596 0.44725614444210 0.71064675149825 1.008 > 73 82 H 0.08996968165929 0.94725614444210 0.71064675149825 1.008 > 73 83 H 0.42330301499263 0.94725614444210 0.71064675149825 1.008 > 73 84 H 0.75663634832596 0.94725614444210 0.71064675149825 1.008 > 73 85 H 0.25663634832596 0.30274385555790 0.28935324850175 1.008 > 85 86 H 0.58996968165929 0.30274385555790 0.28935324850175 1.008 > 85 87 H 0.92330301499263 0.30274385555790 0.28935324850175 1.008 > 85 88 H 0.25663634832596 0.80274385555790 0.28935324850175 1.008 > 85 89 H 0.58996968165929 0.80274385555790 0.28935324850175 1.008 > 85 90 H 0.92330301499263 0.80274385555790 0.28935324850175 1.008 > 85 91 H 0.25663634832596 0.30274385555790 0.78935324850175 1.008 > 85 92 H 0.58996968165929 0.30274385555790 0.78935324850175 1.008 > 85 93 H 0.92330301499263 0.30274385555790 0.78935324850175 1.008 > 85 94 H 0.25663634832596 0.80274385555790 0.78935324850175 1.008 > 85 95 H 0.58996968165929 0.80274385555790 0.78935324850175 1.008 > 85 96 H 0.92330301499263 0.80274385555790 0.78935324850175 1.008 > 85 97 Mg 0.00000000000000 0.16489869084156 0.37500000000000 24.305 > 97 98 Mg 0.33333333333333 0.16489869084156 0.37500000000000 24.305 > 97 99 Mg 0.66666666666667 0.16489869084156 0.37500000000000 24.305 > 97 100 Mg 0.00000000000000 0.66489869084156 0.37500000000000 24.305 > 97 101 Mg 0.33333333333333 0.66489869084156 0.37500000000000 24.305 > 97 102 Mg 0.66666666666667 0.66489869084156 0.37500000000000 24.305 > 97 103 Mg 0.00000000000000 0.16489869084156 0.87500000000000 24.305 > 97 104 Mg 0.33333333333333 0.16489869084156 0.87500000000000 24.305 > 97 105 Mg 0.66666666666667 0.16489869084156 0.87500000000000 24.305 > 97 106 Mg 0.00000000000000 0.66489869084156 0.87500000000000 24.305 > 97 107 Mg 0.33333333333333 0.66489869084156 0.87500000000000 24.305 > 97 108 Mg 0.66666666666667 0.66489869084156 0.87500000000000 24.305 > 97 109 Mg 0.16666666666667 0.08510130915844 0.12500000000000 24.305 > 109 110 Mg 0.50000000000000 0.08510130915844 0.12500000000000 24.305 > 109 111 Mg 0.83333333333333 0.08510130915844 0.12500000000000 24.305 > 109 112 Mg 0.16666666666667 0.58510130915844 0.12500000000000 24.305 > 109 113 Mg 0.50000000000000 0.58510130915844 0.12500000000000 24.305 > 109 114 Mg 0.83333333333333 0.58510130915844 0.12500000000000 24.305 > 109 115 Mg 0.16666666666667 0.08510130915844 0.62500000000000 24.305 > 109 116 Mg 0.50000000000000 0.08510130915844 0.62500000000000 24.305 > 109 117 Mg 0.83333333333333 0.08510130915844 0.62500000000000 24.305 > 109 118 Mg 0.16666666666667 0.58510130915844 0.62500000000000 24.305 > 109 119 Mg 0.50000000000000 0.58510130915844 0.62500000000000 24.305 > 109 120 Mg 0.83333333333333 0.58510130915844 0.62500000000000 24.305 > 109 121 Mg 0.00000000000000 0.33510130915844 0.12500000000000 24.305 > 121 122 Mg 0.33333333333333 0.33510130915844 0.12500000000000 24.305 > 121 123 Mg 0.66666666666667 0.33510130915844 0.12500000000000 24.305 > 121 124 Mg 0.00000000000000 0.83510130915844 0.12500000000000 24.305 > 121 125 Mg 0.33333333333333 0.83510130915844 0.12500000000000 24.305 > 121 126 Mg 0.66666666666667 0.83510130915844 0.12500000000000 24.305 > 121 127 Mg 0.00000000000000 0.33510130915844 0.62500000000000 24.305 > 121 128 Mg 0.33333333333333 0.33510130915844 0.62500000000000 24.305 > 121 129 Mg 0.66666666666667 0.33510130915844 0.62500000000000 24.305 > 121 130 Mg 0.00000000000000 0.83510130915844 0.62500000000000 24.305 > 121 131 Mg 0.33333333333333 0.83510130915844 0.62500000000000 24.305 > 121 132 Mg 0.66666666666667 0.83510130915844 0.62500000000000 24.305 > 121 133 Mg 0.16666666666667 0.41489869084156 0.37500000000000 24.305 > 133 134 Mg 0.50000000000000 0.41489869084156 0.37500000000000 24.305 > 133 135 Mg 0.83333333333333 0.41489869084156 0.37500000000000 24.305 > 133 136 Mg 0.16666666666667 0.91489869084156 0.37500000000000 24.305 > 133 137 Mg 0.50000000000000 0.91489869084156 0.37500000000000 24.305 > 133 138 Mg 0.83333333333333 0.91489869084156 0.37500000000000 24.305 > 133 139 Mg 0.16666666666667 0.41489869084156 0.87500000000000 24.305 > 133 140 Mg 0.50000000000000 0.41489869084156 0.87500000000000 24.305 > 133 141 Mg 0.83333333333333 0.41489869084156 0.87500000000000 24.305 > 133 142 Mg 0.16666666666667 0.91489869084156 0.87500000000000 24.305 > 133 143 Mg 0.50000000000000 0.91489869084156 0.87500000000000 24.305 > 133 144 Mg 0.83333333333333 0.91489869084156 0.87500000000000 24.305 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.3292510 0.0000000 0.0000000 0.0000000 4.3402727 0.0000000 0.0000000 0.0000000 4.3062958-------------------------- Born effective charges -------------------------- 1 H -0.9199720 0.1622135 0.1147151 0.1752402 -0.9611921 0.0210875 0.1060315 0.0166303 -0.9617687 2 H -0.9199720 -0.1622135 -0.1147151 -0.1752402 -0.9611921 0.0210875 -0.1060315 0.0166303 -0.9617687 3 H -0.9199720 0.1622135 -0.1147151 0.1752402 -0.9611921 -0.0210875 -0.1060315 -0.0166303 -0.9617687 4 H -0.9199720 -0.1622135 0.1147151 -0.1752402 -0.9611921 -0.0210875 0.1060315 -0.0166303 -0.9617687 5 H -0.9199720 -0.1622135 0.1147151 -0.1752402 -0.9611921 -0.0210875 0.1060315 -0.0166303 -0.9617687 6 H -0.9199720 0.1622135 -0.1147151 0.1752402 -0.9611921 -0.0210875 -0.1060315 -0.0166303 -0.9617687 7 H -0.9199720 -0.1622135 -0.1147151 -0.1752402 -0.9611921 0.0210875 -0.1060315 0.0166303 -0.9617687 8 H -0.9199720 0.1622135 0.1147151 0.1752402 -0.9611921 0.0210875 0.1060315 0.0166303 -0.9617687 9 Mg 1.8399440 0.0000000 0.0599265 0.0000000 1.9223843 0.0000000 0.0253278 0.0000000 1.9235375 10 Mg 1.8399440 0.0000000 -0.0599265 0.0000000 1.9223843 0.0000000 -0.0253278 0.0000000 1.9235375 11 Mg 1.8399440 0.0000000 0.0599265 0.0000000 1.9223843 0.0000000 0.0253278 0.0000000 1.9235375 12 Mg 1.8399440 0.0000000 -0.0599265 0.0000000 1.9223843 0.0000000 -0.0253278 0.0000000 1.9235375----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 11 9 10 ]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: 0.85, Number of G-points: 295, Lambda: 0.18Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/180) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 180Calculating 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 5.337 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.966 ( 0.000 0.000 0.000) 0.000 9.295 ( 0.000 0.000 0.000) 0.000 9.897 ( 0.000 0.000 0.000) 0.000 13.407 ( 0.000 0.000 0.000) 0.000 13.681 ( 0.000 0.000 0.000) 0.000 14.480 ( 0.000 0.000 0.000) 0.000 16.051 ( 0.000 0.000 0.000) 0.000 18.069 ( 0.000 0.000 0.000) 0.000 18.527 ( 0.000 0.000 0.000) 0.000 19.268 ( 0.000 0.000 0.000) 0.000 22.808 ( 0.000 0.000 0.000) 0.000 26.186 ( 0.000 0.000 0.000) 0.000 28.832 ( 0.000 0.000 0.000) 0.000 30.644 ( 0.000 0.000 0.000) 0.000 31.005 ( 0.000 0.000 0.000) 0.000 31.571 ( 0.000 0.000 0.000) 0.000 31.630 ( 0.000 0.000 0.000) 0.000 31.737 ( 0.000 0.000 0.000) 0.000 33.981 ( 0.000 0.000 0.000) 0.000 34.228 ( 0.000 0.000 0.000) 0.000 36.144 ( 0.000 0.000 0.000) 0.000 38.468 ( 0.000 0.000 0.000) 0.000 39.376 ( 0.000 0.000 0.000) 0.000 40.558 ( 0.000 0.000 0.000) 0.000 40.671 ( 0.000 0.000 0.000) 0.000 41.856 ( 0.000 0.000 0.000) 0.000 43.842 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/180) =======================q-point: ( 0.09 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.007 ( 48.844 0.000 0.000) 48.844 1.031 ( 50.172 0.000 0.000) 50.172 1.470 ( 71.246 0.000 0.000) 71.246 5.356 ( 1.754 0.000 0.000) 1.754 5.513 ( 3.344 0.000 0.000) 3.344 6.083 ( 3.040 0.000 0.000) 3.040 6.718 ( -1.572 0.000 0.000) 1.572 7.243 ( -6.013 0.000 0.000) 6.013 7.295 ( 5.439 0.000 0.000) 5.439 7.995 ( 2.373 0.000 0.000) 2.373 9.214 ( -7.860 0.000 0.000) 7.860 9.886 ( -1.211 0.000 0.000) 1.211 13.529 ( 11.923 0.000 0.000) 11.923 14.397 ( -7.497 0.000 0.000) 7.497 15.963 ( -8.580 0.000 0.000) 8.580 17.982 ( -8.325 0.000 0.000) 8.325 18.697 ( 15.805 0.000 0.000) 15.805 19.323 ( 5.423 0.000 0.000) 5.423 19.365 ( 10.665 0.000 0.000) 10.665 22.749 ( -5.746 0.000 0.000) 5.746 26.245 ( 5.727 0.000 0.000) 5.727 28.776 ( -5.440 0.000 0.000) 5.440 30.691 ( 4.410 0.000 0.000) 4.410 31.401 ( -14.420 0.000 0.000) 14.420 31.688 ( -3.320 0.000 0.000) 3.320 31.693 ( 6.227 0.000 0.000) 6.227 31.727 ( -0.973 0.000 0.000) 0.973 34.189 ( -3.719 0.000 0.000) 3.719 34.292 ( 28.271 0.000 0.000) 28.271 38.173 ( -25.285 0.000 0.000) 25.285 39.144 ( -21.321 0.000 0.000) 21.321 40.451 ( -18.443 0.000 0.000) 18.443 40.832 ( 23.352 0.000 0.000) 23.352 41.869 ( 16.236 0.000 0.000) 16.236 41.993 ( 11.983 0.000 0.000) 11.983 43.816 ( -2.460 0.000 0.000) 2.460======================= Grid point 2 (3/180) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 45.916 0.000 0.000) 45.916 2.029 ( 47.765 0.000 0.000) 47.765 2.875 ( 66.461 0.000 0.000) 66.461 5.400 ( 2.265 0.000 0.000) 2.265 5.586 ( 2.933 0.000 0.000) 2.933 6.160 ( 4.072 0.000 0.000) 4.072 6.695 ( 0.125 0.000 0.000) 0.125 7.068 ( -11.019 0.000 0.000) 11.019 7.467 ( 11.654 0.000 0.000) 11.654 8.030 ( 0.100 0.000 0.000) 0.100 8.981 ( -14.794 0.000 0.000) 14.794 9.838 ( -3.921 0.000 0.000) 3.921 13.880 ( 22.162 0.000 0.000) 22.162 14.217 ( -9.016 0.000 0.000) 9.016 15.711 ( -15.874 0.000 0.000) 15.874 17.742 ( -15.117 0.000 0.000) 15.117 19.112 ( 23.346 0.000 0.000) 23.346 19.483 ( 10.044 0.000 0.000) 10.044 19.666 ( 18.439 0.000 0.000) 18.439 22.579 ( -10.889 0.000 0.000) 10.889 26.413 ( 10.603 0.000 0.000) 10.603 28.614 ( -10.355 0.000 0.000) 10.355 30.814 ( 7.463 0.000 0.000) 7.463 31.083 ( -15.139 0.000 0.000) 15.139 31.586 ( -6.729 0.000 0.000) 6.729 31.698 ( -1.866 0.000 0.000) 1.866 31.883 ( 12.500 0.000 0.000) 12.500 34.083 ( -6.537 0.000 0.000) 6.537 35.023 ( 41.501 0.000 0.000) 41.501 37.583 ( -30.375 0.000 0.000) 30.375 38.587 ( -31.728 0.000 0.000) 31.728 40.016 ( -23.216 0.000 0.000) 23.216 41.370 ( 27.432 0.000 0.000) 27.432 42.232 ( 18.216 0.000 0.000) 18.216 42.274 ( 14.240 0.000 0.000) 14.240 43.744 ( -4.564 0.000 0.000) 4.564======================= Grid point 3 (4/180) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.863 ( 41.503 0.000 0.000) 41.503 2.962 ( 43.805 0.000 0.000) 43.805 4.148 ( 57.802 0.000 0.000) 57.802 5.427 ( -0.287 0.000 0.000) 0.287 5.590 ( -2.991 0.000 0.000) 2.991 6.235 ( 3.159 0.000 0.000) 3.159 6.766 ( 7.664 0.000 0.000) 7.664 6.812 ( -13.516 0.000 0.000) 13.516 7.768 ( 17.825 0.000 0.000) 17.825 7.961 ( -7.774 0.000 0.000) 7.774 8.626 ( -19.732 0.000 0.000) 19.732 9.711 ( -8.932 0.000 0.000) 8.932 14.071 ( -4.542 0.000 0.000) 4.542 14.408 ( 29.133 0.000 0.000) 29.133 15.337 ( -20.329 0.000 0.000) 20.329 17.374 ( -20.919 0.000 0.000) 20.919 19.584 ( 21.799 0.000 0.000) 21.799 19.716 ( 12.331 0.000 0.000) 12.331 20.093 ( 23.066 0.000 0.000) 23.066 22.312 ( -15.199 0.000 0.000) 15.199 26.667 ( 14.163 0.000 0.000) 14.163 28.362 ( -14.255 0.000 0.000) 14.255 30.832 ( -8.922 0.000 0.000) 8.922 30.982 ( 8.715 0.000 0.000) 8.715 31.417 ( -9.796 0.000 0.000) 9.796 31.650 ( -2.913 0.000 0.000) 2.913 32.197 ( 18.089 0.000 0.000) 18.089 33.930 ( -8.560 0.000 0.000) 8.560 35.915 ( 45.167 0.000 0.000) 45.167 37.005 ( -25.279 0.000 0.000) 25.279 37.910 ( -33.810 0.000 0.000) 33.810 39.524 ( -25.234 0.000 0.000) 25.234 41.896 ( 23.631 0.000 0.000) 23.631 42.532 ( 10.609 0.000 0.000) 10.609 42.585 ( 16.240 0.000 0.000) 16.240 43.634 ( -6.169 0.000 0.000) 6.169======================= Grid point 4 (5/180) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.653 ( 36.040 0.000 0.000) 36.040 3.800 ( 38.381 0.000 0.000) 38.381 5.046 ( 15.516 0.000 0.000) 15.516 5.349 ( -8.543 0.000 0.000) 8.543 5.620 ( 21.062 0.000 0.000) 21.062 6.286 ( 1.937 0.000 0.000) 1.937 6.552 ( -11.092 0.000 0.000) 11.092 7.009 ( 15.683 0.000 0.000) 15.683 7.683 ( -20.150 0.000 0.000) 20.150 8.179 ( 22.071 0.000 0.000) 22.071 8.205 ( -21.017 0.000 0.000) 21.017 9.465 ( -15.311 0.000 0.000) 15.311 14.056 ( 3.298 0.000 0.000) 3.298 14.910 ( -20.973 0.000 0.000) 20.973 15.038 ( 32.247 0.000 0.000) 32.247 16.897 ( -25.893 0.000 0.000) 25.893 19.956 ( 14.121 0.000 0.000) 14.121 19.958 ( 10.829 0.000 0.000) 10.829 20.584 ( 24.749 0.000 0.000) 24.749 21.966 ( -18.800 0.000 0.000) 18.800 26.980 ( 16.425 0.000 0.000) 16.425 28.044 ( -16.779 0.000 0.000) 16.779 30.732 ( -0.800 0.000 0.000) 0.800 31.160 ( 8.626 0.000 0.000) 8.626 31.197 ( -11.469 0.000 0.000) 11.469 31.576 ( -4.416 0.000 0.000) 4.416 32.604 ( 21.481 0.000 0.000) 21.481 33.728 ( -11.681 0.000 0.000) 11.681 36.603 ( -13.224 0.000 0.000) 13.224 36.821 ( 43.243 0.000 0.000) 43.243 37.254 ( -29.695 0.000 0.000) 29.695 38.985 ( -28.034 0.000 0.000) 28.034 42.313 ( 17.160 0.000 0.000) 17.160 42.689 ( 4.588 0.000 0.000) 4.588 42.886 ( 13.405 0.000 0.000) 13.405 43.495 ( -7.458 0.000 0.000) 7.458======================= Grid point 5 (6/180) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.323 ( 29.711 0.000 0.000) 29.711 4.511 ( 31.220 0.000 0.000) 31.220 4.849 ( -21.352 0.000 0.000) 21.352 5.049 ( -21.075 0.000 0.000) 21.075 6.322 ( 1.980 0.000 0.000) 1.980 6.386 ( 40.944 0.000 0.000) 40.944 6.388 ( -5.117 0.000 0.000) 5.117 7.141 ( -32.565 0.000 0.000) 32.565 7.374 ( 19.572 0.000 0.000) 19.572 7.784 ( -20.462 0.000 0.000) 20.462 8.644 ( 23.146 0.000 0.000) 23.146 9.095 ( -20.692 0.000 0.000) 20.692 14.208 ( 11.498 0.000 0.000) 11.498 14.510 ( -17.808 0.000 0.000) 17.808 15.697 ( 32.132 0.000 0.000) 32.132 16.329 ( -29.776 0.000 0.000) 29.776 20.127 ( 5.074 0.000 0.000) 5.074 20.142 ( 4.026 0.000 0.000) 4.026 21.083 ( 24.053 0.000 0.000) 24.053 21.552 ( -21.832 0.000 0.000) 21.832 27.328 ( 17.634 0.000 0.000) 17.634 27.690 ( -17.835 0.000 0.000) 17.835 30.792 ( 6.282 0.000 0.000) 6.282 30.968 ( -10.526 0.000 0.000) 10.526 31.327 ( 7.701 0.000 0.000) 7.701 31.469 ( -6.187 0.000 0.000) 6.187 33.045 ( 21.207 0.000 0.000) 21.207 33.438 ( -16.993 0.000 0.000) 16.993 36.502 ( 3.685 0.000 0.000) 3.685 36.744 ( -19.462 0.000 0.000) 19.462 37.653 ( 38.249 0.000 0.000) 38.249 38.372 ( -32.571 0.000 0.000) 32.571 42.588 ( 9.824 0.000 0.000) 9.824 42.712 ( -2.419 0.000 0.000) 2.419 43.131 ( 10.808 0.000 0.000) 10.808 43.330 ( -8.862 0.000 0.000) 8.862======================= Grid point 11 (7/180) =======================q-point: ( 0.00 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.914 ( 0.000 43.687 0.000) 43.687 1.014 ( 0.000 48.024 0.000) 48.024 1.535 ( 0.000 73.125 0.000) 73.125 5.277 ( 0.000 -5.777 0.000) 5.777 5.595 ( 0.000 11.376 0.000) 11.376 6.029 ( 0.000 -5.574 0.000) 5.574 6.453 ( 0.000 -14.050 0.000) 14.050 7.237 ( 0.000 -6.688 0.000) 6.688 7.574 ( 0.000 23.046 0.000) 23.046 7.927 ( 0.000 -3.760 0.000) 3.760 9.186 ( 0.000 -10.447 0.000) 10.447 9.912 ( 0.000 0.671 0.000) 0.671 13.420 ( 0.000 1.822 0.000) 1.822 13.718 ( 0.000 3.347 0.000) 3.347 14.722 ( 0.000 22.619 0.000) 22.619 18.058 ( 0.000 -0.970 0.000) 0.970 18.501 ( 0.000 -2.549 0.000) 2.549 19.194 ( 0.000 -7.284 0.000) 7.284 20.929 ( 0.000 7.733 0.000) 7.733 22.758 ( 0.000 -4.795 0.000) 4.795 26.363 ( 0.000 16.755 0.000) 16.755 28.889 ( 0.000 5.515 0.000) 5.515 30.701 ( 0.000 -23.209 0.000) 23.209 31.432 ( 0.000 -12.791 0.000) 12.791 31.742 ( 0.000 0.814 0.000) 0.814 31.857 ( 0.000 15.690 0.000) 15.690 34.069 ( 0.000 8.172 0.000) 8.172 34.360 ( 0.000 12.106 0.000) 12.106 36.067 ( 0.000 -7.259 0.000) 7.259 36.524 ( 0.000 -3.712 0.000) 3.712 38.485 ( 0.000 1.711 0.000) 1.711 40.295 ( 0.000 -23.716 0.000) 23.716 40.577 ( 0.000 1.864 0.000) 1.864 41.426 ( 0.000 24.180 0.000) 24.180 41.800 ( 0.000 -5.357 0.000) 5.357 43.798 ( 0.000 -4.226 0.000) 4.226======================= Grid point 12 (8/180) =======================q-point: ( 0.09 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.057 ( 24.033 25.972 0.000) 35.385 1.351 ( 35.516 28.717 0.000) 45.673 2.305 ( 53.115 54.090 0.000) 75.808 5.295 ( 1.682 -5.827 0.000) 6.065 5.604 ( 0.601 8.756 0.000) 8.777 6.080 ( 4.333 -5.661 0.000) 7.129 6.478 ( 2.373 -10.007 0.000) 10.285 7.172 ( -6.221 -6.919 0.000) 9.305 7.613 ( 3.333 21.994 0.000) 22.245 7.959 ( 2.735 -3.407 0.000) 4.369 9.109 ( -7.481 -10.077 0.000) 12.550 9.897 ( -1.591 0.350 0.000) 1.629 13.553 ( 12.910 2.839 0.000) 13.219 14.627 ( -8.577 21.391 0.000) 23.047 14.734 ( 56.337 -44.473 0.000) 71.776 18.032 ( -1.906 -3.241 0.000) 3.760 18.670 ( 15.713 -2.502 0.000) 15.910 18.903 ( -21.442 -3.428 0.000) 21.714 20.681 ( -10.794 38.337 0.000) 39.828 22.702 ( -5.464 -4.534 0.000) 7.100 26.417 ( 5.239 16.287 0.000) 17.109 28.828 ( -5.719 5.293 0.000) 7.792 30.727 ( 2.682 -19.398 0.000) 19.583 31.278 ( -13.051 -11.216 0.000) 17.208 31.743 ( -0.324 1.381 0.000) 1.418 31.820 ( -3.969 18.656 0.000) 19.073 33.079 ( -85.323 81.404 0.000) 117.926 34.125 ( 0.125 -0.000 0.000) 0.125 34.546 ( 22.035 17.767 0.000) 28.306 38.187 ( -25.584 1.355 0.000) 25.620 38.601 ( 28.967 -43.054 0.000) 51.892 40.089 ( -10.990 -31.729 0.000) 33.579 40.848 ( 22.981 1.536 0.000) 23.033 41.278 ( 4.701 -3.282 0.000) 5.733 42.349 ( 25.490 5.930 0.000) 26.171 43.774 ( -2.271 -4.033 0.000) 4.628======================= Grid point 13 (9/180) =======================q-point: ( 0.18 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( 43.712 -5.924 0.000) 44.111 2.151 ( 40.888 16.345 0.000) 44.034 3.434 ( 56.129 40.124 0.000) 68.996 5.335 ( 1.765 -6.352 0.000) 6.592 5.601 ( -1.429 2.328 0.000) 2.731 6.182 ( 5.211 -4.688 0.000) 7.010 6.563 ( 6.382 -1.983 0.000) 6.683 6.991 ( -11.264 -7.391 0.000) 13.473 7.718 ( 7.532 19.073 0.000) 20.506 8.006 ( 0.908 -2.313 0.000) 2.485 8.891 ( -13.670 -8.619 0.000) 16.160 9.837 ( -4.649 -0.591 0.000) 4.686 13.928 ( 23.112 5.322 0.000) 23.717 14.423 ( -9.950 18.708 0.000) 21.189 15.365 ( 8.163 -23.131 0.000) 24.529 17.942 ( -10.258 9.571 0.000) 14.030 18.654 ( 2.118 -28.483 0.000) 28.562 19.076 ( 22.491 -3.258 0.000) 22.726 20.634 ( 4.307 41.328 0.000) 41.551 22.541 ( -10.153 -3.596 0.000) 10.771 26.571 ( 9.775 15.026 0.000) 17.926 28.665 ( -10.174 5.036 0.000) 11.352 30.808 ( 4.940 -14.337 0.000) 15.164 30.987 ( -14.019 -8.910 0.000) 16.611 31.692 ( -7.599 23.061 0.000) 24.281 31.725 ( -1.374 2.352 0.000) 2.724 32.282 ( -10.037 29.784 0.000) 31.430 34.048 ( -6.463 -2.076 0.000) 6.788 35.198 ( 39.022 15.405 0.000) 41.953 37.591 ( -30.610 0.783 0.000) 30.620 38.433 ( -27.620 -13.920 0.000) 30.929 39.875 ( -13.715 -16.833 0.000) 21.713 41.373 ( 26.530 0.295 0.000) 26.532 41.572 ( 20.161 -25.499 0.000) 32.506 42.733 ( 14.322 13.995 0.000) 20.024 43.708 ( -4.184 -3.461 0.000) 5.429======================= Grid point 14 (10/180) =======================q-point: ( 0.27 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.710 ( 43.222 -16.182 0.000) 46.152 2.964 ( 38.486 9.485 0.000) 39.638 4.535 ( 50.791 29.220 0.000) 58.596 5.344 ( -1.641 -8.126 0.000) 8.291 5.527 ( -5.698 -4.027 0.000) 6.978 6.279 ( 4.279 -0.840 0.000) 4.361 6.735 ( -13.311 -7.344 0.000) 15.202 6.747 ( 11.736 3.580 0.000) 12.270 7.933 ( 13.710 13.782 0.000) 19.440 7.961 ( -6.099 -0.109 0.000) 6.100 8.565 ( -18.133 -5.957 0.000) 19.086 9.696 ( -9.436 -1.607 0.000) 9.572 14.205 ( -4.377 12.501 0.000) 13.245 14.526 ( 28.784 11.298 0.000) 30.922 15.261 ( -14.223 -5.444 0.000) 15.230 17.600 ( -21.523 18.993 0.000) 28.705 18.934 ( 20.870 -43.078 0.000) 47.867 19.520 ( 19.721 -5.962 0.000) 20.602 20.798 ( 11.055 35.599 0.000) 37.276 22.298 ( -13.564 -1.442 0.000) 13.641 26.807 ( 13.202 13.314 0.000) 18.750 28.420 ( -13.743 5.583 0.000) 14.834 30.752 ( -8.520 -7.612 0.000) 11.426 30.903 ( 3.632 -13.866 0.000) 14.334 31.552 ( -5.867 19.726 0.000) 20.580 31.689 ( -2.142 3.548 0.000) 4.144 32.312 ( 9.644 8.782 0.000) 13.043 33.886 ( -9.306 -3.518 0.000) 9.949 36.049 ( 43.163 12.017 0.000) 44.804 37.012 ( -24.901 0.888 0.000) 24.917 37.792 ( -32.758 -10.657 0.000) 34.448 39.514 ( -21.045 -2.345 0.000) 21.175 41.875 ( 22.138 -2.029 0.000) 22.231 41.984 ( 18.900 -27.523 0.000) 33.388 42.972 ( 9.597 14.276 0.000) 17.202 43.608 ( -5.500 -2.446 0.000) 6.020======================= Grid point 15 (11/180) =======================q-point: ( 0.36 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.543 ( 38.208 -19.898 0.000) 43.079 3.697 ( 33.252 4.133 0.000) 33.508 5.189 ( -3.714 7.050 0.000) 7.969 5.230 ( -10.381 -11.210 0.000) 15.278 5.640 ( 32.771 4.690 0.000) 33.105 6.368 ( 5.616 6.148 0.000) 8.327 6.486 ( -10.292 -5.997 0.000) 11.912 7.033 ( 16.128 3.920 0.000) 16.598 7.732 ( -16.884 4.216 0.000) 17.403 8.173 ( -19.794 -3.173 0.000) 20.047 8.269 ( 18.897 8.058 0.000) 20.543 9.448 ( -14.991 -1.637 0.000) 15.080 14.158 ( 1.243 9.735 0.000) 9.814 14.904 ( -19.047 0.087 0.000) 19.047 15.180 ( 33.714 13.232 0.000) 36.218 17.106 ( -26.766 18.681 0.000) 32.640 19.380 ( 21.209 -38.246 0.000) 43.733 19.833 ( 10.290 -11.265 0.000) 15.257 21.059 ( 14.144 28.241 0.000) 31.585 22.000 ( -15.458 2.907 0.000) 15.729 27.100 ( 15.492 11.501 0.000) 19.295 28.115 ( -16.085 6.736 0.000) 17.439 30.652 ( -1.221 -7.656 0.000) 7.753 30.922 ( -2.403 -15.479 0.000) 15.664 31.473 ( -1.354 18.997 0.000) 19.045 31.637 ( -3.005 5.601 0.000) 6.356 32.603 ( 17.823 -0.435 0.000) 17.828 33.668 ( -12.390 -5.262 0.000) 13.461 36.571 ( -10.464 -2.586 0.000) 10.779 36.963 ( 38.939 12.759 0.000) 40.976 37.162 ( -28.236 -8.416 0.000) 29.464 39.035 ( -26.030 4.026 0.000) 26.339 42.254 ( 14.807 -5.607 0.000) 15.834 42.310 ( 12.698 -23.567 0.000) 26.770 43.134 ( 6.527 11.687 0.000) 13.386 43.489 ( -6.106 -0.630 0.000) 6.139======================= Grid point 16 (12/180) =======================q-point: ( 0.45 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.233 ( 27.717 -21.660 0.000) 35.176 4.289 ( 22.914 -4.045 0.000) 23.268 4.911 ( -16.538 2.838 0.000) 16.779 4.921 ( -17.948 -10.520 0.000) 20.804 6.190 ( 12.291 -5.642 0.000) 13.524 6.329 ( -5.623 -5.002 0.000) 7.526 6.667 ( 27.620 17.862 0.000) 32.893 7.272 ( -27.788 10.930 0.000) 29.860 7.389 ( 18.566 1.769 0.000) 18.650 7.776 ( -19.289 -0.846 0.000) 19.307 8.679 ( 20.915 3.315 0.000) 21.176 9.095 ( -19.380 -0.000 0.000) 19.380 14.269 ( 9.580 6.004 0.000) 11.306 14.536 ( -16.271 2.882 0.000) 16.524 15.866 ( 33.325 15.599 0.000) 36.795 16.520 ( -30.709 17.374 0.000) 35.283 19.747 ( 13.944 -29.294 0.000) 32.443 19.916 ( -2.276 -19.460 0.000) 19.592 21.361 ( 15.378 19.486 0.000) 24.823 21.679 ( -15.876 10.241 0.000) 18.893 27.430 ( 16.781 9.782 0.000) 19.424 27.776 ( -17.051 8.187 0.000) 18.915 30.693 ( 4.743 -9.234 0.000) 10.381 30.818 ( -6.724 -12.512 0.000) 14.205 31.496 ( 2.953 14.152 0.000) 14.457 31.568 ( -3.712 9.031 0.000) 9.764 32.994 ( 19.713 -4.748 0.000) 20.277 33.372 ( -16.828 -6.071 0.000) 17.889 36.469 ( 2.659 -3.049 0.000) 4.045 36.684 ( -17.859 -5.537 0.000) 18.697 37.758 ( 37.087 9.767 0.000) 38.352 38.453 ( -31.322 7.365 0.000) 32.177 42.466 ( 5.812 -10.914 0.000) 12.365 42.484 ( 4.046 -17.633 0.000) 18.091 43.251 ( 5.432 7.543 0.000) 9.295 43.366 ( -5.910 2.737 0.000) 6.513======================= Grid point 22 (13/180) =======================q-point: ( 0.00 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( 0.000 41.036 0.000) 41.036 1.960 ( 0.000 43.072 0.000) 43.072 2.992 ( 0.000 67.359 0.000) 67.359 5.102 ( 0.000 -11.099 0.000) 11.099 5.672 ( 0.000 -25.276 0.000) 25.276 5.930 ( 0.000 20.610 0.000) 20.610 6.422 ( 0.000 7.906 0.000) 7.906 7.028 ( 0.000 -13.626 0.000) 13.626 7.811 ( 0.000 -7.545 0.000) 7.545 8.067 ( 0.000 24.170 0.000) 24.170 8.868 ( 0.000 -20.261 0.000) 20.261 9.885 ( 0.000 -4.040 0.000) 4.040 13.498 ( 0.000 5.736 0.000) 5.736 13.804 ( 0.000 4.445 0.000) 4.445 15.363 ( 0.000 38.076 0.000) 38.076 18.040 ( 0.000 -0.428 0.000) 0.428 18.426 ( 0.000 -4.589 0.000) 4.589 18.961 ( 0.000 -15.464 0.000) 15.464 21.150 ( 0.000 13.199 0.000) 13.199 22.614 ( 0.000 -9.042 0.000) 9.042 26.845 ( 0.000 28.887 0.000) 28.887 29.059 ( 0.000 10.920 0.000) 10.920 30.164 ( 0.000 -28.044 0.000) 28.044 31.081 ( 0.000 -20.238 0.000) 20.238 31.789 ( 0.000 4.153 0.000) 4.153 32.152 ( 0.000 11.779 0.000) 11.779 34.294 ( 0.000 13.038 0.000) 13.038 34.689 ( 0.000 18.827 0.000) 18.827 35.854 ( 0.000 -13.075 0.000) 13.075 36.406 ( 0.000 -7.762 0.000) 7.762 38.540 ( 0.000 3.697 0.000) 3.697 39.814 ( 0.000 -22.310 0.000) 22.310 40.638 ( 0.000 4.200 0.000) 4.200 41.643 ( 0.000 -9.647 0.000) 9.647 41.925 ( 0.000 23.721 0.000) 23.721 43.668 ( 0.000 -8.302 0.000) 8.302======================= Grid point 23 (14/180) =======================q-point: ( 0.09 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( -2.875 43.263 0.000) 43.358 2.033 ( 21.980 35.177 0.000) 41.479 3.440 ( 36.209 53.905 0.000) 64.938 5.117 ( 1.308 -11.356 0.000) 11.432 5.704 ( 1.678 -21.836 0.000) 21.900 5.891 ( -1.552 14.997 0.000) 15.077 6.535 ( 9.386 11.231 0.000) 14.636 6.956 ( -6.823 -14.032 0.000) 15.603 7.855 ( 3.783 -6.853 0.000) 7.828 8.085 ( 1.716 23.273 0.000) 23.336 8.804 ( -6.045 -19.233 0.000) 20.161 9.864 ( -2.243 -4.316 0.000) 4.864 13.659 ( 15.563 7.336 0.000) 17.205 14.283 ( 38.936 -8.182 0.000) 39.787 15.228 ( -12.123 35.397 0.000) 37.416 17.910 ( -10.623 -7.579 0.000) 13.049 18.601 ( 15.854 -3.987 0.000) 16.348 18.844 ( -10.763 -4.274 0.000) 11.581 21.174 ( 2.452 16.588 0.000) 16.768 22.566 ( -4.656 -8.543 0.000) 9.730 26.887 ( 4.060 28.221 0.000) 28.512 28.992 ( -6.251 10.471 0.000) 12.195 30.213 ( 4.653 -27.709 0.000) 28.097 30.968 ( -10.038 -18.272 0.000) 20.848 31.793 ( 0.151 3.903 0.000) 3.905 32.146 ( -0.537 12.262 0.000) 12.273 34.208 ( -6.753 7.279 0.000) 9.929 34.220 ( -79.551 32.462 0.000) 85.919 34.963 ( 24.247 22.086 0.000) 32.798 37.742 ( 52.188 -37.313 0.000) 64.155 38.231 ( -26.493 2.972 0.000) 26.659 39.491 ( -22.858 -25.233 0.000) 34.047 40.899 ( 21.856 3.521 0.000) 22.137 41.389 ( -8.717 6.381 0.000) 10.803 42.434 ( 28.610 5.099 0.000) 29.061 43.651 ( -1.635 -7.844 0.000) 8.013======================= Grid point 24 (15/180) =======================q-point: ( 0.18 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( 18.276 23.219 0.000) 29.549 2.592 ( 31.023 25.002 0.000) 39.844 4.262 ( 42.303 37.022 0.000) 56.215 5.138 ( 0.113 -12.708 0.000) 12.708 5.648 ( -6.738 -4.491 0.000) 8.097 5.972 ( 8.964 -2.512 0.000) 9.309 6.750 ( 11.157 15.116 0.000) 18.787 6.766 ( -11.388 -14.280 0.000) 18.265 7.933 ( 3.013 -4.971 0.000) 5.813 8.141 ( 4.009 21.069 0.000) 21.447 8.633 ( -10.608 -16.244 0.000) 19.401 9.787 ( -5.526 -4.797 0.000) 7.318 14.104 ( 27.021 11.200 0.000) 29.250 14.938 ( -14.514 30.002 0.000) 33.328 15.003 ( 24.730 -11.359 0.000) 27.214 17.760 ( -0.044 -21.143 0.000) 21.143 18.555 ( -17.033 9.647 0.000) 19.575 18.990 ( 20.374 -4.737 0.000) 20.917 21.253 ( 5.317 20.821 0.000) 21.489 22.433 ( -8.111 -6.805 0.000) 10.588 27.008 ( 7.741 26.395 0.000) 27.507 28.821 ( -10.230 9.849 0.000) 14.201 30.337 ( 6.982 -26.972 0.000) 27.861 30.732 ( -11.784 -15.363 0.000) 19.362 31.791 ( -0.308 4.158 0.000) 4.170 32.134 ( -0.652 14.613 0.000) 14.627 33.007 ( -40.432 36.059 0.000) 54.175 34.042 ( -9.538 1.761 0.000) 9.699 35.593 ( 36.080 21.800 0.000) 42.155 37.619 ( -31.065 2.015 0.000) 31.131 38.064 ( -17.306 -20.818 0.000) 27.072 39.308 ( 5.170 -33.892 0.000) 34.284 41.343 ( 4.174 0.102 0.000) 4.175 41.385 ( 23.839 1.003 0.000) 23.860 42.903 ( 17.429 4.447 0.000) 17.988 43.604 ( -2.928 -6.503 0.000) 7.131======================= Grid point 25 (16/180) =======================q-point: ( 0.27 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.517 ( 29.752 -0.221 0.000) 29.753 3.232 ( 30.845 15.700 0.000) 34.610 5.090 ( 37.552 19.680 0.000) 42.396 5.094 ( -5.039 -15.782 0.000) 16.566 5.474 ( -9.883 -1.848 0.000) 10.054 6.207 ( 13.869 0.993 0.000) 13.904 6.523 ( -11.611 -12.660 0.000) 17.178 6.978 ( 11.123 15.687 0.000) 19.230 7.946 ( -2.292 -1.782 0.000) 2.904 8.262 ( 8.191 17.124 0.000) 18.982 8.381 ( -13.988 -11.649 0.000) 18.203 9.634 ( -9.588 -4.707 0.000) 10.681 14.544 ( -0.169 18.770 0.000) 18.770 14.862 ( 23.553 21.044 0.000) 31.585 15.182 ( -5.146 -1.540 0.000) 5.372 17.932 ( 6.670 -7.762 0.000) 10.234 18.216 ( -7.474 -7.589 0.000) 10.652 19.358 ( 14.446 -9.077 0.000) 17.061 21.387 ( 7.700 21.515 0.000) 22.852 22.250 ( -9.476 -3.201 0.000) 10.002 27.197 ( 10.770 23.817 0.000) 26.139 28.587 ( -12.634 10.300 0.000) 16.301 30.468 ( 5.170 -25.399 0.000) 25.920 30.527 ( -7.839 -13.850 0.000) 15.914 31.785 ( -0.144 5.512 0.000) 5.514 32.094 ( -4.726 24.959 0.000) 25.403 32.514 ( -8.702 12.961 0.000) 15.611 33.820 ( -12.253 -2.284 0.000) 12.465 36.350 ( 34.432 15.238 0.000) 37.653 37.064 ( -19.591 5.152 0.000) 20.257 37.512 ( -30.320 -15.457 0.000) 34.033 39.344 ( -5.310 -15.596 0.000) 16.475 41.542 ( 14.091 -13.197 0.000) 19.305 41.817 ( 17.917 -3.458 0.000) 18.248 43.168 ( 9.359 5.563 0.000) 10.888 43.537 ( -3.497 -4.305 0.000) 5.546======================= Grid point 26 (17/180) =======================q-point: ( 0.36 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.149 ( 31.220 -15.689 0.000) 34.940 3.805 ( 24.165 5.215 0.000) 24.722 4.920 ( -11.493 -17.165 0.000) 20.657 5.237 ( -12.628 0.103 0.000) 12.628 5.734 ( 23.382 -0.924 0.000) 23.400 6.322 ( -7.914 -9.668 0.000) 12.494 6.555 ( 21.121 14.105 0.000) 25.398 7.207 ( 11.730 12.145 0.000) 16.885 7.824 ( -10.068 3.750 0.000) 10.744 8.071 ( -16.213 -6.615 0.000) 17.510 8.477 ( 12.875 11.505 0.000) 17.266 9.398 ( -13.439 -3.199 0.000) 13.815 14.437 ( -3.569 16.497 0.000) 16.879 14.940 ( -15.453 3.588 0.000) 15.864 15.547 ( 36.669 21.261 0.000) 42.387 17.581 ( -26.933 25.337 0.000) 36.977 18.582 ( 26.602 -38.053 0.000) 46.429 19.534 ( 2.182 -16.621 0.000) 16.764 21.556 ( 8.669 19.264 0.000) 21.125 22.062 ( -8.833 2.571 0.000) 9.200 27.440 ( 13.006 20.899 0.000) 24.615 28.313 ( -14.157 12.147 0.000) 18.654 30.425 ( -2.204 -14.074 0.000) 14.246 30.525 ( 0.228 -22.477 0.000) 22.478 31.788 ( 0.534 8.477 0.000) 8.494 31.959 ( -6.585 26.848 0.000) 27.644 32.569 ( 10.662 -3.152 0.000) 11.118 33.544 ( -14.915 -5.960 0.000) 16.061 36.504 ( -10.737 -3.775 0.000) 11.381 36.940 ( -24.880 -12.301 0.000) 27.755 37.310 ( 35.278 20.017 0.000) 40.562 39.096 ( -18.043 0.406 0.000) 18.048 41.847 ( 14.423 -19.542 0.000) 24.288 42.096 ( 9.209 -9.311 0.000) 13.096 43.307 ( 4.683 5.369 0.000) 7.124 43.469 ( -3.054 -1.304 0.000) 3.321======================= Grid point 27 (18/180) =======================q-point: ( 0.45 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.743 ( 26.003 -23.918 0.000) 35.330 4.087 ( -2.101 -16.716 0.000) 16.847 4.751 ( 0.980 -2.940 0.000) 3.099 4.958 ( -14.227 2.646 0.000) 14.471 6.051 ( 9.491 -8.840 0.000) 12.970 6.191 ( -5.640 -8.530 0.000) 10.226 7.046 ( 25.393 17.590 0.000) 30.891 7.462 ( 13.335 5.465 0.000) 14.411 7.519 ( -19.939 11.729 0.000) 23.133 7.748 ( -14.953 -1.721 0.000) 15.052 8.772 ( 15.716 5.432 0.000) 16.628 9.098 ( -15.813 0.239 0.000) 15.815 14.452 ( 5.143 11.321 0.000) 12.435 14.639 ( -12.834 7.010 0.000) 14.623 16.287 ( 35.559 23.680 0.000) 42.722 16.977 ( -32.088 25.115 0.000) 40.748 19.090 ( 22.020 -32.591 0.000) 39.333 19.438 ( -11.430 -25.185 0.000) 27.658 21.729 ( 8.268 15.057 0.000) 17.178 21.893 ( -7.958 9.272 0.000) 12.219 27.720 ( 14.367 17.870 0.000) 22.930 28.018 ( -14.764 14.859 0.000) 20.947 30.429 ( 2.160 -15.921 0.000) 16.067 30.489 ( -3.101 -18.966 0.000) 19.218 31.809 ( 1.554 13.409 0.000) 13.499 31.857 ( -3.466 19.954 0.000) 20.253 32.861 ( 16.878 -7.686 0.000) 18.546 33.215 ( -17.243 -8.293 0.000) 19.134 36.382 ( 0.455 -5.181 0.000) 5.201 36.535 ( -14.260 -8.399 0.000) 16.550 38.027 ( 33.370 15.448 0.000) 36.773 38.639 ( -26.577 9.550 0.000) 28.241 42.089 ( 8.798 -19.194 0.000) 21.114 42.185 ( -0.347 -15.215 0.000) 15.219 43.374 ( 2.351 4.169 0.000) 4.787 43.417 ( -2.129 1.886 0.000) 2.844======================= Grid point 33 (19/180) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.593 ( 0.000 36.104 0.000) 36.104 2.767 ( 0.000 34.405 0.000) 34.405 4.288 ( 0.000 57.602 0.000) 57.602 4.829 ( 0.000 -14.833 0.000) 14.833 5.114 ( 0.000 -27.485 0.000) 27.485 6.428 ( 0.000 27.334 0.000) 27.334 6.663 ( 0.000 14.370 0.000) 14.370 6.668 ( 0.000 -21.460 0.000) 21.460 7.611 ( 0.000 -11.896 0.000) 11.896 8.362 ( 0.000 -28.366 0.000) 28.366 8.560 ( 0.000 23.376 0.000) 23.376 9.727 ( 0.000 -11.320 0.000) 11.320 13.644 ( 0.000 7.888 0.000) 7.888 13.879 ( 0.000 2.356 0.000) 2.356 16.230 ( 0.000 44.386 0.000) 44.386 18.050 ( 0.000 1.531 0.000) 1.531 18.318 ( 0.000 -5.638 0.000) 5.638 18.547 ( 0.000 -24.834 0.000) 24.834 21.454 ( 0.000 15.807 0.000) 15.807 22.391 ( 0.000 -12.425 0.000) 12.425 27.508 ( 0.000 34.230 0.000) 34.230 29.337 ( 0.000 15.932 0.000) 15.932 29.559 ( 0.000 -30.421 0.000) 30.421 30.629 ( 0.000 -22.987 0.000) 22.987 31.922 ( 0.000 8.674 0.000) 8.674 32.315 ( 0.000 3.581 0.000) 3.581 34.584 ( 0.000 14.638 0.000) 14.638 35.104 ( 0.000 20.817 0.000) 20.817 35.548 ( 0.000 -16.051 0.000) 16.051 36.200 ( 0.000 -12.199 0.000) 12.199 38.642 ( 0.000 6.284 0.000) 6.284 39.389 ( 0.000 -18.638 0.000) 18.638 40.754 ( 0.000 7.116 0.000) 7.116 41.416 ( 0.000 -12.004 0.000) 12.004 42.394 ( 0.000 21.631 0.000) 21.631 43.457 ( 0.000 -12.127 0.000) 12.127======================= Grid point 34 (20/180) =======================q-point: ( 0.09 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.701 ( -5.030 37.714 0.000) 38.048 2.748 ( 14.436 33.049 0.000) 36.065 4.454 ( 14.984 40.844 0.000) 43.506 4.835 ( 0.268 -15.544 0.000) 15.546 5.210 ( 8.627 -20.595 0.000) 22.328 6.325 ( -5.819 25.157 0.000) 25.821 6.594 ( -6.851 -21.037 0.000) 22.125 6.834 ( 12.379 16.861 0.000) 20.917 7.669 ( 5.149 -11.338 0.000) 12.453 8.327 ( -3.304 -26.617 0.000) 26.822 8.562 ( 0.229 22.691 0.000) 22.693 9.703 ( -2.411 -11.271 0.000) 11.526 13.839 ( 18.618 9.444 0.000) 20.876 14.201 ( 28.708 -2.057 0.000) 28.782 16.022 ( -18.056 39.875 0.000) 43.773 17.721 ( -23.351 -11.372 0.000) 25.973 18.520 ( 17.224 -3.483 0.000) 17.572 18.707 ( 7.694 -8.490 0.000) 11.458 21.488 ( 3.360 14.792 0.000) 15.169 22.355 ( -3.351 -11.675 0.000) 12.146 27.536 ( 2.804 33.673 0.000) 33.789 29.237 ( -8.159 10.416 0.000) 13.231 29.637 ( 6.117 -25.221 0.000) 25.952 30.549 ( -7.227 -21.653 0.000) 22.827 31.917 ( -0.531 8.103 0.000) 8.120 32.309 ( -0.578 3.212 0.000) 3.264 34.389 ( -13.626 9.436 0.000) 16.574 34.611 ( -54.372 8.748 0.000) 55.072 35.441 ( 26.842 23.973 0.000) 35.989 37.057 ( 45.889 -29.932 0.000) 54.788 38.315 ( -27.893 5.313 0.000) 28.395 39.033 ( -28.353 -19.340 0.000) 34.321 40.996 ( 19.837 5.933 0.000) 20.705 41.428 ( 0.052 -2.756 0.000) 2.756 42.611 ( 17.938 11.957 0.000) 21.558 43.454 ( -0.300 -11.208 0.000) 11.212======================= Grid point 35 (21/180) =======================q-point: ( 0.18 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.633 ( -0.373 34.087 0.000) 34.089 3.129 ( 21.585 25.579 