# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/953e721d-011c-4148-acdf-ab8b2c66b973/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 ZnF2 / Pbcn (60) / materials id 7709](https://mdr.nims.go.jp/datasets/2fe5ad36-24e6-48ca-a94b-9253467a965c) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:31:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [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 4.683562860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.682366710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.161785390000000Atomic positions (fractional): *1 F 0.73123174423940 0.11209920163579 0.08033762384217 18.998 2 F 0.23123174423941 0.38790079836421 0.91966237615783 18.998 3 F 0.76876825576060 0.38790079836421 0.58033762384217 18.998 4 F 0.26876825576059 0.11209920163579 0.41966237615783 18.998 5 F 0.73123174423940 0.88790079836421 0.58033762384217 18.998 6 F 0.23123174423941 0.61209920163579 0.41966237615783 18.998 7 F 0.76876825576060 0.61209920163579 0.08033762384217 18.998 8 F 0.26876825576059 0.88790079836421 0.91966237615783 18.998 *9 Zn 0.50000000000000 0.16147364133578 0.75000000000000 65.380 10 Zn 0.00000000000000 0.33852635866422 0.25000000000000 65.380 11 Zn 0.50000000000000 0.83852635866422 0.25000000000000 65.380 12 Zn 0.00000000000000 0.66147364133578 0.75000000000000 65.380-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.683562860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.682366710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.161785390000000Atomic positions (fractional): *1 F 0.73123174423940 0.11209920163579 0.08033762384217 18.998 > 1 2 F 0.23123174423941 0.38790079836421 0.91966237615783 18.998 > 2 3 F 0.76876825576060 0.38790079836421 0.58033762384217 18.998 > 3 4 F 0.26876825576059 0.11209920163579 0.41966237615783 18.998 > 4 5 F 0.73123174423940 0.88790079836421 0.58033762384217 18.998 > 5 6 F 0.23123174423941 0.61209920163579 0.41966237615783 18.998 > 6 7 F 0.76876825576060 0.61209920163579 0.08033762384217 18.998 > 7 8 F 0.26876825576059 0.88790079836421 0.91966237615783 18.998 > 8 *9 Zn 0.50000000000000 0.16147364133578 0.75000000000000 65.380 > 9 10 Zn 0.00000000000000 0.33852635866422 0.25000000000000 65.380 > 10 11 Zn 0.50000000000000 0.83852635866422 0.25000000000000 65.380 > 11 12 Zn 0.00000000000000 0.66147364133578 0.75000000000000 65.380 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 14.050688580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.364733420000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.323570780000001Atomic positions (fractional): *1 F 0.24374391474647 0.05604960081789 0.04016881192108 18.998 > 1 2 F 0.57707724807980 0.05604960081789 0.04016881192108 18.998 > 1 3 F 0.91041058141313 0.05604960081789 0.04016881192108 18.998 > 1 4 F 0.24374391474647 0.55604960081789 0.04016881192108 18.998 > 1 5 F 0.57707724807980 0.55604960081789 0.04016881192108 18.998 > 1 6 F 0.91041058141313 0.55604960081789 0.04016881192108 18.998 > 1 7 F 0.24374391474647 0.05604960081789 0.54016881192108 18.998 > 1 8 F 0.57707724807980 0.05604960081789 0.54016881192108 18.998 > 1 9 F 0.91041058141313 0.05604960081789 0.54016881192108 18.998 > 1 10 F 0.24374391474647 0.55604960081789 0.54016881192108 18.998 > 1 11 F 0.57707724807980 0.55604960081789 0.54016881192108 18.998 > 1 12 F 0.91041058141313 0.55604960081789 0.54016881192108 18.998 > 1 13 F 0.07707724807980 0.19395039918211 0.45983118807892 18.998 > 2 14 F 0.41041058141313 0.19395039918211 0.45983118807892 18.998 > 2 15 F 0.74374391474647 0.19395039918211 0.45983118807892 18.998 > 2 16 F 0.07707724807980 0.69395039918211 0.45983118807892 18.998 > 2 17 F 0.41041058141313 0.69395039918211 0.45983118807892 18.998 > 2 18 F 0.74374391474647 0.69395039918211 0.45983118807892 18.998 > 2 19 F 0.07707724807980 0.19395039918211 0.95983118807892 18.998 > 2 20 F 0.41041058141313 0.19395039918211 0.95983118807892 18.998 > 2 21 F 0.74374391474647 0.19395039918211 0.95983118807892 18.998 > 2 22 F 0.07707724807980 0.69395039918211 0.95983118807892 18.998 > 2 23 F 0.41041058141313 0.69395039918211 0.95983118807892 18.998 > 2 24 F 0.74374391474647 0.69395039918211 0.95983118807892 18.998 > 2 25 F 0.25625608525353 0.19395039918211 0.29016881192108 18.998 > 3 26 F 0.58958941858686 0.19395039918211 0.29016881192108 18.998 > 3 27 F 0.92292275192020 0.19395039918211 0.29016881192108 