0.000) 33.469 4.819 ( -2.458 -17.626 0.000) 17.797 4.823 ( 19.583 11.002 0.000) 22.462 5.398 ( 7.628 -6.790 0.000) 10.212 6.281 ( 3.361 25.905 0.000) 26.122 6.418 ( -9.620 -18.866 0.000) 21.177 7.091 ( 12.157 17.080 0.000) 20.965 7.785 ( 5.317 -10.025 0.000) 11.348 8.235 ( -5.554 -21.664 0.000) 22.364 8.574 ( 1.169 20.715 0.000) 20.748 9.627 ( -5.161 -10.736 0.000) 11.912 14.359 ( 30.896 12.683 0.000) 33.398 14.852 ( 29.493 -4.768 0.000) 29.876 15.606 ( -20.416 33.402 0.000) 39.147 17.307 ( -13.465 -22.120 0.000) 25.896 18.738 ( -5.080 6.453 0.000) 8.213 18.899 ( 17.675 -3.713 0.000) 18.061 21.585 ( 5.977 13.065 0.000) 14.368 22.266 ( -5.054 -9.212 0.000) 10.507 27.621 ( 5.479 32.075 0.000) 32.540 29.043 ( -10.495 9.527 0.000) 14.174 29.778 ( 7.467 -24.823 0.000) 25.921 30.370 ( -9.464 -19.234 0.000) 21.437 31.906 ( -0.310 7.154 0.000) 7.161 32.298 ( -0.139 2.039 0.000) 2.044 33.636 ( -40.297 24.043 0.000) 46.925 34.102 ( -14.630 3.116 0.000) 14.958 36.070 ( 33.038 24.049 0.000) 40.864 37.601 ( -1.778 -23.724 0.000) 23.790 37.685 ( -30.610 4.740 0.000) 30.975 38.635 ( 0.515 -29.285 0.000) 29.289 41.414 ( -0.638 4.286 0.000) 4.334 41.416 ( 19.302 1.880 0.000) 19.393 42.979 ( 16.158 3.968 0.000) 16.638 43.446 ( -0.412 -8.600 0.000) 8.610======================= Grid point 36 (22/180) =======================q-point: ( 0.27 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.715 ( 8.557 18.262 0.000) 20.168 3.562 ( 19.302 14.114 0.000) 23.912 4.727 ( -6.005 -17.825 0.000) 18.809 5.188 ( 14.013 -11.687 0.000) 18.247 5.464 ( 0.535 5.681 0.000) 5.706 6.233 ( -8.075 -14.924 0.000) 16.968 6.504 ( 17.649 24.595 0.000) 30.272 7.313 ( 9.539 15.962 0.000) 18.595 7.855 ( 1.133 -8.401 0.000) 8.477 8.106 ( -7.097 -13.796 0.000) 15.514 8.619 ( 3.526 17.226 0.000) 17.583 9.493 ( -7.920 -8.996 0.000) 11.986 14.909 ( 9.429 15.226 0.000) 17.909 15.190 ( 1.880 1.662 0.000) 2.509 15.381 ( 11.756 28.513 0.000) 30.842 17.322 ( 16.000 -32.925 0.000) 36.607 18.511 ( -16.639 16.703 0.000) 23.576 19.168 ( 7.665 -8.960 0.000) 11.791 21.720 ( 6.979 11.845 0.000) 13.748 22.166 ( -4.385 -4.849 0.000) 6.537 27.757 ( 7.826 29.581 0.000) 30.598 28.821 ( -11.162 11.039 0.000) 15.699 29.926 ( 6.602 -25.455 0.000) 26.297 30.196 ( -7.153 -17.715 0.000) 19.104 31.913 ( 1.292 6.995 0.000) 7.113 32.321 ( 2.997 0.028 0.000) 2.998 32.971 ( -25.863 26.716 0.000) 37.184 33.787 ( -16.452 -1.647 0.000) 16.534 36.601 ( 8.133 8.373 0.000) 11.673 37.190 ( -27.148 -15.024 0.000) 31.028 37.285 ( 2.583 17.039 0.000) 17.233 38.886 ( 13.130 -26.998 0.000) 30.022 41.437 ( 3.505 1.246 0.000) 3.720 41.736 ( 11.722 -4.379 0.000) 12.513 43.238 ( 9.412 2.039 0.000) 9.630 43.439 ( -0.208 -4.942 0.000) 4.947======================= Grid point 37 (23/180) =======================q-point: ( 0.36 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.965 ( 15.435 -1.127 0.000) 15.476 3.813 ( 2.504 -7.885 0.000) 8.273 4.652 ( 1.516 -4.554 0.000) 4.800 5.234 ( -6.998 -2.009 0.000) 7.281 5.607 ( 11.801 -7.005 0.000) 13.723 6.094 ( -5.939 -12.227 0.000) 13.593 6.924 ( 21.995 19.431 0.000) 29.349 7.479 ( 7.004 13.145 0.000) 14.894 7.826 ( -3.732 -6.117 0.000) 7.166 7.941 ( -9.457 -3.630 0.000) 10.130 8.724 ( 6.784 12.026 0.000) 13.807 9.310 ( -9.978 -5.574 0.000) 11.430 14.792 ( -8.294 16.495 0.000) 18.463 15.040 ( -12.337 5.431 0.000) 13.479 16.020 ( 38.236 24.137 0.000) 45.217 17.823 ( 26.610 -34.510 0.000) 43.578 18.093 ( -21.707 22.505 0.000) 31.268 19.184 ( -6.195 -16.659 0.000) 17.774 21.858 ( 6.335 10.482 0.000) 12.248 22.094 ( -2.795 0.476 0.000) 2.835 27.935 ( 9.600 26.271 0.000) 27.970 28.593 ( -11.250 13.944 0.000) 17.916 30.028 ( 3.206 -24.440 0.000) 24.649 30.090 ( -3.228 -17.735 0.000) 18.026 31.967 ( 4.084 8.539 0.000) 9.466 32.441 ( 8.654 0.018 0.000) 8.655 32.551 ( -15.921 19.956 0.000) 25.529 33.433 ( -18.304 -5.195 0.000) 19.027 36.427 ( -12.601 -3.205 0.000) 13.002 36.685 ( -21.193 -11.728 0.000) 24.221 37.760 ( 31.296 23.069 0.000) 38.880 39.001 ( -2.388 -10.185 0.000) 10.461 41.562 ( 8.321 -7.357 0.000) 11.106 41.886 ( 3.181 -10.556 0.000) 11.025 43.374 ( 4.339 1.700 0.000) 4.660 43.439 ( 0.137 -1.507 0.000) 1.514======================= Grid point 38 (24/180) =======================q-point: ( 0.45 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.313 ( 18.037 -16.220 0.000) 24.258 3.660 ( -14.678 -22.046 0.000) 26.486 4.807 ( 11.364 7.072 0.000) 13.385 5.042 ( -11.001 5.343 0.000) 12.229 5.824 ( 8.978 -12.328 0.000) 15.251 5.975 ( -6.201 -12.133 0.000) 13.626 7.352 ( 19.423 11.611 0.000) 22.629 7.610 ( 6.102 8.316 0.000) 10.314 7.691 ( -12.929 -0.181 0.000) 12.930 7.736 ( -7.120 5.102 0.000) 8.759 8.891 ( 9.452 5.735 0.000) 11.056 9.098 ( -10.599 -0.476 0.000) 10.610 14.705 ( 0.311 12.217 0.000) 12.221 14.806 ( -9.135 8.257 0.000) 12.314 16.790 ( 36.569 24.146 0.000) 43.821 17.486 ( -31.554 22.487 0.000) 38.747 18.449 ( 27.343 -28.265 0.000) 39.327 18.926 ( -18.731 -23.675 0.000) 30.188 21.969 ( 4.505 8.310 0.000) 9.453 22.041 ( -2.773 5.055 0.000) 5.766 28.142 ( 10.669 22.253 0.000) 24.678 28.365 ( -11.133 17.910 0.000) 21.088 30.058 ( -0.296 -19.267 0.000) 19.270 30.059 ( 0.185 -21.870 0.000) 21.871 32.083 ( 7.395 12.361 0.000) 14.404 32.270 ( -11.112 18.313 0.000) 21.420 32.701 ( 15.529 -6.916 0.000) 17.000 33.054 ( -18.558 -7.130 0.000) 19.881 36.270 ( -1.925 -5.157 0.000) 5.505 36.358 ( -10.479 -8.142 0.000) 13.271 38.361 ( 26.485 16.188 0.000) 31.040 38.804 ( -16.395 5.393 0.000) 17.260 41.741 ( 8.451 -13.402 0.000) 15.844 41.874 ( -4.029 -14.134 0.000) 14.697 43.429 ( 1.376 1.430 0.000) 1.984 43.441 ( -0.034 0.594 0.000) 0.595======================= Grid point 44 (25/180) =======================q-point: ( 0.00 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.227 ( 0.000 22.311 0.000) 22.311 3.314 ( 0.000 15.179 0.000) 15.179 4.541 ( 0.000 -10.102 0.000) 10.102 4.610 ( 0.000 -17.958 0.000) 17.958 5.345 ( 0.000 44.544 0.000) 44.544 6.127 ( 0.000 -31.529 0.000) 31.529 6.988 ( 0.000 16.601 0.000) 16.601 7.045 ( 0.000 31.973 0.000) 31.973 7.325 ( 0.000 -15.516 0.000) 15.516 7.722 ( 0.000 -32.820 0.000) 32.820 9.024 ( 0.000 21.318 0.000) 21.318 9.427 ( 0.000 -17.425 0.000) 17.425 13.797 ( 0.000 6.292 0.000) 6.292 13.885 ( 0.000 -2.009 0.000) 2.009 17.136 ( 0.000 42.184 0.000) 42.184 17.933 ( 0.000 -34.522 0.000) 34.522 18.105 ( 0.000 3.813 0.000) 3.813 18.202 ( 0.000 -5.368 0.000) 5.368 21.786 ( 0.000 16.112 0.000) 16.112 22.108 ( 0.000 -14.836 0.000) 14.836 28.221 ( 0.000 34.299 0.000) 34.299 28.911 ( 0.000 -32.421 0.000) 32.421 29.710 ( 0.000 20.044 0.000) 20.044 30.154 ( 0.000 -22.620 0.000) 22.620 32.125 ( 0.000 10.092 0.000) 10.092 32.295 ( 0.000 -5.289 0.000) 5.289 34.891 ( 0.000 15.142 0.000) 15.142 35.212 ( 0.000 -16.056 0.000) 16.056 35.527 ( 0.000 19.703 0.000) 19.703 35.903 ( 0.000 -16.505 0.000) 16.505 38.806 ( 0.000 9.763 0.000) 9.763 39.051 ( 0.000 -14.097 0.000) 14.097 40.933 ( 0.000 10.080 0.000) 10.080 41.164 ( 0.000 -12.035 0.000) 12.035 42.813 ( 0.000 18.859 0.000) 18.859 43.170 ( 0.000 -15.658 0.000) 15.658======================= Grid point 45 (26/180) =======================q-point: ( 0.09 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.326 ( 9.038 19.416 0.000) 21.416 3.328 ( 0.538 19.702 0.000) 19.709 4.529 ( -1.309 -10.908 0.000) 10.986 4.583 ( -0.857 -15.192 0.000) 15.216 5.446 ( 8.232 33.446 0.000) 34.444 6.089 ( -3.333 -27.915 0.000) 28.114 6.890 ( -3.320 27.883 0.000) 28.080 7.220 ( 10.807 20.936 0.000) 23.561 7.373 ( 4.194 -18.018 0.000) 18.500 7.739 ( 1.781 -28.842 0.000) 28.897 9.013 ( -0.997 20.787 0.000) 20.811 9.407 ( -1.930 -17.082 0.000) 17.191 14.022 ( 21.312 7.763 0.000) 22.681 14.145 ( 24.094 -4.062 0.000) 24.434 16.804 ( -25.781 34.422 0.000) 43.006 17.391 ( -30.450 -21.830 0.000) 37.467 18.478 ( 20.229 0.022 0.000) 20.229 18.541 ( 20.143 -6.233 0.000) 21.085 21.794 ( 0.923 14.770 0.000) 14.799 22.091 ( -1.500 -13.786 0.000) 13.868 28.240 ( 1.847 33.882 0.000) 33.933 28.916 ( 0.374 -30.980 0.000) 30.983 29.676 ( -3.046 18.229 0.000) 18.481 30.097 ( -5.268 -21.720 0.000) 22.350 32.110 ( -1.406 9.818 0.000) 9.918 32.280 ( -1.393 -5.603 0.000) 5.774 34.567 ( -21.933 7.276 0.000) 23.108 34.668 ( -34.897 -1.906 0.000) 34.949 35.947 ( 30.728 25.058 0.000) 39.650 36.478 ( 37.139 -26.570 0.000) 45.665 38.459 ( -29.283 8.902 0.000) 30.606 38.691 ( -29.785 -13.807 0.000) 32.829 41.141 ( 16.412 7.929 0.000) 18.227 41.309 ( 10.356 -7.754 0.000) 12.937 42.896 ( 7.733 14.734 0.000) 16.640 43.194 ( 2.355 -13.783 0.000) 13.983======================= Grid point 46 (27/180) =======================q-point: ( 0.18 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.297 ( -3.890 27.223 0.000) 27.500 3.538 ( 9.800 8.469 0.000) 12.953 4.495 ( -1.120 -8.429 0.000) 8.503 4.639 ( 6.834 -17.112 0.000) 18.426 5.604 ( 5.806 18.498 0.000) 19.388 6.010 ( -4.104 -20.193 0.000) 20.606 6.893 ( 3.990 30.916 0.000) 31.172 7.439 ( 10.216 16.587 0.000) 19.481 7.466 ( 4.427 -22.361 0.000) 22.795 7.795 ( 3.488 -19.148 0.000) 19.463 8.987 ( -1.401 19.086 0.000) 19.137 9.350 ( -3.615 -15.800 0.000) 16.208 14.596 ( 32.629 9.789 0.000) 34.066 14.754 ( 31.854 -5.642 0.000) 32.350 16.269 ( -24.217 29.970 0.000) 38.531 16.831 ( -22.261 -24.688 0.000) 33.243 18.817 ( 6.430 1.840 0.000) 6.688 18.845 ( 13.784 -1.548 0.000) 13.870 21.832 ( 2.990 11.338 0.000) 11.725 22.060 ( -1.201 -10.633 0.000) 10.701 28.295 ( 3.503 32.465 0.000) 32.654 28.915 ( -0.803 -24.820 0.000) 24.833 29.611 ( -2.545 11.408 0.000) 11.689 29.963 ( -7.265 -19.592 0.000) 20.896 32.078 ( -1.321 9.043 0.000) 9.139 32.246 ( -1.549 -6.261 0.000) 6.450 33.999 ( -30.119 11.439 0.000) 32.219 34.127 ( -21.047 -1.648 0.000) 21.112 36.577 ( 27.203 24.984 0.000) 36.935 37.095 ( 15.430 -25.037 0.000) 29.410 37.834 ( -26.470 10.325 0.000) 28.413 38.134 ( -15.193 -19.171 0.000) 24.461 41.456 ( 12.759 1.727 0.000) 12.876 41.470 ( 4.814 0.824 0.000) 4.884 43.091 ( 10.347 7.025 0.000) 12.507 43.261 ( 3.986 -9.001 0.000) 9.844======================= Grid point 47 (28/180) =======================q-point: ( 0.27 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.191 ( -5.604 25.482 0.000) 26.091 3.631 ( -2.104 -11.944 0.000) 12.127 4.546 ( 7.271 5.120 0.000) 8.892 4.838 ( 11.558 -18.531 0.000) 21.840 5.655 ( -0.556 11.616 0.000) 11.629 5.927 ( -4.198 -14.391 0.000) 14.990 7.051 ( 10.984 26.335 0.000) 28.534 7.546 ( 3.503 -20.778 0.000) 21.071 7.617 ( 7.033 13.281 0.000) 15.028 7.861 ( 2.372 -10.722 0.000) 10.981 8.963 ( -0.766 15.877 0.000) 15.896 9.264 ( -4.718 -13.055 0.000) 13.881 15.143 ( 11.670 7.189 0.000) 13.707 15.214 ( 7.758 -0.305 0.000) 7.763 16.005 ( 7.016 31.247 0.000) 32.025 16.656 ( 9.669 -31.823 0.000) 33.260 18.797 ( -8.084 11.125 0.000) 13.752 18.992 ( 0.179 -8.401 0.000) 8.403 21.914 ( 4.774 7.638 0.000) 9.007 22.053 ( 0.664 -6.076 0.000) 6.112 28.379 ( 4.618 29.521 0.000) 29.880 28.872 ( -3.403 -12.739 0.000) 13.186 29.592 ( 0.671 -0.285 0.000) 0.729 29.825 ( -5.839 -17.169 0.000) 18.134 32.072 ( 1.126 8.215 0.000) 8.292 32.235 ( 1.010 -6.944 0.000) 7.017 33.448 ( -24.221 18.157 0.000) 30.271 33.707 ( -20.478 -7.309 0.000) 21.743 36.739 ( -13.417 6.614 0.000) 14.959 36.917 ( -22.555 -11.030 0.000) 25.107 37.735 ( 19.156 25.420 0.000) 31.829 38.300 ( 21.299 -28.668 0.000) 35.714 41.520 ( 0.909 5.570 0.000) 5.643 41.636 ( 5.067 -5.313 0.000) 7.342 43.279 ( 7.612 2.329 0.000) 7.960 43.344 ( 3.928 -4.021 0.000) 5.621======================= Grid point 48 (29/180) =======================q-point: ( 0.36 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.106 ( -2.025 14.010 0.000) 14.155 3.483 ( -10.549 -20.319 0.000) 22.894 4.763 ( 12.395 12.336 0.000) 17.487 5.056 ( 8.511 -13.995 0.000) 16.380 5.615 ( -2.094 7.447 0.000) 7.736 5.833 ( -5.060 -12.412 0.000) 13.404 7.302 ( 12.712 16.734 0.000) 21.014 7.610 ( 2.607 -13.091 0.000) 13.348 7.721 ( 3.297 9.845 0.000) 10.383 7.874 ( -1.287 -4.851 0.000) 5.019 8.963 ( 0.814 10.887 0.000) 10.917 9.164 ( -4.955 -8.500 0.000) 9.839 15.059 ( -10.283 8.279 0.000) 13.201 15.123 ( -10.646 1.475 0.000) 10.748 16.543 ( 35.964 26.873 0.000) 44.895 17.141 ( 31.465 -31.125 0.000) 44.259 18.513 ( -18.992 17.997 0.000) 26.165 18.854 ( -13.354 -15.667 0.000) 20.586 22.012 ( 4.486 4.977 0.000) 6.700 22.080 ( 1.624 -1.885 0.000) 2.488 28.478 ( 5.008 24.473 0.000) 24.980 28.785 ( -4.886 -0.498 0.000) 4.911 29.625 ( 2.040 -9.438 0.000) 9.655 29.733 ( -3.207 -15.129 0.000) 15.465 32.138 ( 5.600 8.186 0.000) 9.918 32.306 ( 6.137 -7.947 0.000) 10.041 33.007 ( -19.155 18.679 0.000) 26.755 33.294 ( -20.030 -9.413 0.000) 22.131 36.397 ( -15.075 0.951 0.000) 15.105 36.482 ( -17.922 -7.296 0.000) 19.350 38.241 ( 25.060 23.065 0.000) 34.059 38.687 ( 14.156 -19.372 0.000) 23.993 41.534 ( 1.001 3.818 0.000) 3.947 41.678 ( -0.487 -9.183 0.000) 9.196 43.395 ( 3.911 0.662 0.000) 3.967 43.412 ( 2.574 -1.047 0.000) 2.779======================= Grid point 49 (30/180) =======================q-point: ( 0.45 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.125 ( 4.081 -1.183 0.000) 4.249 3.268 ( -9.508 -14.252 0.000) 17.133 4.997 ( 9.785 10.121 0.000) 14.078 5.128 ( -2.068 0.143 0.000) 2.073 5.622 ( 3.277 -3.929 0.000) 5.117 5.722 ( -5.698 -11.001 0.000) 12.389 7.533 ( 9.133 6.460 0.000) 11.187 7.636 ( -0.879 -3.783 0.000) 3.884 7.764 ( 1.538 5.632 0.000) 5.838 7.816 ( -3.649 0.844 0.000) 3.746 8.998 ( 2.688 4.471 0.000) 5.217 9.070 ( -4.220 -2.371 0.000) 4.841 14.906 ( -3.440 6.155 0.000) 7.051 14.935 ( -6.117 3.209 0.000) 6.908 17.268 ( 33.364 22.369 0.000) 40.169 17.687 ( 9.327 -12.973 0.000) 15.978 18.136 ( -6.527 8.072 0.000) 10.381 18.476 ( -22.676 -19.830 0.000) 30.124 22.083 ( 2.325 3.028 0.000) 3.818 22.103 ( 0.298 1.000 0.000) 1.043 28.580 ( 5.032 17.471 0.000) 18.181 28.683 ( -5.088 9.205 0.000) 10.518 29.661 ( 1.447 -12.990 0.000) 13.070 29.688 ( -1.487 -13.956 0.000) 14.035 32.300 ( 9.939 8.710 0.000) 13.216 32.443 ( 2.489 -3.936 0.000) 4.657 32.714 ( -4.844 10.050 0.000) 11.156 32.909 ( -17.042 -7.678 0.000) 18.692 36.195 ( -4.401 -1.506 0.000) 4.652 36.224 ( -7.208 -4.309 0.000) 8.398 38.661 ( 15.173 12.051 0.000) 19.377 38.828 ( -0.728 -3.524 0.000) 3.598 41.572 ( 2.749 -2.479 0.000) 3.702 41.636 ( -3.082 -8.092 0.000) 8.659 43.445 ( 1.136 0.281 0.000) 1.171 43.447 ( 0.857 0.040 0.000) 0.858======================= Grid point 99 (31/180) =======================q-point: ( 0.00 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.938 ( 0.000 0.000 45.212) 45.212 0.996 ( 0.000 0.000 47.900) 47.900 1.635 ( 0.000 0.000 77.937) 77.937 5.465 ( 0.000 0.000 -0.772) 0.772 5.473 ( 0.000 0.000 12.893) 12.893 5.968 ( 0.000 0.000 -8.963) 8.963 6.514 ( 0.000 0.000 -34.709) 34.709 6.588 ( 0.000 0.000 -13.166) 13.166 8.020 ( 0.000 0.000 34.723) 34.723 8.523 ( 0.000 0.000 -4.631) 4.631 9.382 ( 0.000 0.000 7.861) 7.861 9.830 ( 0.000 0.000 -6.642) 6.642 13.749 ( 0.000 0.000 6.634) 6.634 14.396 ( 0.000 0.000 -7.409) 7.409 15.369 ( 0.000 0.000 -11.170) 11.170 16.191 ( 0.000 0.000 12.927) 12.927 18.076 ( 0.000 0.000 -32.519) 32.519 18.114 ( 0.000 0.000 3.798) 3.798 19.676 ( 0.000 0.000 28.297) 28.297 22.760 ( 0.000 0.000 -4.652) 4.652 28.928 ( 0.000 0.000 9.202) 9.202 30.179 ( 0.000 0.000 0.602) 0.602 30.604 ( 0.000 0.000 -3.847) 3.847 30.686 ( 0.000 0.000 -21.038) 21.038 31.505 ( 0.000 0.000 -11.668) 11.668 31.716 ( 0.000 0.000 -2.156) 2.156 31.936 ( 0.000 0.000 25.643) 25.643 34.249 ( 0.000 0.000 1.618) 1.618 36.233 ( 0.000 0.000 8.505) 8.505 38.413 ( 0.000 0.000 -5.171) 5.171 39.384 ( 0.000 0.000 0.764) 0.764 39.515 ( 0.000 0.000 -0.062) 0.062 40.547 ( 0.000 0.000 -1.023) 1.023 40.658 ( 0.000 0.000 -1.203) 1.203 41.939 ( 0.000 0.000 7.777) 7.777 43.805 ( 0.000 0.000 -3.543) 3.543======================= Grid point 100 (32/180) =======================q-point: ( 0.09 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 25.118 0.000 28.565) 38.038 1.385 ( 36.512 0.000 29.806) 47.133 2.321 ( 50.887 0.000 58.267) 77.360 5.473 ( 0.160 0.000 10.811) 10.812 5.501 ( 3.139 0.000 -0.940) 3.277 6.000 ( 2.770 0.000 -9.359) 9.760 6.530 ( 1.447 0.000 -32.647) 32.679 6.571 ( -1.673 0.000 -13.489) 13.592 8.006 ( -1.086 0.000 34.188) 34.206 8.213 ( -12.362 0.000 9.564) 15.630 9.316 ( -7.115 0.000 8.770) 11.293 9.824 ( -0.808 0.000 -6.214) 6.266 13.576 ( 4.150 0.000 4.402) 6.050 14.311 ( -7.563 0.000 -7.593) 10.717 16.097 ( -9.034 0.000 12.337) 15.291 17.188 ( 83.703 0.000 -81.965) 117.151 18.131 ( 8.406 0.000 -2.484) 8.765 18.267 ( 17.745 0.000 -30.018) 34.870 19.721 ( 4.425 0.000 27.010) 27.370 22.700 ( -5.913 0.000 -4.812) 7.623 28.435 ( -72.722 0.000 76.775) 105.750 28.930 ( -10.402 0.000 20.189) 22.711 30.654 ( 4.792 0.000 -3.473) 5.918 31.323 ( 9.531 0.000 -17.117) 19.592 31.566 ( 5.763 0.000 -11.545) 12.903 31.712 ( -0.114 0.000 -1.899) 1.903 31.805 ( -9.465 0.000 23.464) 25.301 34.208 ( -3.924 0.000 1.430) 4.176 34.854 ( -30.198 0.000 39.685) 49.868 38.105 ( -26.202 0.000 -6.361) 26.963 39.184 ( -19.380 0.000 3.623) 19.716 40.328 ( -9.348 0.000 -12.454) 15.572 40.808 ( 22.780 0.000 -2.177) 22.884 41.176 ( 54.426 0.000 -33.924) 64.133 42.068 ( 11.388 0.000 7.112) 13.426 43.805 ( -1.099 0.000 -2.556) 2.782======================= Grid point 101 (33/180) =======================q-point: ( 0.18 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 40.850 0.000 0.788) 40.857 2.215 ( 42.836 0.000 17.229) 46.171 3.431 ( 55.971 0.000 42.459) 70.253 5.482 ( 0.569 0.000 7.074) 7.097 5.562 ( 1.690 0.000 -2.374) 2.914 6.059 ( 2.582 0.000 -12.210) 12.480 6.547 ( 0.463 0.000 -12.994) 13.002 6.556 ( 0.440 0.000 -26.012) 26.016 8.003 ( 1.732 0.000 31.534) 31.582 8.089 ( -3.139 0.000 3.930) 5.030 9.098 ( -14.049 0.000 10.329) 17.437 9.787 ( -3.125 0.000 -4.981) 5.880 13.851 ( 20.598 0.000 -2.233) 20.718 14.136 ( -8.390 0.000 -7.149) 11.023 15.835 ( -16.450 0.000 11.336) 19.977 17.651 ( -9.671 0.000 -11.836) 15.285 18.730 ( 26.019 0.000 -24.556) 35.777 18.893 ( 45.937 0.000 -48.135) 66.537 19.850 ( 8.003 0.000 23.254) 24.592 22.524 ( -11.277 0.000 -5.306) 12.463 27.497 ( -22.493 0.000 73.901) 77.248 28.760 ( -9.504 0.000 14.821) 17.606 30.789 ( 8.157 0.000 -2.417) 8.508 31.174 ( -14.986 0.000 6.589) 16.371 31.656 ( 0.053 0.000 -5.478) 5.479 31.676 ( -5.597 0.000 11.047) 12.384 31.796 ( 11.298 0.000 -6.890) 13.234 34.095 ( -7.009 0.000 0.802) 7.055 35.015 ( 30.933 0.000 0.583) 30.938 37.501 ( -30.740 0.000 -7.520) 31.646 38.655 ( -30.953 0.000 6.037) 31.536 39.958 ( -22.459 0.000 -5.440) 23.109 41.344 ( 27.617 0.000 -2.391) 27.721 41.980 ( 28.968 0.000 -19.486) 34.912 42.335 ( 13.471 0.000 5.732) 14.639 43.749 ( -4.213 0.000 -0.663) 4.264======================= Grid point 102 (34/180) =======================q-point: ( 0.27 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.702 ( 40.175 0.000 -9.571) 41.300 3.077 ( 41.305 0.000 10.888) 42.716 4.528 ( 49.858 0.000 30.290) 58.338 5.481 ( -1.358 0.000 4.289) 4.498 5.529 ( -4.487 0.000 -5.990) 7.484 6.097 ( 1.246 0.000 -16.433) 16.480 6.521 ( -4.186 0.000 -16.121) 16.656 6.636 ( 8.889 0.000 -10.082) 13.441 8.000 ( -6.757 0.000 2.370) 7.160 8.111 ( 9.422 0.000 24.984) 26.701 8.756 ( -19.377 0.000 11.869) 22.723 9.681 ( -7.667 0.000 -2.945) 8.213 14.012 ( -3.074 0.000 -5.142) 5.991 14.361 ( 28.735 0.000 -4.206) 29.041 15.447 ( -21.208 0.000 10.074) 23.480 17.333 ( -20.002 0.000 -4.387) 20.477 19.265 ( 25.481 0.000 -18.002) 31.199 19.698 ( 34.802 0.000 -31.061) 46.647 20.028 ( 8.753 0.000 17.375) 19.455 22.247 ( -15.862 0.000 -6.218) 17.037 27.306 ( 0.182 0.000 51.866) 51.867 28.533 ( -12.692 0.000 16.855) 21.100 30.910 ( -9.559 0.000 7.459) 12.124 30.971 ( 9.486 0.000 -0.977) 9.537 31.521 ( -9.608 0.000 10.389) 14.150 31.627 ( -2.233 0.000 -2.572) 3.406 32.107 ( 18.348 0.000 -8.194) 20.094 33.928 ( -9.406 0.000 -0.428) 9.415 35.803 ( 43.251 0.000 -9.960) 44.383 36.924 ( -24.739 0.000 -7.345) 25.806 37.984 ( -33.960 0.000 6.552) 34.586 39.465 ( -25.742 0.000 -5.528) 26.329 41.876 ( 24.064 0.000 -1.749) 24.127 42.469 ( 20.254 0.000 -9.878) 22.535 42.578 ( 9.825 0.000 4.230) 10.697 43.641 ( -6.285 0.000 -0.030) 6.285======================= Grid point 103 (35/180) =======================q-point: ( 0.36 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.478 ( 35.964 0.000 -13.372) 38.370 3.875 ( 36.803 0.000 7.061) 37.475 5.081 ( -7.072 0.000 -2.683) 7.564 5.385 ( -9.151 0.000 2.524) 9.493 5.732 ( 36.047 0.000 12.962) 38.307 6.122 ( 1.624 0.000 -17.444) 17.519 6.401 ( -6.873 0.000 -9.151) 11.445 6.886 ( 14.195 0.000 -7.687) 16.143 7.792 ( -13.493 0.000 6.188) 14.844 8.327 ( -22.266 0.000 12.425) 25.499 8.382 ( 16.600 0.000 16.766) 23.593 9.467 ( -13.421 0.000 0.070) 13.421 14.032 ( 5.247 0.000 -1.889) 5.577 14.989 ( 32.323 0.000 -4.629) 32.653 14.998 ( -22.312 0.000 8.106) 23.739 16.863 ( -25.882 0.000 -3.379) 26.102 19.732 ( 19.858 0.000 -10.947) 22.675 20.175 ( 4.961 0.000 10.229) 11.368 20.353 ( 30.115 0.000 -19.669) 35.969 21.883 ( -19.833 0.000 -7.669) 21.264 27.416 ( 9.364 0.000 38.014) 39.150 28.252 ( -14.691 0.000 20.016) 24.829 30.806 ( -0.693 0.000 7.123) 7.157 31.163 ( 9.108 0.000 0.230) 9.111 31.299 ( -11.851 0.000 9.879) 15.428 31.567 ( -3.752 0.000 -1.100) 3.910 32.521 ( 21.908 0.000 -7.714) 23.227 33.705 ( -12.942 0.000 -2.428) 13.168 36.544 ( -11.510 0.000 -5.216) 12.637 36.695 ( 43.402 0.000 -11.692) 44.950 37.316 ( -30.768 0.000 5.434) 31.245 38.910 ( -28.980 0.000 -7.037) 29.822 42.303 ( 17.697 0.000 -0.838) 17.717 42.719 ( 3.838 0.000 2.776) 4.736 42.827 ( 15.378 0.000 -5.189) 16.230 43.497 ( -7.861 0.000 -0.248) 7.865======================= Grid point 104 (36/180) =======================q-point: ( 0.45 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.156 ( 30.597 0.000 -14.124) 33.699 4.559 ( 30.139 0.000 4.281) 30.442 4.714 ( -23.993 0.000 -12.375) 26.996 5.082 ( -20.741 0.000 2.401) 20.880 6.175 ( 3.670 0.000 -13.787) 14.267 6.270 ( -5.641 0.000 -9.478) 11.029 6.516 ( 35.635 0.000 10.009) 37.014 7.037 ( -8.995 0.000 -4.920) 10.252 7.585 ( 2.154 0.000 13.685) 13.853 7.881 ( -20.667 0.000 10.931) 23.380 8.756 ( 19.448 0.000 9.775) 21.766 9.143 ( -18.022 0.000 4.272) 18.522 14.225 ( 13.504 0.000 1.814) 13.625 14.566 ( -19.569 0.000 5.289) 20.271 15.652 ( 32.453 0.000 -4.292) 32.735 16.291 ( -30.090 0.000 -3.679) 30.314 20.056 ( 11.734 0.000 -3.951) 12.381 20.202 ( -2.716 0.000 2.987) 4.037 20.931 ( 26.831 0.000 -13.466) 30.021 21.443 ( -23.457 0.000 -9.897) 25.460 27.654 ( 13.471 0.000 29.573) 32.497 27.947 ( -15.041 0.000 24.044) 28.361 30.872 ( 6.793 0.000 7.788) 10.334 31.060 ( -11.097 0.000 8.883) 14.214 31.335 ( 7.676 0.000 0.624) 7.701 31.471 ( -5.725 0.000 0.089) 5.726 32.974 ( 21.991 0.000 -6.706) 22.991 33.388 ( -18.254 0.000 -4.848) 18.887 36.487 ( 6.046 0.000 -1.329) 6.191 36.774 ( -21.422 0.000 2.681) 21.589 37.538 ( 39.088 0.000 -10.797) 40.552 38.277 ( -33.613 0.000 -8.993) 34.795 42.590 ( 10.441 0.000 0.224) 10.444 42.727 ( -3.110 0.000 1.431) 3.423 43.103 ( 11.944 0.000 -2.603) 12.225 43.320 ( -9.560 0.000 -1.082) 9.621======================= Grid point 110 (37/180) =======================q-point: ( 0.00 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( 0.000 31.067 32.555) 45.000 1.417 ( 0.000 33.974 33.259) 47.544 2.177 ( 0.000 46.741 53.978) 71.402 5.413 ( 0.000 -5.450 12.450) 13.590 5.587 ( 0.000 11.218 -0.239) 11.221 5.969 ( 0.000 -5.990 -5.852) 8.374 6.157 ( 0.000 -12.345 -25.665) 28.480 6.871 ( 0.000 10.700 -20.516) 23.139 8.063 ( 0.000 4.574 30.276) 30.620 8.170 ( 0.000 -18.549 9.930) 21.040 9.279 ( 0.000 -9.865 8.284) 12.882 9.843 ( 0.000 0.502 -6.843) 6.862 13.781 ( 0.000 2.900 6.184) 6.831 13.905 ( 0.000 -30.485 30.970) 43.457 14.640 ( 0.000 22.092 -7.266) 23.256 18.039 ( 0.000 -3.528 -32.719) 32.908 18.099 ( 0.000 0.603 2.722) 2.788 18.981 ( 0.000 104.281 -89.692) 137.548 19.612 ( 0.000 -6.249 28.553) 29.229 22.710 ( 0.000 -4.848 -4.695) 6.748 28.035 ( 0.000 -58.196 75.515) 95.338 29.045 ( 0.000 3.767 16.611) 17.033 30.450 ( 0.000 -19.405 -17.859) 26.372 31.532 ( 0.000 -4.022 -3.027) 5.034 31.705 ( 0.000 1.371 -4.110) 4.333 31.950 ( 0.000 5.042 15.716) 16.505 32.696 ( 0.000 69.056 -67.208) 96.362 34.358 ( 0.000 9.966 -0.340) 9.972 36.167 ( 0.000 -6.152 9.444) 11.271 37.670 ( 0.000 -59.099 51.746) 78.552 38.426 ( 0.000 1.288 -5.555) 5.702 39.956 ( 0.000 -14.400 -20.222) 24.825 40.715 ( 0.000 5.088 5.869) 7.767 41.222 ( 0.000 37.472 -11.587) 39.222 41.885 ( 0.000 -5.151 7.958) 9.480 43.761 ( 0.000 -4.252 -3.568) 5.551======================= Grid point 111 (38/180) =======================q-point: ( 0.09 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.364 ( 9.609 25.005 28.930) 39.427 1.676 ( 27.365 23.334 26.454) 44.644 2.787 ( 45.966 38.870 41.642) 73.196 5.416 ( 0.362 -5.522 10.921) 12.243 5.587 ( -0.270 8.088 -1.495) 8.229 6.021 ( 4.460 -7.015 -5.395) 9.910 6.181 ( 2.308 -7.673 -25.178) 26.422 6.857 ( -1.388 10.040 -19.047) 21.576 8.026 ( -4.321 -1.677 21.013) 21.518 8.115 ( -0.623 -2.790 15.337) 15.601 9.213 ( -6.662 -9.682 9.080) 14.852 9.833 ( -1.124 0.254 -6.341) 6.444 13.591 ( 5.885 1.944 3.636) 7.186 14.520 ( -6.831 17.330 -8.292) 20.390 14.919 ( 48.204 -39.674 13.634) 63.903 18.011 ( 1.970 -6.107 -18.645) 19.718 18.151 ( -1.367 9.083 -13.364) 16.216 18.908 ( 2.444 49.409 -39.890) 63.549 19.877 ( 18.395 21.101 -5.390) 28.508 22.652 ( -5.640 -4.584 -4.853) 8.739 27.771 ( -20.156 -30.429 76.514) 84.773 28.975 ( -6.081 5.254 15.163) 17.161 30.497 ( 4.219 -18.421 -15.031) 24.146 31.464 ( -5.188 -7.975 2.303) 9.789 31.688 ( -2.177 4.599 -5.360) 7.391 31.865 ( -8.273 10.713 12.454) 18.394 32.517 ( -17.887 62.074 -34.683) 73.321 34.322 ( -7.915 11.451 2.767) 14.192 34.919 ( -28.556 5.394 32.854) 43.863 38.106 ( -26.865 0.089 -7.378) 27.860 38.676 ( 22.370 -39.865 6.490) 46.171 39.965 ( -1.683 -25.983 -9.933) 27.867 40.864 ( 18.300 4.827 1.177) 18.962 41.226 ( 7.823 7.876 -4.621) 12.024 42.249 ( 23.635 9.070 -3.657) 25.579 43.752 ( -1.249 -4.714 -2.691) 5.570======================= Grid point 112 (39/180) =======================q-point: ( 0.18 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 34.615 3.729 8.624) 35.867 2.349 ( 36.511 13.229 17.163) 42.457 3.795 ( 50.834 29.686 30.979) 66.521 5.426 ( 0.343 -5.493 7.899) 9.628 5.558 ( -3.055 0.457 -4.606) 5.546 6.121 ( 4.883 -6.862 -5.252) 9.925 6.248 ( 3.805 -0.463 -24.708) 25.003 6.823 ( -1.458 9.045 -12.925) 15.843 7.943 ( -3.244 -4.914 10.262) 11.832 8.152 ( 3.354 5.675 17.384) 18.592 9.014 ( -12.668 -7.931 10.776) 18.425 9.786 ( -3.759 -0.530 -4.952) 6.239 13.893 ( 21.384 4.810 -2.795) 22.096 14.329 ( -9.071 17.234 -8.102) 21.093 15.500 ( 7.780 -21.641 11.873) 25.881 17.945 ( -14.984 18.110 -3.145) 23.715 18.246 ( 19.410 -22.707 -24.415) 38.580 19.178 ( 20.373 6.790 -8.755) 23.191 20.228 ( 15.940 30.642 -15.608) 37.903 22.486 ( -10.533 -3.629 -5.345) 12.356 27.444 ( -9.578 -1.225 63.607) 64.335 28.816 ( -9.473 5.433 15.119) 18.650 30.595 ( 4.589 -17.026 -10.358) 20.451 31.322 ( -9.942 -11.800 19.301) 24.710 31.589 ( -5.273 20.277 -7.882) 22.385 31.719 ( -3.623 6.427 0.224) 7.381 32.237 ( -6.022 29.441 -4.358) 30.365 34.099 ( -9.942 1.243 4.164) 10.851 35.140 ( 31.858 11.365 -3.812) 34.039 37.492 ( -31.052 -0.942 -8.820) 32.294 38.507 ( -26.240 -13.313 6.436) 30.119 39.823 ( -13.218 -14.895 -4.764) 20.476 41.354 ( 26.118 0.779 -1.542) 26.175 41.564 ( 22.029 -19.041 -1.191) 29.142 42.655 ( 16.158 14.544 -5.034) 22.316 43.701 ( -3.711 -4.365 -1.284) 5.871======================= Grid point 113 (40/180) =======================q-point: ( 0.27 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.627 ( 38.852 -6.106 -4.022) 39.534 3.104 ( 36.898 5.269 11.901) 39.126 4.782 ( 43.426 19.819 20.523) 51.960 5.401 ( -3.285 -6.077 1.119) 6.998 5.469 ( -4.392 -5.131 -2.470) 7.192 6.209 ( 3.741 2.036 -6.377) 7.669 6.296 ( -0.148 -5.050 -24.274) 24.795 6.842 ( 4.689 10.153 -3.809) 11.815 7.879 ( -4.207 -6.820 1.806) 8.214 8.248 ( 6.549 8.239 17.580) 20.489 8.709 ( -16.935 -4.215 13.191) 21.876 9.669 ( -8.055 -1.341 -2.728) 8.610 14.136 ( -3.120 11.515 -5.894) 13.307 14.474 ( 28.755 10.619 -4.810) 31.028 15.383 ( -15.132 -4.219 11.066) 19.215 17.565 ( -21.823 19.636 -3.987) 29.626 18.752 ( 27.691 -34.775 -13.224) 46.378 19.605 ( 19.435 -5.559 1.805) 20.295 20.540 ( 15.236 31.116 -16.738) 38.477 22.232 ( -14.215 -1.442 -6.245) 15.593 27.382 ( 2.501 7.623 47.389) 48.063 28.593 ( -12.357 5.785 16.987) 21.788 30.653 ( 0.915 -15.016 -4.065) 15.584 31.145 ( -5.453 -5.263 17.361) 18.943 31.522 ( -3.039 13.487 -2.290) 14.014 31.670 ( -1.853 4.379 -2.442) 5.345 32.263 ( 8.099 11.511 -4.158) 14.676 33.895 ( -10.717 -2.514 0.623) 11.026 35.923 ( 42.218 10.890 -11.321) 45.046 36.914 ( -24.458 -0.967 -8.616) 25.949 37.879 ( -32.786 -9.305 7.545) 34.906 39.458 ( -21.735 -1.848 -5.328) 22.455 41.856 ( 22.423 -3.070 -1.422) 22.677 42.005 ( 19.940 -22.833 1.504) 30.351 42.922 ( 10.504 14.217 -3.838) 18.088 43.606 ( -5.527 -3.228 -0.680) 6.437======================= Grid point 114 (41/180) =======================q-point: ( 0.36 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.391 ( 35.602 -9.193 -10.235) 38.168 3.824 ( 33.440 -1.675 9.404) 34.778 5.053 ( -13.422 -4.150 -9.149) 16.765 5.344 ( -9.896 -5.270 4.912) 12.241 5.729 ( 30.058 1.887 5.718) 30.655 6.241 ( -3.833 -7.714 -18.151) 20.091 6.315 ( 9.651 12.313 -3.525) 16.036 7.030 ( 12.725 10.372 -1.943) 16.531 7.727 ( -11.033 -4.849 1.215) 12.113 8.283 ( -16.630 -3.183 10.926) 20.152 8.496 ( 9.764 8.645 17.704) 21.989 9.454 ( -12.981 -1.145 0.497) 13.041 14.128 ( 3.455 9.038 -2.398) 9.969 15.001 ( -20.395 1.038 8.842) 22.253 15.126 ( 33.602 12.703 -5.059) 36.277 17.068 ( -26.935 18.285 -3.813) 32.778 19.299 ( 24.967 -32.822 -6.237) 41.708 19.905 ( 9.040 -12.558 5.062) 16.281 20.862 ( 16.599 27.247 -16.258) 35.808 21.917 ( -16.515 2.915 -7.722) 18.463 27.510 ( 9.401 9.011 35.855) 38.146 28.321 ( -14.222 6.576 19.798) 25.248 30.669 ( 1.962 -11.318 2.404) 11.736 31.060 ( -4.986 -11.654 12.519) 17.815 31.470 ( -0.855 16.270 -0.189) 16.293 31.629 ( -2.394 5.806 -1.112) 6.378 32.535 ( 17.499 0.937 -6.225) 18.597 33.649 ( -13.797 -4.809 -1.958) 14.742 36.509 ( -8.631 -2.963 -5.496) 10.653 36.821 ( 39.127 11.067 -12.795) 42.627 37.237 ( -29.091 -6.871 6.343) 30.557 38.960 ( -27.093 4.059 -7.087) 28.298 42.246 ( 15.600 -6.676 -0.337) 16.972 42.344 ( 12.905 -20.075 2.784) 24.027 43.096 ( 6.927 11.736 -3.276) 14.016 43.483 ( -6.481 -1.308 -0.877) 6.670======================= Grid point 115 (42/180) =======================q-point: ( 0.45 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.054 ( 29.106 -10.561 -12.088) 33.239 4.393 ( 13.686 -11.787 4.244) 18.554 4.731 ( -8.394 -0.790 -9.813) 12.937 5.035 ( -19.955 -4.379 5.184) 21.077 6.070 ( 6.572 -5.947 -12.031) 14.944 6.163 ( -3.796 -7.701 -12.887) 15.485 6.743 ( 27.870 16.385 4.538) 32.647 7.191 ( -8.227 12.172 -5.094) 15.550 7.553 ( 4.749 -2.707 11.706) 12.920 7.876 ( -20.308 -0.379 11.754) 23.467 8.800 ( 17.124 4.050 10.322) 20.400 9.149 ( -16.628 0.671 4.841) 17.332 14.285 ( 11.889 5.883 1.781) 13.384 14.597 ( -18.302 3.343 5.731) 19.468 15.816 ( 33.627 15.060 -4.840) 37.161 16.476 ( -31.042 16.834 -4.242) 35.567 19.730 ( 16.684 -26.528 -1.169) 31.360 19.951 ( -4.550 -19.154 2.976) 19.911 21.212 ( 17.579 19.330 -13.315) 29.325 21.570 ( -17.512 10.192 -10.054) 22.619 27.742 ( 13.033 8.474 28.348) 32.331 28.026 ( -14.536 7.534 23.378) 28.541 30.756 ( 6.531 -10.330 6.274) 13.738 30.916 ( -8.425 -11.761 9.330) 17.215 31.499 ( 3.095 13.170 0.212) 13.531 31.569 ( -3.392 8.750 0.000) 9.385 32.929 ( 20.277 -4.136 -6.112) 21.578 33.325 ( -18.068 -5.692 -4.476) 19.465 36.454 ( 5.309 -3.090 -1.291) 6.276 36.719 ( -20.057 -5.002 3.146) 20.909 37.638 ( 38.057 9.237 -11.287) 40.756 38.356 ( -32.485 7.112 -9.249) 34.516 42.477 ( 6.851 -10.658 1.251) 12.732 42.513 ( 3.405 -15.690 2.654) 16.273 43.222 ( 5.952 7.407 -2.740) 9.889 43.349 ( -6.530 2.203 -1.709) 7.100======================= Grid point 121 (43/180) =======================q-point: ( 0.00 0.22 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 0.000 34.452 21.766) 40.752 2.189 ( 0.000 38.186 20.875) 43.519 3.289 ( 0.000 56.410 27.556) 62.780 5.248 ( 0.000 -10.162 13.742) 17.092 5.559 ( 0.000 -25.000 -10.944) 27.290 5.919 ( 0.000 20.451 -0.767) 20.465 6.205 ( 0.000 7.943 -16.838) 18.617 6.967 ( 0.000 -1.216 -8.552) 8.638 7.875 ( 0.000 -12.052 4.133) 12.741 8.219 ( 0.000 9.693 14.624) 17.545 8.992 ( 0.000 -16.904 10.600) 19.953 9.815 ( 0.000 -3.898 -6.931) 7.952 13.654 ( 0.000 -1.408 13.231) 13.305 13.855 ( 0.000 3.755 5.039) 6.284 15.263 ( 0.000 36.640 -9.044) 37.740 17.929 ( 0.000 -7.190 -33.265) 34.033 18.111 ( 0.000 1.427 6.161) 6.324 19.416 ( 0.000 -12.740 29.278) 31.930 20.398 ( 0.000 44.847 -55.312) 71.208 22.563 ( 0.000 -9.322 -4.988) 10.573 27.558 ( 0.000 2.090 52.453) 52.495 29.205 ( 0.000 10.943 14.371) 18.063 29.984 ( 0.000 -24.641 -13.076) 27.896 31.271 ( 0.000 -18.709 11.968) 22.210 31.759 ( 0.000 4.458 -3.093) 5.426 32.139 ( 0.000 10.125 0.990) 10.173 33.671 ( 0.000 33.113 -45.818) 56.531 34.618 ( 0.000 13.933 -6.185) 15.244 35.996 ( 0.000 -9.712 12.816) 16.080 36.878 ( 0.000 -24.907 32.810) 41.193 38.468 ( 0.000 2.771 -6.782) 7.326 39.574 ( 0.000 -19.812 -17.861) 26.675 40.809 ( 0.000 4.537 11.755) 12.600 41.734 ( 0.000 -9.206 8.520) 12.544 41.852 ( 0.000 26.116 -6.254) 26.854 43.631 ( 0.000 -8.346 -3.637) 9.104======================= Grid point 122 (44/180) =======================q-point: ( 0.09 0.22 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( -4.862 38.890 20.166) 44.077 2.244 ( 18.171 30.135 18.843) 39.917 3.693 ( 33.023 45.211 23.171) 60.592 5.247 ( 0.063 -10.702 11.337) 15.590 5.582 ( 0.624 -21.371 -10.771) 23.940 5.877 ( -1.164 15.040 -1.044) 15.121 6.307 ( 7.348 10.023 -16.731) 20.842 6.948 ( -1.605 -0.709 -5.570) 5.840 7.864 ( -1.063 -9.659 1.217) 9.794 8.234 ( 1.728 8.922 13.795) 16.519 8.940 ( -4.953 -15.526 11.439) 19.911 9.800 ( -1.623 -4.096 -6.282) 7.673 13.672 ( 10.335 5.924 1.532) 12.010 14.404 ( 37.974 -9.374 10.346) 40.459 15.132 ( -10.708 32.746 -8.430) 35.468 17.862 ( -7.256 -7.442 -11.823) 15.742 18.219 ( 9.989 0.671 -11.667) 15.374 19.279 ( -9.147 -0.793 21.348) 23.238 20.563 ( 13.017 34.118 -43.563) 56.844 22.514 ( -4.744 -8.717 -5.094) 11.155 27.550 ( -0.454 5.963 50.363) 50.717 29.141 ( -5.949 10.655 14.570) 19.005 30.039 ( 5.063 -24.254 -12.089) 27.569 31.180 ( -7.971 -17.990 13.911) 24.097 31.762 ( 0.035 4.198 -3.085) 5.209 32.119 ( -1.838 11.440 -0.620) 11.604 33.486 ( -21.364 31.707 -36.276) 52.704 34.678 ( -14.469 21.716 1.738) 26.153 35.029 ( -18.244 4.526 17.947) 25.988 37.866 ( 44.022 -35.236 10.457) 57.348 38.110 ( -29.159 -0.237 -10.308) 30.929 39.470 ( -11.061 -21.244 -2.895) 24.125 40.943 ( 14.933 3.096 4.315) 15.849 41.436 ( -7.923 9.464 3.820) 12.920 42.387 ( 27.708 6.215 -3.430) 28.603 43.619 ( -1.226 -8.164 -3.231) 8.865======================= Grid point 123 (45/180) =======================q-point: ( 0.18 0.22 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.149 ( 13.687 24.052 13.993) 31.010 2.725 ( 27.493 21.925 12.489) 37.317 4.438 ( 37.409 28.288 15.463) 49.384 5.253 ( 0.350 -10.977 9.524) 14.537 5.514 ( -7.016 -9.793 -12.331) 17.239 5.949 ( 7.595 4.443 -0.132) 8.800 6.418 ( 2.261 6.798 -18.218) 19.576 6.935 ( 1.567 3.776 1.226) 4.268 7.829 ( -2.383 -5.811 -4.573) 7.769 8.295 ( 3.907 6.194 11.670) 13.777 8.802 ( -8.156 -10.646 14.042) 19.417 9.741 ( -4.379 -4.342 -4.506) 7.638 14.054 ( 25.272 10.213 -4.080) 27.561 14.768 ( -9.118 21.614 -10.933) 25.881 15.200 ( 20.212 -4.611 13.384) 24.676 17.763 ( 1.813 -18.981 -1.712) 19.145 18.317 ( -4.914 11.643 -13.195) 18.271 19.232 ( 7.075 0.407 13.536) 15.279 20.838 ( 13.297 25.698 -31.203) 42.554 22.378 ( -8.376 -6.740 -5.444) 12.051 27.558 ( 1.703 12.662 44.514) 46.311 28.982 ( -9.384 10.458 15.745) 21.103 30.166 ( 6.694 -23.148 -10.155) 26.149 30.996 ( -9.046 -17.912 17.837) 26.848 31.754 ( -0.792 4.283 -3.416) 5.536 32.074 ( -2.376 15.672 -4.500) 16.478 32.893 ( -28.635 30.344 -9.771) 42.851 34.177 ( -18.155 6.382 10.916) 22.124 35.447 ( 34.138 17.696 -12.245) 40.354 37.458 ( -31.983 -2.406 -12.963) 34.594 38.158 ( -14.304 -19.380 7.626) 25.265 39.358 ( 1.980 -26.726 3.241) 26.994 41.291 ( 13.826 -3.886 -1.283) 14.419 41.481 ( 14.450 5.994 5.559) 16.602 42.851 ( 17.733 5.537 -4.349) 19.079 43.580 ( -2.583 -7.186 -2.482) 8.029======================= Grid point 124 (46/180) =======================q-point: ( 0.27 0.22 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.576 ( 26.407 3.809 6.093) 27.367 3.308 ( 28.817 13.427 7.607) 32.689 5.039 ( 9.185 -4.239 2.259) 10.366 5.315 ( 14.639 1.690 9.918) 17.763 5.352 ( -7.154 -6.369 -10.626) 14.306 6.110 ( 5.274 2.007 -5.452) 7.847 6.427 ( 2.684 6.292 -9.359) 11.592 7.033 ( 7.627 9.422 3.086) 12.509 7.769 ( -3.781 -3.685 -9.622) 10.976 8.350 ( -0.761 -2.106 8.188) 8.489 8.649 ( -4.612 2.130 18.984) 19.652 9.617 ( -7.896 -3.899 -1.761) 8.981 14.444 ( -0.860 16.778 -8.034) 18.622 14.782 ( 26.323 18.748 -6.946) 33.055 15.344 ( -6.465 1.195 13.653) 15.154 17.983 ( -0.507 1.658 3.936) 4.301 18.082 ( 3.243 -12.225 -10.796) 16.628 19.468 ( 11.979 -7.298 8.545) 16.425 21.098 ( 12.426 22.088 -23.699) 34.698 22.187 ( -10.038 -2.914 -6.171) 12.138 27.630 ( 5.489 16.351 36.963) 40.790 28.768 ( -11.531 10.997 17.625) 23.760 30.286 ( 4.848 -20.337 -6.682) 21.949 30.841 ( -6.047 -18.758 19.015) 27.386 31.736 ( -0.668 5.116 -4.517) 6.857 32.021 ( -3.342 23.074 -6.345) 24.163 32.509 ( -8.143 12.943 -0.722) 15.308 33.859 ( -14.908 -0.422 3.301) 15.275 36.205 ( 37.116 15.048 -13.433) 42.243 36.890 ( -21.119 -0.853 -13.287) 24.966 37.646 ( -29.775 -12.204 10.223) 33.764 39.325 ( -8.124 -11.942 -2.276) 14.622 41.570 ( 15.586 -13.615 2.800) 20.884 41.852 ( 17.590 -1.221 3.172) 17.915 43.125 ( 9.787 5.877 -3.884) 12.058 43.517 ( -3.430 -5.052 -2.041) 6.438======================= Grid point 125 (47/180) =======================q-point: ( 0.36 0.22 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.157 ( 29.523 -10.577 0.844) 31.372 3.856 ( 23.756 3.506 5.330) 24.598 4.879 ( -14.313 -12.963 -4.988) 19.944 5.200 ( -9.250 -6.082 -1.723) 11.203 5.728 ( 16.380 -4.832 -2.714) 17.292 6.095 ( -3.951 -3.791 -14.850) 15.828 6.665 ( 18.792 18.639 2.166) 26.556 7.231 ( 11.854 8.302 4.761) 15.235 7.653 ( -8.228 -1.435 -11.871) 14.515 8.192 ( -13.186 -5.549 11.414) 18.302 8.696 ( 7.894 10.163 16.565) 20.976 9.422 ( -11.169 -2.056 1.941) 11.522 14.382 ( -0.509 14.681 -4.124) 15.258 15.065 ( -17.619 5.389 10.939) 21.428 15.477 ( 36.723 20.221 -6.580) 42.435 17.530 ( -27.485 24.401 -5.099) 37.106 18.594 ( 28.521 -33.868 1.749) 44.312 19.615 ( 1.195 -15.263 7.221) 16.927 21.346 ( 11.908 19.091 -18.363) 29.043 21.982 ( -9.901 2.943 -7.573) 12.808 27.780 ( 9.134 16.815 30.100) 35.668 28.518 ( -12.927 12.304 19.584) 26.495 30.372 ( 4.161 -17.259 -0.653) 17.765 30.732 ( -5.359 -19.012 15.626) 25.187 31.737 ( 0.885 7.447 -4.973) 8.998 31.931 ( -4.931 23.385 -2.869) 24.071 32.539 ( 9.329 -0.890 -2.579) 9.719 33.541 ( -16.574 -4.796 -0.442) 17.260 36.427 ( -8.896 -4.869 -6.257) 11.916 37.000 ( -9.199 -4.899 0.901) 10.461 37.180 ( 19.858 12.469 -7.990) 24.772 39.030 ( -20.050 1.520 -6.429) 21.110 41.892 ( 14.855 -18.499 4.254) 24.103 42.134 ( 9.620 -7.559 3.602) 12.754 43.270 ( 4.923 5.272 -3.452) 7.997 43.448 ( -3.226 -1.835 -2.096) 4.262======================= Grid point 126 (48/180) =======================q-point: ( 0.45 0.22 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.734 ( 26.136 -18.523 -1.374) 32.063 4.117 ( -5.287 -16.102 2.247) 17.096 4.696 ( 3.931 -0.963 -4.338) 5.933 4.950 ( -14.759 -2.278 0.607) 14.946 5.942 ( 5.978 -7.666 -10.281) 14.149 6.023 ( -3.060 -5.666 -14.102) 15.503 7.077 ( 19.631 14.506 -4.315) 24.788 7.423 ( -14.197 5.284 -11.144) 18.806 7.521 ( 16.431 3.974 11.470) 20.429 7.874 ( -17.338 0.574 14.493) 22.605 8.910 ( 12.339 6.173 11.344) 17.861 9.172 ( -13.021 1.468 6.426) 14.595 14.461 ( 8.394 10.750 1.386) 13.709 14.712 ( -15.742 7.694 6.675) 18.750 16.221 ( 35.860 22.704 -6.315) 42.910 16.918 ( -32.455 24.162 -5.701) 40.862 19.131 ( 23.126 -29.704 4.021) 37.859 19.499 ( -12.408 -23.287 5.790) 27.014 21.578 ( 10.774 15.062 -13.742) 23.060 21.784 ( -9.737 9.525 -10.044) 16.924 27.995 ( 11.807 15.679 25.054) 31.827 28.251 ( -13.117 14.001 21.790) 29.033 30.474 ( 6.019 -16.572 5.391) 18.437 30.608 ( -6.731 -17.727 10.678) 21.761 31.773 ( 2.609 11.632 -3.573) 12.445 31.840 ( -3.906 17.221 -1.980) 17.769 32.819 ( 16.904 -5.955 -3.832) 18.328 33.185 ( -18.273 -7.007 -2.906) 19.785 36.365 ( 3.979 -5.324 -1.152) 6.746 36.587 ( -17.283 -7.358 4.444) 19.302 37.889 ( 34.867 14.261 -12.831) 39.796 38.535 ( -28.337 9.288 -9.841) 31.402 42.139 ( 8.822 -17.774 4.640) 20.379 42.232 ( -0.041 -13.647 4.376) 14.332 43.342 ( 2.606 3.954 -3.099) 5.659 43.390 ( -2.432 1.631 -2.549) 3.882======================= Grid point 132 (49/180) =======================q-point: ( 0.00 0.33 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.741 ( 0.000 32.246 13.484) 34.952 2.927 ( 0.000 32.127 14.910) 35.418 4.357 ( 0.000 40.979 7.777) 41.710 5.031 ( 0.000 -25.308 -7.304) 26.341 5.047 ( 0.000 -4.402 19.119) 19.619 6.339 ( 0.000 1.176 -16.409) 16.451 6.416 ( 0.000 27.383 -0.777) 27.394 6.893 ( 0.000 -2.063 5.241) 5.633 7.619 ( 0.000 -13.261 0.314) 13.264 8.253 ( 0.000 -15.566 -2.298) 15.734 8.777 ( 0.000 4.850 13.830) 14.655 9.667 ( 0.000 -10.427 -5.923) 11.992 13.711 ( 0.000 5.422 6.237) 8.264 13.916 ( 0.000 1.759 3.734) 4.128 16.077 ( 0.000 40.360 -13.634) 42.601 17.735 ( 0.000 -11.955 -33.658) 35.719 18.178 ( 0.000 5.594 11.232) 12.548 19.092 ( 0.000 -18.303 30.002) 35.145 21.116 ( 0.000 27.934 -28.774) 40.103 22.329 ( 0.000 -13.341 -6.065) 14.655 27.846 ( 0.000 21.860 28.879) 36.220 29.457 ( 0.000 -26.148 -7.024) 27.075 29.489 ( 0.000 16.450 14.553) 21.964 30.829 ( 0.000 -23.193 15.706) 28.010 31.900 ( 0.000 9.045 -2.312) 9.335 32.292 ( 0.000 3.712 -1.553) 4.024 34.223 ( 0.000 22.043 -29.600) 36.906 34.867 ( 0.000 8.013 -16.266) 18.133 35.822 ( 0.000 -4.946 19.779) 20.388 36.468 ( 0.000 -16.906 21.041) 26.991 38.544 ( 0.000 4.823 -8.947) 10.164 39.188 ( 0.000 -17.080 -16.590) 23.811 40.918 ( 0.000 6.332 13.126) 14.573 41.519 ( 0.000 -11.280 9.501) 14.748 42.347 ( 0.000 22.157 -4.430) 22.596 43.418 ( 0.000 -12.180 -3.727) 12.738======================= Grid point 133 (50/180) =======================q-point: ( 0.09 0.33 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.853 ( -4.841 34.697 14.365) 37.864 2.873 ( 11.357 30.477 11.416) 34.470 4.497 ( 12.062 25.075 5.622) 28.387 4.979 ( -0.867 -16.475 4.628) 17.135 5.182 ( 8.027 -7.863 4.748) 12.199 6.279 ( -1.889 17.722 -4.875) 18.477 6.453 ( -0.521 4.419 -8.493) 9.588 6.941 ( 5.182 4.884 4.531) 8.440 7.648 ( 2.423 -11.662 -2.432) 12.157 8.239 ( -1.250 -15.917 -1.251) 16.015 8.771 ( -0.428 6.289 13.926) 15.286 9.651 ( -1.632 -10.300 -5.140) 11.627 13.820 ( 14.323 7.742 -1.072) 16.317 14.304 ( 31.253 -2.215 9.220) 32.660 15.846 ( -19.037 33.903 -15.507) 41.860 17.711 ( -10.364 -7.144 -7.829) 14.824 18.219 ( 10.908 -0.172 -6.372) 12.634 19.152 ( 4.023 -9.339 25.567) 27.515 21.158 ( 4.102 24.402 -28.137) 37.470 22.296 ( -3.047 -12.242 -5.899) 13.927 27.868 ( 2.115 21.918 28.412) 35.946 29.368 ( -5.977 2.195 10.053) 11.900 29.571 ( 5.271 -11.794 -1.114) 12.966 30.757 ( -6.605 -22.297 16.439) 28.479 31.890 ( -0.880 8.287 -2.510) 8.704 32.283 ( -0.741 3.767 -1.933) 4.298 33.948 ( -22.496 15.439 -26.307) 37.902 35.030 ( -41.918 4.073 24.280) 48.613 35.204 ( 25.260 19.316 -19.948) 37.538 37.230 ( 41.349 -26.365 14.422) 51.116 38.105 ( -33.843 -0.429 -16.435) 37.625 39.103 ( -12.835 -13.920 2.827) 19.144 41.007 ( 10.459 3.175 2.815) 11.287 41.545 ( 1.986 1.070 9.526) 9.790 42.568 ( 18.016 11.717 -3.904) 21.843 43.417 ( -0.105 -11.264 -3.521) 11.802======================= Grid point 134 (51/180) =======================q-point: ( 0.18 0.33 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.764 ( -1.661 32.891 12.519) 35.232 3.204 ( 19.300 23.299 7.289) 31.120 4.739 ( 8.092 -5.233 0.827) 9.672 5.000 ( 3.707 -14.459 3.523) 15.337 5.321 ( 4.974 2.125 -2.063) 5.789 6.309 ( 0.229 22.479 2.034) 22.572 6.395 ( 1.371 -5.091 -3.398) 6.272 7.089 ( 8.338 11.494 0.239) 14.202 7.695 ( 1.666 -7.810 -8.553) 11.702 8.208 ( -1.826 -16.276 2.378) 16.550 8.771 ( 0.705 9.321 14.230) 17.025 9.598 ( -3.654 -9.467 -2.898) 10.553 14.280 ( 28.885 10.703 -6.181) 31.418 14.955 ( 25.336 0.107 7.181) 26.334 15.467 ( -13.528 23.557 -10.428) 29.098 17.417 ( -12.144 -14.325 8.494) 20.612 18.476 ( 7.592 4.285 -13.149) 15.777 19.224 ( 4.023 -0.993 19.377) 19.815 21.278 ( 7.527 17.581 -26.249) 32.477 22.214 ( -4.778 -8.940 -5.611) 11.586 27.931 ( 4.114 22.053 26.936) 35.054 29.222 ( -8.350 10.277 16.870) 21.446 29.696 ( 6.975 -19.416 -4.566) 21.130 30.591 ( -8.798 -21.007 17.712) 28.851 31.867 ( -1.325 6.821 -3.570) 7.812 32.271 ( -0.006 3.796 -2.467) 4.527 33.398 ( -29.173 18.238 -17.010) 38.380 34.333 ( -26.123 7.603 16.140) 31.635 35.845 ( 34.806 20.083 -19.863) 44.826 37.393 ( -32.870 -3.702 -18.737) 38.016 37.738 ( 1.614 -20.602 9.007) 22.543 38.860 ( -1.973 -19.379 15.056) 24.619 41.250 ( 9.937 -0.861 -4.931) 11.127 41.636 ( 8.319 7.564 10.708) 15.527 42.933 ( 15.928 3.454 -4.211) 16.833 43.415 ( -0.090 -8.500 -3.001) 9.015======================= Grid point 135 (52/180) =======================q-point: ( 0.27 0.33 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.818 ( 7.168 18.916 9.853) 22.501 3.605 ( 18.655 13.579 4.233) 23.459 4.736 ( -6.260 -18.910 1.614) 19.984 5.119 ( 4.386 -14.825 -8.998) 17.888 5.416 ( 6.214 5.816 -1.322) 8.613 6.169 ( -8.600 -3.458 -5.226) 10.641 6.656 ( 18.316 19.735 9.163) 28.441 7.246 ( 6.735 10.595 -3.467) 13.024 7.703 ( -0.975 -3.844 -13.576) 14.143 8.158 ( -3.212 -13.190 7.601) 15.559 8.809 ( 3.163 10.777 14.444) 18.297 9.502 ( -5.802 -7.258 0.534) 9.307 14.761 ( 5.049 12.683 -10.116) 16.991 15.205 ( 21.233 19.908 -8.775) 30.400 15.438 ( -0.962 8.151 12.539) 14.986 17.425 ( 15.146 -26.990 9.004) 32.233 18.410 ( -13.055 14.890 -7.899) 21.319 19.325 ( 3.922 -6.071 13.096) 14.958 21.453 ( 9.382 12.740 -23.036) 27.946 22.115 ( -4.626 -3.839 -5.742) 8.313 28.035 ( 6.125 21.952 24.572) 33.514 29.032 ( -10.142 13.804 20.097) 26.406 29.842 ( 7.053 -21.356 -3.794) 22.808 30.428 ( -6.888 -20.796 18.010) 28.360 31.847 ( -0.258 5.707 -6.031) 8.307 32.302 ( 3.484 3.902 -2.307) 5.717 32.860 ( -22.671 19.590 -9.272) 31.364 33.879 ( -20.370 1.832 7.400) 21.750 36.463 ( 12.756 7.557 -12.367) 19.307 36.926 ( -1.117 5.957 -21.458) 22.298 37.415 ( -23.415 -9.404 10.711) 27.412 38.990 ( 6.881 -18.663 6.988) 21.083 41.410 ( 7.774 -3.183 -0.558) 8.419 41.843 ( 9.703 0.276 8.479) 12.888 43.188 ( 9.186 0.790 -4.717) 10.357 43.416 ( 0.227 -4.260 -2.290) 4.842======================= Grid point 136 (53/180) =======================q-point: ( 0.36 0.33 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.044 ( 14.532 0.869 7.464) 16.360 3.869 ( 3.972 -5.842 5.058) 8.688 4.617 ( -1.491 -7.507 -2.584) 8.079 5.109 ( -4.687 -4.503 -10.040) 11.960 5.587 ( 9.332 -5.784 -2.602) 11.284 6.011 ( -6.726 -5.821 -7.376) 11.556 7.039 ( 17.458 16.626 1.936) 24.185 7.365 ( 5.178 4.903 -3.331) 7.871 7.662 ( -2.294 1.201 -13.303) 13.553 8.069 ( -5.829 -5.691 12.771) 15.148 8.900 ( 5.673 9.336 13.777) 17.582 9.365 ( -7.547 -3.561 4.642) 9.550 14.686 ( -3.792 13.475 -6.717) 15.527 15.211 ( -15.786 7.960 13.044) 21.971 15.917 ( 38.653 21.469 -9.574) 45.240 17.877 ( 11.017 -19.054 1.693) 22.075 18.063 ( -5.958 10.068 0.698) 11.720 19.303 ( -7.044 -14.252 10.819) 19.230 21.647 ( 9.327 10.284 -18.432) 23.076 22.029 ( -3.976 1.554 -6.944) 8.151 28.181 ( 8.224 21.173 22.105) 31.695 28.814 ( -11.171 15.877 20.761) 28.423 29.975 ( 5.986 -20.417 0.311) 21.278 30.310 ( -5.078 -21.121 16.084) 27.029 31.873 ( 3.224 5.756 -8.620) 10.855 32.399 ( -0.540 16.466 -6.546) 17.727 32.508 ( -5.612 1.676 -1.568) 6.063 33.471 ( -19.990 -2.084 3.125) 20.340 36.318 ( -9.579 -5.277 -7.375) 13.191 36.827 ( -22.023 -8.266 10.410) 25.724 37.536 ( 32.813 18.065 -19.604) 42.278 38.990 ( -7.431 -5.520 -2.417) 9.567 41.601 ( 10.693 -9.230 4.302) 14.766 41.976 ( 2.891 -7.369 7.799) 11.112 43.321 ( 4.442 0.117 -4.810) 6.548 43.422 ( 0.265 -0.353 -1.835) 1.887======================= Grid point 137 (54/180) =======================q-point: ( 0.45 0.33 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.381 ( 17.815 -13.806 6.197) 23.375 3.728 ( -14.804 -20.123 6.099) 25.715 4.737 ( 10.701 4.919 -5.671) 13.072 4.957 ( -9.810 2.287 -6.876) 12.195 5.759 ( 7.342 -9.267 -6.201) 13.350 5.889 ( -5.726 -7.860 -7.994) 12.588 7.304 ( 8.535 7.233 -15.797) 19.357 7.417 ( -2.109 -1.132 -13.187) 13.402 7.702 ( 8.280 8.632 8.886) 14.900 7.910 ( -9.857 2.730 16.162) 19.127 9.037 ( 7.652 5.742 11.801) 15.192 9.201 ( -8.314 1.080 8.638) 12.037 14.697 ( 5.236 11.025 0.386) 12.211 14.894 ( -13.653 9.059 7.416) 17.986 16.695 ( 37.061 22.028 -8.909) 44.024 17.402 ( -32.001 20.959 -7.987) 39.079 18.554 ( 27.420 -24.900 9.920) 38.344 19.034 ( -19.001 -20.876 10.160) 30.001 21.819 ( 7.342 8.343 -13.541) 17.517 21.942 ( -4.918 5.657 -9.564) 12.151 28.368 ( 10.082 19.658 20.581) 30.194 28.585 ( -11.176 17.769 20.382) 29.259 30.092 ( 5.694 -19.748 6.223) 21.474 30.206 ( -5.390 -20.484 11.815) 24.254 31.985 ( 7.712 8.237 -9.261) 14.598 32.180 ( -11.371 13.907 -8.523) 19.883 32.712 ( 15.516 -3.548 0.827) 15.937 33.070 ( -19.146 -3.662 1.292) 19.536 36.248 ( 3.056 -5.545 -0.861) 6.389 36.436 ( -14.990 -6.771 6.116) 17.548 38.189 ( 29.542 13.881 -15.680) 36.212 38.702 ( -20.286 6.124 -9.891) 23.385 41.814 ( 9.457 -12.823 6.830) 17.335 41.959 ( -4.332 -12.044 7.665) 14.919 43.387 ( 2.279 0.734 -3.835) 4.521 43.418 ( -0.828 1.080 -2.491) 2.839======================= Grid point 143 (55/180) =======================q-point: ( 0.00 0.44 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.323 ( 0.000 21.516 8.744) 23.225 3.434 ( 0.000 13.222 11.042) 17.226 4.550 ( 0.000 -8.127 2.377) 8.468 4.581 ( 0.000 -14.877 -1.871) 14.994 5.493 ( 0.000 35.143 12.076) 37.160 6.108 ( 0.000 -22.526 -2.610) 22.677 7.020 ( 0.000 12.791 2.100) 12.962 7.035 ( 0.000 32.166 -0.140) 32.166 7.323 ( 0.000 -15.231 -0.525) 15.240 7.708 ( 0.000 -31.815 0.019) 31.815 9.055 ( 0.000 16.859 2.627) 17.063 9.396 ( 0.000 -15.406 -3.114) 15.718 13.832 ( 0.000 5.483 3.517) 6.514 13.914 ( 0.000 -2.120 2.976) 3.654 16.853 ( 0.000 33.210 -22.561) 40.149 17.409 ( 0.000 -20.639 -31.247) 37.447 18.361 ( 0.000 12.542 19.945) 23.560 18.694 ( 0.000 -18.958 28.091) 33.889 21.618 ( 0.000 21.391 -15.406) 26.362 22.014 ( 0.000 -17.161 -8.947) 19.354 28.359 ( 0.000 26.505 12.886) 29.471 28.911 ( 0.000 -26.707 1.344) 26.740 29.878 ( 0.000 20.984 15.430) 26.047 30.341 ( 0.000 -23.517 16.195) 28.554 32.108 ( 0.000 10.236 -1.637) 10.366 32.277 ( 0.000 -5.051 -1.537) 5.280 34.613 ( 0.000 15.964 -22.541) 27.621 34.869 ( 0.000 -7.694 -21.752) 23.073 35.871 ( 0.000 9.465 21.784) 23.751 36.140 ( 0.000 -15.064 18.580) 23.919 38.674 ( 0.000 7.972 -11.824) 14.261 38.883 ( 0.000 -12.388 -14.637) 19.175 41.076 ( 0.000 8.970 12.339) 15.255 41.284 ( 0.000 -11.032 10.871) 15.489 42.771 ( 0.000 19.001 -3.967) 19.411 43.130 ( 0.000 -15.722 -3.822) 16.180======================= Grid point 144 (56/180) =======================q-point: ( 0.09 0.44 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.387 ( 4.922 17.372 7.455) 19.534 3.463 ( 2.935 19.742 10.548) 22.575 4.487 ( -3.297 -12.221 -0.836) 12.685 4.621 ( 1.821 -12.575 1.867) 12.843 5.509 ( 1.199 24.316 5.427) 24.943 6.134 ( 1.969 -17.449 2.577) 17.747 6.901 ( -3.576 26.415 0.814) 26.668 7.196 ( 8.122 17.669 -1.255) 19.487 7.370 ( 4.275 -15.185 -0.951) 15.804 7.732 ( 2.440 -27.758 0.630) 27.872 9.047 ( -0.690 15.992 2.951) 16.277 9.388 ( -0.801 -14.633 -2.048) 14.797 13.954 ( 16.165 4.158 -3.755) 17.108 14.272 ( 28.748 -1.087 9.681) 30.353 16.409 ( -29.216 16.959 -27.969) 43.857 17.577 ( -6.447 -4.806 1.394) 8.161 18.222 ( 6.490 0.323 -0.052) 6.498 18.971 ( 15.540 -6.055 23.107) 28.497 21.593 ( -1.948 17.197 -17.808) 24.833 22.020 ( 0.505 -13.570 -7.441) 15.484 28.365 ( 0.750 24.200 11.966) 27.007 28.960 ( 4.602 -24.033 4.307) 24.846 29.832 ( -4.371 20.125 15.142) 25.562 30.285 ( -5.249 -22.833 16.382) 28.588 32.082 ( -2.483 9.022 -2.501) 9.686 32.270 ( -0.565 -4.369 -0.947) 4.506 34.161 ( -25.974 5.282 -22.125) 34.526 35.043 ( -21.944 -0.366 17.522) 28.084 35.576 ( 19.878 12.235 -24.136) 33.577 36.803 ( 35.708 -13.052 21.493) 43.674 38.095 ( -38.129 -0.354 -22.292) 44.169 38.908 ( -11.299 -4.790 7.882) 14.585 41.065 ( 5.599 1.880 -0.628) 5.939 41.525 ( 14.224 -1.502 14.403) 20.299 42.844 ( 6.789 13.831 -4.891) 16.165 43.162 ( 3.088 -12.982 -3.136) 13.708======================= Grid point 145 (57/180) =======================q-point: ( 0.18 0.44 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.398 ( -3.608 24.880 9.680) 26.940 3.603 ( 8.901 11.357 5.700) 15.515 4.439 ( -1.500 -15.012 -2.403) 15.277 4.672 ( 4.324 -12.749 1.207) 13.516 5.529 ( 0.787 10.398 -3.811) 11.103 6.139 ( -2.617 -10.567 6.922) 12.901 6.924 ( 6.337 28.685 2.522) 29.484 7.339 ( 5.631 8.994 -6.854) 12.632 7.468 ( 4.678 -13.961 -1.495) 14.800 7.809 ( 4.952 -17.310 2.675) 18.202 9.033 ( -0.473 13.429 4.192) 14.075 9.365 ( -1.418 -12.199 1.019) 12.323 14.451 ( 30.046 4.838 -8.804) 31.681 14.947 ( 33.894 -0.349 13.481) 36.478 15.867 ( -21.752 11.834 -26.991) 36.629 17.191 ( -21.548 -6.492 22.816) 32.048 18.523 ( 13.473 0.872 -13.019) 18.756 19.201 ( 6.563 -0.881 19.197) 20.307 21.571 ( 0.597 9.738 -21.698) 23.791 22.031 ( 0.597 -7.289 -5.242) 8.998 28.397 ( 2.564 20.174 10.802) 23.027 29.081 ( 6.664 -17.879 12.113) 22.601 29.711 ( -7.082 16.287 12.566) 21.756 30.150 ( -7.304 -20.785 16.306) 27.409 32.018 ( -3.487 6.432 -4.913) 8.813 32.262 ( 0.120 -3.114 0.667) 3.187 33.650 ( -24.212 6.199 -20.042) 32.036 34.449 ( -28.952 3.058 17.425) 33.929 36.212 ( 33.365 12.489 -28.154) 45.408 37.313 ( -12.102 -5.060 -2.032) 13.274 37.379 ( -7.822 -9.634 -7.029) 14.262 38.595 ( -10.557 -6.323 23.367) 26.409 41.241 ( 8.835 -0.153 -7.339) 11.486 41.752 ( 7.945 3.061 14.298) 16.641 43.014 ( 8.966 3.985 -6.932) 12.013 43.250 ( 5.308 -6.344 -1.423) 8.394======================= Grid point 146 (58/180) =======================q-point: ( 0.27 0.44 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.292 ( -5.714 24.823 9.656) 27.241 3.707 ( -0.891 -9.138 6.791) 11.420 4.459 ( 5.191 -3.043 -5.963) 8.472 4.808 ( 8.236 -12.730 -3.707) 15.609 5.543 ( 0.589 5.159 -6.053) 7.975 6.030 ( -7.295 -6.319 4.069) 10.474 7.123 ( 11.497 22.457 3.328) 25.447 7.417 ( 2.051 2.866 -13.655) 14.103 7.551 ( 3.820 -10.701 -0.790) 11.390 7.917 ( 5.018 -7.423 6.101) 10.840 9.035 ( 0.753 9.760 6.564) 11.786 9.330 ( -2.067 -8.374 5.220) 10.082 14.940 ( 8.232 4.383 -10.728) 14.215 15.455 ( 12.030 4.645 13.103) 18.385 15.699 ( 11.797 12.309 -20.167) 26.409 16.969 ( 5.584 -14.526 22.394) 27.271 18.620 ( -4.556 5.201 -10.670) 12.714 19.235 ( -3.274 -2.338 16.866) 17.339 21.636 ( 5.758 4.831 -22.033) 23.279 22.044 ( 0.574 -2.432 -4.747) 5.364 28.472 ( 4.754 17.135 10.927) 20.871 29.188 ( 2.108 -5.051 25.394) 25.977 29.582 ( -3.863 3.623 2.948) 6.061 30.012 ( -5.951 -17.626 15.620) 24.291 31.958 ( -1.856 4.041 -8.564) 9.649 32.292 ( 3.256 -2.256 3.027) 4.985 33.181 ( -21.833 9.107 -18.384) 29.960 33.909 ( -24.507 0.728 11.979) 27.287 36.517 ( -12.764 -0.084 -13.298) 18.433 37.102 ( -0.235 7.533 -5.680) 9.437 37.275 ( 4.464 -3.989 -13.969) 15.198 38.662 ( 11.880 -10.174 19.750) 25.193 41.384 ( 5.625 -0.230 -5.147) 7.628 41.856 ( 2.447 0.589 13.588) 13.819 43.182 ( 7.285 -0.641 -7.693) 10.615 43.357 ( 4.599 -1.392 -0.409) 4.823======================= Grid point 147 (59/180) =======================q-point: ( 0.36 0.44 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.205 ( -2.099 14.156 9.435) 17.140 3.574 ( -10.196 -19.327 8.513) 23.452 4.647 ( 11.536 6.952 -9.208) 16.315 4.960 ( 5.517 -8.723 -8.762) 13.539 5.558 ( 1.225 1.896 -3.555) 4.211 5.872 ( -7.763 -5.814 0.659) 9.721 7.317 ( 6.263 9.391 -7.541) 13.575 7.430 ( -0.532 0.819 -19.378) 19.402 7.657 ( 7.355 -1.572 7.425) 10.568 7.987 ( 1.423 -1.869 10.132) 10.401 9.067 ( 2.432 6.127 9.261) 11.367 9.279 ( -2.975 -4.108 8.974) 10.309 14.889 ( -4.810 5.365 -8.292) 10.985 15.347 ( -15.065 4.045 13.694) 20.757 16.311 ( 38.082 14.014 -17.501) 44.191 17.389 ( 28.693 -17.221 18.787) 38.377 18.371 ( -18.160 10.150 -9.981) 23.074 19.061 ( -13.867 -7.769 16.245) 22.728 21.782 ( 7.890 3.128 -18.138) 20.026 22.048 ( -0.351 0.402 -6.185) 6.208 28.589 ( 6.736 15.126 12.599) 20.806 29.116 ( -7.986 10.090 27.980) 30.797 29.605 ( 4.931 -11.486 1.460) 12.585 29.909 ( -4.445 -15.204 14.261) 21.315 31.965 ( 3.130 2.735 -12.555) 13.225 32.401 ( 6.926 -2.574 5.026) 8.936 32.773 ( -17.486 9.565 -17.350) 26.425 33.441 ( -21.644 -0.939 8.902) 23.422 36.233 ( -9.877 -2.401 -8.119) 13.009 36.702 ( -21.898 -3.355 13.361) 25.871 37.847 ( 31.511 9.816 -28.689) 43.730 38.847 ( 3.706 -5.899 6.387) 9.451 41.498 ( 6.103 -1.691 0.885) 6.394 41.856 ( -2.291 -3.489 12.734) 13.401 43.308 ( 5.123 -0.650 -6.373) 8.203 43.423 ( 1.829 0.106 -0.902) 2.043======================= Grid point 148 (60/180) =======================q-point: ( 0.45 0.44 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.223 ( 4.019 -0.556 9.267) 10.116 3.364 ( -9.377 -13.474 9.025) 18.733 4.868 ( 9.279 6.295 -10.555) 15.399 4.994 ( -2.511 -0.056 -11.066) 11.347 5.612 ( 4.277 -3.577 -1.515) 5.778 5.725 ( -6.571 -6.323 -1.103) 9.186 7.385 ( 1.529 1.158 -18.479) 18.578 7.410 ( -1.143 0.384 -21.663) 21.696 7.830 ( 8.400 3.384 13.842) 16.541 7.962 ( -4.047 1.596 13.321) 14.013 9.131 ( 3.702 2.956 11.023) 11.998 9.209 ( -3.794 -0.280 11.033) 11.671 14.870 ( 3.698 4.780 -0.547) 6.068 15.042 ( -12.807 4.250 7.536) 15.455 17.076 ( 35.766 12.703 -15.032) 40.823 17.685 ( -17.457 3.986 -6.215) 18.954 18.198 ( 17.875 -6.578 11.423) 22.209 18.682 ( -22.911 -11.388 16.681) 30.543 21.929 ( 6.038 2.526 -13.181) 14.716 22.019 ( -2.807 1.816 -9.073) 9.669 28.744 ( 8.460 13.699 15.938) 22.655 28.929 ( -9.569 12.654 21.137) 26.428 29.719 ( 5.541 -13.345 7.806) 16.423 29.820 ( -4.495 -13.943 11.852) 18.844 32.098 ( 9.893 2.691 -15.145) 18.288 32.349 ( -13.472 2.652 -13.371) 19.165 32.703 ( 12.192 1.740 3.079) 12.694 33.030 ( -18.662 -0.695 7.167) 20.002 36.159 ( 2.640 -2.476 -0.547) 3.660 36.331 ( -13.848 -2.875 7.353) 15.940 38.417 ( 23.505 6.744 -19.847) 31.494 38.773 ( -10.992 1.082 -7.927) 13.595 41.635 ( 7.143 -4.245 7.141) 10.956 41.771 ( -5.772 -5.232 11.006) 13.485 43.391 ( 3.067 -0.014 -4.278) 5.263 43.432 ( -0.868 0.279 -2.314) 2.487======================= Grid point 198 (61/180) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( 0.000 0.000 42.281) 42.281 1.945 ( 0.000 0.000 44.485) 44.485 3.127 ( 0.000 0.000 65.282) 65.282 5.479 ( 0.000 0.000 4.038) 4.038 5.582 ( 0.000 0.000 -28.467) 28.467 5.837 ( 0.000 0.000 21.856) 21.856 5.986 ( 0.000 0.000 -16.332) 16.332 6.235 ( 0.000 0.000 -20.196) 20.196 8.381 ( 0.000 0.000 -9.297) 9.297 8.678 ( 0.000 0.000 29.243) 29.243 9.576 ( 0.000 0.000 10.024) 10.024 9.618 ( 0.000 0.000 -14.430) 14.430 13.952 ( 0.000 0.000 13.172) 13.172 14.219 ( 0.000 0.000 -8.921) 8.921 15.069 ( 0.000 0.000 -17.135) 17.135 16.538 ( 0.000 0.000 20.010) 20.010 17.369 ( 0.000 0.000 -35.548) 35.548 18.189 ( 0.000 0.000 2.625) 2.625 20.258 ( 0.000 0.000 27.720) 27.720 22.618 ( 0.000 0.000 -9.259) 9.259 29.193 ( 0.000 0.000 16.088) 16.088 30.205 ( 0.000 0.000 2.195) 2.195 30.296 ( 0.000 0.000 -15.950) 15.950 30.496 ( 0.000 0.000 -6.404) 6.404 31.186 ( 0.000 0.000 -18.541) 18.541 31.640 ( 0.000 0.000 -5.585) 5.585 32.474 ( 0.000 0.000 26.042) 26.042 34.271 ( 0.000 0.000 -0.009) 0.009 36.477 ( 0.000 0.000 14.863) 14.863 38.268 ( 0.000 0.000 -8.729) 8.729 39.406 ( 0.000 0.000 1.289) 1.289 39.513 ( 0.000 0.000 -0.155) 0.155 40.520 ( 0.000 0.000 -1.509) 1.509 40.624 ( 0.000 0.000 -2.126) 2.126 42.156 ( 0.000 0.000 12.879) 12.879 43.699 ( 0.000 0.000 -6.802) 6.802======================= Grid point 199 (62/180) =======================q-point: ( 0.09 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( 2.419 0.000 41.780) 41.850 2.085 ( 22.777 0.000 36.322) 42.873 3.524 ( 33.783 0.000 54.905) 64.466 5.503 ( 1.702 0.000 2.689) 3.182 5.577 ( -0.539 0.000 -28.110) 28.115 5.719 ( -6.581 0.000 5.506) 8.581 6.142 ( 10.080 0.000 -1.416) 10.179 6.224 ( -0.466 0.000 -18.545) 18.551 8.260 ( -8.499 0.000 -3.904) 9.353 8.648 ( -2.638 0.000 28.011) 28.135 9.524 ( -5.452 0.000 10.626) 11.943 9.628 ( 0.774 0.000 -12.978) 13.001 13.698 ( -6.220 0.000 7.150) 9.477 14.128 ( -7.796 0.000 -9.358) 12.180 16.097 ( 69.919 0.000 -33.066) 77.344 16.418 ( -10.690 0.000 17.521) 20.524 17.636 ( 23.844 0.000 -30.207) 38.484 18.165 ( -1.194 0.000 1.880) 2.227 20.274 ( 1.543 0.000 26.249) 26.294 22.554 ( -6.275 0.000 -9.424) 11.322 29.046 ( -16.914 0.000 16.167) 23.398 29.542 ( -24.437 0.000 22.882) 33.477 30.556 ( 5.790 0.000 -5.821) 8.211 30.953 ( 26.332 0.000 -16.315) 30.977 31.252 ( 6.334 0.000 -18.206) 19.276 31.641 ( 0.336 0.000 -5.287) 5.298 32.374 ( -10.141 0.000 28.186) 29.954 34.225 ( -4.439 0.000 -0.301) 4.449 35.588 ( -51.014 0.000 31.519) 59.966 37.932 ( -28.032 0.000 -10.140) 29.810 39.277 ( -15.079 0.000 5.085) 15.913 40.035 ( 10.336 0.000 -12.875) 16.510 40.753 ( 21.572 0.000 -3.008) 21.780 40.807 ( 31.552 0.000 -8.141) 32.586 42.266 ( 9.716 0.000 11.713) 15.218 43.710 ( 0.449 0.000 -6.451) 6.466======================= Grid point 200 (63/180) =======================q-point: ( 0.18 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( 19.194 0.000 24.306) 30.971 2.675 ( 33.319 0.000 26.221) 42.399 4.324 ( 42.286 0.000 39.894) 58.134 5.491 ( -4.401 0.000 -4.749) 6.475 5.551 ( -2.389 0.000 -22.797) 22.922 5.624 ( -2.388 0.000 -6.575) 6.995 6.270 ( 6.570 0.000 -9.803) 11.801 6.325 ( 7.023 0.000 2.608) 7.491 8.120 ( -5.331 0.000 -1.798) 5.626 8.595 ( -1.782 0.000 25.189) 25.252 9.348 ( -11.722 0.000 12.903) 17.432 9.635 ( -0.466 0.000 -9.627) 9.638 13.812 ( 15.365 0.000 -1.370) 15.426 13.965 ( -6.768 0.000 -8.682) 11.008 16.128 ( -17.606 0.000 16.155) 23.895 17.187 ( 25.149 0.000 -28.266) 37.834 18.234 ( 32.953 0.000 -22.968) 40.168 18.321 ( 25.039 0.000 -11.128) 27.401 20.319 ( 2.715 0.000 22.112) 22.278 22.366 ( -12.019 0.000 -9.907) 15.576 28.604 ( -20.234 0.000 32.909) 38.632 29.253 ( -9.261 0.000 31.298) 32.640 30.720 ( 9.876 0.000 -4.279) 10.763 31.228 ( 0.570 0.000 -1.891) 1.975 31.419 ( 8.526 0.000 -16.218) 18.323 31.678 ( 4.734 0.000 -5.424) 7.199 32.104 ( -13.787 0.000 28.369) 31.542 34.096 ( -8.196 0.000 -1.270) 8.293 35.115 ( 4.868 0.000 10.432) 11.512 37.301 ( -31.370 0.000 -11.531) 33.422 38.807 ( -29.320 0.000 8.275) 30.465 39.814 ( -21.209 0.000 -8.057) 22.688 41.285 ( 28.231 0.000 -3.022) 28.392 41.610 ( 37.125 0.000 -14.878) 39.995 42.493 ( 11.396 0.000 9.336) 14.732 43.692 ( -2.453 0.000 -4.842) 5.428======================= Grid point 201 (64/180) =======================q-point: ( 0.27 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.643 ( 28.221 0.000 5.154) 28.688 3.380 ( 35.031 0.000 17.882) 39.331 5.101 ( 18.704 0.000 15.253) 24.134 5.379 ( 8.140 0.000 -3.533) 8.874 5.474 ( -5.269 0.000 -16.823) 17.629 5.623 ( 2.110 0.000 -15.599) 15.741 6.396 ( -0.604 0.000 2.881) 2.943 6.506 ( 15.788 0.000 1.885) 15.900 8.010 ( -6.275 0.000 -1.900) 6.556 8.606 ( 3.489 0.000 21.426) 21.708 9.056 ( -16.834 0.000 16.028) 23.244 9.592 ( -4.065 0.000 -5.452) 6.800 13.895 ( 0.559 0.000 -5.493) 5.521 14.253 ( 26.753 0.000 -6.032) 27.425 15.712 ( -22.921 0.000 15.050) 27.420 17.186 ( -15.155 0.000 -9.762) 18.027 18.911 ( 32.438 0.000 -16.169) 36.245 19.101 ( 42.655 0.000 -24.101) 48.993 20.371 ( 1.963 0.000 16.114) 16.234 22.070 ( -17.058 0.000 -10.708) 20.140 28.323 ( -7.440 0.000 40.787) 41.460 29.067 ( -9.756 0.000 34.764) 36.107 30.939 ( 11.212 0.000 -2.469) 11.481 31.106 ( -8.021 0.000 10.312) 13.064 31.520 ( 1.584 0.000 -8.441) 8.589 31.853 ( -11.832 0.000 22.092) 25.061 31.905 ( 17.078 0.000 -10.324) 19.956 33.896 ( -11.505 0.000 -3.138) 11.926 35.578 ( 35.090 0.000 -10.037) 36.497 36.732 ( -23.211 0.000 -10.971) 25.673 38.147 ( -34.377 0.000 8.878) 35.505 39.312 ( -27.369 0.000 -9.031) 28.820 41.836 ( 25.152 0.000 -1.892) 25.223 42.248 ( 26.209 0.000 -10.550) 28.252 42.694 ( 7.808 0.000 6.850) 10.386 43.610 ( -5.555 0.000 -3.207) 6.414======================= Grid point 202 (65/180) =======================q-point: ( 0.36 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.244 ( 30.121 0.000 -7.489) 31.038 4.065 ( 31.699 0.000 10.682) 33.451 4.874 ( -20.627 0.000 -15.211) 25.629 5.326 ( -9.593 0.000 -14.006) 16.976 5.706 ( 6.051 0.000 -16.213) 17.305 6.024 ( 34.739 0.000 9.228) 35.943 6.299 ( -8.470 0.000 0.298) 8.476 6.855 ( 16.327 0.000 7.575) 17.998 7.863 ( -6.909 0.000 1.701) 7.115 8.673 ( -20.615 0.000 19.351) 28.274 8.744 ( 9.781 0.000 16.568) 19.240 9.462 ( -8.732 0.000 -0.557) 8.749 14.001 ( 9.876 0.000 -0.621) 9.896 14.858 ( 32.006 0.000 -7.844) 32.953 15.218 ( -25.123 0.000 12.867) 28.227 16.757 ( -25.554 0.000 -6.970) 26.488 19.518 ( 26.617 0.000 -9.748) 28.346 19.916 ( 37.011 0.000 -20.644) 42.379 20.375 ( -2.207 0.000 9.346) 9.603 21.676 ( -21.639 0.000 -11.907) 24.699 28.279 ( 2.455 0.000 40.940) 41.014 28.849 ( -11.595 0.000 37.547) 39.296 31.015 ( -0.035 0.000 12.758) 12.758 31.158 ( 10.021 0.000 -1.278) 10.102 31.519 ( -1.466 0.000 -3.887) 4.155 31.597 ( -13.363 0.000 19.055) 23.274 32.315 ( 22.405 0.000 -11.560) 25.212 33.620 ( -15.876 0.000 -5.974) 16.962 36.388 ( 42.368 0.000 -16.844) 45.593 36.410 ( -7.348 0.000 -7.521) 10.514 37.451 ( -33.166 0.000 7.321) 33.965 38.713 ( -31.548 0.000 -11.774) 33.674 42.287 ( 18.946 0.000 -0.551) 18.954 42.701 ( 18.929 0.000 -6.589) 20.043 42.796 ( 1.997 0.000 4.574) 4.990 43.471 ( -8.066 0.000 -2.477) 8.437======================= Grid point 203 (66/180) =======================q-point: ( 0.45 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.845 ( 28.701 0.000 -14.295) 32.064 4.399 ( -25.588 0.000 -16.781) 30.599 4.646 ( 24.896 0.000 2.497) 25.021 5.066 ( -16.465 0.000 -7.012) 17.896 5.866 ( 9.601 0.000 -12.762) 15.970 6.086 ( -11.475 0.000 -5.781) 12.849 6.645 ( 25.559 0.000 0.411) 25.562 7.000 ( -6.327 0.000 0.553) 6.351 7.867 ( 10.915 0.000 15.789) 19.195 8.235 ( -21.680 0.000 21.328) 30.412 8.982 ( 12.977 0.000 10.920) 16.960 9.245 ( -12.303 0.000 5.029) 13.291 14.289 ( 18.107 0.000 4.640) 18.692 14.717 ( -23.462 0.000 9.325) 25.247 15.525 ( 33.024 0.000 -7.947) 33.966 16.179 ( -30.774 0.000 -7.268) 31.621 19.977 ( 18.335 0.000 -3.579) 18.681 20.260 ( -9.549 0.000 2.692) 9.922 20.608 ( 31.207 0.000 -16.549) 35.323 21.190 ( -26.214 0.000 -13.728) 29.591 28.397 ( 8.632 0.000 39.640) 40.569 28.608 ( -11.609 0.000 38.742) 40.444 31.104 ( 8.315 0.000 14.567) 16.773 31.326 ( -12.777 0.000 16.815) 21.119 31.338 ( 7.494 0.000 -0.978) 7.557 31.459 ( -4.441 0.000 -1.653) 4.739 32.788 ( 23.480 0.000 -10.882) 25.879 33.245 ( -20.898 0.000 -8.950) 22.734 36.453 ( 11.355 0.000 -1.873) 11.508 36.841 ( -25.717 0.000 3.606) 25.969 37.242 ( 40.726 0.000 -17.178) 44.201 38.025 ( -36.204 0.000 -14.887) 39.146 42.601 ( 11.855 0.000 0.914) 11.890 42.769 ( -4.732 0.000 2.596) 5.398 43.033 ( 14.012 0.000 -4.065) 14.590 43.281 ( -10.621 0.000 -2.753) 10.972======================= Grid point 209 (67/180) =======================q-point: ( 0.00 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.076 ( 0.000 20.527 36.443) 41.827 2.183 ( 0.000 21.322 39.126) 44.559 3.370 ( 0.000 22.662 56.208) 60.605 5.562 ( 0.000 -6.367 -29.833) 30.505 5.590 ( 0.000 10.321 4.814) 11.389 5.790 ( 0.000 -4.165 21.272) 21.676 5.793 ( 0.000 -6.568 -11.110) 12.906 6.449 ( 0.000 12.866 -21.048) 24.669 8.209 ( 0.000 -13.870 -4.484) 14.577 8.660 ( 0.000 -1.706 27.287) 27.341 9.481 ( 0.000 -8.928 10.404) 13.710 9.625 ( 0.000 0.146 -14.710) 14.710 13.972 ( 0.000 1.762 12.469) 12.593 14.326 ( 0.000 -21.376 6.817) 22.437 14.486 ( 0.000 9.171 -4.452) 10.194 17.332 ( 0.000 -3.525 -35.426) 35.601 17.810 ( 0.000 73.658 -24.126) 77.508 18.244 ( 0.000 11.391 1.238) 11.458 20.196 ( 0.000 -6.073 27.725) 28.382 22.566 ( 0.000 -5.034 -9.372) 10.638 28.934 ( 0.000 -26.533 24.991) 36.449 29.565 ( 0.000 -8.215 28.853) 30.000 30.117 ( 0.000 -15.011 -13.258) 20.027 31.280 ( 0.000 6.169 -17.877) 18.911 31.479 ( 0.000 24.858 -22.215) 33.338 31.814 ( 0.000 35.252 -19.921) 40.492 32.414 ( 0.000 -4.918 25.418) 25.889 34.335 ( 0.000 5.590 -2.324) 6.054 36.433 ( 0.000 -4.069 15.857) 16.371 38.272 ( 0.000 0.363 -9.215) 9.222 38.371 ( 0.000 -52.262 22.099) 56.742 39.618 ( 0.000 -15.152 -13.002) 19.966 40.789 ( 0.000 12.566 1.907) 12.709 41.044 ( 0.000 35.386 -6.404) 35.961 42.106 ( 0.000 -4.761 13.064) 13.905 43.654 ( 0.000 -4.315 -6.839) 8.087======================= Grid point 210 (68/180) =======================q-point: ( 0.09 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( -0.595 17.135 38.060) 41.744 2.306 ( 17.572 17.891 33.460) 41.814 3.748 ( 31.842 20.232 46.283) 59.711 5.470 ( -4.954 -5.067 -16.937) 18.360 5.653 ( -5.582 -3.160 4.101) 7.613 5.698 ( 5.205 9.409 -10.442) 14.988 5.934 ( 6.666 -8.047 3.564) 11.040 6.479 ( 3.126 13.327 -16.760) 21.639 8.131 ( -5.954 -11.033 -2.366) 12.758 8.639 ( -1.856 -1.039 25.853) 25.941 9.428 ( -5.210 -8.750 10.670) 14.750 9.635 ( 0.662 0.052 -12.800) 12.818 13.696 ( -4.354 0.300 6.299) 7.663 14.323 ( -8.829 17.299 -10.176) 21.926 15.180 ( 46.346 -32.912 10.374) 57.782 17.370 ( 4.070 13.053 -29.347) 32.376 18.051 ( 22.554 55.169 -31.208) 67.277 18.185 ( -4.591 4.998 3.095) 7.459 20.237 ( 3.792 -3.452 24.372) 24.906 22.504 ( -5.991 -4.757 -9.526) 12.217 28.795 ( -12.376 -19.870 29.613) 37.748 29.455 ( -7.901 0.327 28.033) 29.127 30.240 ( 9.470 -18.858 -9.051) 22.961 31.247 ( 0.034 8.573 -16.896) 18.947 31.509 ( 0.312 9.613 -14.072) 17.044 31.940 ( 9.157 37.784 -20.648) 44.020 32.326 ( -8.859 -3.822 26.452) 28.156 34.306 ( -3.135 7.523 -2.976) 8.676 35.573 ( -48.805 -1.334 29.716) 57.155 37.913 ( -29.186 -1.938 -11.014) 31.255 38.830 ( 13.929 -34.398 8.001) 37.964 39.758 ( 6.813 -19.780 -9.581) 23.010 40.883 ( 13.317 10.428 0.551) 16.923 41.121 ( 10.661 19.984 -5.079) 23.212 42.298 ( 15.470 2.537 7.570) 17.409 43.658 ( 0.047 -4.813 -6.345) 7.964======================= Grid point 211 (69/180) =======================q-point: ( 0.18 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.226 ( 15.219 9.215 25.780) 31.323 2.793 ( 28.652 10.613 25.176) 39.590 4.489 ( 38.445 13.997 31.474) 51.619 5.354 ( -7.201 -7.594 -17.455) 20.352 5.555 ( -3.635 -4.142 1.340) 5.672 5.763 ( 0.203 11.869 -20.019) 23.274 6.085 ( 8.791 -6.520 7.354) 13.186 6.578 ( 6.470 13.636 -8.226) 17.189 8.015 ( -5.376 -9.463 -1.351) 10.968 8.607 ( -0.652 0.687 22.285) 22.306 9.272 ( -9.955 -6.810 13.190) 17.873 9.635 ( -0.973 -0.365 -9.533) 9.589 13.840 ( 15.850 3.779 -2.093) 16.428 14.138 ( -7.001 14.987 -9.634) 19.142 15.793 ( 9.596 -19.587 15.551) 26.788 17.545 ( 8.960 15.932 -25.926) 31.722 18.086 ( 2.991 -1.455 0.027) 3.326 18.687 ( 35.334 25.955 -27.793) 51.909 20.335 ( 5.379 1.736 16.669) 17.601 22.327 ( -11.259 -3.759 -9.986) 15.512 28.522 ( -12.265 -5.631 37.802) 40.139 29.296 ( -7.851 4.609 30.358) 31.694 30.441 ( 9.696 -20.033 -4.831) 22.775 31.322 ( 6.941 2.581 -12.262) 14.325 31.476 ( -3.250 5.989 -8.013) 10.519 31.966 ( -11.537 15.497 10.792) 22.130 32.156 ( -1.640 12.458 7.027) 14.397 34.157 ( -11.739 6.171 -0.133) 13.262 35.149 ( 8.147 3.155 6.898) 11.131 37.268 ( -31.616 -3.245 -12.439) 34.130 38.665 ( -23.754 -12.659 8.517) 28.232 39.695 ( -12.894 -11.710 -7.406) 18.927 41.321 ( 25.659 3.026 -1.535) 25.882 41.515 ( 25.376 -5.013 -3.425) 26.093 42.618 ( 14.505 8.832 2.045) 17.105 43.638 ( -2.272 -5.003 -4.914) 7.371======================= Grid point 212 (70/180) =======================q-point: ( 0.27 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.659 ( 25.875 2.348 8.260) 27.262 3.418 ( 31.834 3.909 18.219) 36.887 5.103 ( -4.843 -2.995 -5.196) 7.709 5.270 ( 22.664 -2.186 2.414) 22.896 5.505 ( -2.263 -3.560 -2.319) 4.814 5.744 ( 0.828 10.357 -24.807) 26.895 6.254 ( 6.069 -3.569 11.264) 13.283 6.751 ( 11.355 14.929 -0.875) 18.777 7.899 ( -6.317 -9.950 -1.164) 11.843 8.626 ( 2.297 0.896 18.006) 18.174 9.035 ( -12.821 -1.560 16.883) 21.257 9.585 ( -4.236 -0.793 -5.316) 6.843 14.005 ( 0.156 10.125 -6.112) 11.828 14.350 ( 27.390 9.109 -6.853) 29.667 15.671 ( -16.778 -2.182 16.233) 23.447 17.415 ( -18.125 19.083 -10.528) 28.346 18.520 ( 32.421 -22.668 -8.248) 40.411 19.399 ( 32.865 13.613 -19.427) 40.532 20.442 ( 5.023 7.041 6.810) 11.008 22.054 ( -15.434 -1.534 -10.796) 18.897 28.347 ( -4.585 2.680 40.788) 41.133 29.122 ( -9.517 5.443 34.082) 35.802 30.617 ( 7.528 -19.112 0.113) 20.542 31.396 ( -3.339 11.433 -0.345) 11.916 31.486 ( 7.486 -2.512 -5.288) 9.504 31.706 ( -11.187 -0.589 16.184) 19.683 32.178 ( 4.035 15.300 -2.867) 16.081 33.891 ( -13.952 0.036 -1.601) 14.044 35.658 ( 36.093 7.436 -12.406) 38.883 36.700 ( -22.833 -3.031 -11.650) 25.812 38.062 ( -32.950 -7.546 9.722) 35.173 39.308 ( -23.731 -1.103 -8.993) 25.402 41.830 ( 23.432 -1.617 -0.907) 23.506 42.023 ( 22.764 -13.999 -0.174) 26.724 42.865 ( 9.791 10.603 -0.877) 14.459 43.564 ( -4.913 -4.202 -3.536) 7.369======================= Grid point 213 (71/180) =======================q-point: ( 0.36 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.223 ( 28.652 -1.670 -4.550) 29.059 4.054 ( 29.822 -1.056 12.503) 32.354 4.792 ( -18.930 -5.847 -15.678) 25.265 5.388 ( -9.997 1.573 -5.651) 11.591 5.610 ( 7.411 -4.625 -15.891) 18.133 5.935 ( 10.010 -10.813 -6.442) 16.082 6.368 ( 10.840 9.228 4.929) 15.065 7.030 ( 13.384 13.728 4.929) 19.796 7.769 ( -4.805 -8.419 3.022) 10.154 8.590 ( -11.494 -4.431 17.449) 21.359 8.869 ( 2.165 8.018 17.189) 19.090 9.459 ( -8.104 -0.220 -0.215) 8.110 14.088 ( 8.547 8.114 -0.965) 11.824 14.980 ( 33.251 11.334 -8.603) 36.168 15.241 ( -23.553 2.756 13.807) 27.440 16.947 ( -26.843 16.976 -7.926) 32.735 19.180 ( 30.496 -23.940 -4.644) 39.048 19.942 ( 17.501 -3.604 -4.054) 18.322 20.566 ( 9.327 16.303 -8.447) 20.595 21.707 ( -18.503 2.711 -12.165) 22.309 28.334 ( 3.061 5.342 39.777) 40.251 28.907 ( -11.533 5.639 36.602) 38.788 30.761 ( 7.429 -15.415 6.165) 18.188 31.365 ( -1.632 3.686 10.226) 10.992 31.492 ( -7.811 -1.816 7.563) 11.023 31.584 ( 1.028 5.808 -2.350) 6.349 32.377 ( 15.533 4.983 -8.352) 18.327 33.579 ( -17.038 -3.396 -5.008) 18.081 36.369 ( -0.909 -2.755 -8.063) 8.569 36.493 ( 35.987 8.389 -17.607) 40.932 37.390 ( -31.992 -5.329 8.187) 33.450 38.760 ( -29.890 3.937 -12.001) 32.449 42.248 ( 17.254 -4.684 0.599) 17.889 42.406 ( 14.434 -15.496 2.911) 21.376 43.023 ( 6.222 10.327 -3.217) 12.479 43.444 ( -6.809 -2.450 -3.015) 7.839======================= Grid point 214 (72/180) =======================q-point: ( 0.45 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.797 ( 27.271 -4.348 -11.682) 29.985 4.308 ( -21.030 -7.658 -12.370) 25.572 4.666 ( 22.495 0.995 3.096) 22.729 5.100 ( -18.188 1.294 -1.915) 18.334 5.754 ( 7.635 -7.936 -15.150) 18.730 5.914 ( -7.202 -12.887 -8.884) 17.230 6.747 ( 21.038 6.843 -4.767) 22.631 7.090 ( -9.847 5.943 -5.065) 12.567 7.857 ( 14.964 -0.024 18.820) 24.044 8.241 ( -19.894 0.679 21.468) 29.277 9.033 ( 10.917 4.669 11.115) 16.264 9.262 ( -10.942 1.701 5.424) 12.331 14.351 ( 17.008 5.908 4.788) 18.631 14.760 ( -22.631 4.283 9.926) 25.081 15.674 ( 34.115 13.623 -8.864) 37.788 16.348 ( -31.733 15.342 -8.268) 36.204 19.717 ( 21.581 -20.669 0.163) 29.883 20.025 ( -7.637 -16.229 4.143) 18.408 20.885 ( 20.271 17.921 -17.066) 31.989 21.309 ( -20.565 9.591 -14.464) 26.909 28.457 ( 8.635 5.784 38.267) 39.653 28.667 ( -11.549 5.719 37.484) 39.638 30.944 ( 10.704 -11.885 11.531) 19.718 31.186 ( -12.401 -10.439 16.306) 22.992 31.490 ( 3.804 9.645 -1.703) 10.507 31.563 ( -2.784 7.873 -0.292) 8.356 32.763 ( 21.108 -2.105 -9.524) 23.253 33.195 ( -20.605 -4.342 -8.018) 22.532 36.424 ( 11.028 -2.694 -1.506) 11.452 36.798 ( -24.560 -3.890 4.273) 25.231 37.329 ( 39.916 7.995 -17.895) 44.468 38.097 ( -35.322 6.439 -15.334) 39.041 42.517 ( 8.803 -8.018 2.574) 12.182 42.585 ( 2.644 -12.948 4.183) 13.862 43.146 ( 6.558 6.758 -4.464) 10.422 43.294 ( -7.659 1.002 -3.578) 8.513======================= Grid point 220 (73/180) =======================q-point: ( 0.00 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.571 ( 0.000 25.653 28.107) 38.054 2.730 ( 0.000 29.566 30.094) 42.188 3.982 ( 0.000 33.722 35.252) 48.784 5.257 ( 0.000 -18.733 -16.952) 25.265 5.633 ( 0.000 -7.531 23.245) 24.434 5.847 ( 0.000 7.264 -17.439) 18.891 5.937 ( 0.000 20.166 4.390) 20.639 6.681 ( 0.000 9.194 -17.891) 20.115 7.903 ( 0.000 -14.971 -2.286) 15.144 8.599 ( 0.000 -5.069 20.522) 21.138 9.234 ( 0.000 -13.575 11.811) 17.994 9.597 ( 0.000 -3.295 -14.530) 14.899 13.943 ( 0.000 -9.111 13.295) 16.118 14.014 ( 0.000 1.999 10.680) 10.866 15.033 ( 0.000 32.890 -12.534) 35.197 17.223 ( 0.000 -7.014 -34.993) 35.689 18.249 ( 0.000 6.723 6.405) 9.286 19.403 ( 0.000 61.532 -37.873) 72.253 20.004 ( 0.000 -12.548 27.666) 30.379 22.410 ( 0.000 -10.117 -9.950) 14.190 28.522 ( 0.000 -9.475 39.093) 40.225 29.631 ( 0.000 9.452 25.847) 27.521 29.757 ( 0.000 -18.750 -7.595) 20.230 31.318 ( 0.000 -4.471 -9.024) 10.071 31.651 ( 0.000 6.094 -7.936) 10.006 32.331 ( 0.000 -1.906 18.353) 18.451 32.775 ( 0.000 43.943 -38.980) 58.740 34.466 ( 0.000 6.023 -8.365) 10.308 36.327 ( 0.000 -5.398 18.564) 19.333 37.478 ( 0.000 -34.206 24.700) 42.191 38.283 ( 0.000 0.820 -10.713) 10.744 39.218 ( 0.000 -20.689 -15.978) 26.141 41.017 ( 0.000 9.529 8.230) 12.591 41.706 ( 0.000 28.152 -7.435) 29.118 41.967 ( 0.000 -8.441 13.583) 15.992 43.522 ( 0.000 -8.443 -6.928) 10.922======================= Grid point 221 (74/180) =======================q-point: ( 0.09 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.591 ( -4.724 29.714 28.823) 41.665 2.734 ( 10.541 22.681 27.981) 37.529 4.259 ( 23.289 26.291 27.719) 44.743 5.216 ( -3.270 -16.642 -16.236) 23.479 5.611 ( -4.103 -5.625 12.258) 14.098 5.886 ( 6.606 9.240 2.507) 11.632 5.985 ( 2.558 14.420 -9.345) 17.373 6.725 ( 4.273 10.372 -13.711) 17.715 7.863 ( -3.611 -14.067 -2.603) 14.755 8.590 ( -0.620 -4.695 19.229) 19.804 9.198 ( -3.340 -12.014 12.404) 17.588 9.605 ( 0.470 -3.396 -12.765) 13.217 13.730 ( 1.208 3.229 4.167) 5.408 14.608 ( 20.974 -0.430 5.443) 21.673 14.965 ( 6.848 17.624 -3.811) 19.288 17.391 ( 12.332 -2.829 -27.481) 30.254 18.225 ( -1.171 3.721 4.834) 6.211 19.282 ( -7.479 47.152 -24.136) 53.495 20.164 ( 12.287 -0.430 11.793) 17.037 22.358 ( -5.013 -9.428 -10.071) 14.678 28.504 ( -1.667 -6.067 39.448) 39.946 29.565 ( -4.809 8.321 24.304) 26.135 29.849 ( 7.191 -17.831 -4.092) 19.657 31.280 ( -2.991 -5.413 -6.438) 8.927 31.652 ( 0.059 6.886 -8.233) 10.733 32.271 ( -5.844 -0.378 17.143) 18.116 32.779 ( -1.796 37.130 -31.959) 49.023 34.513 ( 3.546 11.709 -11.350) 16.688 35.539 ( -44.495 -1.707 26.402) 51.767 37.847 ( -31.137 -4.743 -13.178) 34.142 38.124 ( 30.745 -31.116 12.359) 45.456 39.359 ( 5.067 -17.524 -7.541) 19.739 41.058 ( 6.813 5.924 6.161) 10.930 41.504 ( -5.753 16.257 1.993) 17.359 42.355 ( 23.211 3.331 1.507) 23.497 43.519 ( -0.383 -8.517 -6.427) 10.676======================= Grid point 222 (75/180) =======================q-point: ( 0.18 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.561 ( 4.383 22.900 25.123) 34.275 3.076 ( 21.040 15.992 21.060) 33.793 4.779 ( 25.179 10.869 14.409) 30.979 5.140 ( -4.459 -12.821 -18.004) 22.548 5.484 ( -6.958 -3.839 5.826) 9.854 5.996 ( -1.828 10.032 -17.430) 20.194 6.097 ( 12.758 9.571 11.455) 19.636 6.853 ( 8.290 12.894 -5.741) 16.368 7.767 ( -5.654 -13.629 -3.284) 15.116 8.587 ( 0.364 -4.182 15.942) 16.485 9.112 ( -4.690 -6.969 14.753) 16.977 9.602 ( -1.027 -3.155 -8.959) 9.554 13.970 ( 20.266 8.368 -3.513) 22.205 14.520 ( -10.195 20.441 -12.629) 26.101 15.518 ( 24.742 -7.147 17.134) 30.933 17.598 ( 9.947 -4.209 -13.575) 17.348 18.196 ( -4.740 7.074 0.483) 8.529 19.272 ( 9.180 25.442 -13.268) 30.126 20.418 ( 11.985 7.749 -2.929) 14.570 22.213 ( -8.944 -7.211 -10.424) 15.514 28.465 ( -1.789 1.156 39.611) 39.668 29.452 ( -6.480 10.305 28.720) 31.193 30.020 ( 9.347 -19.790 -3.329) 22.138 31.226 ( -1.923 -9.922 0.287) 10.110 31.653 ( 0.079 7.577 -7.112) 10.392 32.098 ( -10.658 5.965 11.494) 16.771 32.646 ( -10.081 24.079 -14.009) 29.626 34.354 ( -20.966 12.416 2.302) 24.475 35.243 ( 17.829 6.039 -2.842) 19.037 37.167 ( -32.189 -6.398 -14.651) 35.941 38.338 ( -11.277 -17.932 9.523) 23.225 39.377 ( -1.624 -16.905 -2.023) 17.103 41.310 ( 15.524 -3.608 2.864) 16.193 41.582 ( 13.245 10.529 3.956) 17.377 42.767 ( 16.693 5.029 -2.864) 17.667 43.500 ( -1.650 -8.025 -5.313) 9.765======================= Grid point 223 (76/180) =======================q-point: ( 0.27 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.783 ( 16.726 10.494 14.361) 24.416 3.547 ( 24.492 8.406 15.507) 30.183 4.967 ( -11.072 -9.259 -15.593) 21.247 5.216 ( 11.893 -6.581 3.983) 14.164 5.406 ( 2.535 -4.106 -2.275) 5.335 5.908 ( -6.627 5.307 -18.126) 20.016 6.358 ( 11.997 12.512 5.601) 18.217 7.071 ( 13.399 15.882 3.127) 21.013 7.642 ( -6.370 -13.864 -3.426) 15.637 8.587 ( -1.179 -5.584 14.071) 15.185 9.030 ( -2.563 1.906 17.246) 17.539 9.556 ( -3.548 -2.051 -4.234) 5.892 14.275 ( 0.436 14.742 -7.721) 16.647 14.608 ( 27.672 15.305 -9.426) 32.997 15.679 ( -7.894 3.200 18.393) 20.269 17.797 ( -6.658 10.373 -14.261) 18.849 18.115 ( 14.271 -10.818 6.746) 19.136 19.579 ( 16.358 4.368 -1.371) 16.987 20.653 ( 11.616 12.509 -14.262) 22.244 22.006 ( -11.140 -3.081 -11.129) 16.046 28.447 ( 0.445 7.155 38.314) 38.979 29.294 ( -9.151 11.224 32.652) 35.719 30.218 ( 9.908 -19.336 -0.246) 21.728 31.198 ( -1.440 -15.827 10.773) 19.200 31.636 ( -2.588 4.290 -3.071) 5.876 31.905 ( -5.992 16.729 -1.674) 17.849 32.469 ( -5.502 11.732 -3.538) 13.432 33.923 ( -20.189 3.418 1.873) 20.561 35.863 ( 37.415 11.845 -17.610) 43.015 36.610 ( -21.026 -5.389 -13.351) 25.483 37.873 ( -29.411 -10.064 11.528) 33.154 39.233 ( -13.562 -6.435 -6.843) 16.497 41.653 ( 18.025 -11.722 5.057) 22.088 41.930 ( 17.771 2.650 4.010) 18.410 43.033 ( 9.686 5.057 -4.463) 11.803 43.451 ( -3.009 -6.142 -4.355) 8.108======================= Grid point 224 (77/180) =======================q-point: ( 0.36 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.198 ( 23.019 -0.079 3.859) 23.340 4.032 ( 21.386 -0.807 11.632) 24.358 4.678 ( -14.964 -5.386 -13.272) 20.714 5.249 ( -4.927 -12.908 5.389) 14.831 5.568 ( 6.940 -4.436 -13.412) 15.739 5.761 ( -6.189 -1.221 -16.362) 17.536 6.587 ( 11.474 10.204 -8.468) 17.535 7.307 ( 1.690 8.428 -6.344) 10.683 7.585 ( 7.776 -4.728 13.804) 16.534 8.501 ( -7.898 -4.442 17.463) 19.673 9.037 ( 3.503 7.979 15.547) 17.823 9.458 ( -6.086 0.117 1.105) 6.187 14.312 ( 5.736 12.798 -2.076) 14.177 15.288 ( 31.680 16.825 -8.883) 36.954 15.350 ( -16.881 8.193 13.700) 23.233 17.371 ( -27.533 21.911 -10.261) 36.654 18.673 ( 30.993 -23.897 6.091) 39.608 19.788 ( 2.303 -9.706 8.466) 13.083 20.917 ( 14.595 15.911 -20.981) 30.106 21.770 ( -12.016 2.940 -12.616) 17.669 28.496 ( 4.515 10.104 36.076) 37.735 29.081 ( -11.528 11.212 34.043) 37.650 30.425 ( 10.742 -16.989 5.686) 20.889 31.121 ( -7.252 -17.627 21.270) 28.560 31.587 ( -0.015 3.791 -9.054) 9.816 31.846 ( -2.268 16.779 -4.979) 17.649 32.473 ( 6.588 3.200 -3.962) 8.327 33.517 ( -20.107 -1.685 -2.190) 20.296 36.286 ( -3.796 -5.002 -7.138) 9.506 36.718 ( 37.932 12.369 -20.780) 44.985 37.262 ( -28.448 -6.357 9.481) 30.653 38.839 ( -24.482 2.955 -11.901) 27.382 42.007 ( 15.774 -14.997 6.561) 22.733 42.231 ( 10.919 -4.002 5.491) 12.860 43.176 ( 4.878 4.235 -5.332) 8.376 43.384 ( -3.503 -2.760 -4.121) 6.072======================= Grid point 225 (78/180) =======================q-point: ( 0.45 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.680 ( 23.700 -6.671 -3.181) 24.825 4.117 ( -16.586 -10.598 -3.706) 20.029 4.662 ( 16.886 -1.194 3.168) 17.222 5.030 ( -16.102 -8.247 6.684) 19.286 5.645 ( 2.310 -2.610 -19.118) 19.433 5.690 ( -2.029 -6.627 -15.848) 17.297 6.848 ( 14.064 2.404 -14.994) 20.697 7.134 ( -13.198 -2.728 -15.337) 20.417 7.918 ( 18.842 6.391 23.687) 30.934 8.267 ( -14.772 1.876 21.838) 26.432 9.155 ( 7.419 6.615 11.346) 15.085 9.315 ( -7.778 3.239 6.495) 10.638 14.523 ( 14.800 10.268 4.818) 18.646 14.896 ( -21.190 8.593 11.000) 25.374 16.038 ( 36.286 20.193 -11.289) 43.033 16.748 ( -33.220 21.740 -10.726) 41.125 19.257 ( 25.244 -22.419 8.244) 34.754 19.663 ( -13.916 -18.010 9.927) 24.831 21.226 ( 15.144 14.407 -19.256) 28.420 21.515 ( -13.223 9.418 -15.396) 22.374 28.632 ( 8.790 10.974 34.413) 37.175 28.842 ( -11.507 11.100 33.992) 37.564 30.660 ( 12.256 -15.413 12.528) 23.339 30.913 ( -12.157 -15.750 18.925) 27.460 31.650 ( 5.317 5.578 -8.706) 11.627 31.766 ( -5.394 10.548 -5.281) 12.971 32.721 ( 16.664 -1.479 -5.471) 17.601 33.104 ( -20.186 -3.275 -4.754) 20.996 36.348 ( 10.651 -4.486 -0.397) 11.564 36.697 ( -22.594 -5.529 6.053) 24.036 37.542 ( 37.767 11.820 -19.940) 44.313 38.259 ( -32.260 8.444 -16.392) 37.158 42.264 ( 8.980 -14.191 7.241) 18.289 42.352 ( 0.740 -10.167 6.988) 12.359 43.252 ( 3.076 3.152 -5.553) 7.087 43.315 ( -3.215 1.005 -4.771) 5.840======================= Grid point 231 (79/180) =======================q-point: ( 0.00 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.094 ( 0.000 24.530 20.095) 31.710 3.327 ( 0.000 26.532 22.700) 34.918 4.597 ( 0.000 20.301 13.824) 24.560 4.866 ( 0.000 -18.171 -7.424) 19.629 5.515 ( 0.000 -0.046 24.283) 24.283 5.996 ( 0.000 5.403 -17.275) 18.100 6.446 ( 0.000 28.666 5.998) 29.287 6.834 ( 0.000 6.405 -10.255) 12.091 7.595 ( 0.000 -15.008 -3.384) 15.385 8.361 ( 0.000 -20.100 11.897) 23.357 9.038 ( 0.000 -2.706 10.981) 11.309 9.482 ( 0.000 -7.737 -12.293) 14.525 13.880 ( 0.000 1.333 9.807) 9.897 14.040 ( 0.000 0.227 8.632) 8.635 15.733 ( 0.000 33.085 -18.778) 38.043 17.040 ( 0.000 -10.884 -33.968) 35.669 18.447 ( 0.000 13.073 13.832) 19.032 19.679 ( 0.000 -18.793 27.260) 33.110 20.469 ( 0.000 42.915 -31.123) 53.013 22.146 ( 0.000 -15.594 -11.660) 19.471 28.509 ( 0.000 6.284 33.265) 33.853 29.372 ( 0.000 -18.212 -0.034) 18.212 29.897 ( 0.000 15.919 23.774) 28.611 31.090 ( 0.000 -16.387 5.761) 17.371 31.824 ( 0.000 10.667 -5.160) 11.850 32.322 ( 0.000 -0.429 7.007) 7.020 33.555 ( 0.000 31.762 -33.374) 46.072 34.536 ( 0.000 -0.309 -15.780) 15.783 36.250 ( 0.000 -1.004 21.343) 21.366 36.914 ( 0.000 -21.673 21.124) 30.264 38.310 ( 0.000 1.973 -13.157) 13.304 38.822 ( 0.000 -16.977 -17.743) 24.557 41.194 ( 0.000 8.035 12.711) 15.037 41.770 ( 0.000 -10.233 14.295) 17.580 42.227 ( 0.000 22.794 -6.952) 23.831 43.308 ( 0.000 -12.263 -7.003) 14.122======================= Grid point 232 (80/180) =======================q-point: ( 0.09 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.179 ( 7.403 23.739 17.915) 30.648 3.251 ( -5.529 28.292 23.280) 37.053 4.673 ( 6.013 7.412 9.200) 13.256 4.874 ( 1.307 -13.344 -6.887) 15.073 5.495 ( -2.538 -1.478 16.883) 17.137 6.074 ( 6.875 6.231 -14.162) 16.930 6.405 ( -2.578 25.144 4.876) 25.742 6.924 ( 7.731 10.081 -5.109) 13.693 7.569 ( -2.563 -14.159 -5.257) 15.319 8.359 ( 0.084 -19.150 11.933) 22.564 9.039 ( 0.229 -1.423 11.461) 11.551 9.490 ( 0.718 -7.500 -10.612) 13.014 13.821 ( 6.373 5.005 1.498) 8.241 14.545 ( 33.911 -2.352 13.625) 36.622 15.467 ( -18.836 23.661 -19.957) 36.234 17.331 ( 19.843 -2.459 -24.293) 31.463 18.340 ( -7.583 7.584 12.074) 16.149 19.648 ( -3.017 -6.488 21.335) 22.503 20.536 ( 6.154 32.439 -28.197) 43.419 22.115 ( -2.919 -14.092 -11.626) 18.500 28.525 ( 1.481 6.598 33.152) 33.835 29.430 ( 5.595 -17.179 1.431) 18.124 29.865 ( -3.131 15.224 23.964) 28.564 31.045 ( -4.084 -16.270 7.661) 18.441 31.818 ( -0.658 9.598 -4.545) 10.640 32.291 ( -2.885 0.676 5.223) 6.005 33.400 ( -13.991 22.677 -26.937) 37.889 34.749 ( 18.136 10.028 -22.708) 30.743 35.521 ( -42.278 0.486 23.552) 48.398 37.551 ( 32.752 -21.375 15.018) 41.894 37.758 ( -35.458 -5.975 -15.585) 39.190 39.065 ( 7.295 -10.647 -6.324) 14.372 41.140 ( -0.716 2.478 9.462) 9.807 41.751 ( 0.460 7.063 9.508) 11.853 42.474 ( 18.412 8.992 -4.500) 20.979 43.313 ( 0.501 -11.300 -6.560) 13.076======================= Grid point 233 (81/180) =======================q-point: ( 0.18 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.119 ( -4.384 29.438 21.221) 36.553 3.425 ( 14.449 17.105 14.290) 26.562 4.760 ( 1.353 -13.757 -4.143) 14.431 4.940 ( 4.499 -6.789 -0.252) 8.148 5.412 ( -4.568 -0.227 6.240) 7.737 6.136 ( -3.829 2.952 -16.705) 17.391 6.460 ( 9.347 22.296 6.222) 24.964 7.117 ( 11.182 13.030 3.797) 17.585 7.493 ( -4.749 -11.942 -9.758) 16.137 8.374 ( 1.328 -16.317 12.689) 20.713 9.055 ( 1.549 1.618 12.555) 12.754 9.503 ( 0.349 -6.202 -6.468) 8.967 14.153 ( 24.326 8.453 -5.593) 26.353 14.919 ( -7.539 17.033 -12.871) 22.641 15.445 ( 24.835 -1.659 11.436) 27.392 17.535 ( -0.205 -0.842 0.347) 0.934 18.303 ( 3.470 3.435 -2.315) 5.404 19.589 ( -1.297 5.477 14.031) 15.118 20.697 ( 9.246 18.087 -25.942) 32.949 22.034 ( -4.772 -9.898 -11.582) 15.965 28.567 ( 2.677 7.985 32.717) 33.783 29.584 ( 8.717 -11.932 8.106) 16.854 29.774 ( -5.371 10.558 21.367) 24.431 30.941 ( -5.694 -17.182 12.433) 21.960 31.789 ( -2.446 6.747 -2.940) 7.756 32.225 ( -2.773 4.406 -0.245) 5.212 33.041 ( -19.876 14.228 -17.397) 30.002 34.613 ( -31.721 10.965 7.007) 34.286 35.405 ( 30.628 9.466 -17.379) 36.465 37.020 ( -32.585 -7.181 -16.757) 37.339 37.964 ( 1.213 -17.241 12.144) 21.124 39.075 ( -1.014 -11.363 4.526) 12.273 41.240 ( 9.071 -2.833 4.006) 10.313 41.833 ( 7.739 12.210 8.123) 16.582 42.827 ( 14.870 1.117 -5.507) 15.896 43.327 ( 0.826 -8.178 -5.517) 9.900======================= Grid point 234 (82/180) =======================q-point: ( 0.27 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.103 ( 3.310 20.089 17.493) 26.843 3.745 ( 16.065 9.917 9.842) 21.292 4.710 ( -6.800 -15.664 -8.460) 19.057 4.991 ( 0.222 -13.526 2.920) 13.839 5.383 ( 2.630 1.684 -3.400) 4.617 5.985 ( -9.404 2.048 -13.615) 16.673 6.652 ( 7.382 13.837 -10.049) 18.626 7.362 ( -0.593 -8.475 1.463) 8.621 7.408 ( 9.957 12.655 0.116) 16.102 8.404 ( 1.259 -11.334 15.276) 19.063 9.105 ( 3.294 4.608 13.292) 14.448 9.498 ( -0.989 -3.496 -1.318) 3.865 14.560 ( 3.538 11.790 -9.127) 15.324 14.946 ( 25.272 16.335 -14.161) 33.257 15.774 ( 0.231 4.685 18.851) 19.426 17.627 ( 14.696 -13.539 8.665) 21.779 18.257 ( -10.098 11.321 -5.531) 16.147 19.618 ( 2.493 0.256 13.658) 13.886 20.912 ( 12.213 11.685 -26.681) 31.584 21.931 ( -5.303 -4.061 -11.851) 13.603 28.634 ( 4.027 10.465 31.680) 33.606 29.582 ( -9.140 16.415 30.801) 36.079 29.834 ( 11.115 -17.381 3.596) 20.942 30.830 ( -5.103 -19.510 18.453) 27.335 31.713 ( -4.584 3.886 -4.693) 7.625 32.210 ( 1.414 10.418 -6.664) 12.448 32.656 ( -16.543 7.283 -9.782) 20.552 34.023 ( -26.126 5.452 5.204) 27.191 36.110 ( 32.218 10.682 -21.309) 40.078 36.505 ( -13.131 -3.659 -16.771) 21.612 37.667 ( -24.781 -9.505 13.206) 29.645 39.064 ( -3.318 -8.819 -0.802) 9.456 41.464 ( 12.758 -6.511 5.967) 15.516 42.025 ( 9.525 5.812 8.574) 14.072 43.062 ( 8.424 -2.203 -7.082) 11.224 43.346 ( 1.027 -3.259 -4.465) 5.623======================= Grid point 235 (83/180) =======================q-point: ( 0.36 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.255 ( 11.293 6.358 12.675) 18.128 4.003 ( 5.574 -3.630 7.987) 10.394 4.545 ( -4.869 -7.084 -5.513) 10.212 4.969 ( -2.719 -11.969 -0.066) 12.274 5.477 ( 5.320 -2.418 -8.510) 10.323 5.794 ( -8.579 1.646 -13.856) 16.380 6.758 ( 4.103 6.274 -21.761) 23.016 7.209 ( -9.152 -10.289 -18.163) 22.793 7.753 ( 17.786 13.572 22.026) 31.396 8.405 ( -1.793 -4.882 18.787) 19.494 9.185 ( 4.512 6.058 12.883) 14.934 9.460 ( -2.837 -0.067 3.746) 4.699 14.575 ( 3.437 11.641 -3.669) 12.680 15.518 ( -19.397 8.806 16.376) 26.869 15.663 ( 37.910 16.615 -14.192) 43.757 17.754 ( -19.960 11.736 -11.215) 25.727 18.255 ( 24.829 -13.734 15.221) 32.199 19.587 ( -7.148 -8.997 15.950) 19.658 21.189 ( 14.380 10.159 -24.665) 30.305 21.818 ( -5.945 1.647 -13.055) 14.439 28.738 ( 6.322 12.821 30.126) 33.345 29.359 ( -12.049 15.095 29.304) 35.096 30.077 ( 12.315 -15.909 10.314) 22.609 30.720 ( -6.378 -20.625 23.263) 31.737 31.649 ( -0.442 2.511 -11.909) 12.178 32.179 ( -8.863 14.030 -13.548) 21.423 32.488 ( 4.072 -1.361 -1.627) 4.591 33.529 ( -22.845 2.498 1.799) 23.051 36.177 ( -3.457 -5.072 -6.151) 8.690 36.946 ( 19.662 7.476 -13.112) 24.787 37.167 ( -8.359 -1.156 -0.455) 8.451 38.865 ( -16.373 -0.429 -9.849) 19.111 41.743 ( 13.992 -9.878 9.269) 19.475 42.166 ( 3.499 -2.392 10.029) 10.888 43.191 ( 4.950 -2.042 -7.594) 9.291 43.360 ( 0.014 0.362 -4.263) 4.279======================= Grid point 236 (84/180) =======================q-point: ( 0.45 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.540 ( 16.102 -5.982 8.673) 19.243 3.871 ( -14.844 -13.124 6.699) 20.915 4.641 ( 10.904 -0.296 -2.030) 11.096 4.855 ( -8.680 -6.536 -0.670) 10.886 5.573 ( 4.075 -2.910 -12.090) 13.086 5.658 ( -4.892 -0.087 -14.501) 15.304 6.857 ( 6.231 -0.794 -24.676) 25.463 7.017 ( -9.156 -6.916 -22.611) 25.356 8.084 ( 14.134 8.319 23.301) 28.494 8.310 ( -7.852 1.874 21.708) 23.160 9.284 ( 5.101 5.430 11.108) 13.375 9.384 ( -4.482 3.149 8.013) 9.707 14.743 ( 13.006 10.095 4.279) 17.011 15.088 ( -20.290 9.181 11.449) 25.041 16.447 ( 37.825 18.047 -14.780) 44.440 17.175 ( -33.273 18.083 -13.764) 40.293 18.834 ( 27.631 -17.617 16.816) 36.832 19.316 ( -19.090 -14.803 16.740) 29.390 21.466 ( 12.254 8.674 -19.905) 24.932 21.676 ( -8.434 5.921 -15.710) 18.788 28.896 ( 9.328 14.089 28.829) 33.416 29.113 ( -11.727 14.536 28.542) 34.110 30.325 ( 11.954 -16.245 16.850) 26.281 30.553 ( -10.045 -18.536 22.309) 30.695 31.724 ( 7.752 1.838 -15.576) 17.496 31.937 ( -12.360 5.154 -14.686) 19.875 32.718 ( 15.849 1.394 -0.714) 15.926 33.090 ( -20.252 1.713 0.141) 20.325 36.251 ( 10.622 -4.495 1.221) 11.599 36.584 ( -21.267 -4.993 8.218) 23.339 37.781 ( 34.724 10.458 -22.835) 42.855 38.416 ( -27.211 6.247 -17.259) 32.823 42.000 ( 10.657 -10.640 10.803) 18.533 42.156 ( -4.320 -8.246 10.971) 14.388 43.279 ( 3.724 0.006 -6.620) 7.596 43.339 ( -2.080 1.103 -5.171) 5.682======================= Grid point 242 (85/180) =======================q-point: ( 0.00 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.552 ( 0.000 18.358 13.063) 22.532 3.715 ( 0.000 6.774 14.938) 16.402 4.590 ( 0.000 -4.884 4.118) 6.388 4.681 ( 0.000 -7.543 10.108) 12.612 5.728 ( 0.000 16.377 8.904) 18.640 5.993 ( 0.000 -6.919 -8.689) 11.108 6.998 ( 0.000 10.466 -5.666) 11.901 7.082 ( 0.000 28.582 4.794) 28.981 7.300 ( 0.000 -9.598 -0.512) 9.612 7.805 ( 0.000 -31.661 10.591) 33.385 9.105 ( 0.000 7.495 1.653) 7.675 9.294 ( 0.000 -9.868 -7.017) 12.109 13.945 ( 0.000 3.992 7.613) 8.596 14.017 ( 0.000 -2.523 7.334) 7.756 16.340 ( 0.000 24.963 -26.343) 36.292 16.763 ( 0.000 -16.451 -31.551) 35.582 18.795 ( 0.000 20.250 21.214) 29.328 19.246 ( 0.000 -22.420 25.657) 34.073 21.219 ( 0.000 30.633 -21.992) 37.710 21.759 ( 0.000 -22.118 -15.414) 26.959 28.717 ( 0.000 12.825 21.341) 24.898 29.017 ( 0.000 -16.027 9.631) 18.698 30.272 ( 0.000 19.923 20.782) 28.789 30.697 ( 0.000 -20.631 15.377) 25.731 32.065 ( 0.000 11.625 -2.217) 11.835 32.259 ( 0.000 -6.386 1.056) 6.473 34.096 ( 0.000 20.958 -26.484) 33.773 34.424 ( 0.000 -10.718 -21.432) 23.963 36.315 ( 0.000 7.440 21.268) 22.532 36.545 ( 0.000 -14.515 19.931) 24.657 38.378 ( 0.000 5.023 -15.941) 16.713 38.535 ( 0.000 -10.606 -17.796) 20.716 41.364 ( 0.000 8.727 14.641) 17.045 41.559 ( 0.000 -10.023 14.861) 17.925 42.658 ( 0.000 19.122 -6.907) 20.331 43.018 ( 0.000 -15.769 -6.994) 17.250======================= Grid point 243 (86/180) =======================q-point: ( 0.09 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.595 ( 4.225 15.089 12.130) 19.816 3.726 ( 0.426 12.982 14.202) 19.246 4.526 ( -4.528 -7.267 5.002) 9.916 4.710 ( 1.473 -8.782 7.791) 11.832 5.609 ( -7.915 7.925 3.227) 11.656 6.104 ( 6.165 -2.087 -6.816) 9.424 6.893 ( -4.229 17.203 -3.393) 18.037 7.238 ( 9.421 21.482 5.380) 24.066 7.296 ( -0.485 -10.061 -4.461) 11.016 7.846 ( 4.224 -28.233 11.411) 30.743 9.110 ( 0.514 6.400 2.481) 6.883 9.315 ( 2.008 -8.538 -5.254) 10.224 13.906 ( 8.756 2.542 -0.562) 9.134 14.515 ( 34.376 -0.680 14.125) 37.171 15.820 ( -29.532 9.146 -28.597) 42.114 17.299 ( 28.913 -0.725 -21.895) 36.275 18.510 ( -18.562 6.763 20.683) 28.602 19.441 ( 11.554 -8.530 22.527) 26.716 21.146 ( -6.021 23.036 -24.251) 33.986 21.790 ( 2.448 -15.716 -14.419) 21.468 28.712 ( 0.190 9.543 21.357) 23.393 29.106 ( 7.960 -12.615 10.431) 18.201 30.233 ( -3.667 19.722 21.592) 29.472 30.657 ( -3.908 -20.390 16.833) 26.728 32.030 ( -3.431 9.454 -1.708) 10.201 32.251 ( -0.591 -4.524 -0.144) 4.564 33.712 ( -23.407 7.574 -21.592) 32.734 34.888 ( 31.095 3.182 -27.835) 41.855 35.557 ( -41.344 1.961 18.394) 45.294 37.229 ( 33.280 -8.620 19.654) 39.599 37.665 ( -40.247 -2.647 -19.140) 44.645 38.922 ( 9.105 -3.362 -5.712) 11.262 41.172 ( -5.910 0.744 10.224) 11.832 41.820 ( 13.632 0.883 13.892) 19.483 42.705 ( 4.592 11.381 -8.395) 14.869 43.069 ( 4.796 -11.174 -5.821) 13.481======================= Grid point 244 (87/180) =======================q-point: ( 0.18 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.668 ( -2.127 17.825 15.516) 23.728 3.747 ( 5.798 14.045 8.320) 17.323 4.440 ( -3.802 -14.222 2.625) 14.953 4.724 ( 0.232 -10.039 5.552) 11.474 5.477 ( -4.398 3.682 -1.937) 6.054 6.135 ( -3.571 -1.556 -8.211) 9.088 6.867 ( 0.864 13.713 -10.468) 17.274 7.265 ( -2.536 -5.893 -8.245) 10.448 7.446 ( 11.243 14.750 10.137) 21.135 7.978 ( 8.432 -19.283 13.879) 25.210 9.133 ( 1.968 4.354 4.752) 6.739 9.369 ( 3.049 -5.605 -1.117) 6.478 14.284 ( 26.174 3.553 -7.214) 27.382 15.205 ( 11.354 10.574 -1.288) 15.569 15.386 ( 6.870 -4.799 -6.086) 10.357 17.552 ( -6.789 1.348 8.808) 11.202 18.348 ( 5.393 1.086 -1.359) 5.667 19.607 ( 4.291 -1.030 20.095) 20.573 21.042 ( -2.449 11.794 -28.364) 30.815 21.836 ( 1.753 -7.479 -13.080) 15.169 28.744 ( 3.126 7.120 22.478) 23.785 29.307 ( 11.201 -9.817 10.794) 18.395 30.125 ( -6.938 19.647 24.269) 31.986 30.546 ( -6.588 -20.410 19.828) 29.208 31.928 ( -6.351 5.274 -2.108) 8.521 32.250 ( 1.024 -1.081 -1.925) 2.434 33.240 ( -22.883 5.023 -19.608) 30.551 34.763 ( -35.718 3.457 10.892) 37.501 35.586 ( 36.562 6.008 -28.973) 47.035 36.905 ( -32.575 -3.257 -17.766) 37.247 37.686 ( 7.623 -7.992 16.152) 19.567 38.921 ( -3.284 -3.623 7.814) 9.218 41.199 ( 6.696 -1.027 3.628) 7.685 42.031 ( 7.449 5.726 12.730) 15.822 42.831 ( 7.321 -0.264 -10.477) 12.784 43.193 ( 6.748 -3.838 -4.131) 8.794======================= Grid point 245 (88/180) =======================q-point: ( 0.27 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.564 ( -5.943 22.636 16.056) 28.381 3.872 ( 3.006 -2.115 8.766) 9.506 4.380 ( -0.665 -12.099 -1.110) 12.168 4.744 ( 1.946 -8.125 0.040) 8.355 5.436 ( 0.114 2.216 -5.285) 5.732 5.995 ( -8.996 -0.431 -7.613) 11.793 6.876 ( -0.597 6.882 -22.404) 23.445 7.179 ( -5.977 -5.796 -16.254) 18.263 7.708 ( 14.188 11.936 18.882) 26.464 8.161 ( 8.750 -10.420 16.790) 21.611 9.191 ( 3.674 2.977 7.602) 8.953 9.427 ( 2.344 -2.640 3.392) 4.896 14.730 ( 6.646 4.329 -9.610) 12.461 15.222 ( 21.919 8.424 -20.584) 31.226 15.830 ( 8.713 0.677 18.811) 20.742 17.427 ( 4.925 -5.060 20.838) 22.002 18.415 ( -4.281 3.791 -8.861) 10.546 19.614 ( -3.630 -0.297 19.622) 19.957 21.097 ( 8.054 5.210 -29.343) 30.871 21.857 ( 0.202 -2.400 -12.659) 12.886 28.837 ( 5.957 7.333 23.857) 25.659 29.536 ( 10.294 -9.567 8.436) 16.391 29.958 ( -8.782 19.202 30.271) 36.907 30.411 ( -6.195 -20.268 22.251) 30.729 31.788 ( -6.732 2.577 -6.079) 9.429 32.311 ( 5.353 0.896 -1.986) 5.780 32.785 ( -21.880 4.165 -19.386) 29.528 34.110 ( -28.644 2.401 6.856) 29.551 36.233 ( 5.376 1.307 -16.278) 17.193 36.508 ( 15.210 2.805 -27.652) 31.683 37.506 ( -21.158 -4.990 15.468) 26.680 38.921 ( 0.988 -4.001 5.001) 6.480 41.378 ( 10.276 -2.000 4.722) 11.484 42.133 ( 2.553 3.458 13.098) 13.785 42.989 ( 7.979 -2.985 -10.840) 13.787 43.314 ( 4.622 -0.444 -3.645) 5.903======================= Grid point 246 (89/180) =======================q-point: ( 0.36 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.472 ( -2.406 14.349 15.905) 21.556 3.801 ( -8.516 -15.355 12.893) 21.784 4.472 ( 8.647 0.262 -6.394) 10.758 4.786 ( 1.430 -5.488 -5.691) 8.035 5.466 ( 2.507 0.482 -6.163) 6.671 5.806 ( -9.001 -0.135 -7.153) 11.498 6.850 ( -1.409 2.661 -28.917) 29.073 7.036 ( -7.448 -5.226 -23.126) 24.851 7.994 ( 13.192 8.150 22.160) 27.047 8.303 ( 4.603 -4.303 19.246) 20.252 9.276 ( 4.445 2.427 9.744) 10.982 9.454 ( 0.183 -0.292 7.076) 7.084 14.752 ( 2.466 4.723 -4.848) 7.204 15.659 ( -19.266 3.922 16.706) 25.800 15.928 ( 39.448 7.534 -19.161) 44.498 17.754 ( 13.566 -5.315 11.272) 18.421 18.211 ( -6.448 3.646 -0.772) 7.448 19.447 ( -12.966 -3.810 20.840) 24.838 21.330 ( 13.303 3.462 -25.092) 28.610 21.839 ( -2.189 0.417 -13.471) 13.654 28.981 ( 8.140 8.723 24.296) 27.067 29.600 ( -7.121 2.231 10.198) 12.636 29.893 ( 5.660 4.742 32.216) 33.052 30.299 ( -5.031 -18.637 24.103) 30.880 31.690 ( -1.947 1.254 -13.037) 13.241 32.356 ( -20.067 2.081 -19.892) 28.332 32.478 ( 11.151 1.723 -0.844) 11.315 33.583 ( -23.643 1.825 4.392) 24.116 36.098 ( -2.924 -2.179 -5.158) 6.317 36.984 ( -23.042 -0.812 13.020) 26.479 37.230 ( 34.782 3.651 -29.062) 45.473 38.842 ( -10.117 -1.080 -6.585) 12.119 41.608 ( 12.074 -3.220 9.355) 15.610 42.133 ( -2.499 -0.754 13.819) 14.063 43.146 ( 7.186 -1.495 -9.344) 11.882 43.371 ( 0.902 0.366 -4.102) 4.216======================= Grid point 247 (90/180) =======================q-point: ( 0.45 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.483 ( 3.606 1.428 15.421) 15.901 3.612 ( -8.672 -10.525 14.551) 19.942 4.656 ( 8.156 1.252 -8.422) 11.790 4.774 ( -3.118 -1.941 -8.411) 9.178 5.534 ( 4.292 -0.896 -6.342) 7.710 5.645 ( -6.684 -0.781 -6.847) 9.600 6.841 ( 1.006 -0.424 -30.452) 30.472 6.903 ( -5.110 -3.289 -28.196) 28.843 8.220 ( 8.630 4.099 22.323) 24.282 8.331 ( -2.068 0.130 21.140) 21.241 9.364 ( 4.069 2.071 10.415) 11.372 9.432 ( -2.356 1.268 9.482) 9.852 14.900 ( 12.163 4.277 3.568) 13.378 15.234 ( -20.017 4.038 11.227) 23.303 16.726 ( 38.076 7.693 -18.615) 43.075 17.441 ( -30.995 6.754 -15.750) 35.417 18.572 ( 27.623 -6.786 22.756) 36.426 19.089 ( -22.058 -6.218 22.390) 32.039 21.584 ( 10.865 2.830 -19.696) 22.671 21.757 ( -6.109 1.952 -15.734) 16.990 29.167 ( 10.065 9.800 23.151) 27.080 29.387 ( -11.418 9.390 19.926) 24.811 30.053 ( 7.902 -7.163 26.057) 28.156 30.192 ( -5.804 -14.196 25.374) 29.649 31.742 ( 7.450 0.258 -18.931) 20.346 31.985 ( -15.809 0.416 -20.700) 26.050 32.761 ( 16.474 1.786 1.168) 16.611 33.137 ( -20.320 1.801 2.826) 20.594 36.181 ( 10.684 -1.957 2.526) 11.152 36.507 ( -20.734 -2.094 9.781) 23.021 37.940 ( 32.161 4.280 -25.375) 41.189 38.504 ( -22.720 2.124 -17.342) 28.661 41.847 ( 10.878 -3.878 12.645) 17.125 42.034 ( -7.204 -3.218 13.872) 15.959 43.273 ( 5.233 -0.244 -7.152) 8.865 43.353 ( -2.519 0.307 -5.285) 5.862======================= Grid point 297 (91/180) =======================q-point: ( 0.00 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.654 ( 0.000 0.000 37.351) 37.351 2.803 ( 0.000 0.000 39.073) 39.073 4.112 ( 0.000 0.000 25.575) 25.575 4.994 ( 0.000 0.000 -26.500) 26.500 5.692 ( 0.000 0.000 -13.955) 13.955 5.799 ( 0.000 0.000 32.075) 32.075 5.808 ( 0.000 0.000 -20.459) 20.459 6.332 ( 0.000 0.000 25.687) 25.687 8.143 ( 0.000 0.000 -13.932) 13.932 9.206 ( 0.000 0.000 22.226) 22.226 9.226 ( 0.000 0.000 -24.244) 24.244 9.757 ( 0.000 0.000 7.097) 7.097 14.066 ( 0.000 0.000 -5.364) 5.364 14.286 ( 0.000 0.000 19.400) 19.400 14.704 ( 0.000 0.000 -17.813) 17.813 16.643 ( 0.000 0.000 -35.082) 35.082 16.976 ( 0.000 0.000 22.145) 22.145 18.192 ( 0.000 0.000 -2.773) 