18.998 > 3 28 F 0.25625608525353 0.69395039918211 0.29016881192108 18.998 > 3 29 F 0.58958941858686 0.69395039918211 0.29016881192108 18.998 > 3 30 F 0.92292275192020 0.69395039918211 0.29016881192108 18.998 > 3 31 F 0.25625608525353 0.19395039918211 0.79016881192108 18.998 > 3 32 F 0.58958941858686 0.19395039918211 0.79016881192108 18.998 > 3 33 F 0.92292275192020 0.19395039918211 0.79016881192108 18.998 > 3 34 F 0.25625608525353 0.69395039918211 0.79016881192108 18.998 > 3 35 F 0.58958941858686 0.69395039918211 0.79016881192108 18.998 > 3 36 F 0.92292275192020 0.69395039918211 0.79016881192108 18.998 > 3 37 F 0.08958941858686 0.05604960081789 0.20983118807892 18.998 > 4 38 F 0.42292275192020 0.05604960081789 0.20983118807892 18.998 > 4 39 F 0.75625608525353 0.05604960081789 0.20983118807892 18.998 > 4 40 F 0.08958941858686 0.55604960081789 0.20983118807892 18.998 > 4 41 F 0.42292275192020 0.55604960081789 0.20983118807892 18.998 > 4 42 F 0.75625608525353 0.55604960081789 0.20983118807892 18.998 > 4 43 F 0.08958941858686 0.05604960081789 0.70983118807892 18.998 > 4 44 F 0.42292275192020 0.05604960081789 0.70983118807892 18.998 > 4 45 F 0.75625608525353 0.05604960081789 0.70983118807892 18.998 > 4 46 F 0.08958941858686 0.55604960081789 0.70983118807892 18.998 > 4 47 F 0.42292275192020 0.55604960081789 0.70983118807892 18.998 > 4 48 F 0.75625608525353 0.55604960081789 0.70983118807892 18.998 > 4 49 F 0.24374391474647 0.44395039918211 0.29016881192108 18.998 > 5 50 F 0.57707724807980 0.44395039918211 0.29016881192108 18.998 > 5 51 F 0.91041058141313 0.44395039918211 0.29016881192108 18.998 > 5 52 F 0.24374391474647 0.94395039918211 0.29016881192108 18.998 > 5 53 F 0.57707724807980 0.94395039918211 0.29016881192108 18.998 > 5 54 F 0.91041058141313 0.94395039918211 0.29016881192108 18.998 > 5 55 F 0.24374391474647 0.44395039918211 0.79016881192108 18.998 > 5 56 F 0.57707724807980 0.44395039918211 0.79016881192108 18.998 > 5 57 F 0.91041058141313 0.44395039918211 0.79016881192108 18.998 > 5 58 F 0.24374391474647 0.94395039918211 0.79016881192108 18.998 > 5 59 F 0.57707724807980 0.94395039918211 0.79016881192108 18.998 > 5 60 F 0.91041058141313 0.94395039918211 0.79016881192108 18.998 > 5 61 F 0.07707724807980 0.30604960081789 0.20983118807892 18.998 > 6 62 F 0.41041058141313 0.30604960081789 0.20983118807892 18.998 > 6 63 F 0.74374391474647 0.30604960081789 0.20983118807892 18.998 > 6 64 F 0.07707724807980 0.80604960081789 0.20983118807892 18.998 > 6 65 F 0.41041058141313 0.80604960081789 0.20983118807892 18.998 > 6 66 F 0.74374391474647 0.80604960081789 0.20983118807892 18.998 > 6 67 F 0.07707724807980 0.30604960081789 0.70983118807892 18.998 > 6 68 F 0.41041058141313 0.30604960081789 0.70983118807892 18.998 > 6 69 F 0.74374391474647 0.30604960081789 0.70983118807892 18.998 > 6 70 F 0.07707724807980 0.80604960081789 0.70983118807892 18.998 > 6 71 F 0.41041058141313 0.80604960081789 0.70983118807892 18.998 > 6 72 F 0.74374391474647 0.80604960081789 0.70983118807892 18.998 > 6 73 F 0.25625608525353 0.30604960081789 0.04016881192108 18.998 > 7 74 F 0.58958941858686 0.30604960081789 0.04016881192108 18.998 > 7 75 F 0.92292275192020 0.30604960081789 0.04016881192108 18.998 > 7 76 F 0.25625608525353 0.80604960081789 0.04016881192108 18.998 > 7 77 F 0.58958941858686 0.80604960081789 0.04016881192108 18.998 > 7 78 F 0.92292275192020 0.80604960081789 0.04016881192108 18.998 > 7 79 F 0.25625608525353 0.30604960081789 0.54016881192108 18.998 > 7 80 F 0.58958941858686 0.30604960081789 0.54016881192108 18.998 > 7 81 F 0.92292275192020 0.30604960081789 0.54016881192108 18.998 > 7 82 F 0.25625608525353 0.80604960081789 0.54016881192108 18.998 > 7 83 F 0.58958941858686 0.80604960081789 0.54016881192108 18.998 > 7 84 F 0.92292275192020 0.80604960081789 0.54016881192108 18.998 > 7 85 F 0.08958941858686 0.44395039918211 0.45983118807892 18.998 > 8 86 F 0.42292275192020 0.44395039918211 0.45983118807892 18.998 > 8 87 F 0.75625608525353 0.44395039918211 0.45983118807892 18.998 > 8 88 F 0.08958941858686 0.94395039918211 0.45983118807892 18.998 > 8 89 F 0.42292275192020 0.94395039918211 0.45983118807892 18.998 > 8 90 F 0.75625608525353 0.94395039918211 0.45983118807892 18.998 > 8 91 F 0.08958941858686 0.44395039918211 0.95983118807892 18.998 > 8 92 F 0.42292275192020 0.44395039918211 0.95983118807892 18.998 > 8 93 F 0.75625608525353 