2.773 20.797 ( 0.000 0.000 24.865) 24.865 22.384 ( 0.000 0.000 -13.454) 13.454 29.550 ( 0.000 0.000 17.563) 17.563 30.056 ( 0.000 0.000 -7.276) 7.276 30.288 ( 0.000 0.000 6.640) 6.640 30.353 ( 0.000 0.000 -7.370) 7.370 30.785 ( 0.000 0.000 -19.765) 19.765 31.478 ( 0.000 0.000 -10.379) 10.379 32.985 ( 0.000 0.000 23.644) 23.644 34.228 ( 0.000 0.000 -4.608) 4.608 36.817 ( 0.000 0.000 17.828) 17.828 38.065 ( 0.000 0.000 -10.996) 10.996 39.434 ( 0.000 0.000 1.440) 1.440 39.508 ( 0.000 0.000 -0.311) 0.311 40.491 ( 0.000 0.000 -1.157) 1.157 40.575 ( 0.000 0.000 -2.515) 2.515 42.445 ( 0.000 0.000 14.923) 14.923 43.530 ( 0.000 0.000 -9.603) 9.603======================= Grid point 298 (92/180) =======================q-point: ( 0.09 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.753 ( -3.164 0.000 38.491) 38.620 2.817 ( 15.320 0.000 34.354) 37.616 4.336 ( 20.096 0.000 19.371) 27.912 4.986 ( -0.891 0.000 -26.588) 26.603 5.588 ( -11.426 0.000 -5.333) 12.609 5.616 ( -6.146 0.000 -11.850) 13.349 6.051 ( 14.542 0.000 17.741) 22.939 6.424 ( 7.441 0.000 22.206) 23.420 8.093 ( -4.074 0.000 -11.751) 12.437 9.062 ( -7.250 0.000 1.817) 7.475 9.358 ( 6.221 0.000 -3.209) 7.000 9.718 ( -4.015 0.000 7.704) 8.688 13.843 ( -14.861 0.000 6.106) 16.066 13.960 ( -8.461 0.000 -6.430) 10.627 15.639 ( 59.051 0.000 -13.101) 60.486 16.662 ( -4.237 0.000 -3.822) 5.706 17.172 ( 23.134 0.000 -5.291) 23.731 18.158 ( -2.704 0.000 -3.107) 4.119 20.784 ( -1.186 0.000 23.608) 23.637 22.318 ( -6.433 0.000 -13.425) 14.886 29.363 ( -14.104 0.000 14.547) 20.261 29.925 ( -4.237 0.000 17.558) 18.062 30.421 ( 6.476 0.000 -7.565) 9.958 30.691 ( 25.657 0.000 -9.020) 27.197 30.863 ( 7.521 0.000 -18.652) 20.111 31.486 ( 0.959 0.000 -10.062) 10.108 32.912 ( -7.227 0.000 24.362) 25.412 34.176 ( -5.065 0.000 -4.909) 7.053 36.172 ( -46.530 0.000 26.159) 53.379 37.700 ( -30.046 0.000 -12.470) 32.531 39.384 ( -10.251 0.000 5.260) 11.522 39.831 ( 9.827 0.000 -7.644) 12.450 40.694 ( 20.374 0.000 -2.621) 20.542 40.701 ( 20.936 0.000 -3.364) 21.205 42.529 ( 7.486 0.000 13.655) 15.572 43.548 ( 1.295 0.000 -9.249) 9.340======================= Grid point 299 (93/180) =======================q-point: ( 0.18 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.743 ( 3.195 0.000 31.701) 31.862 3.235 ( 24.656 0.000 27.458) 36.904 4.841 ( 27.795 0.000 8.028) 28.931 4.956 ( -2.008 0.000 -27.061) 27.136 5.321 ( -14.850 0.000 -12.605) 19.479 5.494 ( -5.019 0.000 -11.181) 12.256 6.404 ( 19.933 0.000 26.318) 33.015 6.566 ( 5.201 0.000 18.131) 18.862 8.006 ( -4.236 0.000 -9.112) 10.048 8.938 ( -4.412 0.000 2.919) 5.290 9.462 ( 3.745 0.000 -2.395) 4.445 9.589 ( -8.775 0.000 9.894) 13.225 13.792 ( 8.438 0.000 -0.874) 8.483 13.810 ( -4.647 0.000 -5.971) 7.566 16.442 ( -16.202 0.000 12.911) 20.717 16.709 ( 38.009 0.000 -16.838) 41.572 17.830 ( 37.982 0.000 -15.181) 40.904 18.178 ( 10.044 0.000 -6.017) 11.709 20.750 ( -2.244 0.000 20.034) 20.160 22.127 ( -12.288 0.000 -13.294) 18.103 29.110 ( -9.563 0.000 20.770) 22.866 29.871 ( -1.908 0.000 28.102) 28.167 30.600 ( 10.660 0.000 -8.433) 13.592 31.076 ( 12.613 0.000 -15.181) 19.737 31.133 ( 15.215 0.000 -6.408) 16.510 31.532 ( 4.170 0.000 -9.364) 10.251 32.691 ( -14.115 0.000 26.908) 30.386 34.025 ( -9.598 0.000 -5.868) 11.250 35.442 ( -18.897 0.000 20.489) 27.872 37.039 ( -31.974 0.000 -14.010) 34.909 38.979 ( -27.580 0.000 8.393) 28.829 39.643 ( -21.288 0.000 -8.408) 22.888 41.230 ( 29.321 0.000 -2.224) 29.405 41.380 ( 36.986 0.000 -8.134) 37.870 42.704 ( 8.620 0.000 10.970) 13.951 43.559 ( -0.649 0.000 -7.938) 7.964======================= Grid point 300 (94/180) =======================q-point: ( 0.27 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.898 ( 11.948 0.000 18.484) 22.009 3.768 ( 26.436 0.000 18.730) 32.398 4.907 ( -2.759 0.000 -27.920) 28.056 4.959 ( -18.608 0.000 -15.192) 24.022 5.433 ( -0.540 0.000 -10.881) 10.894 5.448 ( 29.139 0.000 -1.400) 29.172 6.594 ( -3.106 0.000 14.810) 15.132 6.830 ( 20.492 0.000 27.226) 34.076 7.923 ( -3.540 0.000 -6.017) 6.981 8.903 ( 1.256 0.000 4.619) 4.787 9.364 ( -13.197 0.000 13.293) 18.731 9.502 ( -0.005 0.000 -1.133) 1.133 13.811 ( 5.118 0.000 -2.408) 5.656 14.124 ( 22.938 0.000 -6.427) 23.822 16.032 ( -23.631 0.000 15.525) 28.274 16.962 ( -8.942 0.000 -11.214) 14.343 18.620 ( 38.209 0.000 -11.878) 40.012 18.728 ( 39.501 0.000 -13.404) 41.714 20.687 ( -4.260 0.000 14.801) 15.402 21.824 ( -17.444 0.000 -13.019) 21.766 28.991 ( -2.021 0.000 27.735) 27.809 29.820 ( -3.907 0.000 35.741) 35.954 30.831 ( 11.588 0.000 -9.859) 15.214 31.278 ( 0.829 0.000 5.736) 5.796 31.317 ( 9.187 0.000 -8.787) 12.712 31.700 ( 13.681 0.000 -10.308) 17.129 32.378 ( -15.827 0.000 27.075) 31.362 33.788 ( -13.817 0.000 -7.561) 15.751 35.465 ( 18.861 0.000 0.138) 18.861 36.485 ( -20.914 0.000 -13.071) 24.663 38.332 ( -34.837 0.000 9.015) 35.985 39.111 ( -29.904 0.000 -10.316) 31.634 41.808 ( 26.549 0.000 -0.770) 26.560 42.059 ( 29.254 0.000 -7.762) 30.266 42.849 ( 5.187 0.000 8.134) 9.647 43.512 ( -4.039 0.000 -6.144) 7.353======================= Grid point 301 (95/180) =======================q-point: ( 0.36 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.213 ( 18.514 0.000 4.657) 19.091 4.258 ( 20.630 0.000 6.274) 21.563 4.544 ( -21.707 0.000 -15.365) 26.595 4.843 ( -3.711 0.000 -27.167) 27.419 5.498 ( 7.674 0.000 -6.682) 10.176 6.033 ( 27.876 0.000 -5.897) 28.493 6.433 ( -12.393 0.000 11.726) 17.061 7.123 ( 4.356 0.000 12.255) 13.006 7.935 ( 7.870 0.000 7.978) 11.207 8.988 ( 6.749 0.000 5.556) 8.742 9.056 ( -17.101 0.000 17.108) 24.189 9.457 ( -4.354 0.000 0.835) 4.433 14.021 ( 15.321 0.000 2.732) 15.563 14.678 ( 30.585 0.000 -9.573) 32.048 15.505 ( -27.566 0.000 14.805) 31.290 16.583 ( -25.280 0.000 -9.840) 27.128 19.343 ( 32.272 0.000 -7.095) 33.042 19.556 ( 39.444 0.000 -14.284) 41.951 20.560 ( -8.644 0.000 8.891) 12.400 21.420 ( -22.314 0.000 -12.718) 25.684 29.025 ( 5.154 0.000 32.964) 33.365 29.683 ( -9.823 0.000 40.767) 41.934 31.058 ( 10.522 0.000 -10.230) 14.675 31.293 ( 3.245 0.000 13.561) 13.943 31.422 ( 1.514 0.000 -4.732) 4.968 32.053 ( -16.195 0.000 24.424) 29.306 32.078 ( 22.074 0.000 -11.212) 24.758 33.459 ( -18.581 0.000 -9.651) 20.938 36.068 ( 37.204 0.000 -13.082) 39.437 36.244 ( -1.880 0.000 -8.597) 8.800 37.604 ( -35.812 0.000 7.609) 36.612 38.450 ( -34.850 0.000 -13.401) 37.338 42.287 ( 20.345 0.000 0.610) 20.354 42.571 ( 21.421 0.000 -5.981) 22.241 42.901 ( -0.262 0.000 5.624) 5.630 43.395 ( -7.425 0.000 -4.760) 8.820======================= Grid point 302 (96/180) =======================q-point: ( 0.45 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.629 ( 21.970 0.000 -5.858) 22.738 4.089 ( -22.837 0.000 -12.346) 25.961 4.580 ( 11.285 0.000 -10.010) 15.085 4.747 ( -5.951 0.000 -21.817) 22.614 5.752 ( 16.527 0.000 1.925) 16.639 6.116 ( -17.909 0.000 8.197) 19.696 6.564 ( 23.910 0.000 -7.007) 24.916 6.979 ( -15.806 0.000 -3.749) 16.244 8.251 ( 20.274 0.000 20.714) 28.984 8.674 ( -20.266 0.000 20.437) 28.781 9.155 ( 8.992 0.000 4.948) 10.263 9.331 ( -7.834 0.000 3.111) 8.429 14.417 ( 23.195 0.000 7.898) 24.503 14.939 ( -27.436 0.000 12.112) 29.991 15.333 ( 33.153 0.000 -10.646) 34.820 15.997 ( -31.468 0.000 -10.382) 33.136 19.916 ( 24.004 0.000 -2.129) 24.099 20.297 ( 33.370 0.000 -13.283) 35.917 20.318 ( -15.589 0.000 3.144) 15.903 20.914 ( -27.498 0.000 -12.702) 30.290 29.191 ( 10.793 0.000 37.170) 38.705 29.441 ( -13.046 0.000 40.440) 42.492 31.253 ( 8.475 0.000 -8.405) 11.936 31.389 ( -4.499 0.000 -5.631) 7.207 31.445 ( 11.361 0.000 18.056) 21.333 31.726 ( -15.561 0.000 21.545) 26.577 32.555 ( 24.148 0.000 -11.317) 26.668 33.036 ( -22.714 0.000 -11.051) 25.259 36.412 ( 17.729 0.000 -1.972) 17.839 36.880 ( 41.098 0.000 -17.100) 44.514 36.918 ( -30.613 0.000 3.925) 30.863 37.699 ( -38.931 0.000 -16.258) 42.189 42.630 ( 13.396 0.000 1.977) 13.541 42.833 ( -6.589 0.000 3.585) 7.501 42.943 ( 15.429 0.000 -4.654) 16.116 43.209 ( -10.981 0.000 -4.226) 11.767======================= Grid point 308 (97/180) =======================q-point: ( 0.00 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.807 ( 0.000 13.716 34.342) 36.980 2.962 ( 0.000 14.682 36.266) 39.125 4.224 ( 0.000 10.462 21.887) 24.259 5.000 ( 0.000 -0.358 -24.364) 24.367 5.535 ( 0.000 -6.738 -13.125) 14.754 5.912 ( 0.000 10.815 30.846) 32.687 6.018 ( 0.000 12.687 -20.721) 24.296 6.281 ( 0.000 -4.718 25.833) 26.261 8.033 ( 0.000 -9.905 -12.171) 15.692 9.159 ( 0.000 -4.676 21.140) 21.651 9.229 ( 0.000 0.037 -24.238) 24.238 9.670 ( 0.000 -8.290 7.365) 11.089 14.253 ( 0.000 14.866 -6.008) 16.034 14.291 ( 0.000 0.380 18.686) 18.690 14.462 ( 0.000 -13.459 -3.428) 13.889 16.610 ( 0.000 -3.147 -34.840) 34.982 17.605 ( 0.000 49.657 1.240) 49.672 18.260 ( 0.000 7.627 -1.279) 7.734 20.734 ( 0.000 -6.115 24.845) 25.587 22.329 ( 0.000 -5.361 -13.625) 14.641 29.378 ( 0.000 -11.703 20.389) 23.509 29.935 ( 0.000 -10.069 -4.259) 10.933 30.092 ( 0.000 -0.597 22.930) 22.938 30.874 ( 0.000 6.818 -20.772) 21.862 30.976 ( 0.000 33.146 -23.136) 40.422 31.554 ( 0.000 10.503 -11.345) 15.460 32.927 ( 0.000 -5.277 24.195) 24.764 34.249 ( 0.000 1.706 -6.345) 6.570 36.789 ( 0.000 -2.550 18.414) 18.590 38.060 ( 0.000 -0.512 -11.369) 11.381 38.707 ( 0.000 -42.384 12.463) 44.178 39.399 ( 0.000 -19.884 -8.942) 21.802 40.810 ( 0.000 17.630 0.480) 17.636 40.939 ( 0.000 31.248 -4.099) 31.516 42.398 ( 0.000 -4.490 15.018) 15.675 43.485 ( 0.000 -4.379 -9.633) 10.581======================= Grid point 309 (98/180) =======================q-point: ( 0.09 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.843 ( -0.954 10.859 35.180) 36.830 3.000 ( 9.580 14.358 33.476) 37.664 4.427 ( 18.015 8.293 15.406) 25.113 4.981 ( -1.914 -1.334 -23.540) 23.655 5.480 ( -4.556 -3.797 -13.453) 14.702 5.743 ( -11.704 7.741 -1.440) 14.106 6.182 ( 13.041 10.422 19.711) 25.830 6.405 ( 9.187 -0.793 16.445) 18.854 7.991 ( -3.552 -9.366 -10.739) 14.686 9.042 ( -6.663 -2.377 4.724) 8.506 9.338 ( 5.934 -1.929 -6.889) 9.295 9.636 ( -3.349 -7.644 7.844) 11.453 13.830 ( -12.684 -0.570 6.197) 14.128 14.133 ( -9.954 15.370 -7.876) 19.934 15.336 ( 49.479 -17.451 5.966) 52.804 16.817 ( 15.440 3.250 -26.621) 30.946 17.679 ( 10.255 45.681 -5.550) 47.146 18.210 ( -4.309 5.895 -1.287) 7.415 20.730 ( -0.466 -5.334 23.255) 23.864 22.267 ( -6.125 -5.060 -13.581) 15.735 29.279 ( -8.018 -5.921 20.683) 22.960 29.923 ( -0.644 -1.518 13.313) 13.415 30.191 ( 8.159 -10.309 8.158) 15.472 30.891 ( 4.520 8.223 -16.765) 19.212 31.122 ( 9.101 18.939 -21.489) 30.055 31.620 ( 7.009 16.558 -13.329) 22.382 32.856 ( -7.050 -5.145 24.736) 26.231 34.206 ( -4.179 2.673 -7.008) 8.586 36.139 ( -45.774 -3.026 25.759) 52.611 37.667 ( -31.343 -3.202 -12.911) 34.049 38.991 ( 9.901 -29.868 7.646) 32.382 39.579 ( 9.148 -19.066 -7.955) 22.594 40.889 ( 11.188 15.073 0.198) 18.772 41.028 ( 11.189 23.170 -3.950) 26.032 42.511 ( 9.679 -1.772 12.271) 15.729 43.498 ( 1.011 -4.698 -9.161) 10.345======================= Grid point 310 (99/180) =======================q-point: ( 0.18 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.829 ( 1.997 8.910 31.289) 32.594 3.336 ( 21.338 8.809 26.834) 35.398 4.854 ( 17.587 0.788 -2.714) 17.813 4.929 ( 0.947 -2.730 -15.495) 15.762 5.369 ( -6.386 4.565 -17.245) 18.947 5.509 ( -9.642 2.396 -7.284) 12.320 6.484 ( 12.223 2.276 28.450) 31.048 6.602 ( 12.726 8.155 12.857) 19.843 7.909 ( -4.213 -9.069 -8.660) 13.228 8.930 ( -3.810 -1.133 4.097) 5.708 9.435 ( 3.238 -2.587 -2.535) 4.859 9.532 ( -6.640 -4.953 8.437) 11.824 13.809 ( 8.241 3.446 -1.016) 8.990 13.963 ( -3.981 12.291 -7.128) 14.755 16.098 ( 16.783 -15.493 13.614) 26.590 17.098 ( 13.776 16.329 -17.475) 27.601 18.028 ( 10.961 17.278 -6.982) 21.620 18.256 ( 24.191 11.395 -12.619) 29.569 20.713 ( -1.295 -3.577 19.017) 19.394 22.086 ( -11.515 -4.013 -13.431) 18.141 29.119 ( -6.664 1.128 24.202) 25.128 29.911 ( -0.826 3.646 26.874) 27.133 30.387 ( 10.660 -15.867 -0.548) 19.123 31.063 ( 11.503 1.890 -11.893) 16.653 31.248 ( 3.687 6.404 -13.183) 15.112 31.808 ( 8.748 22.470 -13.695) 27.730 32.643 ( -13.396 -4.336 26.472) 29.984 34.071 ( -9.631 4.451 -7.783) 13.158 35.432 ( -17.330 -0.885 19.308) 25.960 36.994 ( -32.019 -4.323 -14.309) 35.336 38.842 ( -21.480 -12.109 8.661) 26.135 39.532 ( -13.807 -10.129 -8.321) 19.039 41.297 ( 25.610 6.033 -0.694) 26.320 41.438 ( 26.964 5.240 -3.802) 27.730 42.725 ( 10.254 1.812 7.800) 13.011 43.506 ( -0.632 -4.953 -7.790) 9.253======================= Grid point 311 (100/180) =======================q-point: ( 0.27 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.956 ( 10.477 5.896 19.645) 23.031 3.815 ( 24.710 4.204 19.467) 31.737 4.766 ( -10.655 -6.883 -18.714) 22.608 5.097 ( -6.008 5.562 -21.562) 23.064 5.374 ( 0.398 -3.400 -11.375) 11.879 5.478 ( 18.715 2.218 -2.736) 19.043 6.551 ( -2.993 -3.690 13.861) 14.653 6.969 ( 18.330 11.795 22.065) 31.015 7.833 ( -2.271 -8.184 -4.180) 9.466 8.900 ( 0.811 -0.636 5.796) 5.887 9.348 ( -9.861 -1.256 12.969) 16.341 9.485 ( 0.184 -1.383 -2.307) 2.696 13.909 ( 4.597 9.028 -2.927) 10.545 14.206 ( 23.940 7.630 -7.006) 26.085 16.019 ( -17.716 0.257 17.247) 24.726 17.165 ( -11.650 16.629 -12.948) 24.081 18.413 ( 31.988 -10.399 -2.788) 33.751 18.989 ( 39.071 16.129 -18.568) 46.168 20.668 ( -3.502 -1.866 13.184) 13.768 21.805 ( -15.934 -1.835 -13.226) 20.789 29.033 ( -1.489 3.882 28.576) 28.876 29.868 ( -4.160 4.603 35.594) 36.130 30.614 ( 11.631 -16.832 -2.089) 20.566 31.243 ( 3.325 -2.756 -10.794) 11.626 31.385 ( 11.939 6.274 -3.025) 13.822 31.906 ( 1.559 14.035 -4.921) 14.954 32.359 ( -13.046 -1.023 23.072) 26.525 33.806 ( -15.956 2.004 -7.177) 17.610 35.498 ( 20.982 3.149 -1.859) 21.299 36.447 ( -20.246 -3.591 -13.085) 24.372 38.264 ( -33.048 -6.087 9.824) 35.010 39.104 ( -26.583 -1.039 -10.650) 28.656 41.822 ( 24.718 0.775 0.197) 24.731 41.995 ( 25.812 -4.466 -2.310) 26.297 42.898 ( 6.434 3.893 3.942) 8.491 43.464 ( -3.608 -4.487 -6.118) 8.401======================= Grid point 312 (101/180) =======================q-point: ( 0.36 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.241 ( 17.087 2.940 6.512) 18.521 4.290 ( 19.958 2.058 8.763) 21.894 4.468 ( -16.983 -4.285 -14.557) 22.775 4.966 ( -5.812 9.025 -26.884) 28.948 5.402 ( 4.928 -7.904 -7.247) 11.802 5.911 ( 17.152 -10.928 -0.640) 20.347 6.430 ( -5.519 -0.878 4.256) 7.025 7.170 ( -1.652 2.259 3.697) 4.637 7.921 ( 13.146 0.024 13.850) 19.095 8.916 ( -2.996 -3.793 11.995) 12.932 9.159 ( -5.319 6.671 10.880) 13.826 9.454 ( -3.399 -0.179 0.488) 3.439 14.103 ( 14.468 7.621 2.606) 16.559 14.784 ( 31.739 9.803 -10.332) 34.788 15.549 ( -26.483 4.521 15.920) 31.229 16.749 ( -26.543 14.845 -11.220) 32.416 19.123 ( 34.366 -14.135 -0.797) 37.168 19.733 ( 32.527 9.872 -13.637) 36.625 20.561 ( -6.804 0.448 5.604) 8.826 21.443 ( -19.655 1.979 -13.300) 23.814 29.066 ( 4.817 3.955 32.391) 32.986 29.719 ( -10.447 3.416 39.767) 41.258 30.863 ( 13.029 -14.065 0.804) 19.189 31.307 ( 4.109 0.599 -7.067) 8.196 31.557 ( 2.192 8.747 0.988) 9.072 31.882 ( -7.002 -9.309 17.899) 21.355 32.237 ( 6.570 8.114 -2.145) 10.658 33.441 ( -19.782 -1.310 -8.575) 21.601 36.126 ( 36.276 4.931 -13.892) 39.157 36.225 ( 0.414 -1.360 -8.783) 8.898 37.563 ( -34.767 -3.667 8.607) 36.004 38.490 ( -33.364 3.347 -13.923) 36.308 42.271 ( 18.991 -2.052 1.666) 19.174 42.447 ( 17.951 -8.729 0.690) 19.973 42.986 ( 2.511 5.600 -0.057) 6.137 43.361 ( -6.484 -3.179 -4.993) 8.780======================= Grid point 313 (102/180) =======================q-point: ( 0.45 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.628 ( 20.486 0.211 -3.800) 20.836 4.054 ( -20.893 -2.607 -10.229) 23.408 4.646 ( 12.653 5.756 -8.181) 16.130 4.840 ( -7.182 7.882 -21.474) 23.976 5.601 ( 14.190 -13.088 1.388) 19.354 5.913 ( -13.683 -16.916 8.482) 23.352 6.587 ( 18.322 0.057 -9.857) 20.805 6.960 ( -16.220 -2.922 -8.007) 18.323 8.290 ( 20.261 3.894 22.073) 30.214 8.680 ( -17.167 0.787 20.387) 26.664 9.209 ( 6.720 4.955 5.179) 9.826 9.351 ( -6.445 2.015 3.081) 7.423 14.484 ( 22.559 6.297 8.245) 24.830 14.995 ( -26.948 5.427 12.838) 30.339 15.461 ( 34.023 11.728 -11.674) 37.834 16.143 ( -32.343 13.239 -11.616) 36.828 19.744 ( 25.894 -13.098 2.645) 29.139 20.113 ( -5.028 -10.116 3.953) 11.968 20.560 ( 16.329 13.517 -13.706) 25.242 21.009 ( -22.807 7.804 -14.277) 28.016 29.224 ( 10.422 3.239 35.864) 37.488 29.470 ( -13.067 2.821 38.886) 41.119 31.142 ( 13.999 -8.885 2.669) 16.794 31.364 ( -3.542 -0.632 -5.185) 6.311 31.530 ( 1.080 3.219 8.078) 8.763 31.672 ( -10.284 -4.184 17.424) 20.661 32.561 ( 20.998 0.853 -9.811) 23.193 33.010 ( -22.234 -1.997 -9.774) 24.369 36.395 ( 17.718 -1.617 -1.245) 17.835 36.886 ( -22.996 -2.043 3.038) 23.285 36.955 ( 33.998 6.137 -16.159) 38.139 37.760 ( -38.256 5.424 -16.914) 42.179 42.580 ( 10.985 -4.846 3.568) 12.526 42.678 ( 3.069 -9.739 4.713) 11.246 43.048 ( 5.455 5.338 -4.930) 9.086 43.205 ( -8.515 -0.354 -5.010) 9.886======================= Grid point 319 (103/180) =======================q-point: ( 0.00 0.22 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.158 ( 0.000 18.795 28.643) 34.259 3.356 ( 0.000 21.929 29.854) 37.042 4.510 ( 0.000 15.991 12.530) 20.315 4.930 ( 0.000 -6.656 -14.156) 15.643 5.505 ( 0.000 3.955 -15.072) 15.583 6.127 ( 0.000 -5.869 21.850) 22.625 6.258 ( 0.000 18.539 31.510) 36.559 6.281 ( 0.000 12.610 -20.571) 24.128 7.774 ( 0.000 -14.365 -10.152) 17.590 9.003 ( 0.000 -11.115 18.088) 21.230 9.214 ( 0.000 -1.724 -23.112) 23.177 9.440 ( 0.000 -12.751 7.835) 14.966 14.165 ( 0.000 -7.406 8.414) 11.209 14.296 ( 0.000 -0.142 16.862) 16.863 14.780 ( 0.000 27.265 -11.649) 29.649 16.514 ( 0.000 -6.162 -34.100) 34.652 18.350 ( 0.000 16.413 3.465) 16.775 18.858 ( 0.000 52.467 -16.980) 55.146 20.541 ( 0.000 -12.768 24.727) 27.829 22.160 ( 0.000 -11.192 -14.322) 18.177 29.204 ( 0.000 -4.579 29.632) 29.984 29.700 ( 0.000 -11.771 2.202) 11.975 30.178 ( 0.000 7.557 25.593) 26.686 30.996 ( 0.000 3.767 -20.000) 20.352 31.414 ( 0.000 12.580 -15.333) 19.834 32.109 ( 0.000 38.835 -26.296) 46.901 32.787 ( 0.000 -7.810 23.977) 25.217 34.274 ( 0.000 -0.027 -10.624) 10.624 36.724 ( 0.000 -3.275 19.702) 19.973 37.900 ( 0.000 -34.250 17.264) 38.355 38.044 ( 0.000 -0.907 -12.454) 12.487 38.926 ( 0.000 -23.486 -12.746) 26.722 41.152 ( 0.000 14.926 5.300) 15.839 41.561 ( 0.000 27.584 -6.616) 28.366 42.266 ( 0.000 -8.034 15.211) 17.202 43.351 ( 0.000 -8.503 -9.676) 12.881======================= Grid point 320 (104/180) =======================q-point: ( 0.09 0.22 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.182 ( -0.795 20.239 28.280) 34.785 3.344 ( 3.387 18.338 30.235) 35.524 4.642 ( 11.487 11.396 6.967) 17.617 4.892 ( -3.461 -7.037 -13.718) 15.801 5.499 ( -0.410 5.297 -15.426) 16.315 5.893 ( -14.877 4.550 -0.279) 15.559 6.322 ( 7.749 3.680 24.082) 25.564 6.552 ( 15.977 16.378 6.997) 23.926 7.738 ( -3.300 -14.455 -9.636) 17.683 8.937 ( -4.514 -8.642 10.284) 14.171 9.281 ( 4.719 -3.507 -12.655) 13.954 9.431 ( -0.793 -11.017 7.065) 13.112 13.838 ( -6.967 1.568 6.167) 9.435 14.517 ( -12.156 19.332 -10.101) 24.971 15.096 ( 41.295 -5.541 12.937) 43.627 16.825 ( 24.845 -0.815 -27.424) 37.014 18.309 ( -3.193 11.982 2.968) 12.750 18.810 ( -3.423 50.999 -17.487) 54.023 20.563 ( 1.964 -10.708 21.880) 24.439 22.107 ( -5.073 -10.442 -14.236) 18.370 29.192 ( -1.191 -2.050 29.644) 29.739 29.768 ( 6.432 -11.429 3.176) 13.493 30.171 ( -0.694 6.385 25.837) 26.623 31.007 ( 1.383 2.564 -17.438) 17.680 31.418 ( 0.585 12.342 -14.416) 18.987 32.194 ( 6.832 33.923 -25.152) 42.779 32.721 ( -6.482 -7.440 24.145) 26.083 34.268 ( -0.548 2.809 -12.684) 13.003 36.061 ( -43.802 -4.052 24.407) 50.307 37.567 ( -34.476 -6.357 -13.964) 37.736 38.371 ( 24.669 -27.959 11.491) 39.016 39.183 ( 13.159 -17.748 -9.265) 23.958 41.176 ( 4.360 11.502 5.213) 13.360 41.502 ( -1.149 21.597 -2.023) 21.722 42.462 ( 15.023 -2.586 8.522) 17.464 43.360 ( 0.667 -8.559 -9.034) 12.463======================= Grid point 321 (105/180) =======================q-point: ( 0.18 0.22 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.123 ( -2.017 19.262 28.540) 34.491 3.554 ( 15.228 11.487 24.875) 31.346 4.797 ( -5.935 -6.991 -13.858) 16.618 4.910 ( 13.506 1.947 -2.905) 13.951 5.489 ( -1.179 5.396 -10.349) 11.730 5.601 ( -12.524 6.178 -12.170) 18.524 6.461 ( 3.992 -1.750 14.445) 15.088 6.908 ( 18.686 18.333 16.934) 31.177 7.656 ( -4.038 -14.562 -7.359) 16.808 8.866 ( -2.022 -5.909 7.707) 9.920 9.352 ( 1.060 -5.290 4.012) 6.724 9.423 ( 0.766 -4.784 -1.970) 5.230 13.920 ( 13.487 6.844 -1.298) 15.180 14.275 ( -8.055 16.730 -10.881) 21.521 15.884 ( 28.932 -6.334 18.327) 34.829 17.290 ( 18.354 5.434 -15.631) 24.713 18.238 ( -4.861 6.448 2.273) 8.389 18.863 ( 13.728 38.936 -20.916) 46.281 20.603 ( 1.512 -6.904 15.553) 17.083 21.961 ( -9.105 -8.064 -14.007) 18.550 29.161 ( -1.600 2.830 29.737) 29.915 29.944 ( 9.967 -6.614 8.927) 14.926 30.148 ( -1.228 0.018 23.630) 23.662 31.060 ( 3.744 -2.232 -12.771) 13.494 31.454 ( 3.507 12.680 -11.589) 17.533 32.282 ( -1.344 20.026 -15.290) 25.232 32.541 ( -9.663 -3.918 21.536) 23.927 34.209 ( -8.299 8.785 -13.939) 18.449 35.410 ( -13.197 -1.170 16.435) 21.110 36.868 ( -31.814 -7.559 -14.720) 35.860 38.537 ( -9.503 -16.225 9.807) 21.207 39.281 ( -3.370 -12.667 -6.842) 14.786 41.389 ( 15.862 1.599 4.356) 16.527 41.632 ( 14.210 13.673 0.829) 19.737 42.759 ( 12.889 0.895 2.249) 13.114 43.367 ( -0.266 -8.172 -7.555) 11.132======================= Grid point 322 (106/180) =======================q-point: ( 0.27 0.22 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.155 ( 5.572 13.621 21.473) 26.032 3.918 ( 19.745 5.207 19.854) 28.481 4.641 ( -9.703 -5.546 -13.661) 17.651 5.127 ( 5.939 -1.664 -15.436) 16.622 5.343 ( -8.321 -0.317 -6.585) 10.616 5.544 ( 3.863 4.033 -11.796) 13.051 6.456 ( -3.939 -5.005 3.749) 7.391 7.205 ( 5.169 5.762 4.504) 8.956 7.663 ( 9.260 -3.287 9.701) 13.808 8.856 ( 0.588 -4.031 9.785) 10.599 9.329 ( -2.138 -0.368 11.574) 11.776 9.454 ( 1.319 -1.402 -4.682) 5.062 14.148 ( 4.139 13.001 -4.412) 14.340 14.417 ( 25.672 12.098 -8.934) 29.753 16.076 ( -9.018 5.002 20.041) 22.538 17.503 ( -4.779 13.257 -14.379) 20.133 18.260 ( 16.761 -3.431 7.412) 18.645 19.355 ( 29.716 19.095 -17.721) 39.518 20.611 ( -0.902 -3.562 7.656) 8.492 21.747 ( -11.754 -3.813 -13.891) 18.592 29.141 ( 0.078 6.253 30.023) 30.667 30.006 ( -5.850 8.461 34.269) 35.779 30.258 ( 13.377 -16.225 3.421) 21.305 31.149 ( 4.956 -6.005 -10.475) 13.052 31.573 ( 7.744 10.600 -5.333) 14.169 32.078 ( -16.095 1.591 9.932) 18.980 32.404 ( -4.377 5.428 2.938) 7.566 33.884 ( -20.975 5.702 -6.803) 22.776 35.591 ( 26.094 5.693 -6.980) 27.605 36.346 ( -18.137 -5.822 -12.719) 22.904 38.109 ( -28.757 -8.271 11.539) 32.071 39.054 ( -18.515 -3.849 -10.360) 21.563 41.764 ( 19.778 -6.257 5.501) 21.461 41.999 ( 19.273 5.500 2.298) 20.174 42.966 ( 7.443 1.686 -1.565) 7.791 43.343 ( -2.109 -6.559 -6.127) 9.221======================= Grid point 323 (107/180) =======================q-point: ( 0.36 0.22 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.346 ( 12.749 7.437 11.069) 18.448 4.270 ( 3.581 -3.789 6.516) 8.345 4.453 ( 2.039 1.728 -3.380) 4.309 5.139 ( -3.145 6.561 -25.098) 26.131 5.247 ( -1.264 -5.746 -8.524) 10.357 5.634 ( 1.267 -13.973 3.710) 14.512 6.380 ( -0.291 -3.945 -9.540) 10.328 7.104 ( -11.336 -9.646 -11.371) 18.731 8.012 ( 20.565 9.231 23.759) 32.751 8.850 ( -2.621 -2.801 15.202) 15.678 9.297 ( -0.172 6.305 9.048) 11.030 9.459 ( -1.038 0.826 -0.588) 1.451 14.310 ( 12.762 11.649 2.026) 17.398 15.049 ( 34.308 14.774 -12.484) 39.385 15.693 ( -24.929 9.015 17.938) 32.008 17.121 ( -27.389 19.227 -13.993) 36.272 18.839 ( 32.907 -12.777 9.957) 36.678 19.880 ( 16.931 3.964 -2.328) 17.544 20.600 ( 2.681 3.660 -6.858) 8.223 21.488 ( -13.755 2.066 -14.555) 20.132 29.182 ( 4.333 7.090 30.781) 31.883 29.815 ( -11.967 5.357 35.135) 37.501 30.575 ( 17.048 -12.670 7.256) 22.445 31.272 ( 7.370 -4.967 -10.340) 13.635 31.681 ( -6.773 -5.641 18.881) 20.837 31.745 ( -8.686 5.719 -1.852) 10.563 32.377 ( 3.791 4.581 -4.648) 7.548 33.437 ( -22.338 1.633 -6.166) 23.231 36.140 ( 4.744 -3.274 -7.177) 9.205 36.308 ( 34.937 8.779 -17.445) 40.025 37.472 ( -32.362 -4.792 10.778) 34.445 38.562 ( -29.074 3.088 -14.741) 32.743 42.146 ( 16.887 -9.517 6.785) 20.537 42.343 ( 13.435 -0.798 4.991) 14.354 43.069 ( 3.102 1.507 -4.655) 5.793 43.283 ( -3.675 -3.476 -5.584) 7.534======================= Grid point 324 (108/180) =======================q-point: ( 0.45 0.22 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.652 ( 16.859 2.343 1.657) 17.102 4.008 ( -17.421 -1.660 -4.636) 18.103 4.765 ( 16.240 3.666 1.201) 16.692 5.019 ( -8.824 7.828 -16.373) 20.180 5.307 ( 7.348 -12.290 -6.683) 15.802 5.516 ( -11.023 -19.147 4.807) 22.611 6.521 ( 12.853 -6.468 -16.497) 21.891 6.822 ( -15.373 -10.471 -15.148) 23.988 8.411 ( 17.767 7.375 23.400) 30.293 8.710 ( -11.193 2.016 20.492) 23.436 9.336 ( 3.541 6.706 5.562) 9.405 9.412 ( -3.358 3.785 2.859) 5.811 14.662 ( 21.387 10.278 8.735) 25.285 15.155 ( -26.321 9.575 14.164) 31.386 15.772 ( 35.942 17.091 -14.302) 42.290 16.488 ( -33.856 18.683 -14.472) 41.288 19.463 ( 27.087 -13.274 11.746) 32.371 19.893 ( -13.499 -10.641 12.204) 21.080 20.828 ( 17.358 11.904 -19.046) 28.385 21.183 ( -16.406 8.150 -16.654) 24.757 29.323 ( 9.457 6.276 32.158) 34.102 29.555 ( -12.792 5.218 33.906) 36.613 30.939 ( 18.562 -10.191 11.257) 23.982 31.316 ( -17.293 -5.762 9.216) 20.425 31.465 ( 8.251 -6.541 0.760) 10.556 31.652 ( -7.913 0.560 -2.485) 8.313 32.596 ( 16.521 2.490 -6.997) 18.114 32.990 ( -21.262 0.862 -6.735) 22.319 36.351 ( 17.939 -2.535 0.750) 18.133 36.830 ( -26.836 -3.061 6.906) 27.879 37.122 ( 38.282 9.222 -19.892) 44.116 37.896 ( -36.001 7.098 -18.404) 41.051 42.422 ( 9.608 -9.711 7.936) 15.798 42.507 ( 1.946 -6.619 7.886) 10.478 43.122 ( 2.957 1.615 -6.934) 7.709 43.199 ( -4.315 0.075 -6.371) 7.695======================= Grid point 330 (109/180) =======================q-point: ( 0.00 0.33 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.537 ( 0.000 17.275 22.676) 28.506 3.795 ( 0.000 18.431 21.641) 28.426 4.776 ( 0.000 -6.322 -0.892) 6.385 4.809 ( 0.000 10.824 4.296) 11.645 5.646 ( 0.000 8.114 -15.764) 17.729 5.963 ( 0.000 -7.506 19.592) 20.980 6.536 ( 0.000 12.145 -17.642) 21.418 6.760 ( 0.000 27.451 24.984) 37.118 7.467 ( 0.000 -14.523 -9.095) 17.136 8.661 ( 0.000 -22.336 15.785) 27.351 9.160 ( 0.000 -3.162 -19.209) 19.467 9.210 ( 0.000 -8.403 5.544) 10.067 14.100 ( 0.000 0.343 11.497) 11.502 14.278 ( 0.000 -1.715 14.713) 14.813 15.342 ( 0.000 25.565 -19.036) 31.874 16.356 ( 0.000 -9.225 -32.743) 34.018 18.719 ( 0.000 20.982 12.573) 24.461 19.909 ( 0.000 46.796 -23.318) 52.284 20.206 ( 0.000 -19.594 24.280) 31.201 21.861 ( 0.000 -18.035 -15.940) 24.069 29.168 ( 0.000 0.411 31.170) 31.173 29.474 ( 0.000 -9.798 9.953) 13.966 30.376 ( 0.000 11.163 20.417) 23.270 30.999 ( 0.000 -3.687 -13.271) 13.773 31.698 ( 0.000 16.082 -6.173) 17.227 32.612 ( 0.000 -9.288 19.800) 21.871 32.909 ( 0.000 36.312 -29.139) 46.558 34.217 ( 0.000 -6.198 -15.706) 16.885 36.680 ( 0.000 -0.391 20.370) 20.374 37.311 ( 0.000 -23.015 17.675) 29.019 38.029 ( 0.000 -0.267 -14.030) 14.032 38.485 ( 0.000 -18.426 -15.064) 23.800 41.424 ( 0.000 11.683 9.829) 15.268 42.074 ( 0.000 22.455 -7.718) 23.744 42.077 ( 0.000 -9.990 15.232) 18.216 43.137 ( 0.000 -12.204 -9.601) 15.528======================= Grid point 331 (110/180) =======================q-point: ( 0.09 0.33 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.584 ( 4.024 17.096 21.142) 27.485 3.745 ( -3.864 19.320 23.519) 30.682 4.730 ( -3.693 -6.174 -0.291) 7.200 4.853 ( 3.660 6.708 0.309) 7.647 5.626 ( -2.171 4.755 -10.302) 11.552 5.893 ( -6.854 -2.043 4.421) 8.408 6.485 ( -1.062 11.197 -4.251) 12.024 6.969 ( 15.291 22.340 16.562) 31.736 7.428 ( -3.299 -13.991 -7.980) 16.441 8.649 ( -0.610 -19.556 14.256) 24.208 9.194 ( 2.520 -4.832 -6.774) 8.694 9.246 ( 3.710 -5.896 -2.728) 7.482 13.890 ( -1.998 3.086 5.383) 6.518 14.801 ( 15.201 6.134 5.527) 17.299 15.117 ( 3.835 7.261 -7.860) 11.368 16.810 ( 33.112 -0.436 -26.008) 42.107 18.599 ( -10.557 16.556 12.539) 23.297 19.771 ( -9.722 37.059 -14.697) 41.035 20.321 ( 7.729 -9.098 13.003) 17.652 21.832 ( -2.711 -16.255 -15.719) 22.775 29.184 ( 1.512 0.856 31.246) 31.295 29.543 ( 6.545 -9.582 9.797) 15.186 30.361 ( -1.475 11.143 21.687) 24.426 30.992 ( -0.645 -4.071 -11.617) 12.327 31.702 ( 0.491 15.462 -6.168) 16.654 32.555 ( -5.657 -8.514 19.269) 21.812 32.861 ( -5.220 28.052 -25.338) 38.160 34.305 ( 8.273 0.614 -20.690) 22.291 35.989 ( -41.860 -2.649 22.030) 47.377 37.421 ( -37.272 -7.077 -14.895) 40.757 37.881 ( 29.172 -19.013 14.437) 37.695 38.882 ( 17.778 -11.028 -10.638) 23.470 41.353 ( -3.753 5.919 10.639) 12.740 41.890 ( -2.788 15.120 2.975) 15.660 42.429 ( 17.643 0.370 1.287) 17.694 43.154 ( 1.606 -11.077 -8.825) 14.254======================= Grid point 332 (111/180) =======================q-point: ( 0.18 0.33 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.580 ( -4.771 23.220 22.487) 32.674 3.786 ( 9.018 10.628 20.697) 24.953 4.641 ( -4.921 -6.837 -3.292) 9.044 4.947 ( 5.306 0.149 -3.756) 6.503 5.524 ( -8.570 -1.929 3.636) 9.507 5.744 ( -6.020 6.732 -18.755) 20.816 6.469 ( -2.274 3.098 -4.940) 6.259 7.198 ( -0.378 -3.062 -6.520) 7.213 7.457 ( 13.419 8.454 16.395) 22.811 8.663 ( 2.255 -13.745 13.655) 19.506 9.252 ( 3.259 -3.915 4.593) 6.859 9.343 ( 5.170 -2.881 -7.083) 9.230 14.067 ( 17.896 6.637 -2.621) 19.266 14.603 ( -11.040 14.083 -15.500) 23.674 15.784 ( 35.458 -4.166 19.618) 40.737 17.397 ( 20.326 5.155 -12.669) 24.500 18.382 ( -8.251 7.651 8.538) 14.125 19.621 ( -2.411 31.240 -13.157) 33.983 20.454 ( 5.010 -5.975 5.219) 9.383 21.756 ( -4.570 -11.469 -15.216) 19.595 29.225 ( 2.347 3.091 31.218) 31.459 29.724 ( 10.769 -10.381 9.082) 17.499 30.311 ( -3.530 11.353 25.095) 27.769 30.979 ( -0.268 -5.852 -7.870) 9.811 31.726 ( 1.985 13.271 -4.767) 14.240 32.379 ( -11.732 -5.016 15.569) 20.130 32.693 ( -10.651 12.335 -15.884) 22.757 34.418 ( -5.491 10.621 -22.569) 25.540 35.389 ( -7.539 -0.769 13.014) 15.059 36.705 ( -30.920 -7.469 -14.450) 34.937 38.215 ( 0.592 -14.015 12.167) 18.570 39.055 ( 0.979 -8.575 -5.354) 10.157 41.389 ( 7.790 -0.941 9.536) 12.349 41.948 ( 7.972 15.913 2.612) 17.989 42.740 ( 12.377 -3.261 -2.161) 12.981 43.195 ( 2.204 -7.642 -7.235) 10.752======================= Grid point 333 (112/180) =======================q-point: ( 0.27 0.33 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.507 ( -1.232 19.656 21.262) 28.981 4.017 ( 12.536 4.272 16.595) 21.232 4.527 ( -6.412 -5.435 -5.943) 10.294 5.052 ( 4.318 -7.083 -4.858) 9.613 5.325 ( -8.941 -0.716 1.020) 9.027 5.637 ( -5.689 4.984 -18.606) 20.084 6.376 ( -5.931 -1.985 -14.110) 15.434 7.058 ( -10.135 -14.739 -15.756) 23.838 7.846 ( 20.913 16.012 25.017) 36.326 8.731 ( 3.925 -7.881 15.344) 17.691 9.325 ( 3.751 -0.491 7.560) 8.454 9.438 ( 3.877 -0.027 -4.359) 5.834 14.401 ( 5.426 10.589 -6.135) 13.387 14.670 ( 25.960 11.420 -12.288) 30.909 16.188 ( 0.015 4.788 21.327) 21.858 17.669 ( 7.960 3.844 -6.091) 10.735 18.276 ( -0.304 3.673 8.663) 9.414 19.745 ( 12.628 17.295 -6.261) 22.311 20.533 ( 3.847 -3.412 -4.978) 7.157 21.652 ( -5.715 -5.153 -14.987) 16.847 29.276 ( 2.775 6.550 30.230) 31.056 29.939 ( 7.596 -12.539 9.421) 17.427 30.237 ( -1.310 11.784 28.003) 30.410 30.997 ( 2.426 -8.918 -3.711) 9.960 31.762 ( -0.481 6.731 5.006) 8.403 32.098 ( -14.192 2.633 1.010) 14.469 32.477 ( -8.972 0.539 -6.560) 11.128 34.025 ( -25.763 7.036 -6.690) 27.532 35.721 ( 30.814 6.429 -13.245) 34.151 36.227 ( -14.619 -5.149 -11.686) 19.411 37.941 ( -23.849 -7.590 13.425) 28.401 38.961 ( -10.888 -4.541 -8.574) 14.584 41.635 ( 15.194 -5.455 10.056) 19.020 42.167 ( 11.825 9.934 4.540) 16.097 42.927 ( 6.339 -6.021 -5.208) 10.176 43.237 ( 1.706 -2.848 -6.113) 6.957======================= Grid point 334 (113/180) =======================q-point: ( 0.36 0.33 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.550 ( 5.570 12.196 16.133) 20.977 4.184 ( -2.486 -4.192 8.098) 9.451 4.461 ( 6.021 -1.257 1.560) 6.345 5.075 ( -2.704 -14.121 4.260) 14.996 5.228 ( -0.432 3.654 -14.759) 15.211 5.492 ( -8.499 2.121 -12.525) 15.285 6.287 ( -1.408 -4.318 -22.938) 23.384 6.820 ( -12.871 -15.977 -18.838) 27.853 8.251 ( 18.255 12.418 24.719) 33.143 8.791 ( 1.183 -3.106 18.005) 18.309 9.398 ( 3.384 3.006 7.533) 8.788 9.493 ( 1.520 2.566 -0.752) 3.075 14.546 ( 11.474 10.270 0.938) 15.428 15.347 ( 36.741 12.992 -15.501) 41.940 15.890 ( -23.910 9.089 19.125) 31.939 17.474 ( -24.652 13.778 -15.743) 32.333 18.618 ( 29.141 -8.210 19.671) 36.105 19.908 ( -1.235 -0.483 13.447) 13.512 20.701 ( 14.093 5.348 -20.946) 25.806 21.519 ( -7.658 0.853 -15.811) 17.588 29.348 ( 4.578 8.612 28.363) 29.994 29.890 ( -9.565 -0.093 21.676) 23.693 30.403 ( 15.113 -1.827 19.310) 24.589 31.086 ( 6.091 -12.506 2.671) 14.164 31.580 ( -15.764 -2.009 15.060) 21.894 31.878 ( -10.094 4.450 -14.794) 18.454 32.419 ( 5.263 0.305 -5.103) 7.337 33.511 ( -24.140 4.821 -4.475) 25.020 36.067 ( 3.996 -3.335 -4.688) 7.005 36.498 ( 38.152 8.823 -21.516) 44.681 37.374 ( -29.742 -4.453 12.999) 32.762 38.606 ( -23.528 1.203 -14.774) 27.808 41.958 ( 15.550 -7.759 11.204) 20.677 42.362 ( 6.093 2.040 8.588) 10.725 43.027 ( 4.332 -4.711 -7.903) 10.170 43.252 ( -0.526 0.141 -6.196) 6.220======================= Grid point 335 (114/180) =======================q-point: ( 0.45 0.33 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.725 ( 11.166 4.500 9.834) 15.545 3.980 ( -13.052 -1.426 4.663) 13.933 4.711 ( 14.219 -7.602 9.225) 18.576 4.960 ( -9.067 -14.160 9.132) 19.134 5.247 ( 1.947 4.676 -20.090) 20.718 5.327 ( -6.393 3.586 -15.681) 17.309 6.348 ( 7.290 -9.152 -24.400) 27.060 6.557 ( -12.368 -14.078 -21.772) 28.726 8.569 ( 12.607 7.281 23.030) 27.246 8.753 ( -5.382 1.787 20.726) 21.488 9.460 ( 2.633 4.735 5.637) 7.818 9.499 ( -0.957 4.299 2.740) 5.187 14.875 ( 20.580 9.534 8.688) 24.289 15.359 ( -26.165 9.296 14.899) 31.512 16.112 ( 37.623 14.541 -17.511) 43.972 16.852 ( -34.559 15.303 -17.482) 41.643 19.221 ( 27.717 -9.733 20.543) 35.846 19.694 ( -18.056 -8.146 19.692) 27.931 21.036 ( 16.498 7.944 -21.648) 28.354 21.325 ( -11.727 5.395 -18.148) 22.270 29.474 ( 7.994 7.961 26.600) 28.894 29.669 ( -10.889 5.216 25.131) 27.881 30.751 ( 18.202 -7.141 21.218) 28.853 31.101 ( -12.783 -13.242 29.178) 34.498 31.384 ( 5.517 -1.751 -16.157) 17.163 31.621 ( -13.932 -3.515 -13.165) 19.488 32.660 ( 16.571 3.438 -5.560) 17.814 33.049 ( -21.210 4.164 -4.850) 22.152 36.297 ( 18.305 -2.421 3.327) 18.762 36.769 ( -26.607 -2.683 9.824) 28.489 37.305 ( 37.567 7.826 -22.634) 44.551 38.029 ( -32.647 5.409 -19.822) 38.574 42.234 ( 11.076 -7.723 11.709) 17.873 42.388 ( -3.529 -4.793 11.340) 12.807 43.122 ( 4.914 -0.962 -8.543) 9.902 43.211 ( -3.431 0.663 -7.268) 8.064======================= Grid point 341 (115/180) =======================q-point: ( 0.00 0.44 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.851 ( 0.000 12.550 16.145) 20.449 4.004 ( 0.000 0.002 13.323) 13.323 4.756 ( 0.000 5.300 10.222) 11.514 4.887 ( 0.000 -3.451 6.966) 7.774 5.788 ( 0.000 4.925 -9.256) 10.485 5.857 ( 0.000 -2.940 6.048) 6.725 6.793 ( 0.000 13.026 -13.652) 18.870 7.061 ( 0.000 -10.255 -8.339) 13.217 7.480 ( 0.000 27.235 18.496) 32.922 8.109 ( 0.000 -30.103 17.504) 34.822 9.102 ( 0.000 -2.306 -2.378) 3.312 9.102 ( 0.000 -1.935 -11.896) 12.053 14.147 ( 0.000 3.573 12.221) 12.733 14.224 ( 0.000 -3.419 13.060) 13.500 15.802 ( 0.000 18.848 -25.920) 32.048 16.128 ( 0.000 -13.101 -30.325) 33.034 19.210 ( 0.000 25.793 19.299) 32.214 19.742 ( 0.000 -24.855 22.882) 33.784 20.764 ( 0.000 36.107 -21.848) 42.202 21.406 ( 0.000 -26.315 -18.649) 32.253 29.207 ( 0.000 3.230 25.981) 26.181 29.305 ( 0.000 -6.457 18.184) 19.296 30.620 ( 0.000 12.107 10.477) 16.011 30.853 ( 0.000 -9.846 -1.696) 9.991 32.058 ( 0.000 17.639 3.196) 17.927 32.384 ( 0.000 -13.368 12.091) 18.025 33.561 ( 0.000 26.443 -25.395) 36.663 33.995 ( 0.000 -15.659 -20.560) 25.844 36.733 ( 0.000 5.963 19.422) 20.317 36.935 ( 0.000 -13.797 17.999) 22.679 38.053 ( 0.000 3.204 -15.487) 15.815 38.187 ( 0.000 -10.296 -15.987) 19.015 41.649 ( 0.000 10.464 12.982) 16.674 41.864 ( 0.000 -10.442 14.655) 17.994 42.497 ( 0.000 18.707 -8.591) 20.586 42.850 ( 0.000 -15.503 -9.258) 18.057======================= Grid point 342 (116/180) =======================q-point: ( 0.09 0.44 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.876 ( 2.600 10.885 15.450) 19.077 4.004 ( -0.260 2.792 12.797) 13.101 4.709 ( -4.520 5.724 11.560) 13.668 4.876 ( -0.912 -5.094 5.628) 7.646 5.658 ( -8.884 -0.203 2.457) 9.219 5.894 ( 0.060 1.217 -10.041) 10.115 6.722 ( -5.802 10.508 -12.769) 17.525 7.063 ( -1.684 -11.032 -13.194) 17.281 7.575 ( 9.446 26.213 21.121) 34.963 8.162 ( 5.404 -26.259 17.912) 32.242 9.115 ( 2.467 -2.115 -3.860) 5.045 9.173 ( 5.420 -1.693 -7.390) 9.319 13.944 ( 0.330 1.593 4.437) 4.726 14.847 ( 38.067 0.399 17.844) 42.043 15.263 ( -25.731 4.331 -25.119) 36.219 16.807 ( 39.495 0.020 -25.291) 46.899 18.937 ( -21.000 12.809 20.407) 31.961 19.885 ( 8.715 -10.098 20.653) 24.586 20.648 ( -9.609 25.284 -23.670) 35.942 21.456 ( 3.906 -17.868 -17.670) 25.432 29.212 ( 1.513 1.386 26.815) 26.893 29.392 ( 7.243 -4.468 17.341) 19.317 30.606 ( -1.384 12.034 12.092) 17.116 30.844 ( -1.049 -9.758 -0.458) 9.825 32.040 ( -1.631 16.447 2.973) 16.793 32.344 ( -3.855 -12.433 11.588) 17.428 33.284 ( -19.557 11.325 -20.255) 30.348 34.298 ( 21.362 -0.745 -28.546) 35.662 35.956 ( -41.120 -0.668 19.570) 45.545 37.310 ( -39.133 -3.041 -15.560) 42.223 37.606 ( 30.529 -7.110 16.815) 35.571 38.732 ( 20.186 -3.612 -11.629) 23.575 41.431 ( -10.077 1.781 14.016) 17.354 42.081 ( 10.997 3.506 11.327) 16.171 42.515 ( 2.716 6.628 -9.703) 12.061 42.929 ( 6.818 -9.107 -7.717) 13.747======================= Grid point 343 (117/180) =======================q-point: ( 0.18 0.44 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.953 ( 3.256 9.037 11.983) 15.358 3.983 ( -0.531 7.437 14.571) 16.368 4.585 ( -7.182 3.342 11.968) 14.352 4.856 ( -1.030 -8.664 4.126) 9.651 5.471 ( -8.803 -1.657 3.284) 9.541 5.847 ( -4.230 2.755 -17.814) 18.516 6.573 ( -8.795 5.459 -17.029) 19.929 6.967 ( -7.475 -9.987 -17.751) 21.696 7.840 ( 15.596 19.803 23.383) 34.383 8.326 ( 10.189 -17.480 18.686) 27.542 9.193 ( 5.008 -1.588 0.158) 5.257 9.306 ( 7.216 -0.775 -4.946) 8.783 14.168 ( 20.182 2.735 -3.784) 20.715 14.820 ( -13.253 5.965 -20.178) 24.867 15.708 ( 39.223 -2.534 21.495) 44.799 17.482 ( 22.584 2.423 -13.138) 26.240 18.524 ( -15.962 4.627 15.984) 23.058 19.996 ( 1.943 4.402 15.887) 16.600 20.472 ( -5.272 7.064 -24.743) 26.266 21.528 ( 2.710 -8.381 -16.403) 18.618 29.279 ( 4.877 1.764 28.787) 29.250 29.565 ( 9.072 -4.470 14.739) 17.875 30.564 ( -2.810 12.495 15.884) 20.404 30.810 ( -2.125 -10.425 3.089) 11.078 31.995 ( -3.226 12.223 5.932) 13.964 32.239 ( -5.696 -8.599 6.305) 12.089 32.863 ( -21.245 4.101 -16.994) 27.513 34.594 ( -5.002 5.034 -28.026) 28.910 35.380 ( -2.152 -0.156 10.088) 10.316 36.590 ( -29.915 -3.117 -13.759) 33.075 38.001 ( 5.539 -5.782 14.617) 16.667 38.937 ( 2.121 -2.876 -4.907) 6.070 41.369 ( 4.127 -0.619 11.904) 12.614 42.251 ( 6.844 11.923 7.400) 15.612 42.616 ( 6.446 -7.632 -8.915) 13.389 43.085 ( 7.640 -2.614 -6.337) 10.264======================= Grid point 344 (118/180) =======================q-point: ( 0.27 0.44 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.894 ( -4.520 14.413 14.820) 21.162 4.084 ( 5.388 1.639 12.826) 14.008 4.441 ( -6.034 -1.992 8.328) 10.476 4.829 ( -1.725 -11.021 5.413) 12.399 5.331 ( -4.337 0.626 -3.102) 5.369 5.735 ( -6.568 3.448 -17.091) 18.631 6.384 ( -9.091 2.052 -24.607) 26.312 6.771 ( -11.431 -10.147 -21.865) 26.678 8.171 ( 16.251 13.224 24.125) 31.953 8.543 ( 10.336 -9.384 19.289) 23.811 9.309 ( 6.093 -0.643 3.201) 6.912 9.446 ( 6.141 0.459 -1.744) 6.400 14.556 ( 7.303 3.973 -7.149) 10.965 14.847 ( 25.053 4.869 -15.641) 29.933 16.250 ( 7.716 1.284 21.890) 23.245 17.716 ( 7.336 1.183 2.961) 7.999 18.346 ( -4.295 2.111 6.463) 8.042 20.002 ( -1.188 6.424 15.742) 17.043 20.493 ( 8.211 -0.386 -26.737) 27.972 21.558 ( 0.132 -2.989 -15.937) 16.215 29.396 ( 6.228 4.256 29.407) 30.359 29.733 ( 6.721 -6.435 11.811) 15.036 30.503 ( -2.376 13.483 20.032) 24.263 30.775 ( -0.736 -12.423 8.459) 15.048 31.858 ( -11.108 2.815 16.239) 19.875 32.164 ( -2.602 2.114 -12.248) 12.699 32.454 ( -16.385 -1.432 -11.469) 20.052 34.135 ( -28.174 2.968 -6.285) 29.019 35.826 ( 31.547 2.996 -17.579) 36.239 36.152 ( -10.282 -1.826 -11.081) 15.226 37.820 ( -20.442 -3.403 15.144) 25.667 38.890 ( -7.136 -1.933 -6.891) 10.107 41.555 ( 12.874 -2.023 11.741) 17.540 42.373 ( 4.482 8.436 9.407) 13.407 42.760 ( 7.844 -7.815 -10.398) 15.190 43.212 ( 4.486 -0.251 -6.180) 7.640======================= Grid point 345 (119/180) =======================q-point: ( 0.36 0.44 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.819 ( -2.165 12.006 17.012) 20.934 4.087 ( -5.944 -5.600 15.450) 17.476 4.427 ( 5.492 -1.257 2.715) 6.254 4.785 ( -2.714 -9.879 5.080) 11.435 5.299 ( 0.808 2.180 -9.601) 9.878 5.590 ( -7.454 4.392 -13.611) 16.128 6.233 ( -5.096 -0.533 -30.695) 31.120 6.524 ( -12.201 -10.173 -25.608) 30.135 8.474 ( 13.088 7.899 23.583) 28.104 8.715 ( 6.030 -3.867 19.929) 21.178 9.430 ( 5.520 0.532 4.760) 7.308 9.543 ( 3.111 1.510 1.216) 3.666 14.700 ( 10.946 4.085 -0.020) 11.683 15.543 ( 38.066 5.216 -18.064) 42.456 16.030 ( -23.129 3.756 19.359) 30.395 17.661 ( -19.685 4.334 -14.551) 24.860 18.510 ( 24.124 -2.370 24.039) 34.138 19.890 ( -10.587 -0.732 21.768) 24.217 20.789 ( 18.417 2.514 -27.176) 32.925 21.526 ( -3.580 0.035 -16.633) 17.014 29.518 ( 5.629 6.842 26.658) 28.091 29.801 ( -0.550 -5.899 11.760) 13.168 30.518 ( 4.922 11.133 24.387) 27.255 30.796 ( 2.771 -14.678 16.361) 22.154 31.582 ( -14.323 1.086 10.385) 17.725 31.909 ( -19.231 -0.492 -21.686) 28.989 32.426 ( 10.186 0.430 -5.564) 11.615 33.595 ( -24.758 2.459 -4.107) 25.216 36.016 ( 4.746 -1.345 -2.940) 5.743 36.639 ( 38.715 4.012 -24.677) 46.085 37.301 ( -28.283 -2.195 15.034) 32.106 38.618 ( -19.659 0.139 -14.229) 24.268 41.846 ( 14.710 -2.836 13.085) 19.891 42.406 ( -1.436 1.610 12.596) 12.779 42.934 ( 8.937 -3.007 -11.003) 14.490 43.260 ( 0.123 0.298 -6.668) 6.676======================= Grid point 346 (120/180) =======================q-point: ( 0.45 0.44 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.825 ( 2.954 4.639 17.402) 18.250 3.934 ( -7.349 -3.008 16.632) 18.431 4.578 ( 7.716 -3.733 1.616) 8.723 4.709 ( -5.000 -7.241 2.734) 9.215 5.348 ( 3.751 3.424 -11.930) 12.966 5.448 ( -6.109 4.770 -12.199) 14.453 6.196 ( 1.765 -4.279 -31.773) 32.108 6.305 ( -8.636 -8.223 -29.119) 31.466 8.687 ( 7.539 3.633 22.336) 23.852 8.772 ( -0.672 0.013 20.964) 20.974 9.525 ( 3.620 1.562 4.803) 6.214 9.569 ( -0.544 1.947 3.508) 4.049 15.021 ( 20.270 3.890 8.317) 22.253 15.502 ( -26.246 3.865 14.952) 30.453 16.329 ( 38.434 5.693 -19.925) 43.664 17.077 ( -34.365 5.795 -19.358) 39.866 19.079 ( 27.825 -3.621 26.137) 38.347 19.574 ( -20.258 -3.128 24.522) 31.961 21.148 ( 15.607 2.792 -22.545) 27.562 21.400 ( -9.116 1.817 -18.780) 20.955 29.627 ( 5.230 5.781 21.224) 22.610 29.733 ( -5.027 0.411 15.816) 16.601 30.688 ( 10.281 1.935 31.544) 33.234 30.838 ( -1.664 -10.962 32.833) 34.655 31.376 ( -2.299 0.549 -12.930) 13.145 31.538 ( -15.545 -3.305 -21.567) 26.790 32.719 ( 17.707 1.797 -5.787) 18.716 33.123 ( -21.684 2.216 -4.825) 22.325 36.260 ( 18.504 -1.024 5.221) 19.254 36.728 ( -26.486 -1.104 11.776) 29.006 37.422 ( 36.710 3.052 -24.457) 44.217 38.107 ( -30.031 1.958 -20.576) 36.456 42.122 ( 11.939 -2.870 13.745) 18.431 42.318 ( -7.134 -1.796 13.631) 15.490 43.103 ( 7.275 -0.569 -9.355) 11.865 43.219 ( -3.977 0.186 -7.710) 8.678======================= Grid point 396 (121/180) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.352 ( 0.000 0.000 30.602) 30.602 3.530 ( 0.000 0.000 31.717) 31.717 4.225 ( 0.000 0.000 -8.801) 8.801 4.520 ( 0.000 0.000 -20.535) 20.535 5.422 ( 0.000 0.000 -11.324) 11.324 5.446 ( 0.000 0.000 -13.723) 13.723 6.711 ( 0.000 0.000 50.404) 50.404 6.859 ( 0.000 0.000 25.227) 25.227 7.816 ( 0.000 0.000 -17.624) 17.624 8.615 ( 0.000 0.000 -35.512) 35.512 9.582 ( 0.000 0.000 14.388) 14.388 9.845 ( 0.000 0.000 1.142) 1.142 14.021 ( 0.000 0.000 1.312) 1.312 14.366 ( 0.000 0.000 -14.630) 14.630 14.742 ( 0.000 0.000 24.981) 24.981 15.944 ( 0.000 0.000 -32.991) 32.991 17.419 ( 0.000 0.000 20.580) 20.580 18.065 ( 0.000 0.000 -9.724) 9.724 21.276 ( 0.000 0.000 22.031) 22.031 22.073 ( 0.000 0.000 -16.836) 16.836 29.858 ( 0.000 0.000 11.863) 11.863 30.002 ( 0.000 0.000 1.966) 1.966 30.202 ( 0.000 0.000 -7.328) 7.328 30.408 ( 0.000 0.000 -16.536) 16.536 30.507 ( 0.000 0.000 14.933) 14.933 31.213 ( 0.000 0.000 -15.410) 15.410 33.435 ( 0.000 0.000 20.229) 20.229 34.075 ( 0.000 0.000 -10.378) 10.378 37.184 ( 0.000 0.000 17.621) 17.621 37.819 ( 0.000 0.000 -13.123) 13.123 39.462 ( 0.000 0.000 1.251) 1.251 39.499 ( 0.000 0.000 -0.558) 0.558 40.478 ( 0.000 0.000 -0.082) 0.082 40.526 ( 0.000 0.000 -2.205) 2.205 42.752 ( 0.000 0.000 14.885) 14.885 43.309 ( 0.000 0.000 -11.905) 11.905======================= Grid point 397 (122/180) =======================q-point: ( 0.09 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.464 ( 10.542 0.000 28.236) 30.139 3.466 ( -5.076 0.000 30.402) 30.823 4.391 ( 14.947 0.000 -8.681) 17.285 4.517 ( -0.366 0.000 -19.558) 19.561 5.330 ( -10.492 0.000 -12.152) 16.055 5.355 ( -5.912 0.000 -11.879) 13.269 6.846 ( 12.300 0.000 47.546) 49.111 6.908 ( 4.121 0.000 23.972) 24.324 7.796 ( -1.757 0.000 -16.920) 17.011 8.616 ( 0.319 0.000 -33.021) 33.022 9.587 ( 0.395 0.000 12.955) 12.961 9.819 ( -2.697 0.000 1.748) 3.214 13.879 ( -10.290 0.000 -1.412) 10.386 13.915 ( -17.970 0.000 0.634) 17.981 15.554 ( 51.211 0.000 4.793) 51.435 16.263 ( 25.175 0.000 -24.669) 35.247 17.411 ( 1.204 0.000 18.061) 18.101 18.027 ( -3.119 0.000 -9.738) 10.225 21.241 ( -3.413 0.000 21.059) 21.334 22.011 ( -6.065 0.000 -16.499) 17.579 29.644 ( -9.720 0.000 13.440) 16.586 30.223 ( 2.867 0.000 -12.510) 12.834 30.270 ( 11.919 0.000 13.485) 17.997 30.548 ( 12.645 0.000 -10.760) 16.603 30.615 ( 13.022 0.000 3.848) 13.579 31.227 ( 1.465 0.000 -15.228) 15.298 33.371 ( -6.308 0.000 20.411) 21.364 34.017 ( -5.618 0.000 -10.613) 12.008 36.667 ( -40.320 0.000 22.219) 46.037 37.420 ( -32.427 0.000 -14.969) 35.716 39.490 ( -5.433 0.000 5.097) 7.450 39.700 ( 4.764 0.000 -5.557) 7.320 40.651 ( 19.347 0.000 -1.489) 19.405 40.651 ( 18.487 0.000 -1.582) 18.555 42.812 ( 5.310 0.000 13.795) 14.782 43.336 ( 2.220 0.000 -11.360) 11.575======================= Grid point 398 (123/180) =======================q-point: ( 0.18 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.369 ( -3.725 0.000 28.152) 28.398 3.747 ( 16.019 0.000 20.295) 25.855 4.501 ( -1.343 0.000 -16.122) 16.177 4.766 ( 18.838 0.000 -12.195) 22.441 5.072 ( -12.038 0.000 -8.481) 14.726 5.227 ( -5.240 0.000 -13.175) 14.179 6.980 ( 1.649 0.000 21.054) 21.118 7.154 ( 16.075 0.000 40.913) 43.958 7.760 ( -0.932 0.000 -14.436) 14.466 8.644 ( 2.922 0.000 -26.197) 26.360 9.592 ( -0.055 0.000 9.490) 9.490 9.732 ( -5.924 0.000 3.761) 7.016 13.732 ( -2.535 0.000 -1.700) 3.052 13.766 ( 2.840 0.000 -1.660) 3.289 16.504 ( 35.151 0.000 -3.694) 35.345 16.587 ( -0.508 0.000 0.467) 0.691 17.678 ( 29.296 0.000 1.056) 29.315 18.025 ( 7.762 0.000 -9.152) 12.000 21.141 ( -6.369 0.000 18.247) 19.327 21.831 ( -11.494 0.000 -15.461) 19.265 29.518 ( -2.773 0.000 19.714) 19.908 30.327 ( 7.187 0.000 -17.875) 19.266 30.414 ( 4.611 0.000 24.943) 25.366 30.879 ( 18.771 0.000 -3.930) 19.178 30.999 ( 20.410 0.000 -6.013) 21.277 31.283 ( 4.448 0.000 -15.031) 15.675 33.182 ( -12.108 0.000 21.223) 24.433 33.850 ( -10.729 0.000 -11.302) 15.583 35.899 ( -29.801 0.000 22.910) 37.590 36.725 ( -32.524 0.000 -16.826) 36.618 39.147 ( -25.958 0.000 8.046) 27.177 39.474 ( -22.644 0.000 -8.133) 24.060 41.199 ( 30.856 0.000 -0.668) 30.863 41.259 ( 34.882 0.000 -4.024) 35.114 42.933 ( 5.764 0.000 11.340) 12.721 43.376 ( 1.133 0.000 -9.833) 9.898======================= Grid point 399 (124/180) =======================q-point: ( 0.27 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.337 ( 0.979 0.000 22.991) 23.012 4.048 ( 11.852 0.000 2.743) 12.165 4.460 ( -2.764 0.000 -11.005) 11.347 4.671 ( -17.430 0.000 -11.683) 20.984 5.210 ( 5.251 0.000 -8.646) 10.115 5.320 ( 25.479 0.000 -8.902) 26.990 6.936 ( -6.411 0.000 17.505) 18.642 7.355 ( -0.051 0.000 13.975) 13.975 7.860 ( 13.636 0.000 7.151) 15.397 8.750 ( 7.512 0.000 -17.240) 18.805 9.574 ( -2.017 0.000 5.593) 5.946 9.576 ( -9.444 0.000 7.035) 11.776 13.804 ( 9.713 0.000 1.748) 9.869 13.993 ( 18.429 0.000 -6.288) 19.472 16.326 ( -21.161 0.000 12.878) 24.771 16.749 ( -8.805 0.000 -9.599) 13.026 18.442 ( 40.849 0.000 -5.196) 41.178 18.516 ( 37.539 0.000 -7.731) 38.326 20.981 ( -9.512 0.000 14.033) 16.953 21.548 ( -16.302 0.000 -13.767) 21.337 29.526 ( 3.517 0.000 25.201) 25.445 30.488 ( 2.010 0.000 29.444) 29.512 30.503 ( 9.928 0.000 -20.918) 23.155 31.224 ( 11.140 0.000 -1.703) 11.269 31.334 ( 11.929 0.000 0.111) 11.930 31.454 ( 15.120 0.000 -13.678) 20.389 32.891 ( -16.119 0.000 22.281) 27.501 33.585 ( -15.301 0.000 -12.244) 19.597 35.590 ( 0.697 0.000 11.324) 11.346 36.197 ( -17.540 0.000 -15.007) 23.084 38.515 ( -34.976 0.000 8.901) 36.091 38.900 ( -32.506 0.000 -10.116) 34.044 41.809 ( 27.994 0.000 0.944) 28.010 41.929 ( 29.880 0.000 -5.084) 30.309 43.021 ( 2.479 0.000 8.624) 8.973 43.367 ( -2.180 0.000 -7.833) 8.131======================= Grid point 400 (125/180) =======================q-point: ( 0.36 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.419 ( 7.235 0.000 14.806) 16.479 4.200 ( 3.912 0.000 -16.251) 16.715 4.299 ( -18.500 0.000 -7.628) 20.011 4.388 ( -4.039 0.000 -11.978) 12.641 5.464 ( 18.693 0.000 4.203) 19.159 5.858 ( 26.678 0.000 -10.402) 28.634 6.717 ( -14.857 0.000 14.856) 21.010 7.194 ( -13.576 0.000 -4.678) 14.359 8.241 ( 21.088 0.000 19.891) 28.989 8.939 ( 10.631 0.000 -9.517) 14.268 9.347 ( -13.149 0.000 10.956) 17.115 9.501 ( -5.240 0.000 2.205) 5.685 14.115 ( 20.403 0.000 6.428) 21.391 14.475 ( 28.052 0.000 -10.064) 29.803 15.810 ( -28.480 0.000 14.762) 32.079 16.360 ( -26.084 0.000 -11.836) 28.644 19.237 ( 36.331 0.000 -2.990) 36.454 19.330 ( 39.501 0.000 -7.909) 40.285 20.744 ( -14.075 0.000 9.216) 16.824 21.168 ( -21.160 0.000 -11.732) 24.195 29.659 ( 9.477 0.000 29.381) 30.872 30.443 ( -7.344 0.000 32.848) 33.659 30.725 ( 11.802 0.000 -21.224) 24.285 31.307 ( -1.271 0.000 -8.451) 8.546 31.539 ( 10.526 0.000 10.065) 14.564 31.866 ( 22.668 0.000 -9.195) 24.462 32.540 ( -18.140 0.000 21.994) 28.510 33.230 ( -19.501 0.000 -12.736) 23.292 35.894 ( 26.903 0.000 -3.459) 27.124 36.066 ( 5.093 0.000 -8.529) 9.934 37.765 ( -37.933 0.000 8.275) 38.825 38.183 ( -37.592 0.000 -12.401) 39.585 42.315 ( 21.547 0.000 2.112) 21.650 42.460 ( 22.419 0.000 -4.874) 22.942 43.023 ( -2.494 0.000 6.235) 6.716 43.283 ( -6.161 0.000 -6.060) 8.642======================= Grid point 401 (126/180) =======================q-point: ( 0.45 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.628 ( 13.011 0.000 5.812) 14.250 3.935 ( -16.897 0.000 -1.941) 17.008 4.254 ( 2.228 0.000 -21.026) 21.143 4.310 ( -3.409 0.000 -17.684) 18.009 5.901 ( 22.830 0.000 11.008) 25.346 6.351 ( -20.669 0.000 13.286) 24.571 6.384 ( 24.663 0.000 -10.387) 26.761 6.845 ( -20.333 0.000 -9.062) 22.261 8.664 ( 20.019 0.000 18.644) 27.356 9.041 ( -16.889 0.000 15.009) 22.595 9.161 ( 10.740 0.000 -4.330) 11.580 9.360 ( -8.573 0.000 -0.817) 8.612 14.609 ( 27.517 0.000 10.678) 29.516 15.098 ( 32.412 0.000 -12.164) 34.619 15.204 ( -30.314 0.000 13.635) 33.239 15.760 ( -31.926 0.000 -12.645) 34.339 19.898 ( 28.473 0.000 0.492) 28.477 20.073 ( 33.290 0.000 -8.582) 34.379 20.395 ( -20.582 0.000 4.574) 21.084 20.682 ( -26.774 0.000 -9.869) 28.535 29.903 ( 14.138 0.000 32.296) 35.255 30.206 ( -14.637 0.000 33.697) 36.739 30.974 ( 12.235 0.000 -18.688) 22.337 31.197 ( -8.964 0.000 -13.928) 16.563 31.809 ( 15.911 0.000 16.739) 23.094 32.164 ( -18.451 0.000 20.244) 27.391 32.336 ( 23.259 0.000 -10.312) 25.442 32.802 ( -22.318 0.000 -11.995) 25.337 36.383 ( 24.811 0.000 -0.443) 24.815 36.580 ( 38.326 0.000 -11.590) 40.040 37.010 ( -35.300 0.000 5.427) 35.715 37.388 ( -40.142 0.000 -13.611) 42.387 42.682 ( 14.685 0.000 3.131) 15.015 42.847 ( 15.871 0.000 -4.633) 16.533 42.915 ( -8.276 0.000 4.415) 9.380 43.114 ( -10.577 0.000 -4.960) 11.683======================= Grid point 407 (127/180) =======================q-point: ( 0.00 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.459 ( 0.000 9.824 29.039) 30.656 3.641 ( 0.000 10.200 29.581) 31.290 4.305 ( 0.000 7.486 -9.049) 11.745 4.564 ( 0.000 3.966 -19.069) 19.477 5.317 ( 0.000 -3.416 -6.272) 7.142 5.618 ( 0.000 10.262 -17.744) 20.498 6.736 ( 0.000 -0.883 37.424) 37.435 6.854 ( 0.000 2.925 35.901) 36.020 7.728 ( 0.000 -8.207 -17.054) 18.925 8.625 ( 0.000 0.849 -34.873) 34.883 9.517 ( 0.000 -6.312 13.732) 15.113 9.763 ( 0.000 -7.828 1.420) 7.956 14.176 ( 0.000 13.604 -1.035) 13.643 14.340 ( 0.000 -1.194 -7.155) 7.254 14.733 ( 0.000 -0.868 24.397) 24.413 15.917 ( 0.000 -2.584 -32.660) 32.762 17.749 ( 0.000 29.543 10.791) 31.452 18.175 ( 0.000 11.041 -6.979) 13.062 21.213 ( 0.000 -6.125 22.057) 22.891 22.015 ( 0.000 -5.729 -16.999) 17.938 29.783 ( 0.000 -2.310 19.128) 19.267 29.945 ( 0.000 -4.655 5.108) 6.911 30.464 ( 0.000 4.568 -18.632) 19.183 30.530 ( 0.000 2.095 14.925) 15.071 30.547 ( 0.000 26.130 -13.774) 29.538 31.285 ( 0.000 8.486 -15.170) 17.382 33.391 ( 0.000 -4.192 20.972) 21.387 34.067 ( 0.000 -0.963 -11.533) 11.573 37.165 ( 0.000 -1.802 17.892) 17.983 37.807 ( 0.000 -1.091 -13.350) 13.395 38.920 ( 0.000 -35.295 8.857) 36.389 39.235 ( 0.000 -24.808 -7.454) 25.904 40.818 ( 0.000 21.434 0.431) 21.438 40.872 ( 0.000 27.822 -2.546) 27.939 42.706 ( 0.000 -4.400 14.907) 15.543 43.263 ( 0.000 -4.411 -11.916) 12.706======================= Grid point 408 (128/180) =======================q-point: ( 0.09 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.499 ( 0.634 7.069 28.576) 29.444 3.636 ( 3.552 11.964 27.608) 30.298 4.435 ( 10.929 4.256 -10.311) 15.616 4.567 ( 0.893 4.345 -17.157) 17.721 5.245 ( -6.588 -2.465 -7.311) 10.145 5.500 ( -10.203 8.602 -15.426) 20.398 6.829 ( 6.348 -4.337 26.286) 27.387 6.955 ( 10.620 7.191 42.155) 44.063 7.708 ( -1.792 -8.284 -16.565) 18.607 8.629 ( 0.677 1.174 -32.086) 32.115 9.526 ( 0.817 -5.818 12.235) 13.573 9.741 ( -2.175 -7.297 2.009) 7.875 13.927 ( -16.505 1.543 3.012) 16.848 14.012 ( -11.682 11.680 -3.836) 16.959 15.493 ( 48.249 -4.571 10.876) 49.670 16.276 ( 29.001 0.661 -25.476) 38.607 17.736 ( 0.171 28.956 8.445) 30.163 18.125 ( -4.313 9.943 -6.854) 12.824 21.182 ( -3.000 -5.691 21.010) 21.973 21.956 ( -5.735 -5.402 -16.650) 18.420 29.675 ( -6.602 3.050 18.019) 19.431 30.040 ( 6.579 -7.676 2.902) 10.518 30.496 ( 1.849 4.285 6.725) 8.186 30.624 ( 9.819 7.991 0.537) 12.671 30.701 ( 13.215 12.822 -18.097) 25.817 31.328 ( 4.613 11.201 -15.826) 19.930 33.327 ( -6.274 -4.149 21.169) 22.466 34.013 ( -5.243 -0.565 -11.953) 13.064 36.629 ( -40.643 -3.551 22.092) 46.395 37.382 ( -33.613 -3.707 -15.110) 37.039 39.142 ( 8.648 -26.341 7.124) 28.625 39.427 ( 9.156 -20.863 -7.096) 23.863 40.896 ( 10.640 18.548 0.573) 21.391 40.960 ( 11.074 22.812 -2.711) 25.503 42.776 ( 6.074 -3.479 13.273) 15.005 43.289 ( 2.116 -4.520 -11.240) 12.298======================= Grid point 409 (129/180) =======================q-point: ( 0.18 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.446 ( -3.396 7.636 27.870) 29.096 3.841 ( 13.914 8.408 20.331) 26.031 4.517 ( -1.637 1.582 -14.639) 14.815 4.756 ( 12.663 -0.914 -12.326) 17.695 5.090 ( -5.985 2.548 -8.487) 10.693 5.282 ( -8.924 4.607 -13.337) 16.695 6.913 ( 1.209 -6.169 19.406) 20.399 7.239 ( 13.864 7.172 36.635) 39.822 7.681 ( 0.955 -6.909 -12.137) 13.998 8.668 ( 3.574 2.194 -24.735) 25.088 9.542 ( 0.537 -4.720 8.812) 10.011 9.672 ( -4.721 -5.561 3.819) 8.234 13.795 ( 1.885 4.881 -0.306) 5.241 13.853 ( -1.081 8.819 -3.664) 9.611 16.342 ( 25.822 -6.336 10.644) 28.640 16.801 ( 17.969 10.287 -12.609) 24.242 17.902 ( 18.712 21.455 -2.137) 28.549 18.088 ( 7.137 6.292 -6.847) 11.722 21.094 ( -5.702 -4.567 18.088) 19.507 21.787 ( -10.743 -4.334 -15.614) 19.442 29.576 ( -2.705 5.266 20.867) 21.690 30.199 ( 9.206 -7.076 -3.209) 12.046 30.535 ( 2.079 5.336 16.699) 17.654 30.893 ( 13.761 -1.364 -2.726) 14.095 30.983 ( 14.453 4.868 -10.967) 18.785 31.489 ( 10.623 16.831 -17.288) 26.363 33.140 ( -11.963 -3.941 21.958) 25.314 33.856 ( -10.198 0.573 -13.030) 16.556 35.870 ( -28.794 -2.614 22.166) 36.431 36.679 ( -32.299 -4.393 -16.701) 36.626 39.017 ( -19.504 -11.426 8.422) 24.123 39.360 ( -15.591 -10.059 -8.437) 20.383 41.295 ( 25.956 8.522 0.500) 27.324 41.367 ( 27.019 9.327 -2.980) 28.738 42.912 ( 6.446 -1.995 10.021) 12.081 43.327 ( 1.185 -4.553 -9.536) 10.634======================= Grid point 410 (130/180) =======================q-point: ( 0.27 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.410 ( 0.440 7.079 23.480) 24.528 4.120 ( 11.641 6.684 4.165) 14.055 4.452 ( -4.938 -0.480 -7.466) 8.964 4.701 ( -12.678 2.507 -14.534) 19.449 5.157 ( 4.101 -3.642 -7.876) 9.598 5.337 ( 19.289 0.879 -10.167) 21.822 6.852 ( -7.492 -8.127 15.774) 19.262 7.329 ( -5.522 -4.418 3.221) 7.770 7.884 ( 18.515 3.877 15.858) 24.684 8.784 ( 7.807 3.203 -15.469) 17.621 9.530 ( -4.060 -3.559 5.698) 7.850 9.556 ( -4.677 -2.228 5.983) 7.914 13.892 ( 9.474 8.004 1.237) 12.464 14.068 ( 19.303 6.909 -6.353) 21.464 16.358 ( -16.771 3.832 15.576) 23.207 16.907 ( -10.386 13.239 -12.315) 20.852 18.395 ( 33.904 -1.025 1.180) 33.940 18.668 ( 39.514 11.517 -12.710) 43.076 20.948 ( -8.879 -3.231 13.941) 16.841 21.524 ( -15.031 -2.354 -14.069) 20.723 29.573 ( 2.540 4.347 24.749) 25.256 30.411 ( 11.235 -4.711 -6.225) 13.681 30.564 ( -0.024 2.692 19.586) 19.770 31.090 ( 7.049 -8.168 -3.858) 11.458 31.337 ( 18.372 3.343 -1.145) 18.709 31.689 ( 8.029 14.666 -14.158) 21.909 32.853 ( -15.850 -3.469 22.802) 27.985 33.594 ( -15.725 0.975 -13.355) 20.654 35.591 ( 2.500 0.151 10.096) 10.402 36.164 ( -16.538 -3.075 -14.555) 22.245 38.464 ( -32.746 -4.594 9.786) 34.484 38.883 ( -29.467 -1.777 -10.788) 31.430 41.839 ( 25.975 2.557 1.456) 26.141 41.939 ( 27.125 1.200 -3.002) 27.317 43.012 ( 2.994 -0.913 6.796) 7.482 43.322 ( -1.887 -4.183 -7.525) 8.814======================= Grid point 411 (131/180) =======================q-point: ( 0.36 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.477 ( 6.316 5.595 15.901) 18.001 4.222 ( -7.592 0.809 -11.435) 13.750 4.319 ( -2.359 4.813 -6.622) 8.520 4.482 ( -7.091 7.114 -16.397) 19.229 5.363 ( 16.438 -9.107 4.945) 19.432 5.797 ( 23.611 -5.777 -9.879) 26.239 6.616 ( -15.131 -9.672 12.748) 22.022 7.113 ( -14.536 -8.206 -8.013) 18.516 8.305 ( 21.234 6.230 21.115) 30.586 8.969 ( 9.673 2.766 -6.902) 12.200 9.356 ( -10.549 0.951 8.862) 13.810 9.494 ( -4.020 -0.604 2.158) 4.603 14.196 ( 20.078 7.496 6.482) 22.391 14.568 ( 28.836 8.518 -10.596) 31.880 15.880 ( -27.973 6.670 16.155) 32.984 16.495 ( -26.981 12.175 -13.474) 32.523 19.149 ( 36.822 -4.691 3.390) 37.274 19.464 ( 37.087 9.173 -11.815) 39.990 20.721 ( -13.686 -2.183 9.363) 16.726 21.176 ( -19.274 0.641 -12.587) 23.029 29.684 ( 8.409 2.416 28.294) 29.616 30.459 ( -8.773 1.136 31.646) 32.859 30.677 ( 12.762 -4.509 -17.854) 22.405 31.213 ( 4.089 -6.071 -4.530) 8.608 31.607 ( 7.043 3.650 4.161) 8.958 31.909 ( 16.533 3.668 -8.505) 18.951 32.511 ( -17.272 -2.490 21.335) 27.563 33.225 ( -20.109 -0.181 -12.670) 23.768 35.928 ( 28.031 3.127 -4.752) 28.602 36.055 ( 6.176 -0.924 -7.770) 9.968 37.746 ( -36.823 -1.708 9.440) 38.053 38.208 ( -36.223 2.146 -13.275) 38.638 42.315 ( 20.462 -0.171 2.632) 20.631 42.430 ( 20.881 -2.338 -2.069) 21.113 43.025 ( -1.718 0.068 3.741) 4.117 43.247 ( -5.598 -3.341 -5.958) 8.831======================= Grid point 412 (132/180) =======================q-point: ( 0.45 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.664 ( 11.794 3.594 7.397) 14.378 3.941 ( -14.994 1.097 -0.068) 15.035 4.337 ( 1.523 7.475 -20.902) 22.251 4.384 ( -3.302 6.796 -19.227) 20.659 5.766 ( 21.540 -12.413 12.512) 27.832 6.147 ( -6.347 -15.064 10.325) 19.334 6.377 ( 8.905 -4.813 -8.345) 13.119 6.761 ( -19.653 -8.249 -11.378) 24.161 8.716 ( 18.732 4.783 18.737) 26.922 9.041 ( -10.940 0.611 13.859) 17.667 9.225 ( 5.581 5.401 -3.047) 8.343 9.380 ( -7.127 1.892 -0.842) 7.422 14.685 ( 27.315 7.055 11.226) 30.363 15.204 ( 32.087 9.664 -12.614) 35.806 15.279 ( -29.300 7.039 14.062) 33.253 15.879 ( -32.580 10.924 -13.915) 37.073 19.827 ( 29.122 -4.972 5.489) 30.049 20.123 ( 22.637 2.490 -5.142) 23.347 20.401 ( -13.192 1.566 0.504) 13.294 20.737 ( -23.830 4.662 -12.123) 27.140 29.909 ( 13.426 0.653 31.004) 33.793 30.205 ( -14.733 -0.189 32.373) 35.568 30.947 ( 13.140 -2.614 -18.102) 22.521 31.176 ( -8.009 -1.965 -14.064) 16.304 31.792 ( 13.214 -1.960 15.998) 20.842 32.100 ( -13.461 -5.474 20.208) 24.891 32.365 ( 17.472 2.340 -9.117) 19.846 32.794 ( -21.878 -0.400 -11.699) 24.813 36.384 ( 25.030 0.109 0.616) 25.037 36.628 ( 38.458 4.423 -12.650) 40.726 37.007 ( -34.731 -0.180 6.575) 35.349 37.432 ( -39.591 3.967 -14.565) 42.371 42.661 ( 13.173 -2.184 4.218) 14.003 42.761 ( 8.817 -5.617 2.512) 10.752 42.964 ( -1.515 2.267 -2.347) 3.597 43.096 ( -9.073 -1.627 -5.549) 10.759======================= Grid point 418 (133/180) =======================q-point: ( 0.00 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.719 ( 0.000 14.214 25.748) 29.411 3.912 ( 0.000 14.712 23.855) 28.027 4.510 ( 0.000 11.484 -9.821) 15.111 4.660 ( 0.000 4.688 -13.747) 14.525 5.312 ( 0.000 3.427 -1.265) 3.653 5.856 ( 0.000 12.734 -20.555) 24.180 6.611 ( 0.000 -9.446 24.601) 26.353 7.048 ( 0.000 14.113 42.186) 44.484 7.497 ( 0.000 -13.572 -16.584) 21.429 8.648 ( 0.000 1.483 -32.152) 32.186 9.318 ( 0.000 -13.224 12.380) 18.115 9.539 ( 0.000 -13.103 1.622) 13.203 14.302 ( 0.000 0.877 5.559) 5.628 14.569 ( 0.000 19.837 -8.860) 21.726 14.703 ( 0.000 -2.115 22.879) 22.976 15.838 ( 0.000 -5.055 -31.720) 32.120 18.412 ( 0.000 26.576 3.307) 26.781 18.626 ( 0.000 37.813 -7.582) 38.566 21.019 ( 0.000 -12.900 22.090) 25.581 21.832 ( 0.000 -12.156 -17.565) 21.361 29.781 ( 0.000 0.921 27.140) 27.155 29.843 ( 0.000 -4.742 11.416) 12.362 30.562 ( 0.000 4.343 -21.441) 21.876 30.572 ( 0.000 1.608 6.557) 6.751 31.109 ( 0.000 26.370 -7.259) 27.351 31.662 ( 0.000 28.967 -18.945) 34.612 33.265 ( 0.000 -7.975 22.247) 23.633 34.021 ( 0.000 -3.991 -14.310) 14.856 37.117 ( 0.000 -2.566 18.383) 18.561 37.775 ( 0.000 -1.911 -13.928) 14.058 38.207 ( 0.000 -31.888 13.227) 34.522 38.684 ( 0.000 -26.373 -11.210) 28.657 41.247 ( 0.000 19.310 4.267) 19.775 41.437 ( 0.000 25.589 -5.468) 26.167 42.576 ( 0.000 -8.053 14.866) 16.907 43.130 ( 0.000 -8.446 -11.874) 14.572======================= Grid point 419 (134/180) =======================q-point: ( 0.09 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.730 ( -0.203 14.054 24.846) 28.546 3.917 ( 2.183 14.198 24.687) 28.562 4.559 ( 3.486 7.218 -12.442) 14.801 4.667 ( 1.260 4.848 -10.258) 11.416 5.259 ( -4.460 4.091 -4.560) 7.578 5.697 ( -13.345 10.433 -16.041) 23.329 6.682 ( 4.703 -9.437 19.601) 22.257 7.182 ( 11.427 13.332 38.988) 42.760 7.477 ( -1.006 -12.681 -15.275) 19.878 8.661 ( 1.578 1.899 -28.339) 28.447 9.345 ( 2.415 -11.900 10.480) 16.039 9.536 ( -0.334 -11.820 2.120) 12.013 13.975 ( -12.801 3.060 7.080) 14.945 14.307 ( -15.741 15.267 -9.690) 23.974 15.405 ( 45.138 -3.673 17.103) 48.409 16.282 ( 34.959 0.044 -25.361) 43.189 18.359 ( -4.433 22.975 2.642) 23.547 18.563 ( -5.514 38.008 -8.067) 39.244 21.003 ( -1.594 -11.808 20.798) 23.969 21.784 ( -4.608 -11.339 -17.172) 21.087 29.753 ( -2.200 3.646 24.819) 25.182 29.906 ( 5.702 -5.430 10.283) 12.951 30.557 ( 1.839 3.158 0.493) 3.688 30.668 ( 6.373 -0.352 -8.919) 10.967 31.139 ( 3.169 23.953 -6.366) 24.987 31.736 ( 6.865 27.593 -20.389) 34.988 33.204 ( -5.974 -7.696 22.525) 24.541 33.983 ( -3.607 -2.678 -15.412) 16.054 36.531 ( -40.987 -5.586 21.348) 46.550 37.270 ( -36.251 -6.874 -15.277) 39.935 38.593 ( 20.783 -24.820 10.302) 33.973 38.991 ( 16.513 -19.669 -9.459) 27.368 41.272 ( 4.075 16.571 4.315) 17.602 41.438 ( 2.352 22.332 -3.778) 22.771 42.675 ( 8.377 -6.018 11.641) 15.553 43.155 ( 2.134 -8.279 -10.893) 13.847======================= Grid point 420 (135/180) =======================q-point: ( 0.18 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.683 ( -3.566 14.775 25.324) 29.536 4.048 ( 10.205 10.452 21.481) 25.978 4.564 ( -3.146 2.809 -10.493) 11.309 4.744 ( 4.464 0.477 -9.742) 10.727 5.182 ( -1.661 5.858 -11.813) 13.290 5.403 ( -13.572 7.157 -12.718) 19.928 6.726 ( -1.516 -12.035 14.595) 18.977 7.285 ( -4.361 -9.325 0.082) 10.295 7.633 ( 18.196 8.804 19.274) 27.930 8.727 ( 5.175 3.344 -19.494) 20.444 9.401 ( 2.747 -8.939 6.841) 11.586 9.523 ( -1.034 -8.178 3.365) 8.904 13.919 ( 6.609 6.777 1.140) 9.535 14.086 ( -4.276 12.428 -7.463) 15.114 16.258 ( 32.454 -2.575 18.122) 37.260 16.965 ( 26.784 6.158 -16.258) 31.931 18.278 ( -2.911 13.206 1.985) 13.668 18.517 ( 7.537 34.682 -12.384) 37.590 20.951 ( -3.625 -9.261 17.585) 20.202 21.650 ( -8.358 -8.869 -16.122) 20.210 29.707 ( -1.916 6.590 23.336) 24.324 30.066 ( 9.840 -5.710 5.147) 12.487 30.609 ( 2.338 2.865 13.449) 13.949 30.805 ( 6.695 -5.054 -9.968) 13.028 31.255 ( 8.601 18.328 -3.232) 20.502 31.894 ( 6.881 20.914 -20.525) 30.100 33.027 ( -11.203 -6.752 23.408) 26.815 33.873 ( -7.672 1.089 -18.064) 19.656 35.801 ( -26.115 -3.752 20.226) 33.244 36.556 ( -31.283 -7.080 -16.071) 35.875 38.736 ( -8.034 -14.529 9.605) 19.181 39.117 ( -4.862 -12.151 -8.798) 15.770 41.478 ( 16.131 7.694 4.198) 18.358 41.617 ( 15.634 14.398 -2.060) 21.354 42.854 ( 8.133 -3.573 6.719) 11.139 43.198 ( 1.639 -7.640 -8.773) 11.748======================= Grid point 421 (136/180) =======================q-point: ( 0.27 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.626 ( -1.311 13.541 23.529) 27.179 4.291 ( 12.244 8.495 10.732) 18.364 4.452 ( -7.536 0.827 -2.302) 7.923 4.751 ( -3.873 2.094 -16.430) 17.010 5.117 ( -5.743 0.973 -10.442) 11.956 5.345 ( 10.188 -0.070 -12.254) 15.936 6.602 ( -10.442 -15.950 11.038) 22.029 7.120 ( -10.926 -15.409 -10.103) 21.421 8.058 ( 21.880 12.381 24.187) 34.887 8.869 ( 8.352 4.556 -9.602) 13.517 9.438 ( 0.091 -5.068 3.697) 6.274 9.497 ( -1.130 -3.219 4.501) 5.648 14.101 ( 9.458 11.266 -0.128) 14.710 14.253 ( 21.194 10.233 -6.940) 24.537 16.485 ( -9.561 7.642 19.557) 23.071 17.201 ( -6.605 13.582 -15.372) 21.550 18.428 ( 23.206 4.251 9.370) 25.385 18.977 ( 33.175 18.380 -17.702) 41.855 20.846 ( -7.015 -6.623 13.742) 16.790 21.450 ( -11.353 -4.832 -14.946) 19.380 29.692 ( 0.856 6.736 23.859) 24.807 30.294 ( 12.221 -6.346 -2.071) 13.925 30.613 ( -2.730 2.191 22.792) 23.059 30.942 ( 7.222 -6.174 -7.280) 11.970 31.480 ( 12.536 10.213 -1.233) 16.216 31.959 ( -0.568 10.399 -14.794) 18.092 32.760 ( -14.693 -5.183 23.635) 28.308 33.634 ( -16.264 3.220 -16.842) 23.633 35.600 ( 7.184 0.846 6.934) 10.021 36.082 ( -13.712 -4.450 -13.129) 19.498 38.345 ( -27.569 -6.444 11.540) 30.573 38.825 ( -22.505 -3.698 -11.709) 25.637 41.872 ( 20.967 -0.104 4.921) 21.537 42.012 ( 21.067 6.442 -1.069) 22.056 42.980 ( 3.921 -2.502 2.902) 5.482 43.208 ( -0.783 -6.266 -6.814) 9.290======================= Grid point 422 (137/180) =======================q-point: ( 0.36 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.648 ( 3.773 10.844 18.040) 21.385 4.245 ( -11.627 2.045 -1.101) 11.856 4.493 ( 5.359 10.781 -7.080) 13.967 4.644 ( -5.201 8.073 -18.820) 21.128 5.135 ( 8.903 -11.486 3.305) 14.904 5.631 ( 15.430 -9.920 -8.014) 20.018 6.330 ( -14.995 -17.533 6.551) 23.983 6.851 ( -15.433 -16.880 -13.345) 26.481 8.487 ( 19.808 10.835 21.711) 31.323 9.039 ( 7.258 3.507 0.516) 8.077 9.389 ( -3.948 2.167 2.860) 5.335 9.483 ( -1.052 -0.276 1.963) 2.244 14.397 ( 19.595 11.072 6.405) 23.400 14.794 ( 30.710 12.493 -12.065) 35.281 16.070 ( -27.269 11.031 18.704) 34.859 16.806 ( -27.840 16.465 -16.562) 36.338 19.074 ( 34.776 -2.500 12.934) 37.187 19.677 ( 32.814 11.325 -14.674) 37.687 20.655 ( -11.853 -4.296 9.374) 15.710 21.187 ( -14.639 0.273 -14.616) 20.689 29.757 ( 5.860 4.614 25.583) 26.648 30.439 ( -7.774 -4.970 21.817) 23.688 30.596 ( 11.069 -0.928 -4.787) 12.096 31.101 ( 7.318 -4.750 -5.154) 10.133 31.660 ( 1.812 1.438 0.125) 2.316 31.975 ( 6.281 2.270 -2.007) 6.974 32.452 ( -14.285 -3.122 17.416) 22.741 33.241 ( -21.259 2.125 -13.416) 25.228 35.997 ( 21.399 1.565 -5.780) 22.221 36.052 ( 17.936 2.531 -7.763) 19.707 37.703 ( -34.161 -2.324 11.887) 36.245 38.255 ( -32.573 2.029 -14.919) 35.885 42.278 ( 18.120 -3.864 5.946) 19.458 42.411 ( 17.147 1.341 1.067) 17.233 43.010 ( -0.773 -2.228 -0.507) 2.412 43.162 ( -3.741 -4.012 -5.962) 8.102======================= Grid point 423 (138/180) =======================q-point: ( 0.45 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.779 ( 8.905 7.588 10.952) 16.026 3.997 ( -12.041 4.382 4.428) 13.557 4.540 ( 0.761 11.772 -21.137) 24.206 4.567 ( -2.372 10.388 -20.802) 23.373 5.433 ( 18.116 -18.708 14.638) 29.874 5.769 ( -9.826 -20.728 14.600) 27.191 6.187 ( 9.058 -12.985 -15.222) 21.963 6.507 ( -17.797 -15.930 -15.784) 28.629 8.846 ( 15.142 7.358 18.650) 25.125 9.075 ( -5.867 2.487 14.394) 15.741 9.356 ( 2.535 6.768 -3.257) 7.928 9.435 ( -3.682 3.331 -1.031) 5.071 14.878 ( 27.085 10.853 12.244) 31.643 15.453 ( 7.960 12.827 -1.880) 15.213 15.482 ( -3.860 12.403 2.865) 13.302 16.167 ( -33.877 15.630 -16.684) 40.869 19.729 ( 28.418 -4.225 14.116) 32.011 20.133 ( -1.484 -1.152 8.883) 9.080 20.480 ( 7.563 5.502 -12.636) 15.721 20.846 ( -19.003 5.352 -16.042) 25.438 29.932 ( 11.165 1.600 27.432) 29.660 30.193 ( -13.684 -1.157 28.278) 31.437 30.876 ( 14.335 -3.745 -16.225) 21.972 31.122 ( -7.404 -3.079 -15.846) 17.760 31.715 ( 8.831 -5.593 17.186) 20.116 31.972 ( -12.357 -6.235 24.427) 28.076 32.418 ( 14.544 2.610 -10.555) 18.159 32.804 ( -21.121 1.742 -12.086) 24.396 36.388 ( 25.589 0.285 3.308) 25.803 36.745 ( 38.027 6.444 -14.914) 41.352 37.005 ( -33.106 -0.044 9.000) 34.307 37.532 ( -37.833 5.236 -16.634) 41.659 42.583 ( 11.134 -5.359 7.593) 14.503 42.662 ( 5.427 -3.441 6.732) 9.307 42.981 ( -0.053 -0.865 -6.279) 6.339 43.060 ( -5.906 -1.290 -7.013) 9.259======================= Grid point 429 (139/180) =======================q-point: ( 0.00 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.002 ( 0.000 12.354 22.279) 25.475 4.183 ( 0.000 9.998 16.675) 19.443 4.737 ( 0.000 9.476 -10.527) 14.164 4.750 ( 0.000 4.424 -5.911) 7.383 5.468 ( 0.000 11.350 2.358) 11.592 6.141 ( 0.000 14.795 -20.469) 25.256 6.375 ( 0.000 -13.114 21.222) 24.947 7.158 ( 0.000 -15.437 -10.118) 18.458 7.441 ( 0.000 20.290 28.108) 34.666 8.695 ( 0.000 3.445 -26.160) 26.385 8.962 ( 0.000 -21.092 12.925) 24.737 9.258 ( 0.000 -13.494 -0.899) 13.524 14.350 ( 0.000 3.699 13.017) 13.532 14.643 ( 0.000 -3.690 20.957) 21.279 14.968 ( 0.000 17.810 -17.338) 24.856 15.709 ( 0.000 -7.430 -30.211) 31.111 18.964 ( 0.000 28.932 11.709) 31.211 19.506 ( 0.000 43.116 -16.511) 46.169 20.677 ( 0.000 -20.220 21.911) 29.815 21.505 ( 0.000 -19.711 -18.577) 27.086 29.764 ( 0.000 -2.698 17.838) 18.041 29.784 ( 0.000 -0.873 28.784) 28.797 30.597 ( 0.000 1.128 -1.917) 2.224 30.629 ( 0.000 2.007 -21.264) 21.359 31.666 ( 0.000 28.244 5.967) 28.867 32.371 ( 0.000 36.242 -23.584) 43.240 33.056 ( 0.000 -12.649 22.251) 25.595 33.880 ( 0.000 -10.227 -17.502) 20.271 37.076 ( 0.000 -0.824 18.308) 18.327 37.642 ( 0.000 -22.506 14.870) 26.974 37.738 ( 0.000 -1.294 -14.530) 14.587 38.198 ( 0.000 -19.984 -13.315) 24.013 41.605 ( 0.000 15.438 8.054) 17.413 41.917 ( 0.000 21.001 -7.638) 22.347 42.382 ( 0.000 -10.479 14.467) 17.864 42.919 ( 0.000 -11.862 -11.579) 16.577======================= Grid point 430 (140/180) =======================q-point: ( 0.09 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.017 ( 1.001 12.443 20.464) 23.971 4.178 ( 0.029 9.824 18.961) 21.354 4.692 ( -2.367 4.992 -9.330) 10.844 4.788 ( 1.395 7.391 -4.470) 8.749 5.409 ( -4.937 10.084 -2.739) 11.557 5.921 ( -15.993 10.246 -9.789) 21.368 6.461 ( 3.055 -10.714 9.642) 14.734 7.106 ( -5.049 -16.834 -12.345) 21.477 7.590 ( 13.675 19.977 28.333) 37.267 8.705 ( 1.801 1.659 -17.690) 17.859 9.038 ( 6.480 -16.681 6.905) 19.181 9.286 ( 2.622 -11.900 -0.449) 12.194 14.043 ( -9.806 3.271 9.622) 14.122 14.591 ( -19.605 11.479 -16.096) 27.842 15.336 ( 43.315 -3.146 19.527) 47.617 16.282 ( 40.687 -0.017 -25.394) 47.961 18.849 ( -10.579 25.482 12.132) 30.141 19.414 ( -8.257 40.595 -16.717) 44.672 20.698 ( 1.615 -17.394 19.971) 26.533 21.484 ( -2.012 -17.680 -18.047) 25.344 29.798 ( 1.234 0.267 28.190) 28.219 29.819 ( 5.172 -2.604 16.625) 17.605 30.614 ( 1.796 1.732 -0.465) 2.539 30.659 ( 2.558 0.215 -18.855) 19.029 31.663 ( -0.158 26.493 5.614) 27.082 32.363 ( -1.218 30.378 -22.643) 37.908 33.006 ( -4.831 -11.716 22.836) 26.117 33.890 ( 1.109 -6.460 -20.270) 21.303 36.417 ( -40.617 -4.941 19.700) 45.412 37.118 ( -38.155 -7.214 -15.062) 41.650 38.161 ( 26.592 -16.528 12.929) 33.875 38.653 ( 22.110 -12.611 -11.517) 27.938 41.558 ( -2.626 10.987 9.239) 14.593 41.863 ( -1.688 18.629 -4.778) 19.306 42.539 ( 11.650 -6.819 8.637) 16.025 42.958 ( 3.424 -10.418 -10.230) 14.998======================= Grid point 431 (141/180) =======================q-point: ( 0.18 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.004 ( -2.641 14.440 18.864) 23.903 4.231 ( 5.872 6.638 21.308) 23.077 4.631 ( -4.234 4.062 -3.405) 6.784 4.802 ( 0.265 5.079 -5.395) 7.414 5.312 ( -3.723 6.645 -14.022) 15.957 5.581 ( -16.375 9.736 -7.852) 20.605 6.429 ( -6.393 -15.695 4.987) 17.666 6.959 ( -9.218 -18.908 -14.135) 25.343 7.942 ( 19.737 18.078 26.237) 37.480 8.790 ( 6.471 1.665 -6.537) 9.348 9.188 ( 7.665 -10.446 1.419) 13.034 9.355 ( 3.821 -7.960 0.438) 8.840 14.054 ( 10.127 5.865 1.591) 11.810 14.323 ( -5.628 9.704 -11.580) 16.122 16.212 ( 37.984 -2.110 21.678) 43.786 17.068 ( 32.082 3.866 -18.644) 37.306 18.602 ( -11.031 17.181 12.482) 23.930 19.249 ( -4.446 34.109 -19.180) 39.384 20.719 ( -0.039 -12.721 16.616) 20.927 21.425 ( -3.747 -12.557 -16.899) 21.385 29.820 ( 0.826 4.027 25.587) 25.915 29.967 ( 9.017 -3.774 14.320) 17.338 30.649 ( 0.828 -0.322 3.251) 3.370 30.734 ( 5.033 -0.383 -12.433) 13.419 31.671 ( 1.298 20.853 3.528) 21.189 32.291 ( -6.563 16.199 -18.237) 25.261 32.864 ( -8.969 -9.044 24.337) 27.468 33.904 ( -1.652 1.887 -25.873) 25.995 35.728 ( -22.812 -3.070 18.003) 29.222 36.410 ( -29.312 -6.393 -14.816) 33.460 38.458 ( 0.685 -11.643 11.529) 16.400 38.896 ( 1.620 -8.686 -9.466) 12.949 41.596 ( 7.647 3.885 10.207) 13.332 41.928 ( 8.561 15.020 -4.373) 17.833 42.759 ( 8.890 -6.071 3.877) 11.442 43.037 ( 3.928 -7.022 -7.960) 11.318======================= Grid point 432 (142/180) =======================q-point: ( 0.27 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.938 ( -2.973 15.321 20.162) 25.497 4.403 ( 10.346 1.770 19.801) 22.411 4.508 ( -7.432 5.064 2.882) 9.444 4.804 ( -0.310 3.146 -14.061) 14.412 5.219 ( -9.751 8.099 -14.675) 19.392 5.345 ( -1.695 0.956 -11.292) 11.458 6.219 ( -13.486 -19.931 2.011) 24.148 6.735 ( -12.831 -20.837 -15.896) 29.180 8.352 ( 19.786 15.118 23.430) 34.191 8.948 ( 8.308 2.112 2.303) 8.876 9.333 ( 6.302 -4.467 -1.542) 7.878 9.430 ( 3.344 -3.228 1.066) 4.769 14.319 ( 10.400 9.107 -1.678) 13.925 14.457 ( 22.761 8.801 -8.283) 25.771 16.632 ( -0.876 5.825 21.718) 22.503 17.430 ( 0.801 8.358 -15.674) 17.781 18.556 ( 11.221 7.315 17.149) 21.760 19.400 ( 20.361 21.376 -22.113) 36.885 20.679 ( -4.281 -9.309 13.963) 17.319 21.331 ( -5.704 -6.327 -16.172) 18.278 29.833 ( 0.701 6.515 23.122) 24.033 30.166 ( 9.772 -5.747 11.129) 15.886 30.633 ( -2.378 -0.973 6.437) 6.931 30.859 ( 7.247 -1.135 -4.411) 8.560 31.717 ( 2.391 11.401 -1.892) 11.801 32.106 ( -9.928 4.608 -9.534) 14.515 32.642 ( -12.850 -6.370 24.425) 28.325 33.725 ( -16.435 5.035 -21.640) 27.636 35.626 ( 12.694 1.548 3.089) 13.156 35.997 ( -9.959 -3.469 -11.074) 15.292 38.214 ( -22.147 -5.807 13.282) 26.469 38.744 ( -15.926 -3.746 -12.056) 20.323 41.850 ( 15.919 -1.495 10.561) 19.163 42.183 ( 15.006 9.456 -3.281) 18.038 42.884 ( 3.422 -7.210 1.384) 8.100 43.102 ( 2.122 -3.270 -6.867) 7.896======================= Grid point 433 (143/180) =======================q-point: ( 0.36 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.910 ( 0.619 13.731 18.734) 23.235 4.319 ( -9.826 5.451 7.875) 13.721 4.659 ( 13.148 0.007 11.728) 17.618 4.788 ( -0.910 5.759 -19.468) 20.323 5.018 ( -7.562 4.896 -11.968) 14.979 5.407 ( 3.916 -11.032 -4.111) 12.408 5.933 ( -12.393 -19.401 -5.615) 23.696 6.445 ( -15.310 -21.460 -17.840) 31.830 8.723 ( 16.249 11.286 20.680) 28.619 9.095 ( 5.293 1.432 9.774) 11.207 9.434 ( 3.514 1.820 -3.824) 5.503 9.485 ( 1.985 0.496 0.825) 2.206 14.617 ( 19.504 9.418 6.016) 22.479 15.042 ( 32.686 10.578 -13.937) 37.075 16.296 ( -26.578 9.921 20.421) 34.955 17.119 ( -26.925 12.741 -18.772) 35.209 19.045 ( 31.127 -0.440 21.886) 38.054 19.922 ( 25.757 12.092 -15.279) 32.297 20.544 ( -8.077 -6.348 8.820) 13.540 21.183 ( -9.155 -0.617 -16.800) 19.142 29.867 ( 3.163 5.754 22.174) 23.126 30.291 ( -0.682 -7.701 17.166) 18.826 30.612 ( 3.912 0.888 -2.599) 4.780 31.026 ( 8.315 -2.176 -3.434) 9.256 31.647 ( -9.682 -2.757 -1.334) 10.155 32.031 ( 1.672 3.926 8.564) 9.568 32.373 ( -10.246 -4.676 11.636) 16.194 33.311 ( -22.320 4.079 -15.651) 27.564 35.991 ( 13.193 -0.713 -2.256) 13.403 36.151 ( 31.068 5.242 -12.025) 33.724 37.654 ( -31.208 -2.264 14.282) 34.396 38.285 ( -28.225 0.901 -16.151) 32.532 42.186 ( 16.027 -4.249 10.841) 19.810 42.476 ( 12.382 4.646 1.025) 13.265 42.911 ( -0.075 -7.007 -1.853) 7.248 43.112 ( -1.327 -1.010 -7.245) 7.434======================= Grid point 434 (144/180) =======================q-point: ( 0.45 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.972 ( 5.417 10.725 14.768) 19.038 4.122 ( -9.000 7.679 10.476) 15.802 4.783 ( 0.895 10.283 -21.988) 24.290 4.817 ( -1.070 14.078 -16.475) 21.697 5.042 ( 12.773 -17.963 13.431) 25.811 5.333 ( -12.362 -19.987 14.965) 27.862 5.876 ( 7.965 -16.145 -21.382) 27.951 6.131 ( -15.017 -19.648 -19.973) 31.788 8.997 ( 10.362 6.704 18.280) 22.056 9.129 ( -2.393 2.382 15.514) 15.878 9.485 ( 1.805 5.258 -3.966) 6.829 9.506 ( -0.041 3.269 -1.395) 3.555 15.097 ( 27.168 9.539 12.890) 31.547 15.691 ( -27.434 10.061 16.118) 33.372 15.749 ( 32.565 11.765 -16.242) 38.245 16.473 ( -34.856 12.912 -19.308) 41.886 19.658 ( 27.301 -2.627 21.918) 35.109 20.100 ( -13.518 -1.659 19.101) 23.460 20.595 ( 17.152 5.036 -20.784) 27.414 20.943 ( -14.765 3.784 -19.085) 24.425 29.974 ( 7.386 2.308 22.543) 23.834 30.154 ( -9.588 -2.461 22.875) 24.924 30.809 ( 13.083 -2.496 -15.483) 20.424 31.061 ( -8.313 -2.533 -19.348) 21.210 31.577 ( 7.811 -6.985 24.343) 26.503 31.857 ( -15.890 -4.748 30.173) 34.430 32.469 ( 15.975 2.276 -13.369) 20.955 32.861 ( -21.360 3.223 -14.167) 25.833 36.395 ( 26.031 0.293 6.473) 26.826 36.873 ( 35.026 5.538 -16.216) 38.993 37.004 ( -29.375 -0.115 10.498) 31.195 37.631 ( -35.346 4.034 -18.611) 40.150 42.470 ( 11.285 -4.876 11.158) 16.602 42.610 ( -0.910 -1.835 9.930) 10.139 42.938 ( 4.200 -2.590 -8.980) 10.247 43.047 ( -4.950 -0.322 -8.632) 9.956======================= Grid point 440 (145/180) =======================q-point: ( 0.00 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.207 ( 0.000 7.158 18.334) 19.682 4.285 ( 0.000 0.004 14.690) 14.690 4.844 ( 0.000 3.848 -5.074) 6.368 4.865 ( 0.000 2.510 -9.116) 9.455 5.753 ( 0.000 15.538 8.594) 17.756 6.079 ( 0.000 -15.434 15.947) 22.193 6.463 ( 0.000 16.302 -18.174) 24.414 6.810 ( 0.000 -17.189 -15.459) 23.118 7.931 ( 0.000 25.799 23.678) 35.018 8.471 ( 0.000 -25.759 17.063) 30.898 8.804 ( 0.000 7.336 -17.206) 18.705 8.999 ( 0.000 -11.307 -7.781) 13.726 14.445 ( 0.000 5.203 16.799) 17.586 14.553 ( 0.000 -5.000 19.019) 19.666 15.290 ( 0.000 13.458 -23.910) 27.437 15.530 ( 0.000 -10.023 -27.877) 29.624 19.589 ( 0.000 30.560 17.924) 35.429 20.188 ( 0.000 -26.861 20.910) 34.040 20.338 ( 0.000 36.825 -19.697) 41.761 21.011 ( 0.000 -28.253 -19.666) 34.423 29.736 ( 0.000 -0.071 23.138) 23.138 29.754 ( 0.000 -1.588 26.874) 26.920 30.624 ( 0.000 1.373 -10.031) 10.124 30.644 ( 0.000 -0.362 -17.074) 17.077 32.245 ( 0.000 26.618 14.838) 30.474 32.726 ( 0.000 -19.611 19.906) 27.944 33.065 ( 0.000 29.842 -23.063) 37.715 33.577 ( 0.000 -19.559 -20.503) 28.336 37.108 ( 0.000 4.459 17.228) 17.796 37.281 ( 0.000 -12.690 15.846) 20.301 37.746 ( 0.000 2.732 -14.733) 14.984 37.879 ( 0.000 -10.753 -14.347) 17.929 41.895 ( 0.000 13.040 11.196) 17.187 42.151 ( 0.000 -11.821 13.336) 17.821 42.312 ( 0.000 17.507 -9.443) 19.891 42.644 ( 0.000 -14.719 -10.800) 18.256======================= Grid point 441 (146/180) =======================q-point: ( 0.09 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.212 ( 0.330 6.110 16.303) 17.414 4.286 ( 0.323 0.862 16.123) 16.150 4.776 ( -3.375 2.667 -7.845) 8.947 4.922 ( 2.050 4.051 -3.655) 5.828 5.665 ( -8.034 14.278 4.919) 17.105 5.959 ( -10.584 -9.873 13.484) 19.782 6.405 ( -6.288 8.292 -16.864) 19.816 6.751 ( -5.751 -15.957 -17.052) 24.052 8.045 ( 10.599 23.046 23.566) 34.624 8.526 ( 5.628 -20.304 16.466) 26.740 8.892 ( 7.872 4.748 -14.662) 17.306 9.057 ( 5.409 -10.030 -7.025) 13.387 14.095 ( -8.429 1.422 10.457) 13.506 14.760 ( -22.729 4.462 -21.252) 31.435 15.281 ( 43.478 -1.757 21.851) 48.691 16.282 ( 44.263 0.004 -25.791) 51.229 19.342 ( -20.078 18.313 19.379) 33.377 20.139 ( -13.285 24.916 -15.215) 32.075 20.339 ( 7.033 -13.071 13.006) 19.735 21.084 ( 5.442 -18.269 -18.501) 26.564 29.774 ( 3.886 -0.789 26.589) 26.883 29.801 ( 4.093 -0.481 22.713) 23.084 30.628 ( 0.167 0.201 -11.892) 11.895 30.674 ( 2.951 0.584 -12.664) 13.017 32.187 ( -5.334 22.081 12.034) 25.707 32.712 ( -1.686 -15.150 22.159) 26.895 32.883 ( -14.621 15.938 -18.759) 28.630 33.734 ( 11.992 -6.865 -26.588) 29.964 36.343 ( -40.056 -1.931 18.119) 44.005 37.004 ( -38.576 -3.108 -14.688) 41.394 37.927 ( 28.603 -5.857 14.654) 32.668 38.478 ( 24.655 -4.278 -12.814) 28.114 41.718 ( -9.361 4.193 13.745) 17.151 42.198 ( -1.988 13.342 -5.212) 14.461 42.402 ( 10.812 -6.836 4.143) 13.446 42.758 ( 8.867 -7.174 -8.859) 14.442======================= Grid point 442 (147/180) =======================q-point: ( 0.18 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.206 ( -1.141 4.608 12.782) 13.635 4.315 ( 2.835 1.746 18.551) 18.847 4.723 ( -1.853 3.310 -6.902) 7.876 4.921 ( -2.446 4.854 4.821) 7.265 5.474 ( -9.312 9.559 -7.094) 15.114 5.701 ( -13.827 -3.023 10.842) 17.829 6.203 ( -13.042 -1.331 -17.201) 21.627 6.581 ( -10.829 -15.297 -19.561) 27.091 8.322 ( 15.638 17.503 22.785) 32.712 8.693 ( 10.208 -11.827 15.975) 22.344 9.086 ( 10.415 2.007 -10.223) 14.732 9.199 ( 8.062 -6.869 -5.784) 12.068 14.142 ( 12.091 2.302 1.471) 12.396 14.464 ( -6.052 3.621 -14.378) 16.014 16.176 ( 40.687 -1.043 23.786) 47.141 17.122 ( 34.748 1.312 -20.695) 40.465 18.905 ( -19.991 9.457 20.362) 30.062 19.834 ( -12.833 19.376 -24.152) 33.518 20.466 ( 4.171 -9.943 16.797) 19.960 21.181 ( 3.583 -8.617 -17.281) 19.640 29.875 ( 4.882 1.623 26.826) 27.315 29.910 ( 6.910 -1.839 20.241) 21.467 30.620 ( -1.051 -1.082 -11.133) 11.235 30.759 ( 5.092 1.139 -6.423) 8.275 32.052 ( -7.318 13.365 4.635) 15.926 32.526 ( -17.824 6.442 -11.469) 22.152 32.665 ( -5.159 -8.978 24.930) 26.995 33.941 ( 4.861 1.284 -32.901) 33.283 35.683 ( -20.415 -1.158 16.595) 26.335 36.314 ( -27.552 -2.513 -13.705) 30.875 38.285 ( 4.865 -4.528 13.194) 14.773 38.773 ( 4.401 -3.100 -10.200) 11.534 41.645 ( 3.105 1.074 14.383) 14.753 42.207 ( 4.390 10.538 -10.806) 15.720 42.602 ( 7.850 -7.721 6.843) 12.964 42.939 ( 8.096 -2.270 -7.792) 11.464======================= Grid point 443 (148/180) =======================q-point: ( 0.27 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.173 ( -1.731 5.925 13.553) 14.892 4.399 ( 5.146 -0.990 17.778) 18.534 4.675 ( -4.314 9.739 4.437) 11.538 4.840 ( -3.578 -0.881 2.798) 4.626 5.331 ( -4.425 3.677 -17.715) 18.626 5.424 ( -12.819 1.204 7.210) 14.757 5.906 ( -15.217 -5.081 -19.641) 25.361 6.322 ( -14.215 -16.277 -21.543) 30.514 8.645 ( 15.358 12.015 21.377) 28.935 8.909 ( 10.263 -5.813 15.531) 19.502 9.291 ( 9.314 0.513 -5.764) 10.965 9.366 ( 7.855 -2.718 -5.345) 9.882 14.452 ( 11.508 3.428 -2.636) 12.293 14.589 ( 23.443 3.457 -9.561) 25.552 16.710 ( 5.857 1.787 22.684) 23.496 17.546 ( 4.680 2.827 -15.691) 16.616 18.684 ( 2.685 3.924 22.853) 23.343 19.780 ( 10.186 12.572 -28.225) 32.534 20.491 ( -1.856 -7.195 17.489) 19.002 21.219 ( -0.089 -3.488 -17.107) 17.459 29.949 ( 2.366 4.425 19.844) 20.469 30.064 ( 7.141 -3.973 23.749) 25.116 30.595 ( -0.921 -1.549 -9.364) 9.536 30.870 ( 5.862 0.935 0.081) 5.936 31.890 ( -10.540 4.215 -5.468) 12.600 32.199 ( -10.643 4.569 -7.715) 13.917 32.504 ( -11.320 -5.897 30.939) 33.468 33.810 ( -16.918 2.512 -24.642) 29.996 35.654 ( 16.194 0.879 0.290) 16.221 35.948 ( -7.040 -1.190 -9.548) 11.922 38.124 ( -18.726 -2.461 14.568) 23.852 38.686 ( -12.357 -1.555 -12.153) 17.401 41.824 ( 13.146 -0.758 13.980) 19.205 42.375 ( 11.139 7.872 -10.240) 17.056 42.713 ( 3.137 -7.563 6.962) 10.747 43.067 ( 4.143 -0.643 -7.967) 9.003======================= Grid point 444 (149/180) =======================q-point: ( 0.36 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.151 ( -0.050 7.530 15.983) 17.668 4.457 ( -4.816 3.718 20.580) 21.460 4.589 ( 2.700 2.082 12.057) 12.530 4.827 ( 1.321 -4.848 -7.028) 8.640 5.193 ( -9.297 2.466 2.827) 10.025 5.273 ( -2.952 2.998 -16.333) 16.866 5.632 ( -10.038 -6.075 -25.595) 28.157 6.023 ( -14.688 -16.690 -22.971) 31.968 8.923 ( 11.630 7.226 19.668) 23.964 9.085 ( 6.515 -2.214 15.513) 16.971 9.454 ( 6.494 0.286 -2.920) 7.126 9.502 ( 5.191 0.714 -4.833) 7.128 14.757 ( 19.647 3.658 5.610) 20.757 15.199 ( 33.897 4.097 -15.280) 37.407 16.445 ( -25.815 3.889 21.038) 33.528 17.302 ( -25.383 4.625 -19.599) 32.401 19.046 ( 27.795 0.216 27.447) 39.063 20.157 ( 20.070 9.761 -18.730) 29.136 20.397 ( -5.168 -7.421 11.905) 14.950 21.169 ( -5.135 -0.538 -18.203) 18.921 29.981 ( 1.282 4.676 17.033) 17.709 30.152 ( 0.600 -5.207 23.460) 24.039 30.617 ( 4.094 -0.164 -11.369) 12.085 31.009 ( 7.555 0.001 0.061) 7.555 31.584 ( -16.217 -2.160 -0.188) 16.361 32.130 ( -8.125 4.942 21.693) 23.686 32.267 ( -1.230 -5.084 1.105) 5.346 33.380 ( -23.151 1.996 -17.508) 29.094 35.982 ( 13.875 -0.228 -0.079) 13.877 36.234 ( 33.016 2.326 -14.590) 36.171 37.617 ( -29.249 -1.046 15.885) 33.301 38.295 ( -25.320 0.169 -16.714) 30.340 42.122 ( 14.926 -1.705 13.582) 20.253 42.596 ( 7.695 6.823 -0.490) 10.295 42.751 ( 2.582 -7.952 -0.427) 8.371 43.102 ( -0.640 -0.156 -8.596) 8.621======================= Grid point 445 (150/180) =======================q-point: ( 0.45 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.185 ( 3.616 8.040 18.033) 20.073 4.300 ( -7.519 8.022 19.431) 22.326 4.726 ( 7.619 -9.532 12.073) 17.166 4.838 ( -2.054 -9.368 3.755) 10.299 5.074 ( -0.890 8.329 -10.837) 13.697 5.160 ( -7.258 7.721 -14.386) 17.868 5.575 ( 4.294 -10.686 -27.919) 30.201 5.748 ( -11.719 -14.965 -24.702) 31.168 9.104 ( 5.934 3.291 17.904) 19.147 9.159 ( 0.573 0.334 16.371) 16.385 9.550 ( 2.885 1.327 -2.522) 4.055 9.568 ( 1.203 1.968 -3.606) 4.280 15.240 ( 27.359 3.767 13.063) 30.551 15.842 ( -30.803 3.978 18.089) 35.943 15.924 ( 36.443 4.559 -19.239) 41.461 16.663 ( -35.235 4.917 -20.802) 41.212 19.622 ( 26.435 -0.877 26.583) 37.500 20.074 ( -17.500 -0.693 24.008) 29.717 20.670 ( 19.668 1.971 -24.055) 31.134 20.996 ( -12.131 1.312 -20.631) 23.969 30.021 ( 3.015 1.992 17.680) 18.046 30.101 ( -4.308 -2.234 20.598) 21.162 30.777 ( 11.246 -0.717 -17.323) 20.666 31.026 ( -10.072 -0.818 -23.196) 25.301 31.465 ( 9.245 -3.110 32.595) 34.023 31.785 ( -18.773 -1.982 35.215) 39.955 32.505 ( 17.574 1.009 -15.496) 23.452 32.915 ( -22.049 1.534 -16.081) 27.333 36.399 ( 26.152 0.120 8.627) 27.538 36.960 ( 28.583 2.686 -15.079) 32.428 36.997 ( -22.696 -0.604 9.532) 24.624 37.689 ( -33.487 1.477 -19.760) 38.911 42.398 ( 11.731 -1.866 13.080) 17.669 42.585 ( -6.271 -0.601 12.319) 13.836 42.896 ( 8.740 -1.194 -10.788) 13.935 43.042 ( -5.252 -0.137 -9.570) 10.917======================= Grid point 495 (151/180) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.894 ( 0.000 0.000 -22.021) 22.021 3.894 ( 0.000 0.000 22.021) 22.021 4.091 ( 0.000 0.000 -23.206) 23.206 4.091 ( 0.000 0.000 23.206) 23.206 5.294 ( 0.000 0.000 -0.269) 0.269 5.294 ( 0.000 0.000 0.269) 0.269 7.324 ( 0.000 0.000 -16.155) 16.155 7.324 ( 0.000 0.000 16.155) 16.155 7.800 ( 0.000 0.000 -40.034) 40.034 7.800 ( 0.000 0.000 40.034) 40.034 9.794 ( 0.000 0.000 -6.355) 6.355 9.794 ( 0.000 0.000 6.355) 6.355 14.124 ( 0.000 0.000 -8.689) 8.689 14.124 ( 0.000 0.000 8.689) 8.689 15.302 ( 0.000 0.000 -29.582) 29.582 15.302 ( 0.000 0.000 29.582) 29.582 17.799 ( 0.000 0.000 -16.123) 16.123 17.799 ( 0.000 0.000 16.123) 16.123 21.701 ( 0.000 0.000 -19.503) 19.503 21.701 ( 0.000 0.000 19.503) 19.503 30.050 ( 0.000 0.000 -7.774) 7.774 30.050 ( 0.000 0.000 7.774) 7.774 30.130 ( 0.000 0.000 -10.243) 10.243 30.130 ( 0.000 0.000 10.243) 10.243 30.862 ( 0.000 0.000 -18.306) 18.306 30.862 ( 0.000 0.000 18.306) 18.306 33.805 ( 0.000 0.000 -15.811) 15.811 33.805 ( 0.000 0.000 15.811) 15.811 37.526 ( 0.000 0.000 -15.566) 15.566 37.526 ( 0.000 0.000 15.566) 15.566 39.484 ( 0.000 0.000 -0.897) 0.897 39.484 ( 0.000 0.000 0.897) 0.897 40.490 ( 0.000 0.000 -1.228) 1.228 40.490 ( 0.000 0.000 1.228) 1.228 43.046 ( 0.000 0.000 -13.712) 13.712 43.046 ( 0.000 0.000 13.712) 13.712======================= Grid point 497 (152/180) =======================q-point: ( 0.09 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.873 ( -1.681 0.000 -1.877) 2.520 3.873 ( -1.681 0.000 1.877) 2.520 4.206 ( 10.503 0.000 -3.201) 10.980 4.206 ( 10.503 0.000 3.201) 10.980 5.206 ( -8.010 0.000 -1.022) 8.075 5.206 ( -8.010 0.000 1.022) 8.075 7.370 ( 3.373 0.000 -19.431) 19.722 7.370 ( 3.373 0.000 19.431) 19.722 7.831 ( 3.727 0.000 -41.766) 41.932 7.831 ( 3.727 0.000 41.766) 41.932 9.780 ( -1.406 0.000 -5.685) 5.857 9.780 ( -1.406 0.000 5.685) 5.857 13.891 ( -14.123 0.000 -1.870) 14.247 13.891 ( -14.123 0.000 1.870) 14.247 15.806 ( 38.969 0.000 -18.621) 43.190 15.806 ( 38.969 0.000 18.621) 43.190 17.765 ( -2.434 0.000 -15.585) 15.774 17.765 ( -2.434 0.000 15.585) 15.774 21.648 ( -5.054 0.000 -18.841) 19.507 21.648 ( -5.054 0.000 18.841) 19.507 29.931 ( -3.504 0.000 -14.727) 15.138 29.931 ( -3.504 0.000 14.727) 15.138 30.413 ( 19.110 0.000 -4.055) 19.535 30.413 ( 19.110 0.000 4.055) 19.535 30.879 ( 1.900 0.000 -17.740) 17.842 30.879 ( 1.900 0.000 17.740) 17.842 33.744 ( -5.996 0.000 -15.957) 17.047 33.744 ( -5.996 0.000 15.957) 17.047 37.081 ( -35.662 0.000 -18.319) 40.092 37.081 ( -35.662 0.000 18.319) 40.092 39.593 ( -0.483 0.000 -5.043) 5.066 39.593 ( -0.483 0.000 5.043) 5.066 40.635 ( 18.543 0.000 -0.008) 18.543 40.635 ( 18.543 0.000 0.008) 18.543 43.087 ( 3.528 0.000 -12.899) 13.373 43.087 ( 3.528 0.000 12.899) 13.373======================= Grid point 499 (153/180) =======================q-point: ( 0.18 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.833 ( -2.231 0.000 -14.380) 14.552 3.833 ( -2.231 0.000 14.380) 14.552 4.464 ( 12.061 0.000 -13.133) 17.831 4.464 ( 12.061 0.000 13.133) 17.831 5.030 ( -6.244 0.000 -4.510) 7.702 5.030 ( -6.244 0.000 4.510) 7.702 7.393 ( -2.240 0.000 -18.592) 18.726 7.393 ( -2.240 0.000 18.592) 18.726 7.988 ( 11.953 0.000 -36.614) 38.515 7.988 ( 11.953 0.000 36.614) 38.515 9.734 ( -3.217 0.000 -3.628) 4.849 9.734 ( -3.217 0.000 3.628) 4.849 13.732 ( -0.416 0.000 -1.316) 1.380 13.732 ( -0.416 0.000 1.316) 1.380 16.522 ( 22.594 0.000 -4.128) 22.968 16.522 ( 22.594 0.000 4.128) 22.968 17.818 ( 13.560 0.000 -10.216) 16.978 17.818 ( 13.560 0.000 10.216) 16.978 21.499 ( -9.493 0.000 -16.879) 19.366 21.499 ( -9.493 0.000 16.879) 19.366 29.927 ( 2.740 0.000 -20.228) 20.412 29.927 ( 2.740 0.000 20.228) 20.412 30.835 ( 19.531 0.000 -8.261) 21.206 30.835 ( 19.531 0.000 8.261) 21.206 30.956 ( 7.405 0.000 -9.790) 12.275 30.956 ( 7.405 0.000 9.790) 12.275 33.566 ( -11.392 0.000 -16.380) 19.952 33.566 ( -11.392 0.000 16.380) 19.952 36.346 ( -32.520 0.000 -20.346) 38.360 36.346 ( -32.520 0.000 20.346) 38.360 39.310 ( -24.343 0.000 -7.931) 25.602 39.310 ( -24.343 0.000 7.931) 25.602 41.205 ( 32.743 0.000 -1.359) 32.772 41.205 ( 32.743 0.000 1.359) 32.772 43.162 ( 3.227 0.000 -10.913) 11.380 43.162 ( 3.227 0.000 10.913) 11.380======================= Grid point 501 (154/180) =======================q-point: ( 0.27 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.791 ( -1.552 0.000 -20.370) 20.429 3.791 ( -1.552 0.000 20.370) 20.429 4.492 ( -9.188 0.000 -6.545) 11.281 4.492 ( -9.188 0.000 6.545) 11.281 5.161 ( 18.993 0.000 -4.342) 19.484 5.161 ( 18.993 0.000 4.342) 19.484 7.270 ( -9.726 0.000 -13.894) 16.960 7.270 ( -9.726 0.000 13.894) 16.960 8.291 ( 16.949 0.000 -25.862) 30.921 8.291 ( 16.949 0.000 25.862) 30.921 9.644 ( -5.747 0.000 -0.381) 5.759 9.644 ( -5.747 0.000 0.381) 5.759 13.875 ( 14.056 0.000 -4.933) 14.897 13.875 ( 14.056 0.000 4.933) 14.897 16.556 ( -14.798 0.000 -9.830) 17.765 16.556 ( -14.798 0.000 9.830) 17.765 18.412 ( 39.465 0.000 -2.132) 39.522 18.412 ( 39.465 0.000 2.132) 39.522 21.265 ( -13.590 0.000 -13.842) 19.398 21.265 ( -13.590 0.000 13.842) 19.398 30.033 ( 7.550 0.000 -24.265) 25.413 30.033 ( 7.550 0.000 24.265) 25.413 31.014 ( 3.681 0.000 -21.109) 21.427 31.014 ( 3.681 0.000 21.109) 21.427 31.312 ( 20.270 0.000 -0.946) 20.292 31.312 ( 20.270 0.000 0.946) 20.292 33.288 ( -15.745 0.000 -16.802) 23.026 33.288 ( -15.745 0.000 16.802) 23.026 35.879 ( -11.395 0.000 -15.685) 19.387 35.879 ( -11.395 0.000 15.685) 19.387 38.700 ( -34.300 0.000 -9.352) 35.552 38.700 ( -34.300 0.000 9.352) 35.552 41.848 ( 29.232 0.000 -2.892) 29.375 41.848 ( 29.232 0.000 2.892) 29.375 43.198 ( -0.014 0.000 -8.550) 8.550 43.198 ( -0.014 0.000 8.550) 8.550======================= Grid point 503 (155/180) =======================q-point: ( 0.36 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.785 ( 1.391 0.000 -20.214) 20.262 3.785 ( 1.391 0.000 20.214) 20.262 4.252 ( -12.464 0.000 -2.848) 12.786 4.252 ( -12.464 0.000 2.848) 12.786 5.634 ( 25.310 0.000 -10.764) 27.504 5.634 ( 25.310 0.000 10.764) 27.504 7.005 ( -16.162 0.000 -12.529) 20.449 7.005 ( -16.162 0.000 12.529) 20.449 8.646 ( 17.508 0.000 -18.133) 25.206 8.646 ( 17.508 0.000 18.133) 25.206 9.495 ( -9.023 0.000 -3.517) 9.684 9.495 ( -9.023 0.000 3.517) 9.684 14.276 ( 24.650 0.000 -9.077) 26.268 14.276 ( 24.650 0.000 9.077) 26.268 16.101 ( -27.652 0.000 -13.514) 30.777 16.101 ( -27.652 0.000 13.514) 30.777 19.228 ( 38.595 0.000 -2.176) 38.656 19.228 ( 38.595 0.000 2.176) 38.656 20.943 ( -18.317 0.000 -10.297) 21.013 20.943 ( -18.317 0.000 10.297) 21.013 30.231 ( 11.881 0.000 -26.429) 28.976 30.231 ( 11.881 0.000 26.429) 28.976 31.005 ( -5.346 0.000 -21.512) 22.167 31.005 ( -5.346 0.000 21.512) 22.167 31.707 ( 19.204 0.000 -6.983) 20.434 31.707 ( 19.204 0.000 6.983) 20.434 32.933 ( -18.942 0.000 -16.552) 25.155 32.933 ( -18.942 0.000 16.552) 25.155 35.918 ( 14.805 0.000 -5.080) 15.652 35.918 ( 14.805 0.000 5.080) 15.652 37.952 ( -38.709 0.000 -10.132) 40.013 37.952 ( -38.709 0.000 10.132) 40.013 42.373 ( 22.326 0.000 -3.582) 22.612 42.373 ( 22.326 0.000 3.582) 22.612 43.154 ( -4.489 0.000 -6.446) 7.855 43.154 ( -4.489 0.000 6.446) 7.855======================= Grid point 505 (156/180) =======================q-point: ( 0.45 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.857 ( 5.800 0.000 -16.115) 17.127 3.857 ( 5.800 0.000 16.115) 17.127 4.020 ( -10.000 0.000 -9.919) 14.085 4.020 ( -10.000 0.000 9.919) 14.085 6.148 ( 24.737 0.000 -12.306) 27.629 6.148 ( 24.737 0.000 12.306) 27.629 6.621 ( -21.375 0.000 -12.500) 24.762 6.621 ( -21.375 0.000 12.500) 24.762 8.987 ( 15.678 0.000 -12.444) 20.016 8.987 ( 15.678 0.000 12.444) 20.016 9.275 ( -12.583 0.000 -7.744) 14.775 9.275 ( -12.583 0.000 7.744) 14.775 14.846 ( 30.589 0.000 -12.214) 32.938 14.846 ( 30.589 0.000 12.215) 32.938 15.487 ( -31.724 0.000 -13.796) 34.594 15.487 ( -31.724 0.000 13.796) 34.594 19.944 ( 31.590 0.000 -4.156) 31.862 19.944 ( 31.590 0.000 4.156) 31.862 20.511 ( -24.369 0.000 -6.922) 25.333 20.511 ( -24.369 0.000 6.922) 25.333 30.507 ( 14.804 0.000 -26.513) 30.366 30.507 ( 14.804 0.000 26.513) 30.366 30.804 ( -13.438 0.000 -24.471) 27.918 30.804 ( -13.438 0.000 24.471) 27.918 32.109 ( 20.396 0.000 -12.497) 23.920 32.109 ( 20.396 0.000 12.497) 23.920 32.529 ( -20.576 0.000 -15.246) 25.609 32.529 ( -20.576 0.000 15.246) 25.609 36.417 ( 32.259 0.000 -4.376) 32.555 36.417 ( 32.259 0.000 4.376) 32.555 37.155 ( -38.842 0.000 -9.080) 39.890 37.155 ( -38.842 0.000 9.080) 39.890 42.757 ( 15.552 0.000 -4.087) 16.081 42.757 ( 15.552 0.000 4.087) 16.081 43.011 ( -9.630 0.000 -4.950) 10.828 43.011 ( -9.630 0.000 4.950) 10.828======================= Grid point 517 (157/180) =======================q-point: ( 0.00 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.980 ( 0.000 7.887 -21.380) 22.789 3.980 ( 0.000 7.887 21.380) 22.789 4.163 ( 0.000 6.572 -21.659) 22.634 4.163 ( 0.000 6.572 21.659) 22.634 5.336 ( 0.000 4.182 -8.345) 9.334 5.336 ( 0.000 4.182 8.345) 9.334 7.269 ( 0.000 -5.482 -19.914) 20.655 7.269 ( 0.000 -5.482 19.914) 20.655 7.820 ( 0.000 2.218 -41.799) 41.858 7.820 ( 0.000 2.218 41.799) 41.858 9.718 ( 0.000 -7.257 -5.945) 9.381 9.718 ( 0.000 -7.257 5.945) 9.381 14.213 ( 0.000 8.023 -4.487) 9.192 14.213 ( 0.000 8.023 4.487) 9.192 15.283 ( 0.000 -1.845 -29.143) 29.201 15.283 ( 0.000 -1.845 29.143) 29.201 17.985 ( 0.000 17.705 -11.138) 20.917 17.985 ( 0.000 17.705 11.138) 20.917 21.639 ( 0.000 -6.004 -19.603) 20.502 21.639 ( 0.000 -6.004 19.603) 20.502 30.135 ( 0.000 0.496 -13.074) 13.083 30.135 ( 0.000 0.496 13.074) 13.083 30.163 ( 0.000 9.039 -18.282) 20.395 30.163 ( 0.000 9.039 18.282) 20.395 30.936 ( 0.000 8.644 -18.694) 20.596 30.936 ( 0.000 8.644 18.694) 20.596 33.778 ( 0.000 -2.779 -16.660) 16.890 33.778 ( 0.000 -2.779 16.660) 16.890 37.510 ( 0.000 -1.440 -15.735) 15.801 37.510 ( 0.000 -1.440 15.735) 15.801 39.084 ( 0.000 -29.755 -7.480) 30.681 39.084 ( 0.000 -29.755 7.480) 30.681 40.834 ( 0.000 24.692 -1.250) 24.723 40.834 ( 0.000 24.692 1.250) 24.723 43.000 ( 0.000 -4.403 -13.712) 14.402 43.000 ( 0.000 -4.403 13.712) 14.402======================= Grid point 519 (158/180) =======================q-point: ( 0.09 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.957 ( -1.716 7.854 -9.431) 12.392 3.957 ( -1.716 7.854 9.431) 12.392 4.262 ( 8.952 5.119 -7.984) 13.042 4.262 ( 8.952 5.119 7.984) 13.042 5.245 ( -8.290 3.804 -7.478) 11.794 5.245 ( -8.290 3.804 7.478) 11.794 7.303 ( 2.285 -6.504 -20.866) 21.975 7.303 ( 2.285 -6.504 20.866) 21.975 7.866 ( 5.063 3.507 -41.472) 41.927 7.866 ( 5.063 3.507 41.472) 41.927 9.709 ( -0.954 -6.768 -5.293) 8.645 9.709 ( -0.954 -6.768 5.293) 8.645 13.965 ( -14.627 6.575 -1.394) 16.097 13.965 ( -14.627 6.575 1.394) 16.097 15.807 ( 40.008 -0.032 -19.660) 44.578 15.807 ( 40.008 -0.032 19.660) 44.578 17.943 ( -3.348 16.939 -10.431) 20.173 17.943 ( -3.348 16.939 10.431) 20.173 21.591 ( -4.705 -5.649 -18.922) 20.301 21.591 ( -4.705 -5.649 18.922) 20.301 29.991 ( -4.212 4.769 -10.717) 12.464 29.991 ( -4.212 4.769 10.717) 12.464 30.443 ( 16.731 2.015 -4.650) 17.481 30.443 ( 16.731 2.015 4.650) 17.481 30.969 ( 3.575 10.030 -18.995) 21.776 30.969 ( 3.575 10.030 18.995) 21.776 33.717 ( -5.874 -2.640 -16.882) 18.069 33.717 ( -5.874 -2.640 16.882) 18.069 37.042 ( -36.556 -3.761 -18.301) 41.053 37.042 ( -36.556 -3.761 18.301) 41.053 39.285 ( 8.684 -23.409 -6.880) 25.899 39.285 ( 8.684 -23.409 6.880) 25.899 40.917 ( 10.782 21.110 -1.511) 23.752 40.917 ( 10.782 21.110 1.511) 23.752 43.043 ( 3.705 -4.188 -12.669) 13.848 43.043 ( 3.705 -4.188 12.669) 13.848======================= Grid point 521 (159/180) =======================q-point: ( 0.18 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.916 ( -2.306 7.819 -15.492) 17.506 3.916 ( -2.306 7.819 15.492) 17.506 4.481 ( 10.387 1.753 -12.064) 16.016 4.481 ( 10.387 1.753 12.064) 16.016 5.060 ( -7.139 2.814 -5.938) 9.703 5.060 ( -7.139 2.814 5.938) 9.703 7.304 ( -3.141 -8.508 -17.758) 19.940 7.304 ( -3.141 -8.508 17.758) 19.940 8.047 ( 12.780 5.634 -34.449) 37.173 8.047 ( 12.780 5.634 34.449) 37.173 9.676 ( -2.366 -5.417 -3.420) 6.829 9.676 ( -2.366 -5.417 3.420) 6.829 13.804 ( -0.206 6.513 -1.334) 6.651 13.804 ( -0.206 6.513 1.334) 6.651 16.559 ( 25.855 3.072 -11.073) 28.293 16.559 ( 25.855 3.072 11.073) 28.293 17.952 ( 9.599 13.014 -5.740) 17.160 17.952 ( 9.599 13.014 5.740) 17.160 21.452 ( -8.801 -4.594 -16.965) 19.657 21.452 ( -8.801 -4.594 16.965) 19.657 29.967 ( 1.652 3.646 -16.693) 17.166 29.967 ( 1.652 3.646 16.693) 17.166 30.772 ( 13.734 -4.174 -7.659) 16.270 30.772 ( 13.734 -4.174 7.659) 16.270 31.114 ( 11.517 13.266 -18.206) 25.300 31.114 ( 11.517 13.266 18.206) 25.300 33.543 ( -11.130 -2.179 -17.526) 20.876 33.543 ( -11.130 -2.179 17.526) 20.876 36.305 ( -31.939 -3.785 -19.899) 37.820 36.305 ( -31.939 -3.785 19.899) 37.820 39.188 ( -17.585 -10.662 -8.352) 22.196 39.188 ( -17.584 -10.662 8.352) 22.196 41.318 ( 26.522 9.864 -1.792) 28.353 41.318 ( 26.522 9.864 1.792) 28.353 43.123 ( 3.467 -3.734 -10.325) 11.514 43.123 ( 3.467 -3.734 10.325) 11.514======================= Grid point 523 (160/180) =======================q-point: ( 0.27 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.871 ( -1.824 7.548 -20.520) 21.940 3.871 ( -1.824 7.548 20.520) 21.940 4.511 ( -8.182 1.998 -6.040) 10.365 4.511 ( -8.182 1.998 6.040) 10.365 5.139 ( 15.783 -2.084 -6.542) 17.212 5.139 ( 15.783 -2.084 6.542) 17.212 7.166 ( -10.358 -9.951 -13.805) 19.922 7.166 ( -10.358 -9.951 13.805) 19.922 8.358 ( 16.967 6.307 -24.570) 30.518 8.358 ( 16.967 6.307 24.570) 30.518 9.608 ( -4.496 -3.320 -1.035) 5.684 9.608 ( -4.496 -3.320 1.035) 5.684 13.954 ( 14.396 7.149 -4.575) 16.712 13.954 ( 14.396 7.149 4.575) 16.712 16.651 ( -13.545 8.587 -13.107) 20.712 16.651 ( -13.545 8.587 13.107) 20.712 18.471 ( 37.331 5.855 -6.522) 38.346 18.471 ( 37.331 5.855 6.522) 38.346 21.235 ( -12.655 -2.954 -14.116) 19.187 21.235 ( -12.655 -2.954 14.116) 19.187 30.050 ( 6.425 1.736 -21.667) 22.666 30.050 ( 6.425 1.736 21.667) 22.666 30.969 ( 5.830 -3.905 -12.141) 14.023 30.969 ( 5.830 -3.905 12.141) 14.023 31.407 ( 15.620 8.549 -10.080) 20.462 31.407 ( 15.620 8.549 10.080) 20.462 33.270 ( -15.562 -1.580 -18.083) 23.909 33.270 ( -15.562 -1.580 18.083) 23.909 35.859 ( -10.021 -1.801 -14.848) 18.004 35.859 ( -10.021 -1.801 14.848) 18.004 38.667 ( -31.623 -3.068 -10.221) 33.375 38.667 ( -31.623 -3.068 10.221) 33.375 41.881 ( 26.931 3.018 -2.526) 27.217 41.881 ( 26.931 3.018 2.526) 27.217 43.164 ( 0.263 -3.212 -7.788) 8.428 43.164 ( 0.263 -3.212 7.788) 8.428======================= Grid point 525 (161/180) =======================q-point: ( 0.36 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.858 ( 0.917 6.855 -20.367) 21.509 3.858 ( 0.917 6.855 20.367) 21.509 4.288 ( -11.797 3.419 -4.827) 13.197 4.288 ( -11.797 3.419 4.827) 13.197 5.559 ( 23.303 -6.947 -12.124) 27.171 5.559 ( 23.303 -6.947 12.124) 27.171 6.890 ( -16.562 -10.969 -12.954) 23.715 6.890 ( -16.562 -10.969 12.954) 23.715 8.709 ( 16.985 5.798 -17.233) 24.882 8.709 ( 16.985 5.798 17.233) 24.882 9.487 ( -7.541 -0.674 -3.389) 8.295 9.487 ( -7.541 -0.674 3.389) 8.295 14.361 ( 24.902 7.757 -9.343) 27.705 14.361 ( 24.902 7.757 9.343) 27.705 16.202 ( -27.876 9.301 -15.150) 33.063 16.202 ( -27.876 9.301 15.150) 33.063 19.263 ( 37.923 3.384 -7.729) 38.850 19.263 ( 37.923 3.384 7.729) 38.850 20.932 ( -17.335 -1.043 -11.156) 20.641 20.932 ( -17.335 -1.043 11.156) 20.641 30.228 ( 11.023 -0.158 -24.780) 27.122 30.228 ( 11.023 -0.158 24.780) 27.122 30.984 ( -5.031 -2.276 -18.867) 19.659 30.984 ( -5.031 -2.276 18.867) 19.659 31.731 ( 16.804 2.280 -7.739) 18.640 31.731 ( 16.804 2.280 7.739) 18.640 32.917 ( -18.985 -1.426 -17.566) 25.904 32.917 ( -18.985 -1.426 17.566) 25.904 35.927 ( 16.042 0.866 -3.951) 16.544 35.927 ( 16.042 0.866 3.951) 16.544 37.956 ( -37.466 0.366 -11.274) 39.127 37.956 ( -37.466 0.366 11.274) 39.127 42.375 ( 21.350 0.183 -3.039) 21.566 42.375 ( 21.350 0.183 3.039) 21.566 43.125 ( -4.175 -2.639 -5.680) 7.527 43.125 ( -4.175 -2.639 5.680) 7.527======================= Grid point 527 (162/180) =======================q-point: ( 0.45 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.919 ( 5.198 5.828 -16.504) 18.258 3.919 ( 5.198 5.828 16.504) 18.258 4.068 ( -9.347 4.635 -10.750) 14.980 4.068 ( -9.347 4.635 10.750) 14.980 6.043 ( 23.695 -9.879 -13.348) 28.935 6.043 ( 23.695 -9.879 13.348) 28.935 6.503 ( -21.186 -11.124 -13.258) 27.357 6.503 ( -21.186 -11.124 13.258) 27.357 9.033 ( 14.657 4.324 -11.746) 19.274 9.033 ( 14.657 4.324 11.746) 19.274 9.297 ( -11.195 2.050 -7.270) 13.505 9.297 ( -11.195 2.050 7.270) 13.505 14.935 ( 30.819 8.218 -12.973) 34.433 14.935 ( 30.819 8.218 12.973) 34.433 15.582 ( -32.040 8.738 -14.933) 36.414 15.582 ( -32.040 8.738 14.933) 36.414 19.967 ( 30.966 2.168 -7.975) 32.050 19.967 ( 30.966 2.168 7.975) 32.050 20.520 ( -23.534 0.749 -8.966) 25.195 20.520 ( -23.534 0.749 8.966) 25.195 30.490 ( 14.379 -1.493 -25.673) 29.464 30.490 ( 14.379 -1.493 25.673) 29.464 30.784 ( -13.423 -2.030 -23.962) 27.541 30.784 ( -13.423 -2.030 23.962) 27.541 32.102 ( 19.552 -0.591 -13.289) 23.648 32.102 ( 19.552 -0.591 13.289) 23.648 32.512 ( -20.418 -1.411 -16.059) 26.015 32.512 ( -20.418 -1.411 16.059) 26.015 36.442 ( 32.556 2.282 -5.586) 33.110 36.442 ( 32.556 2.282 5.586) 33.110 37.177 ( -38.338 2.001 -10.279) 39.742 37.177 ( -38.338 2.001 10.279) 39.742 42.744 ( 15.025 -1.167 -3.478) 15.466 42.744 ( 15.025 -1.167 3.478) 15.466 42.990 ( -9.258 -1.994 -4.260) 10.384 42.990 ( -9.258 -1.993 4.260) 10.384======================= Grid point 539 (163/180) =======================q-point: ( 0.00 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.192 ( 0.000 11.835 -20.019) 23.256 4.192 ( 0.000 11.835 20.019) 23.256 4.334 ( 0.000 9.188 -18.023) 20.230 4.334 ( 0.000 9.188 18.023) 20.230 5.474 ( 0.000 9.359 -15.332) 17.963 5.474 ( 0.000 9.359 15.332) 17.963 7.093 ( 0.000 -11.433 -21.900) 24.704 7.093 ( 0.000 -11.433 21.900) 24.704 7.907 ( 0.000 6.566 -39.813) 40.351 7.907 ( 0.000 6.566 39.813) 40.351 9.501 ( 0.000 -13.542 -5.441) 14.594 9.501 ( 0.000 -13.542 5.441) 14.594 14.417 ( 0.000 10.822 -6.172) 12.458 14.417 ( 0.000 10.822 6.172) 12.458 15.225 ( 0.000 -3.733 -27.960) 28.208 15.225 ( 0.000 -3.733 27.960) 28.208 18.500 ( 0.000 31.083 -5.192) 31.513 18.500 ( 0.000 31.083 5.192) 31.513 21.448 ( 0.000 -12.736 -19.897) 23.624 21.448 ( 0.000 -12.736 19.897) 23.624 30.150 ( 0.000 1.028 -18.135) 18.164 30.150 ( 0.000 1.028 18.135) 18.164 30.309 ( 0.000 3.443 -23.530) 23.780 30.309 ( 0.000 3.443 23.530) 23.780 31.292 ( 0.000 26.103 -17.105) 31.208 31.292 ( 0.000 26.103 17.105) 31.208 33.684 ( 0.000 -6.502 -18.551) 19.657 33.684 ( 0.000 -6.502 18.551) 19.657 37.470 ( 0.000 -2.324 -16.053) 16.220 37.470 ( 0.000 -2.324 16.053) 16.220 38.456 ( 0.000 -29.143 -11.384) 31.288 38.456 ( 0.000 -29.143 11.384) 31.288 41.336 ( 0.000 22.804 -4.525) 23.248 41.336 ( 0.000 22.804 4.525) 23.248 42.868 ( 0.000 -8.262 -13.613) 15.924 42.868 ( 0.000 -8.262 13.613) 15.924======================= Grid point 541 (164/180) =======================q-point: ( 0.09 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.170 ( -1.675 11.804 -15.036) 19.189 4.170 ( -1.675 11.804 15.036) 19.189 4.399 ( 5.719 7.628 -12.914) 16.052 4.399 ( 5.719 7.628 12.914) 16.052 5.368 ( -9.546 8.387 -13.443) 18.498 5.368 ( -9.546 8.387 13.443) 18.498 7.101 ( -0.127 -12.957 -20.015) 23.843 7.101 ( -0.127 -12.957 20.015) 23.843 7.983 ( 7.601 7.993 -36.957) 38.568 7.983 ( 7.601 7.993 36.957) 38.568 9.509 ( 0.650 -12.380 -4.865) 13.318 9.509 ( 0.650 -12.380 4.865) 13.318 14.127 ( -15.523 8.347 -7.980) 19.347 14.127 ( -15.523 8.347 7.980) 19.347 15.800 ( 42.137 -0.677 -21.519) 47.319 15.800 ( 42.137 -0.677 21.519) 47.319 18.435 ( -5.701 29.676 -4.867) 30.608 18.435 ( -5.701 29.676 4.867) 30.608 21.411 ( -3.505 -11.839 -19.150) 22.785 21.411 ( -3.505 -11.839 19.150) 22.785 30.088 ( -3.018 4.206 -4.380) 6.781 30.088 ( -3.018 4.206 4.380) 6.781 30.453 ( 10.556 -1.330 -9.957) 14.572 30.453 ( 10.556 -1.330 9.957) 14.572 31.338 ( 4.590 25.210 -18.266) 31.469 31.338 ( 4.590 25.210 18.266) 31.469 33.631 ( -5.199 -5.918 -19.069) 20.632 33.631 ( -5.199 -5.918 19.069) 20.632 36.932 ( -38.321 -6.527 -17.957) 42.820 36.932 ( -38.321 -6.527 17.957) 42.820 38.796 ( 18.472 -22.088 -9.628) 30.361 38.796 ( 18.472 -22.088 9.628) 30.361 41.357 ( 3.766 20.263 -4.073) 21.008 41.357 ( 3.766 20.263 4.073) 21.008 42.920 ( 4.448 -7.560 -11.927) 14.806 42.920 ( 4.448 -7.560 11.927) 14.806======================= Grid point 543 (165/180) =======================q-point: ( 0.18 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.131 ( -2.241 12.030 -16.823) 20.802 4.131 ( -2.241 12.030 16.823) 20.802 4.541 ( 7.229 4.086 -11.446) 14.141 4.541 ( 7.229 4.086 11.446) 14.141 5.144 ( -10.456 5.590 -8.747) 14.734 5.144 ( -10.456 5.590 8.747) 14.734 7.049 ( -5.599 -16.035 -15.760) 23.170 7.049 ( -5.599 -16.035 15.760) 23.170 8.211 ( 14.347 10.049 -29.157) 34.014 8.211 ( 14.347 10.049 29.157) 34.014 9.521 ( 0.405 -9.338 -3.491) 9.977 9.521 ( 0.405 -9.338 3.491) 9.977 13.970 ( 0.617 8.767 -3.991) 9.652 13.970 ( 0.617 8.767 3.991) 9.652 16.621 ( 32.340 2.477 -17.331) 36.775 16.621 ( 32.340 2.477 17.331) 36.775 18.344 ( 0.752 24.174 -5.183) 24.735 18.344 ( 0.752 24.174 5.183) 24.735 21.308 ( -6.586 -9.375 -17.207) 20.672 21.308 ( -6.586 -9.375 17.207) 20.672 30.061 ( 0.423 5.097 -9.011) 10.362 30.061 ( 0.423 5.097 9.011) 10.362 30.676 ( 10.698 -5.130 -3.919) 12.495 30.676 ( 10.698 -5.130 3.919) 12.495 31.472 ( 7.939 20.622 -19.536) 29.494 31.472 ( 7.939 20.622 19.536) 29.494 33.478 ( -9.754 -4.074 -20.610) 23.162 33.478 ( -9.754 -4.074 20.610) 23.162 36.202 ( -30.088 -5.736 -18.564) 35.816 36.202 ( -30.088 -5.736 18.564) 35.816 38.930 ( -6.482 -13.071 -9.357) 17.333 38.930 ( -6.482 -13.071 9.357) 17.333 41.558 ( 16.230 12.223 -3.554) 20.626 41.558 ( 16.230 12.223 3.554) 20.626 43.016 ( 4.323 -6.293 -8.707) 11.580 43.016 ( 4.323 -6.293 8.707) 11.580======================= Grid point 545 (166/180) =======================q-point: ( 0.27 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.082 ( -2.258 12.164 -20.161) 23.654 4.082 ( -2.258 12.164 20.161) 23.654 4.584 ( -5.564 5.374 -4.486) 8.942 4.584 ( -5.564 5.374 4.486) 8.942 5.082 ( 7.318 -3.079 -9.310) 12.236 5.082 ( 7.318 -3.079 9.310) 12.236 6.867 ( -12.122 -18.640 -13.654) 26.093 6.867 ( -12.122 -18.640 13.654) 26.093 8.536 ( 16.804 10.448 -21.115) 28.937 8.536 ( 16.804 10.448 21.115) 28.937 9.517 ( -0.994 -5.269 -2.246) 5.814 9.517 ( -0.994 -5.269 2.246) 5.814 14.140 ( 15.449 10.084 -3.883) 18.853 14.140 ( 15.449 10.084 3.883) 18.853 16.866 ( -8.798 10.993 -17.547) 22.498 16.866 ( -8.798 10.993 17.547) 22.498 18.658 ( 29.895 12.146 -13.331) 34.914 18.658 ( 29.895 12.146 13.331) 34.914 21.142 ( -9.867 -5.962 -14.938) 18.869 21.142 ( -9.867 -5.962 14.938) 18.869 30.105 ( 4.043 3.579 -15.862) 16.756 30.105 ( 4.043 3.579 15.862) 16.756 30.865 ( 7.042 -5.980 -3.567) 9.903 30.865 ( 7.042 -5.980 3.567) 9.903 31.626 ( 6.939 11.667 -14.963) 20.203 31.626 ( 6.939 11.667 14.963) 20.203 33.232 ( -14.575 -1.843 -21.815) 26.300 33.232 ( -14.575 -1.843 21.815) 26.300 35.814 ( -6.362 -2.224 -12.648) 14.332 35.814 ( -6.362 -2.224 12.648) 14.332 38.583 ( -25.535 -4.787 -11.767) 28.521 38.583 ( -25.535 -4.787 11.767) 28.521 41.961 ( 21.588 4.475 -3.662) 22.349 41.961 ( 21.588 4.475 3.662) 22.349 43.074 ( 1.093 -5.139 -5.947) 7.935 43.074 ( 1.093 -5.139 5.947) 7.935======================= Grid point 547 (167/180) =======================q-point: ( 0.36 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.054 ( -0.156 11.596 -20.355) 23.427 4.054 ( -0.156 11.596 20.355) 23.427 4.396 ( -10.383 7.361 -8.402) 15.250 4.396 ( -10.383 7.361 8.402) 15.250 5.366 ( 18.013 -11.189 -15.057) 26.007 5.366 ( 18.013 -11.189 15.057) 26.007 6.566 ( -17.219 -19.925 -13.989) 29.819 6.566 ( -17.219 -19.925 13.989) 29.819 8.869 ( 15.492 9.211 -14.861) 23.360 8.869 ( 15.492 9.211 14.861) 23.360 9.471 ( -3.820 -0.910 -3.304) 5.132 9.471 ( -3.820 -0.910 3.304) 5.132 14.566 ( 25.690 11.265 -9.961) 29.767 14.566 ( 25.690 11.265 9.961) 29.767 16.449 ( -28.114 13.598 -18.182) 36.137 16.449 ( -28.114 13.598 18.182) 36.137 19.363 ( 35.574 6.149 -15.143) 39.149 19.363 ( 35.574 6.149 15.143) 39.149 20.898 ( -14.536 -2.342 -13.453) 19.944 20.898 ( -14.536 -2.342 13.453) 19.944 30.232 ( 8.559 0.732 -20.637) 22.353 30.232 ( 8.559 0.732 20.637) 22.353 30.906 ( -4.080 -5.199 -15.687) 17.023 30.906 ( -4.080 -5.199 15.687) 17.023 31.793 ( 10.968 3.303 -10.947) 15.844 31.793 ( 10.968 3.303 10.947) 15.844 32.886 ( -19.069 -1.208 -20.783) 28.231 32.886 ( -19.069 -1.208 20.783) 28.231 35.955 ( 18.958 1.818 -1.711) 19.122 35.955 ( 18.958 1.818 1.711) 19.122 37.962 ( -34.325 0.112 -13.532) 36.896 37.962 ( -34.325 0.112 13.532) 36.896 42.380 ( 18.871 0.326 -3.717) 19.236 42.380 ( 18.871 0.326 3.717) 19.236 43.053 ( -3.334 -4.106 -4.264) 6.794 43.053 ( -3.334 -4.106 4.264) 6.794======================= Grid point 549 (168/180) =======================q-point: ( 0.45 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.089 ( 3.729 10.307 -17.398) 20.563 4.089 ( 3.729 10.307 17.398) 20.563 4.207 ( -7.820 8.741 -12.867) 17.410 4.207 ( -7.820 8.741 12.867) 17.410 5.764 ( 20.567 -16.356 -15.615) 30.568 5.764 ( 20.567 -16.356 15.615) 30.568 6.182 ( -20.118 -19.268 -14.960) 31.620 6.182 ( -20.118 -19.268 14.960) 31.620 9.151 ( 12.069 6.696 -10.038) 17.066 9.151 ( 12.069 6.696 10.038) 17.066 9.354 ( -7.815 3.211 -6.216) 10.489 9.354 ( -7.815 3.211 6.216) 10.489 15.155 ( 31.485 12.145 -14.611) 36.773 15.155 ( 31.485 12.145 14.611) 36.773 15.816 ( -32.824 12.990 -17.279) 39.303 15.816 ( -32.824 12.990 17.279) 39.303 20.028 ( 29.102 3.533 -14.269) 32.604 20.028 ( 29.102 3.533 14.269) 32.604 20.538 ( -21.172 0.903 -13.357) 25.049 20.538 ( -21.172 0.903 13.357) 25.049 30.451 ( 12.651 -2.137 -23.133) 26.453 30.451 ( 12.651 -2.137 23.133) 26.453 30.719 ( -12.675 -4.089 -22.631) 26.259 30.719 ( -12.675 -4.089 22.631) 26.259 32.090 ( 17.648 -0.552 -16.345) 24.060 32.090 ( 17.648 -0.552 16.345) 24.060 32.481 ( -20.206 -1.390 -19.009) 27.777 32.481 ( -20.206 -1.390 19.009) 27.777 36.504 ( 33.034 3.528 -8.474) 34.286 36.504 ( 33.034 3.528 8.474) 34.286 37.229 ( -36.916 2.753 -12.885) 39.197 37.229 ( -36.916 2.753 12.885) 39.197 42.712 ( 13.673 -1.780 -3.612) 14.253 42.712 ( 13.673 -1.780 3.612) 14.253 42.935 ( -8.304 -3.070 -3.637) 9.571 42.935 ( -8.304 -3.070 3.637) 9.571======================= Grid point 561 (169/180) =======================q-point: ( 0.00 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.427 ( 0.000 10.013 -18.705) 21.216 4.427 ( 0.000 10.013 18.705) 21.216 4.507 ( 0.000 6.937 -15.196) 16.704 4.507 ( 0.000 6.937 15.196) 16.704 5.725 ( 0.000 14.843 -18.975) 24.091 5.725 ( 0.000 14.843 18.975) 24.091 6.808 ( 0.000 -15.905 -20.191) 25.703 6.808 ( 0.000 -15.905 20.191) 25.703 8.099 ( 0.000 12.105 -31.736) 33.966 8.099 ( 0.000 12.105 31.736) 33.966 9.173 ( 0.000 -17.874 -7.392) 19.343 9.173 ( 0.000 -17.874 7.392) 19.343 14.636 ( 0.000 10.124 -15.056) 18.143 14.636 ( 0.000 10.124 15.056) 18.143 15.129 ( 0.000 -5.589 -26.284) 26.872 15.129 ( 0.000 -5.589 26.284) 26.872 19.211 ( 0.000 36.491 -12.812) 38.674 19.211 ( 0.000 36.491 12.812) 38.674 21.107 ( 0.000 -20.368 -20.226) 28.705 21.107 ( 0.000 -20.368 20.226) 28.705 30.178 ( 0.000 1.659 -21.922) 21.984 30.178 ( 0.000 1.659 21.922) 21.984 30.319 ( 0.000 -1.549 -22.171) 22.225 30.319 ( 0.000 -1.549 22.171) 22.225 31.939 ( 0.000 34.119 -18.452) 38.789 31.939 ( 0.000 34.119 18.452) 38.789 33.494 ( 0.000 -12.426 -20.261) 23.768 33.494 ( 0.000 -12.426 20.261) 23.768 37.427 ( 0.000 -1.326 -16.047) 16.101 37.427 ( 0.000 -1.326 16.047) 16.101 37.928 ( 0.000 -21.349 -13.322) 25.164 37.928 ( 0.000 -21.349 13.322) 25.164 41.762 ( 0.000 18.613 -7.516) 20.073 41.762 ( 0.000 18.613 7.516) 20.073 42.665 ( 0.000 -11.229 -13.155) 17.295 42.665 ( 0.000 -11.229 13.155) 17.295======================= Grid point 563 (170/180) =======================q-point: ( 0.09 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.398 ( -1.945 9.188 -16.115) 18.652 4.398 ( -1.945 9.188 16.115) 18.652 4.554 ( 3.617 6.815 -16.177) 17.923 4.554 ( 3.617 6.815 16.177) 17.923 5.600 ( -11.353 14.239 -16.918) 24.857 5.600 ( -11.353 14.239 16.918) 24.857 6.780 ( -3.276 -17.827 -17.653) 25.302 6.780 ( -3.276 -17.827 17.653) 25.302 8.197 ( 9.336 12.706 -28.712) 32.756 8.197 ( 9.336 12.706 28.712) 32.756 9.210 ( 3.491 -16.164 -6.805) 17.882 9.210 ( 3.491 -16.164 6.805) 17.882 14.282 ( -16.151 6.193 -13.607) 22.008 14.282 ( -16.151 6.193 13.607) 22.008 15.780 ( 44.161 -1.077 -23.377) 49.979 15.780 ( 44.161 -1.077 23.377) 49.979 19.108 ( -9.555 33.807 -13.460) 37.622 19.108 ( -9.555 33.807 13.460) 37.622 21.101 ( -0.703 -18.078 -19.299) 26.453 21.101 ( -0.703 -18.078 19.299) 26.453 30.165 ( -0.463 3.446 -10.131) 10.711 30.165 ( -0.463 3.446 10.131) 10.711 30.400 ( 6.828 -3.422 -11.303) 13.642 30.400 ( 6.828 -3.422 11.303) 13.642 31.936 ( -0.380 30.571 -18.647) 35.811 31.936 ( -0.380 30.571 18.647) 35.811 33.463 ( -2.883 -10.516 -21.627) 24.220 33.463 ( -2.883 -10.516 21.627) 24.220 36.792 ( -39.161 -6.433 -16.991) 43.170 36.792 ( -39.161 -6.433 16.991) 43.170 38.414 ( 24.403 -14.451 -11.924) 30.765 38.414 ( 24.403 -14.451 11.924) 30.765 41.731 ( -1.285 15.725 -7.629) 17.525 41.731 ( -1.285 15.725 7.629) 17.525 42.743 ( 6.454 -9.203 -10.587) 15.441 42.743 ( 6.454 -9.203 10.587) 15.441======================= Grid point 565 (171/180) =======================q-point: ( 0.18 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.360 ( -1.782 8.991 -15.765) 18.236 4.360 ( -1.782 8.991 15.765) 18.236 4.642 ( 5.064 5.112 -15.287) 16.896 4.642 ( 5.064 5.112 15.287) 16.896 5.317 ( -15.210 12.039 -13.290) 23.514 5.317 ( -15.210 12.039 13.290) 23.514 6.656 ( -9.031 -21.533 -14.626) 27.553 6.656 ( -9.031 -21.533 14.626) 27.553 8.452 ( 14.944 13.038 -22.495) 29.989 8.452 ( 14.944 13.038 22.495) 29.989 9.300 ( 4.863 -11.968 -5.516) 14.047 9.300 ( 4.863 -11.968 5.516) 14.047 14.137 ( 1.910 6.848 -6.541) 9.661 14.137 ( 1.910 6.848 6.541) 9.661 16.655 ( 37.252 0.899 -21.321) 42.932 16.655 ( 37.252 0.899 21.321) 42.932 18.890 ( -8.681 26.809 -15.760) 32.287 18.890 ( -8.681 26.809 15.760) 32.287 21.072 ( -2.319 -12.996 -17.456) 21.886 21.072 ( -2.319 -12.996 17.456) 21.886 30.168 ( 0.695 5.147 -4.992) 7.203 30.168 ( 0.695 5.147 4.992) 7.203 30.564 ( 8.860 -5.483 -6.033) 12.040 30.564 ( 8.860 -5.483 6.033) 12.040 31.913 ( -2.195 20.569 -17.408) 27.036 31.913 ( -2.195 20.569 17.408) 27.036 33.379 ( -5.671 -5.318 -25.450) 26.611 33.379 ( -5.671 -5.318 25.450) 26.611 36.088 ( -27.335 -4.875 -16.788) 32.447 36.088 ( -27.335 -4.875 16.788) 32.447 38.687 ( 1.227 -9.887 -10.814) 14.704 38.687 ( 1.227 -9.887 10.814) 14.704 41.791 ( 8.271 9.807 -8.504) 15.392 41.791 ( 8.271 9.807 8.504) 15.392 42.878 ( 6.044 -6.572 -7.249) 11.501 42.878 ( 6.044 -6.572 7.249) 11.501======================= Grid point 567 (172/180) =======================q-point: ( 0.27 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.324 ( -1.689 9.962 -17.417) 20.136 4.324 ( -1.689 9.962 17.417) 20.136 4.734 ( 1.373 7.578 -4.117) 8.733 4.734 ( 1.373 7.578 4.117) 8.733 5.053 ( -7.374 2.771 -8.508) 11.595 5.053 ( -7.374 2.771 8.508) 11.595 6.418 ( -14.124 -24.238 -14.373) 31.521 6.418 ( -14.124 -24.238 14.373) 31.521 8.771 ( 15.695 11.931 -16.602) 25.774 8.771 ( 15.695 11.931 16.602) 25.774 9.392 ( 3.871 -6.933 -4.267) 9.014 9.392 ( 3.871 -6.933 4.267) 9.014 14.336 ( 16.895 8.228 -3.424) 19.101 14.336 ( 16.895 8.228 3.424) 19.101 17.062 ( -1.158 7.366 -19.886) 21.238 17.062 ( -1.158 7.366 19.886) 21.238 18.950 ( 17.913 14.964 -21.063) 31.439 18.950 ( 17.913 14.964 21.063) 31.439 20.997 ( -5.415 -7.699 -16.288) 18.812 20.997 ( -5.415 -7.699 16.288) 18.812 30.193 ( 1.915 4.659 -10.918) 12.024 30.193 ( 1.915 4.659 10.918) 12.024 30.734 ( 6.818 -6.375 -9.396) 13.244 30.734 ( 6.818 -6.375 9.396) 13.244 31.848 ( -3.312 9.015 -12.707) 15.929 31.848 ( -3.312 9.015 12.707) 15.929 33.204 ( -12.346 -0.743 -27.835) 30.459 33.204 ( -12.346 -0.743 27.835) 30.459 35.776 ( -1.896 -1.302 -10.038) 10.298 35.776 ( -1.896 -1.302 10.038) 10.298 38.484 ( -19.552 -4.432 -13.060) 23.926 38.484 ( -19.552 -4.432 13.060) 23.926 42.052 ( 16.042 3.977 -8.721) 18.688 42.052 ( 16.042 3.977 8.721) 18.688 42.967 ( 2.372 -4.875 -5.949) 8.048 42.967 ( 2.372 -4.875 5.949) 8.048======================= Grid point 569 (173/180) =======================q-point: ( 0.36 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.301 ( -0.242 11.325 -18.564) 21.747 4.301 ( -0.242 11.325 18.564) 21.747 4.611 ( -9.888 13.998 -13.368) 21.735 4.611 ( -9.888 13.998 13.368) 21.735 5.124 ( 10.983 -11.640 -17.924) 24.029 5.124 ( 10.983 -11.640 17.924) 24.029 6.097 ( -17.012 -24.640 -15.464) 33.700 6.097 ( -17.012 -24.640 15.464) 33.700 9.068 ( 13.063 9.574 -11.817) 20.048 9.068 ( 13.063 9.574 11.817) 20.048 9.443 ( 0.820 -2.048 -3.928) 4.505 9.443 ( 0.820 -2.048 3.928) 4.505 14.788 ( 26.774 9.433 -10.603) 30.303 14.788 ( 26.774 9.433 10.603) 30.303 16.716 ( -27.619 11.225 -20.355) 36.099 16.716 ( -27.619 11.225 20.355) 36.099 19.503 ( 31.371 6.836 -22.485) 39.197 19.503 ( 31.371 6.836 22.485) 39.197 20.838 ( -10.553 -3.190 -16.629) 19.951 20.838 ( -10.553 -3.190 16.629) 19.951 30.261 ( 5.160 1.977 -16.055) 16.979 30.261 ( 5.160 1.977 16.055) 16.979 30.783 ( -3.127 -6.194 -17.580) 18.900 30.783 ( -3.127 -6.194 17.580) 18.900 31.851 ( 5.439 2.122 -15.224) 16.305 31.851 ( 5.439 2.122 15.224) 16.305 32.874 ( -19.306 0.031 -26.135) 32.492 32.874 ( -19.306 0.031 26.135) 32.492 35.998 ( 21.849 2.145 -3.421) 22.219 35.998 ( 21.849 2.145 3.421) 22.219 37.959 ( -30.724 -0.377 -15.521) 34.424 37.959 ( -30.724 -0.377 15.521) 34.424 42.388 ( 16.001 0.368 -8.272) 18.017 42.388 ( 16.001 0.368 8.272) 18.017 42.969 ( -2.260 -3.711 -6.138) 7.520 42.969 ( -2.260 -3.711 6.138) 7.520======================= Grid point 571 (174/180) =======================q-point: ( 0.45 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.327 ( 3.034 12.294 -17.973) 21.986 4.327 ( 3.034 12.294 17.973) 21.986 4.431 ( -7.194 13.052 -16.140) 21.968 4.431 ( -7.194 13.052 16.140) 21.968 5.402 ( 15.675 -17.872 -17.737) 29.660 5.402 ( 15.675 -17.872 17.737) 29.660 5.743 ( -17.454 -22.403 -16.684) 32.938 5.743 ( -17.454 -22.403 16.684) 32.938 9.290 ( 8.652 6.315 -8.047) 13.398 9.290 ( 8.652 6.315 8.047) 13.398 9.416 ( -3.674 2.395 -5.292) 6.874 9.416 ( -3.674 2.395 5.292) 6.874 15.396 ( 32.340 10.317 -16.122) 37.580 15.396 ( 32.340 10.317 16.122) 37.580 16.075 ( -33.638 11.059 -19.290) 40.323 16.075 ( -33.638 11.059 19.290) 40.323 20.102 ( 26.327 3.420 -20.628) 33.620 20.102 ( 26.327 3.420 20.628) 33.620 20.552 ( -17.908 0.447 -18.320) 25.623 20.552 ( -17.908 0.447 18.320) 25.623 30.411 ( 9.481 -1.583 -19.816) 22.024 30.411 ( 9.481 -1.583 19.816) 22.024 30.626 ( -10.676 -4.575 -21.534) 24.467 30.626 ( -10.676 -4.575 21.534) 24.467 32.081 ( 16.124 -0.285 -21.690) 27.028 32.081 ( 16.124 -0.285 21.690) 27.028 32.461 ( -20.381 -0.478 -24.181) 31.628 32.461 ( -20.381 -0.478 24.181) 31.628 36.576 ( 33.103 3.159 -11.610) 35.221 36.576 ( 33.103 3.159 11.610) 35.221 37.281 ( -35.029 2.118 -15.463) 38.348 37.281 ( -35.029 2.118 15.463) 38.348 42.677 ( 12.094 -1.552 -7.549) 14.341 42.677 ( 12.094 -1.552 7.549) 14.341 42.873 ( -7.185 -2.722 -6.800) 10.260 42.873 ( -7.185 -2.722 6.800) 10.260======================= Grid point 583 (175/180) =======================q-point: ( 0.00 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.579 ( 0.000 4.304 -17.252) 17.781 4.579 ( 0.000 4.304 17.252) 17.781 4.602 ( 0.000 1.929 -15.487) 15.607 4.602 ( 0.000 1.929 15.487) 15.607 6.071 ( 0.000 18.118 -19.226) 26.418 6.071 ( 0.000 18.118 19.226) 26.418 6.451 ( 0.000 -18.257 -18.929) 26.299 6.451 ( 0.000 -18.257 18.929) 26.299 8.403 ( 0.000 17.060 -21.788) 27.672 8.403 ( 0.000 17.060 21.788) 27.672 8.784 ( 0.000 -19.254 -13.137) 23.309 8.784 ( 0.000 -19.254 13.137) 23.309 14.831 ( 0.000 8.727 -20.802) 22.558 14.831 ( 0.000 8.727 20.802) 22.558 14.996 ( 0.000 -7.260 -24.113) 25.182 14.996 ( 0.000 -7.260 24.113) 25.182 19.954 ( 0.000 34.487 -18.080) 38.939 19.954 ( 0.000 34.487 18.080) 38.939 20.605 ( 0.000 -28.189 -20.016) 34.572 20.605 ( 0.000 -28.189 20.016) 34.572 30.219 ( 0.000 2.328 -23.243) 23.359 30.219 ( 0.000 2.328 23.243) 23.359 30.272 ( 0.000 -2.634 -22.630) 22.782 30.272 ( 0.000 -2.634 22.630) 22.782 32.618 ( 0.000 30.260 -20.564) 36.586 32.618 ( 0.000 30.260 20.564) 36.586 33.152 ( 0.000 -21.132 -21.035) 29.817 33.152 ( 0.000 -21.132 21.035) 29.817 37.440 ( 0.000 3.263 -15.391) 15.733 37.440 ( 0.000 3.263 15.391) 15.733 37.588 ( 0.000 -11.589 -14.392) 18.478 37.588 ( 0.000 -11.589 14.392) 18.478 42.112 ( 0.000 15.545 -10.109) 18.543 42.112 ( 0.000 15.545 10.109) 18.543 42.410 ( 0.000 -13.414 -12.035) 18.022 42.410 ( 0.000 -13.414 12.035) 18.022======================= Grid point 585 (176/180) =======================q-point: ( 0.09 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.526 ( -2.737 3.089 -14.565) 15.139 4.526 ( -2.737 3.089 14.565) 15.139 4.657 ( 3.072 2.734 -18.265) 18.722 4.657 ( 3.072 2.734 18.265) 18.722 5.946 ( -11.471 18.321 -17.457) 27.785 5.946 ( -11.471 18.321 17.457) 27.785 6.386 ( -6.476 -19.402 -17.164) 26.702 6.386 ( -6.476 -19.402 17.164) 26.702 8.499 ( 8.988 16.212 -19.877) 27.179 8.499 ( 8.988 16.212 19.877) 27.179 8.858 ( 6.862 -17.481 -11.993) 22.282 8.858 ( 6.862 -17.481 11.993) 22.282 14.371 ( -16.507 2.250 -16.436) 23.403 14.371 ( -16.507 2.250 16.436) 23.403 15.762 ( 45.471 -0.536 -24.731) 51.764 15.762 ( 45.471 -0.536 24.731) 51.764 19.740 ( -17.920 23.419 -19.713) 35.470 19.740 ( -17.920 23.419 19.713) 35.470 20.704 ( 7.058 -17.266 -18.603) 26.344 20.704 ( 7.058 -17.266 18.603) 26.344 30.233 ( 1.386 3.009 -15.115) 15.474 30.233 ( 1.386 3.009 15.115) 15.474 30.326 ( 5.029 -3.262 -16.339) 17.404 30.326 ( 5.029 -3.262 16.339) 17.404 32.503 ( -10.262 20.874 -17.652) 29.200 32.503 ( -10.262 20.874 17.652) 29.200 33.207 ( 4.369 -12.503 -25.070) 28.354 33.207 ( 4.369 -12.503 25.070) 28.354 36.693 ( -38.916 -2.689 -16.034) 42.176 36.693 ( -38.916 -2.689 16.034) 42.176 38.211 ( 26.786 -5.004 -13.332) 30.336 38.211 ( 26.786 -5.004 13.332) 30.336 41.987 ( -6.936 7.904 -12.396) 16.256 41.987 ( -6.936 7.904 12.396) 16.256 42.571 ( 10.882 -6.020 -9.362) 15.567 42.571 ( 10.882 -6.020 9.362) 15.567======================= Grid point 587 (177/180) =======================q-point: ( 0.18 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.482 ( -1.490 2.852 -13.781) 14.152 4.482 ( -1.490 2.852 13.781) 14.152 4.719 ( 3.104 1.869 -19.320) 19.657 4.719 ( 3.104 1.869 19.320) 19.657 5.648 ( -16.788 18.455 -16.734) 30.041 5.648 ( -16.788 18.455 16.734) 30.041 6.194 ( -12.090 -21.454 -16.491) 29.637 6.194 ( -12.090 -21.454 16.491) 29.637 8.736 ( 13.397 13.991 -16.160) 25.226 8.736 ( 13.397 13.991 16.160) 25.226 9.034 ( 9.729 -13.462 -9.591) 19.180 9.034 ( 9.729 -13.462 9.591) 19.180 14.236 ( 2.883 2.541 -7.842) 8.733 14.236 ( 2.883 2.541 7.842) 8.733 16.665 ( 39.567 0.148 -23.547) 46.043 16.665 ( 39.567 0.148 23.547) 46.043 19.347 ( -17.614 14.096 -22.820) 32.089 19.347 ( -17.614 14.096 22.820) 32.089 20.824 ( 4.147 -8.580 -17.600) 20.014 20.824 ( 4.147 -8.580 17.600) 20.014 30.264 ( 1.262 3.503 -13.503) 14.007 30.264 ( 1.262 3.503 13.503) 14.007 30.462 ( 7.980 -3.705 -18.035) 20.066 30.462 ( 7.980 -3.705 18.035) 20.066 32.245 ( -14.088 9.589 -12.939) 21.397 32.245 ( -14.088 9.589 12.939) 21.397 33.279 ( 1.347 -3.382 -31.657) 31.865 33.279 ( 1.347 -3.382 31.657) 31.865 36.016 ( -25.164 -1.854 -15.557) 29.642 36.016 ( -25.164 -1.854 15.557) 29.642 38.543 ( 4.818 -3.692 -12.016) 13.462 38.543 ( 4.818 -3.692 12.016) 13.462 41.940 ( 3.331 4.075 -14.161) 15.107 41.940 ( 3.331 4.075 14.161) 15.107 42.771 ( 8.178 -3.151 -8.572) 12.259 42.771 ( 8.178 -3.151 8.572) 12.259======================= Grid point 589 (178/180) =======================q-point: ( 0.27 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.468 ( 0.152 3.755 -14.771) 15.242 4.468 ( 0.152 3.755 14.771) 15.242 4.791 ( 4.251 -0.592 -18.594) 19.083 4.791 ( 4.251 -0.592 18.594) 19.083 5.298 ( -17.066 17.578 -17.496) 30.105 5.298 ( -17.066 17.578 17.496) 30.105 5.913 ( -15.088 -22.327 -17.076) 31.902 5.913 ( -15.088 -22.327 17.076) 31.902 9.012 ( 13.086 10.976 -12.473) 21.150 9.012 ( 13.086 10.976 12.473) 21.150 9.228 ( 8.838 -8.923 -7.213) 14.483 9.228 ( 8.838 -8.923 7.213) 14.483 14.457 ( 17.936 3.122 -3.283) 18.499 14.457 ( 17.936 3.122 3.283) 18.499 17.162 ( 4.406 2.362 -20.979) 21.566 17.162 ( 4.406 2.362 20.979) 21.566 19.203 ( 7.842 7.566 -27.244) 29.342 19.203 ( 7.842 7.566 27.244) 29.342 20.860 ( -0.809 -4.279 -17.918) 18.439 20.860 ( -0.809 -4.279 17.918) 18.439 30.280 ( 0.491 2.957 -13.620) 13.946 30.280 ( 0.491 2.957 13.620) 13.946 30.623 ( 6.699 -3.566 -20.602) 21.956 30.623 ( 6.699 -3.566 20.602) 21.956 31.976 ( -10.855 3.163 -10.809) 15.642 31.976 ( -10.855 3.163 10.809) 15.642 33.199 ( -10.227 0.027 -33.487) 35.014 33.199 ( -10.227 0.027 33.487) 35.014 35.761 ( 1.185 -0.308 -8.291) 8.381 35.761 ( 1.185 -0.308 8.291) 8.381 38.416 ( -16.049 -1.842 -13.893) 21.306 38.416 ( -16.049 -1.842 13.893) 21.306 42.113 ( 12.484 1.653 -13.942) 18.787 42.113 ( 12.484 1.652 13.942) 18.787 42.891 ( 3.543 -2.078 -9.051) 9.940 42.891 ( 3.543 -2.078 9.051) 9.940======================= Grid point 591 (179/180) =======================q-point: ( 0.36 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.491 ( 2.344 6.295 -16.743) 18.040 4.491 ( 2.344 6.295 16.743) 18.040 4.898 ( 5.816 -2.566 -13.182) 14.634 4.898 ( 5.816 -2.566 13.182) 14.634 4.978 ( -13.332 12.916 -16.622) 24.917 4.978 ( -13.332 12.916 16.623) 24.918 5.600 ( -15.241 -21.010 -17.331) 31.210 5.600 ( -15.241 -21.010 17.331) 31.210 9.247 ( 9.726 7.502 -9.202) 15.348 9.247 ( 9.726 7.502 9.202) 15.348 9.377 ( 5.447 -4.506 -5.546) 8.985 9.377 ( 5.447 -4.506 5.546) 8.985 14.928 ( 27.556 3.628 -10.995) 29.889 14.928 ( 27.556 3.628 10.995) 29.889 16.881 ( -26.737 4.224 -21.267) 34.424 16.881 ( -26.737 4.224 21.267) 34.424 19.615 ( 27.315 3.270 -27.966) 39.229 19.615 ( 27.315 3.270 27.966) 39.229 20.782 ( -7.163 -1.732 -19.541) 20.884 20.782 ( -7.163 -1.732 19.541) 20.884 30.303 ( 2.322 1.520 -14.994) 15.248 30.303 ( 2.322 1.520 14.994) 15.248 30.678 ( -2.317 -3.215 -23.469) 23.802 30.678 ( -2.317 -3.215 23.469) 23.802 31.878 ( 2.632 0.583 -19.178) 19.367 31.878 ( 2.632 0.583 19.178) 19.367 32.880 ( -19.672 0.297 -30.574) 36.357 32.880 ( -19.672 0.297 30.574) 36.357 36.033 ( 23.451 1.005 -5.633) 24.139 36.033 ( 23.451 1.005 5.633) 24.139 37.951 ( -28.331 -0.282 -16.682) 32.878 37.951 ( -28.331 -0.282 16.682) 32.878 42.394 ( 14.060 0.180 -12.825) 19.032 42.394 ( 14.060 0.180 12.825) 19.032 42.912 ( -1.454 -1.505 -9.810) 10.030 42.912 ( -1.454 -1.505 9.810) 10.030======================= Grid point 593 (180/180) =======================q-point: ( 0.45 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.570 ( 5.615 9.850 -18.428) 21.637 4.570 ( 5.615 9.850 18.428) 21.637 4.727 ( -9.883 13.580 -19.241) 25.540 4.727 ( -9.883 13.580 19.241) 25.540 5.072 ( 9.944 -12.066 -17.899) 23.766 5.072 ( 9.944 -12.066 17.899) 23.767 5.308 ( -13.174 -17.343 -17.306) 27.818 5.308 ( -13.174 -17.343 17.306) 27.818 9.397 ( 4.802 3.716 -6.621) 8.984 9.397 ( 4.802 3.716 6.621) 8.984 9.440 ( 0.577 -0.297 -5.238) 5.278 9.440 ( 0.577 -0.297 5.238) 5.278 15.549 ( 32.930 3.996 -16.957) 37.255 15.549 ( 32.930 3.996 16.957) 37.255 16.239 ( -34.095 4.280 -20.324) 39.924 16.239 ( -34.095 4.280 20.324) 39.924 20.156 ( 23.968 1.475 -25.322) 34.898 20.156 ( 23.968 1.475 25.322) 34.898 20.557 ( -15.288 0.043 -22.195) 26.951 20.557 ( -15.288 0.043 22.195) 26.951 30.390 ( 6.436 -0.409 -18.441) 19.536 30.390 ( 6.436 -0.409 18.441) 19.536 30.551 ( -8.498 -2.168 -22.471) 24.122 30.551 ( -8.498 -2.168 22.471) 24.122 32.077 ( 15.586 -0.083 -25.862) 30.196 32.077 ( 15.586 -0.083 25.862) 30.196 32.458 ( -20.761 -0.012 -28.289) 35.090 32.458 ( -20.761 -0.012 28.289) 35.090 36.624 ( 32.865 1.269 -13.640) 35.606 36.624 ( 32.865 1.269 13.640) 35.606 37.311 ( -33.624 0.758 -17.058) 37.711 37.311 ( -33.624 0.758 17.058) 37.711 42.653 ( 11.029 -0.608 -11.620) 16.033 42.653 ( 11.029 -0.608 11.620) 16.033 42.832 ( -6.427 -1.083 -10.629) 12.468 42.832 ( -6.427 -1.083 10.629) 12.468=================== 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 3/35640 10.0 212.531 357.760 404.295 0.000 0.000 -0.000 3/35640 20.0 583.669 587.805 986.506 0.000 0.000 -0.000 3/35640 30.0 393.856 341.595 487.698 0.000 0.000 -0.000 3/35640 40.0 241.397 193.475 250.328 0.000 0.000 -0.000 3/35640 50.0 159.003 124.640 157.169 0.000 0.000 -0.000 3/35640 60.0 113.928 89.246 112.557 0.000 0.000 -0.000 3/35640 70.0 87.570 68.965 87.757 0.000 0.000 -0.000 3/35640 80.0 70.925 56.244 72.381 0.000 0.000 -0.000 3/35640 90.0 59.672 47.654 62.018 0.000 0.000 -0.000 3/35640 100.0 51.628 41.497 54.557 0.000 0.000 -0.000 3/35640 110.0 45.612 36.866 48.899 0.000 0.000 -0.000 3/35640 120.0 40.948 33.246 44.429 0.000 0.000 -0.000 3/35640 130.0 37.223 30.327 40.784 0.000 0.000 -0.000 3/35640 140.0 34.174 27.915 37.736 0.000 0.000 -0.000 3/35640 150.0 31.627 25.882 35.138 0.000 0.000 -0.000 3/35640 160.0 29.459 24.138 32.888 0.000 0.000 -0.000 3/35640 170.0 27.587 22.621 30.913 0.000 0.000 -0.000 3/35640 180.0 25.948 21.286 29.161 0.000 0.000 -0.000 3/35640 190.0 24.497 20.099 27.592 0.000 0.000 -0.000 3/35640 200.0 23.199 19.033 26.176 0.000 0.000 -0.000 3/35640 210.0 22.028 18.070 24.890 0.000 0.000 -0.000 3/35640 220.0 20.964 17.194 23.714 0.000 0.000 -0.000 3/35640 230.0 19.992 16.391 22.634 0.000 0.000 -0.000 3/35640 240.0 19.099 15.654 21.637 0.000 0.000 -0.000 3/35640 250.0 18.275 14.972 20.715 0.000 0.000 -0.000 3/35640 260.0 17.512 14.341 19.858 0.000 0.000 -0.000 3/35640 270.0 16.803 13.755 19.060 0.000 0.000 -0.000 3/35640 280.0 16.142 13.208 18.316 0.000 0.000 -0.000 3/35640 290.0 15.526 12.698 17.620 0.000 0.000 -0.000 3/35640 300.0 14.949 12.220 16.967 0.000 0.000 -0.000 3/35640 310.0 14.408 11.773 16.355 0.000 0.000 -0.000 3/35640 320.0 13.900 11.353 15.780 0.000 0.000 -0.000 3/35640 330.0 13.423 10.958 15.239 0.000 0.000 -0.000 3/35640 340.0 12.974 10.587 14.729 0.000 0.000 -0.000 3/35640 350.0 12.550 10.237 14.248 0.000 0.000 -0.000 3/35640 360.0 12.151 9.907 13.795 0.000 0.000 -0.000 3/35640 370.0 11.773 9.595 13.366 0.000 0.000 -0.000 3/35640 380.0 11.416 9.300 12.960 0.000 0.000 -0.000 3/35640 390.0 11.079 9.021 12.576 0.000 0.000 -0.000 3/35640 400.0 10.759 8.757 12.212 0.000 0.000 -0.000 3/35640 410.0 10.455 8.507 11.867 0.000 0.000 -0.000 3/35640 420.0 10.167 8.269 11.539 0.000 0.000 -0.000 3/35640 430.0 9.893 8.043 11.227 0.000 0.000 -0.000 3/35640 440.0 9.633 7.829 10.931 0.000 0.000 -0.000 3/35640 450.0 9.385 7.625 10.649 0.000 0.000 -0.000 3/35640 460.0 9.149 7.431 10.380 0.000 0.000 -0.000 3/35640 470.0 8.924 7.246 10.124 0.000 0.000 -0.000 3/35640 480.0 8.709 7.069 9.880 0.000 0.000 -0.000 3/35640 490.0 8.504 6.900 9.646 0.000 0.000 -0.000 3/35640 500.0 8.308 6.739 9.423 0.000 0.000 -0.000 3/35640 510.0 8.121 6.585 9.210 0.000 0.000 -0.000 3/35640 520.0 7.941 6.438 9.006 0.000 0.000 -0.000 3/35640 530.0 7.769 6.297 8.810 0.000 0.000 -0.000 3/35640 540.0 7.605 6.162 8.623 0.000 0.000 -0.000 3/35640 550.0 7.446 6.032 8.443 0.000 0.000 -0.000 3/35640 560.0 7.295 5.908 8.270 0.000 0.000 -0.000 3/35640 570.0 7.149 5.789 8.104 0.000 0.000 -0.000 3/35640 580.0 7.009 5.674 7.945 0.000 0.000 -0.000 3/35640 590.0 6.874 5.563 7.791 0.000 0.000 -0.000 3/35640 600.0 6.744 5.457 7.644 0.000 0.000 -0.000 3/35640 610.0 6.619 5.355 7.502 0.000 0.000 -0.000 3/35640 620.0 6.499 5.257 7.365 0.000 0.000 -0.000 3/35640 630.0 6.383 5.162 7.232 0.000 0.000 -0.000 3/35640 640.0 6.271 5.070 7.105 0.000 0.000 -0.000 3/35640 650.0 6.162 4.982 6.982 0.000 0.000 -0.000 3/35640 660.0 6.058 4.896 6.863 0.000 0.000 -0.000 3/35640 670.0 5.957 4.814 6.748 0.000 0.000 -0.000 3/35640 680.0 5.859 4.734 6.637 0.000 0.000 -0.000 3/35640 690.0 5.765 4.657 6.530 0.000 0.000 -0.000 3/35640 700.0 5.673 4.583 6.426 0.000 0.000 -0.000 3/35640 710.0 5.585 4.510 6.325 0.000 0.000 -0.000 3/35640 720.0 5.499 4.440 6.228 0.000 0.000 -0.000 3/35640 730.0 5.416 4.373 6.133 0.000 0.000 -0.000 3/35640 740.0 5.335 4.307 6.041 0.000 0.000 -0.000 3/35640 750.0 5.257 4.243 5.952 0.000 0.000 -0.000 3/35640 760.0 5.180 4.181 5.866 0.000 0.000 -0.000 3/35640 770.0 5.107 4.121 5.782 0.000 0.000 -0.000 3/35640 780.0 5.035 4.063 5.701 0.000 0.000 -0.000 3/35640 790.0 4.965 4.006 5.622 0.000 0.000 -0.000 3/35640 800.0 4.898 3.951 5.545 0.000 0.000 -0.000 3/35640 810.0 4.832 3.897 5.470 0.000 0.000 -0.000 3/35640 820.0 4.768 3.845 5.397 0.000 0.000 -0.000 3/35640 830.0 4.705 3.795 5.326 0.000 0.000 -0.000 3/35640 840.0 4.644 3.745 5.257 0.000 0.000 -0.000 3/35640 850.0 4.585 3.697 5.190 0.000 0.000 -0.000 3/35640 860.0 4.527 3.650 5.125 0.000 0.000 -0.000 3/35640 870.0 4.471 3.605 5.061 0.000 0.000 -0.000 3/35640 880.0 4.416 3.560 4.999 0.000 0.000 -0.000 3/35640 890.0 4.363 3.517 4.938 0.000 0.000 -0.000 3/35640 900.0 4.311 3.474 4.879 0.000 0.000 -0.000 3/35640 910.0 4.260 3.433 4.821 0.000 0.000 -0.000 3/35640 920.0 4.210 3.393 4.765 0.000 0.000 -0.000 3/35640 930.0 4.162 3.353 4.709 0.000 0.000 -0.000 3/35640 940.0 4.114 3.315 4.656 0.000 0.000 -0.000 3/35640 950.0 4.068 3.277 4.603 0.000 0.000 -0.000 3/35640 960.0 4.023 3.241 4.552 0.000 0.000 -0.000 3/35640 970.0 3.978 3.205 4.502 0.000 0.000 -0.000 3/35640 980.0 3.935 3.170 4.453 0.000 0.000 -0.000 3/35640 990.0 3.893 3.136 4.405 0.000 0.000 -0.000 3/35640 1000.0 3.852 3.102 4.358 0.000 0.000 -0.000 3/35640Thermal conductivity related properties were written into "kappa-m11910.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 05:36:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|