0.44395039918211 0.95983118807892 18.998 > 8 94 F 0.08958941858686 0.94395039918211 0.95983118807892 18.998 > 8 95 F 0.42292275192020 0.94395039918211 0.95983118807892 18.998 > 8 96 F 0.75625608525353 0.94395039918211 0.95983118807892 18.998 > 8 *97 Zn 0.16666666666667 0.08073682066789 0.37500000000000 65.380 > 9 98 Zn 0.50000000000000 0.08073682066789 0.37500000000000 65.380 > 9 99 Zn 0.83333333333333 0.08073682066789 0.37500000000000 65.380 > 9 100 Zn 0.16666666666667 0.58073682066789 0.37500000000000 65.380 > 9 101 Zn 0.50000000000000 0.58073682066789 0.37500000000000 65.380 > 9 102 Zn 0.83333333333333 0.58073682066789 0.37500000000000 65.380 > 9 103 Zn 0.16666666666667 0.08073682066789 0.87500000000000 65.380 > 9 104 Zn 0.50000000000000 0.08073682066789 0.87500000000000 65.380 > 9 105 Zn 0.83333333333333 0.08073682066789 0.87500000000000 65.380 > 9 106 Zn 0.16666666666667 0.58073682066789 0.87500000000000 65.380 > 9 107 Zn 0.50000000000000 0.58073682066789 0.87500000000000 65.380 > 9 108 Zn 0.83333333333333 0.58073682066789 0.87500000000000 65.380 > 9 109 Zn 0.00000000000000 0.16926317933211 0.12500000000000 65.380 > 10 110 Zn 0.33333333333333 0.16926317933211 0.12500000000000 65.380 > 10 111 Zn 0.66666666666667 0.16926317933211 0.12500000000000 65.380 > 10 112 Zn 0.00000000000000 0.66926317933211 0.12500000000000 65.380 > 10 113 Zn 0.33333333333333 0.66926317933211 0.12500000000000 65.380 > 10 114 Zn 0.66666666666667 0.66926317933211 0.12500000000000 65.380 > 10 115 Zn 0.00000000000000 0.16926317933211 0.62500000000000 65.380 > 10 116 Zn 0.33333333333333 0.16926317933211 0.62500000000000 65.380 > 10 117 Zn 0.66666666666667 0.16926317933211 0.62500000000000 65.380 > 10 118 Zn 0.00000000000000 0.66926317933211 0.62500000000000 65.380 > 10 119 Zn 0.33333333333333 0.66926317933211 0.62500000000000 65.380 > 10 120 Zn 0.66666666666667 0.66926317933211 0.62500000000000 65.380 > 10 121 Zn 0.16666666666667 0.41926317933211 0.12500000000000 65.380 > 11 122 Zn 0.50000000000000 0.41926317933211 0.12500000000000 65.380 > 11 123 Zn 0.83333333333333 0.41926317933211 0.12500000000000 65.380 > 11 124 Zn 0.16666666666667 0.91926317933211 0.12500000000000 65.380 > 11 125 Zn 0.50000000000000 0.91926317933211 0.12500000000000 65.380 > 11 126 Zn 0.83333333333333 0.91926317933211 0.12500000000000 65.380 > 11 127 Zn 0.16666666666667 0.41926317933211 0.62500000000000 65.380 > 11 128 Zn 0.50000000000000 0.41926317933211 0.62500000000000 65.380 > 11 129 Zn 0.83333333333333 0.41926317933211 0.62500000000000 65.380 > 11 130 Zn 0.16666666666667 0.91926317933211 0.62500000000000 65.380 > 11 131 Zn 0.50000000000000 0.91926317933211 0.62500000000000 65.380 > 11 132 Zn 0.83333333333333 0.91926317933211 0.62500000000000 65.380 > 11 133 Zn 0.00000000000000 0.33073682066789 0.37500000000000 65.380 > 12 134 Zn 0.33333333333333 0.33073682066789 0.37500000000000 65.380 > 12 135 Zn 0.66666666666667 0.33073682066789 0.37500000000000 65.380 > 12 136 Zn 0.00000000000000 0.83073682066789 0.37500000000000 65.380 > 12 137 Zn 0.33333333333333 0.83073682066789 0.37500000000000 65.380 > 12 138 Zn 0.66666666666667 0.83073682066789 0.37500000000000 65.380 > 12 139 Zn 0.00000000000000 0.33073682066789 0.87500000000000 65.380 > 12 140 Zn 0.33333333333333 0.33073682066789 0.87500000000000 65.380 > 12 141 Zn 0.66666666666667 0.33073682066789 0.87500000000000 65.380 > 12 142 Zn 0.00000000000000 0.83073682066789 0.87500000000000 65.380 > 12 143 Zn 0.33333333333333 0.83073682066789 0.87500000000000 65.380 > 12 144 Zn 0.66666666666667 0.83073682066789 0.87500000000000 65.380 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5747021 0.0000000 0.0000000 0.0000000 2.5977204 0.0000000 0.0000000 0.0000000 2.6345028-------------------------- Born effective charges -------------------------- 1 F -1.1209853 -0.3161448 -0.2491706 -0.3387424 -1.1426143 0.0076554 -0.2255369 0.0418913 -1.1730126 2 F -1.1209853 0.3161448 0.2491706 0.3387424 -1.1426143 0.0076554 0.2255369 0.0418913 -1.1730126 3 F -1.1209853 -0.3161448 0.2491706 -0.3387424 -1.1426143 -0.0076554 0.2255369 -0.0418913 -1.1730126 4 F -1.1209853 0.3161448 -0.2491706 0.3387424 -1.1426143 -0.0076554 -0.2255369 -0.0418913 -1.1730126 5 F -1.1209853 0.3161448 -0.2491706 0.3387424 -1.1426143 -0.0076554 -0.2255369 -0.0418913 -1.1730126 6 F -1.1209853 -0.3161448 0.2491706 -0.3387424 -1.1426143 -0.0076554 0.2255369 -0.0418913 -1.1730126 7 F -1.1209853 0.3161448 0.2491706 0.3387424 -1.1426143 0.0076554 0.2255369 0.0418913 -1.1730126 8 F -1.1209853 -0.3161448 -0.2491706 -0.3387424 -1.1426143 0.0076554 -0.2255369 0.0418913 -1.1730126 9 Zn 2.2419707 0.0000000 -0.0797656 0.0000000 2.2852286 0.0000000 -0.0395099 0.0000000 2.3460252 10 Zn 2.2419707 0.0000000 0.0797656 0.0000000 2.2852286 0.0000000 0.0395099 0.0000000 2.3460252 11 Zn 2.2419707 0.0000000 -0.0797656 0.0000000 2.2852286 0.0000000 -0.0395099 0.0000000 2.3460252 12 Zn 2.2419707 0.0000000 0.0797656 0.0000000 2.2852286 0.0000000 0.0395099 0.0000000 2.3460252----------------------------------------------------------------------------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): 0.009Solver_block: 100 / 240 - Time: 1.620Solver_block: 200 / 240 - Time: 1.576Solver_block: 240 / 240 - Time: 0.742Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.054--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432Permutation basis: 8352/8352Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 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 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 22:31:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:31:25]-------------------------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 4.683562860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.682366710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.161785390000000Atomic positions (fractional): 1 F 0.73123174423940 0.11209920163579 0.08033762384217 18.998 2 F 0.23123174423941 0.38790079836421 0.91966237615783 18.998 3 F 0.76876825576060 0.38790079836421 0.58033762384217 18.998 4 F 0.26876825576059 0.11209920163579 0.41966237615783 18.998 5 F 0.73123174423940 0.88790079836421 0.58033762384217 18.998 6 F 0.23123174423941 0.61209920163579 0.41966237615783 18.998 7 F 0.76876825576060 0.61209920163579 0.08033762384217 18.998 8 F 0.26876825576059 0.88790079836421 0.91966237615783 18.998 9 Zn 0.50000000000000 0.16147364133578 0.75000000000000 65.380 10 Zn 0.00000000000000 0.33852635866422 0.25000000000000 65.380 11 Zn 0.50000000000000 0.83852635866422 0.25000000000000 65.380 12 Zn 0.00000000000000 0.66147364133578 0.75000000000000 65.380-------------------------------- supercell ---------------------------------Lattice vectors: a 14.050688580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.364733420000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.323570780000001Atomic positions (fractional): 1 F 0.24374391474647 0.05604960081789 0.04016881192108 18.998 > 1 2 F 0.57707724807980 0.05604960081789 0.04016881192108 18.998 > 1 3 F 0.91041058141313 0.05604960081789 0.04016881192108 18.998 > 1 4 F 0.24374391474647 0.55604960081789 0.04016881192108 18.998 > 1 5 F 0.57707724807980 0.55604960081789 0.04016881192108 18.998 > 1 6 F 0.91041058141313 0.55604960081789 0.04016881192108 18.998 > 1 7 F 0.24374391474647 0.05604960081789 0.54016881192108 18.998 > 1 8 F 0.57707724807980 0.05604960081789 0.54016881192108 18.998 > 1 9 F 0.91041058141313 0.05604960081789 0.54016881192108 18.998 > 1 10 F 0.24374391474647 0.55604960081789 0.54016881192108 18.998 > 1 11 F 0.57707724807980 0.55604960081789 0.54016881192108 18.998 > 1 12 F 0.91041058141313 0.55604960081789 0.54016881192108 18.998 > 1 13 F 0.07707724807980 0.19395039918211 0.45983118807892 18.998 > 13 14 F 0.41041058141313 0.19395039918211 0.45983118807892 18.998 > 13 15 F 0.74374391474647 0.19395039918211 0.45983118807892 18.998 > 13 16 F 0.07707724807980 0.69395039918211 0.45983118807892 18.998 > 13 17 F 0.41041058141313 0.69395039918211 0.45983118807892 18.998 > 13 18 F 0.74374391474647 0.69395039918211 0.45983118807892 18.998 > 13 19 F 0.07707724807980 0.19395039918211 0.95983118807892 18.998 > 13 20 F 0.41041058141313 0.19395039918211 0.95983118807892 18.998 > 13 21 F 0.74374391474647 0.19395039918211 0.95983118807892 18.998 > 13 22 F 0.07707724807980 0.69395039918211 0.95983118807892 18.998 > 13 23 F 0.41041058141313 0.69395039918211 0.95983118807892 18.998 > 13 24 F 0.74374391474647 0.69395039918211 0.95983118807892 18.998 > 13 25 F 0.25625608525353 0.19395039918211 0.29016881192108 18.998 > 25 26 F 0.58958941858686 0.19395039918211 0.29016881192108 18.998 > 25 27 F 0.92292275192020 0.19395039918211 0.29016881192108 18.998 > 25 28 F 0.25625608525353 0.69395039918211 0.29016881192108 18.998 > 25 29 F 0.58958941858686 0.69395039918211 0.29016881192108 18.998 > 25 30 F 0.92292275192020 0.69395039918211 0.29016881192108 18.998 > 25 31 F 0.25625608525353 0.19395039918211 0.79016881192108 18.998 > 25 32 F 0.58958941858686 0.19395039918211 0.79016881192108 18.998 > 25 33 F 0.92292275192020 0.19395039918211 0.79016881192108 18.998 > 25 34 F 0.25625608525353 0.69395039918211 0.79016881192108 18.998 > 25 35 F 0.58958941858686 0.69395039918211 0.79016881192108 18.998 > 25 36 F 0.92292275192020 0.69395039918211 0.79016881192108 18.998 > 25 37 F 0.08958941858686 0.05604960081789 0.20983118807892 18.998 > 37 38 F 0.42292275192020 0.05604960081789 0.20983118807892 18.998 > 37 39 F 0.75625608525353 0.05604960081789 0.20983118807892 18.998 > 37 40 F 0.08958941858686 0.55604960081789 0.20983118807892 18.998 > 37 41 F 0.42292275192020 0.55604960081789 0.20983118807892 18.998 > 37 42 F 0.75625608525353 0.55604960081789 0.20983118807892 18.998 > 37 43 F 0.08958941858686 0.05604960081789 0.70983118807892 18.998 > 37 44 F 0.42292275192020 0.05604960081789 0.70983118807892 18.998 > 37 45 F 0.75625608525353 0.05604960081789 0.70983118807892 18.998 > 37 46 F 0.08958941858686 0.55604960081789 0.70983118807892 18.998 > 37 47 F 0.42292275192020 0.55604960081789 0.70983118807892 18.998 > 37 48 F 0.75625608525353 0.55604960081789 0.70983118807892 18.998 > 37 49 F 0.24374391474647 0.44395039918211 0.29016881192108 18.998 > 49 50 F 0.57707724807980 0.44395039918211 0.29016881192108 18.998 > 49 51 F 0.91041058141313 0.44395039918211 0.29016881192108 18.998 > 49 52 F 0.24374391474647 0.94395039918211 0.29016881192108 18.998 > 49 53 F 0.57707724807980 0.94395039918211 0.29016881192108 18.998 > 49 54 F 0.91041058141313 0.94395039918211 0.29016881192108 18.998 > 49 55 F 0.24374391474647 0.44395039918211 0.79016881192108 18.998 > 49 56 F 0.57707724807980 0.44395039918211 0.79016881192108 18.998 > 49 57 F 0.91041058141313 0.44395039918211 0.79016881192108 18.998 > 49 58 F 0.24374391474647 0.94395039918211 0.79016881192108 18.998 > 49 59 F 0.57707724807980 0.94395039918211 0.79016881192108 18.998 > 49 60 F 0.91041058141313 0.94395039918211 0.79016881192108 18.998 > 49 61 F 0.07707724807980 0.30604960081789 0.20983118807892 18.998 > 61 62 F 0.41041058141313 0.30604960081789 0.20983118807892 18.998 > 61 63 F 0.74374391474647 0.30604960081789 0.20983118807892 18.998 > 61 64 F 0.07707724807980 0.80604960081789 0.20983118807892 18.998 > 61 65 F 0.41041058141313 0.80604960081789 0.20983118807892 18.998 > 61 66 F 0.74374391474647 0.80604960081789 0.20983118807892 18.998 > 61 67 F 0.07707724807980 0.30604960081789 0.70983118807892 18.998 > 61 68 F 0.41041058141313 0.30604960081789 0.70983118807892 18.998 > 61 69 F 0.74374391474647 0.30604960081789 0.70983118807892 18.998 > 61 70 F 0.07707724807980 0.80604960081789 0.70983118807892 18.998 > 61 71 F 0.41041058141313 0.80604960081789 0.70983118807892 18.998 > 61 72 F 0.74374391474647 0.80604960081789 0.70983118807892 18.998 > 61 73 F 0.25625608525353 0.30604960081789 0.04016881192108 18.998 > 73 74 F 0.58958941858686 0.30604960081789 0.04016881192108 18.998 > 73 75 F 0.92292275192020 0.30604960081789 0.04016881192108 18.998 > 73 76 F 0.25625608525353 0.80604960081789 0.04016881192108 18.998 > 73 77 F 0.58958941858686 0.80604960081789 0.04016881192108 18.998 > 73 78 F 0.92292275192020 0.80604960081789 0.04016881192108 18.998 > 73 79 F 0.25625608525353 0.30604960081789 0.54016881192108 18.998 > 73 80 F 0.58958941858686 0.30604960081789 0.54016881192108 18.998 > 73 81 F 0.92292275192020 0.30604960081789 0.54016881192108 18.998 > 73 82 F 0.25625608525353 0.80604960081789 0.54016881192108 18.998 > 73 83 F 0.58958941858686 0.80604960081789 0.54016881192108 18.998 > 73 84 F 0.92292275192020 0.80604960081789 0.54016881192108 18.998 > 73 85 F 0.08958941858686 0.44395039918211 0.45983118807892 18.998 > 85 86 F 0.42292275192020 0.44395039918211 0.45983118807892 18.998 > 85 87 F 0.75625608525353 0.44395039918211 0.45983118807892 18.998 > 85 88 F 0.08958941858686 0.94395039918211 0.45983118807892 18.998 > 85 89 F 0.42292275192020 0.94395039918211 0.45983118807892 18.998 > 85 90 F 0.75625608525353 0.94395039918211 0.45983118807892 18.998 > 85 91 F 0.08958941858686 0.44395039918211 0.95983118807892 18.998 > 85 92 F 0.42292275192020 0.44395039918211 0.95983118807892 18.998 > 85 93 F 0.75625608525353 0.44395039918211 0.95983118807892 18.998 > 85 94 F 0.08958941858686 0.94395039918211 0.95983118807892 18.998 > 85 95 F 0.42292275192020 0.94395039918211 0.95983118807892 18.998 > 85 96 F 0.75625608525353 0.94395039918211 0.95983118807892 18.998 > 85 97 Zn 0.16666666666667 0.08073682066789 0.37500000000000 65.380 > 97 98 Zn 0.50000000000000 0.08073682066789 0.37500000000000 65.380 > 97 99 Zn 0.83333333333333 0.08073682066789 0.37500000000000 65.380 > 97 100 Zn 0.16666666666667 0.58073682066789 0.37500000000000 65.380 > 97 101 Zn 0.50000000000000 0.58073682066789 0.37500000000000 65.380 > 97 102 Zn 0.83333333333333 0.58073682066789 0.37500000000000 65.380 > 97 103 Zn 0.16666666666667 0.08073682066789 0.87500000000000 65.380 > 97 104 Zn 0.50000000000000 0.08073682066789 0.87500000000000 65.380 > 97 105 Zn 0.83333333333333 0.08073682066789 0.87500000000000 65.380 > 97 106 Zn 0.16666666666667 0.58073682066789 0.87500000000000 65.380 > 97 107 Zn 0.50000000000000 0.58073682066789 0.87500000000000 65.380 > 97 108 Zn 0.83333333333333 0.58073682066789 0.87500000000000 65.380 > 97 109 Zn 0.00000000000000 0.16926317933211 0.12500000000000 65.380 > 109 110 Zn 0.33333333333333 0.16926317933211 0.12500000000000 65.380 > 109 111 Zn 0.66666666666667 0.16926317933211 0.12500000000000 65.380 > 109 112 Zn 0.00000000000000 0.66926317933211 0.12500000000000 65.380 > 109 113 Zn 0.33333333333333 0.66926317933211 0.12500000000000 65.380 > 109 114 Zn 0.66666666666667 0.66926317933211 0.12500000000000 65.380 > 109 115 Zn 0.00000000000000 0.16926317933211 0.62500000000000 65.380 > 109 116 Zn 0.33333333333333 0.16926317933211 0.62500000000000 65.380 > 109 117 Zn 0.66666666666667 0.16926317933211 0.62500000000000 65.380 > 109 118 Zn 0.00000000000000 0.66926317933211 0.62500000000000 65.380 > 109 119 Zn 0.33333333333333 0.66926317933211 0.62500000000000 65.380 > 109 120 Zn 0.66666666666667 0.66926317933211 0.62500000000000 65.380 > 109 121 Zn 0.16666666666667 0.41926317933211 0.12500000000000 65.380 > 121 122 Zn 0.50000000000000 0.41926317933211 0.12500000000000 65.380 > 121 123 Zn 0.83333333333333 0.41926317933211 0.12500000000000 65.380 > 121 124 Zn 0.16666666666667 0.91926317933211 0.12500000000000 65.380 > 121 125 Zn 0.50000000000000 0.91926317933211 0.12500000000000 65.380 > 121 126 Zn 0.83333333333333 0.91926317933211 0.12500000000000 65.380 > 121 127 Zn 0.16666666666667 0.41926317933211 0.62500000000000 65.380 > 121 128 Zn 0.50000000000000 0.41926317933211 0.62500000000000 65.380 > 121 129 Zn 0.83333333333333 0.41926317933211 0.62500000000000 65.380 > 121 130 Zn 0.16666666666667 0.91926317933211 0.62500000000000 65.380 > 121 131 Zn 0.50000000000000 0.91926317933211 0.62500000000000 65.380 > 121 132 Zn 0.83333333333333 0.91926317933211 0.62500000000000 65.380 > 121 133 Zn 0.00000000000000 0.33073682066789 0.37500000000000 65.380 > 133 134 Zn 0.33333333333333 0.33073682066789 0.37500000000000 65.380 > 133 135 Zn 0.66666666666667 0.33073682066789 0.37500000000000 65.380 > 133 136 Zn 0.00000000000000 0.83073682066789 0.37500000000000 65.380 > 133 137 Zn 0.33333333333333 0.83073682066789 0.37500000000000 65.380 > 133 138 Zn 0.66666666666667 0.83073682066789 0.37500000000000 65.380 > 133 139 Zn 0.00000000000000 0.33073682066789 0.87500000000000 65.380 > 133 140 Zn 0.33333333333333 0.33073682066789 0.87500000000000 65.380 > 133 141 Zn 0.66666666666667 0.33073682066789 0.87500000000000 65.380 > 133 142 Zn 0.00000000000000 0.83073682066789 0.87500000000000 65.380 > 133 143 Zn 0.33333333333333 0.83073682066789 0.87500000000000 65.380 > 133 144 Zn 0.66666666666667 0.83073682066789 0.87500000000000 65.380 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5747021 0.0000000 0.0000000 0.0000000 2.5977204 0.0000000 0.0000000 0.0000000 2.6345028-------------------------- Born effective charges -------------------------- 1 F -1.1209853 -0.3161448 -0.2491706 -0.3387424 -1.1426143 0.0076554 -0.2255369 0.0418913 -1.1730126 2 F -1.1209853 0.3161448 0.2491706 0.3387424 -1.1426143 0.0076554 0.2255369 0.0418913 -1.1730126 3 F -1.1209853 -0.3161448 0.2491706 -0.3387424 -1.1426143 -0.0076554 0.2255369 -0.0418913 -1.1730126 4 F -1.1209853 0.3161448 -0.2491706 0.3387424 -1.1426143 -0.0076554 -0.2255369 -0.0418913 -1.1730126 5 F -1.1209853 0.3161448 -0.2491706 0.3387424 -1.1426143 -0.0076554 -0.2255369 -0.0418913 -1.1730126 6 F -1.1209853 -0.3161448 0.2491706 -0.3387424 -1.1426143 -0.0076554 0.2255369 -0.0418913 -1.1730126 7 F -1.1209853 0.3161448 0.2491706 0.3387424 -1.1426143 0.0076554 0.2255369 0.0418913 -1.1730126 8 F -1.1209853 -0.3161448 -0.2491706 -0.3387424 -1.1426143 0.0076554 -0.2255369 0.0418913 -1.1730126 9 Zn 2.2419707 0.0000000 -0.0797656 0.0000000 2.2852286 0.0000000 -0.0395099 0.0000000 2.3460252 10 Zn 2.2419707 0.0000000 0.0797656 0.0000000 2.2852286 0.0000000 0.0395099 0.0000000 2.3460252 11 Zn 2.2419707 0.0000000 -0.0797656 0.0000000 2.2852286 0.0000000 -0.0395099 0.0000000 2.3460252 12 Zn 2.2419707 0.0000000 0.0797656 0.0000000 2.2852286 0.0000000 0.0395099 0.0000000 2.3460252----------------------------------------------------------------------------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: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 2026-01-07 22:31:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:31:40]-------------------------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 4.683562860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.682366710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.161785390000000Atomic positions (fractional): 1 F 0.73123174423940 0.11209920163579 0.08033762384217 18.998 2 F 0.23123174423941 0.38790079836421 0.91966237615783 18.998 3 F 0.76876825576060 0.38790079836421 0.58033762384217 18.998 4 F 0.26876825576059 0.11209920163579 0.41966237615783 18.998 5 F 0.73123174423940 0.88790079836421 0.58033762384217 18.998 6 F 0.23123174423941 0.61209920163579 0.41966237615783 18.998 7 F 0.76876825576060 0.61209920163579 0.08033762384217 18.998 8 F 0.26876825576059 0.88790079836421 0.91966237615783 18.998 9 Zn 0.50000000000000 0.16147364133578 0.75000000000000 65.380 10 Zn 0.00000000000000 0.33852635866422 0.25000000000000 65.380 11 Zn 0.50000000000000 0.83852635866422 0.25000000000000 65.380 12 Zn 0.00000000000000 0.66147364133578 0.75000000000000 65.380-------------------------------- supercell ---------------------------------Lattice vectors: a 14.050688580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.364733420000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.323570780000001Atomic positions (fractional): 1 F 0.24374391474647 0.05604960081789 0.04016881192108 18.998 > 1 2 F 0.57707724807980 0.05604960081789 0.04016881192108 18.998 > 1 3 F 0.91041058141313 0.05604960081789 0.04016881192108 18.998 > 1 4 F 0.24374391474647 0.55604960081789 0.04016881192108 18.998 > 1 5 F 0.57707724807980 0.55604960081789 0.04016881192108 18.998 > 1 6 F 0.91041058141313 0.55604960081789 0.04016881192108 18.998 > 1 7 F 0.24374391474647 0.05604960081789 0.54016881192108 18.998 > 1 8 F 0.57707724807980 0.05604960081789 0.54016881192108 18.998 > 1 9 F 0.91041058141313 0.05604960081789 0.54016881192108 18.998 > 1 10 F 0.24374391474647 0.55604960081789 0.54016881192108 18.998 > 1 11 F 0.57707724807980 0.55604960081789 0.54016881192108 18.998 > 1 12 F 0.91041058141313 0.55604960081789 0.54016881192108 18.998 > 1 13 F 0.07707724807980 0.19395039918211 0.45983118807892 18.998 > 13 14 F 0.41041058141313 0.19395039918211 0.45983118807892 18.998 > 13 15 F 0.74374391474647 0.19395039918211 0.45983118807892 18.998 > 13 16 F 0.07707724807980 0.69395039918211 0.45983118807892 18.998 > 13 17 F 0.41041058141313 0.69395039918211 0.45983118807892 18.998 > 13 18 F 0.74374391474647 0.69395039918211 0.45983118807892 18.998 > 13 19 F 0.07707724807980 0.19395039918211 0.95983118807892 18.998 > 13 20 F 0.41041058141313 0.19395039918211 0.95983118807892 18.998 > 13 21 F 0.74374391474647 0.19395039918211 0.95983118807892 18.998 > 13 22 F 0.07707724807980 0.69395039918211 0.95983118807892 18.998 > 13 23 F 0.41041058141313 0.69395039918211 0.95983118807892 18.998 > 13 24 F 0.74374391474647 0.69395039918211 0.95983118807892 18.998 > 13 25 F 0.25625608525353 0.19395039918211 0.29016881192108 18.998 > 25 26 F 0.58958941858686 0.19395039918211 0.29016881192108 18.998 > 25 27 F 0.92292275192020 0.19395039918211 0.29016881192108 18.998 > 25 28 F 0.25625608525353 0.69395039918211 0.29016881192108 18.998 > 25 29 F 0.58958941858686 0.69395039918211 0.29016881192108 18.998 > 25 30 F 0.92292275192020 0.69395039918211 0.29016881192108 18.998 > 25 31 F 0.25625608525353 0.19395039918211 0.79016881192108 18.998 > 25 32 F 0.58958941858686 0.19395039918211 0.79016881192108 18.998 > 25 33 F 0.92292275192020 0.19395039918211 0.79016881192108 18.998 > 25 34 F 0.25625608525353 0.69395039918211 0.79016881192108 18.998 > 25 35 F 0.58958941858686 0.69395039918211 0.79016881192108 18.998 > 25 36 F 0.92292275192020 0.69395039918211 0.79016881192108 18.998 > 25 37 F 0.08958941858686 0.05604960081789 0.20983118807892 18.998 > 37 38 F 0.42292275192020 0.05604960081789 0.20983118807892 18.998 > 37 39 F 0.75625608525353 0.05604960081789 0.20983118807892 18.998 > 37 40 F 0.08958941858686 0.55604960081789 0.20983118807892 18.998 > 37 41 F 0.42292275192020 0.55604960081789 0.20983118807892 18.998 > 37 42 F 0.75625608525353 0.55604960081789 0.20983118807892 18.998 > 37 43 F 0.08958941858686 0.05604960081789 0.70983118807892 18.998 > 37 44 F 0.42292275192020 0.05604960081789 0.70983118807892 18.998 > 37 45 F 0.75625608525353 0.05604960081789 0.70983118807892 18.998 > 37 46 F 0.08958941858686 0.55604960081789 0.70983118807892 18.998 > 37 47 F 0.42292275192020 0.55604960081789 0.70983118807892 18.998 > 37 48 F 0.75625608525353 0.55604960081789 0.70983118807892 18.998 > 37 49 F 0.24374391474647 0.44395039918211 0.29016881192108 18.998 > 49 50 F 0.57707724807980 0.44395039918211 0.29016881192108 18.998 > 49 51 F 0.91041058141313 0.44395039918211 0.29016881192108 18.998 > 49 52 F 0.24374391474647 0.94395039918211 0.29016881192108 18.998 > 49 53 F 0.57707724807980 0.94395039918211 0.29016881192108 18.998 > 49 54 F 0.91041058141313 0.94395039918211 0.29016881192108 18.998 > 49 55 F 0.24374391474647 0.44395039918211 0.79016881192108 18.998 > 49 56 F 0.57707724807980 0.44395039918211 0.79016881192108 18.998 > 49 57 F 0.91041058141313 0.44395039918211 0.79016881192108 18.998 > 49 58 F 0.24374391474647 0.94395039918211 0.79016881192108 18.998 > 49 59 F 0.57707724807980 0.94395039918211 0.79016881192108 18.998 > 49 60 F 0.91041058141313 0.94395039918211 0.79016881192108 18.998 > 49 61 F 0.07707724807980 0.30604960081789 0.20983118807892 18.998 > 61 62 F 0.41041058141313 0.30604960081789 0.20983118807892 18.998 > 61 63 F 0.74374391474647 0.30604960081789 0.20983118807892 18.998 > 61 64 F 0.07707724807980 0.80604960081789 0.20983118807892 18.998 > 61 65 F 0.41041058141313 0.80604960081789 0.20983118807892 18.998 > 61 66 F 0.74374391474647 0.80604960081789 0.20983118807892 18.998 > 61 67 F 0.07707724807980 0.30604960081789 0.70983118807892 18.998 > 61 68 F 0.41041058141313 0.30604960081789 0.70983118807892 18.998 > 61 69 F 0.74374391474647 0.30604960081789 0.70983118807892 18.998 > 61 70 F 0.07707724807980 0.80604960081789 0.70983118807892 18.998 > 61 71 F 0.41041058141313 0.80604960081789 0.70983118807892 18.998 > 61 72 F 0.74374391474647 0.80604960081789 0.70983118807892 18.998 > 61 73 F 0.25625608525353 0.30604960081789 0.04016881192108 18.998 > 73 74 F 0.58958941858686 0.30604960081789 0.04016881192108 18.998 > 73 75 F 0.92292275192020 0.30604960081789 0.04016881192108 18.998 > 73 76 F 0.25625608525353 0.80604960081789 0.04016881192108 18.998 > 73 77 F 0.58958941858686 0.80604960081789 0.04016881192108 18.998 > 73 78 F 0.92292275192020 0.80604960081789 0.04016881192108 18.998 > 73 79 F 0.25625608525353 0.30604960081789 0.54016881192108 18.998 > 73 80 F 0.58958941858686 0.30604960081789 0.54016881192108 18.998 > 73 81 F 0.92292275192020 0.30604960081789 0.54016881192108 18.998 > 73 82 F 0.25625608525353 0.80604960081789 0.54016881192108 18.998 > 73 83 F 0.58958941858686 0.80604960081789 0.54016881192108 18.998 > 73 84 F 0.92292275192020 0.80604960081789 0.54016881192108 18.998 > 73 85 F 0.08958941858686 0.44395039918211 0.45983118807892 18.998 > 85 86 F 0.42292275192020 0.44395039918211 0.45983118807892 18.998 > 85 87 F 0.75625608525353 0.44395039918211 0.45983118807892 18.998 > 85 88 F 0.08958941858686 0.94395039918211 0.45983118807892 18.998 > 85 89 F 0.42292275192020 0.94395039918211 0.45983118807892 18.998 > 85 90 F 0.75625608525353 0.94395039918211 0.45983118807892 18.998 > 85 91 F 0.08958941858686 0.44395039918211 0.95983118807892 18.998 > 85 92 F 0.42292275192020 0.44395039918211 0.95983118807892 18.998 > 85 93 F 0.75625608525353 0.44395039918211 0.95983118807892 18.998 > 85 94 F 0.08958941858686 0.94395039918211 0.95983118807892 18.998 > 85 95 F 0.42292275192020 0.94395039918211 0.95983118807892 18.998 > 85 96 F 0.75625608525353 0.94395039918211 0.95983118807892 18.998 > 85 97 Zn 0.16666666666667 0.08073682066789 0.37500000000000 65.380 > 97 98 Zn 0.50000000000000 0.08073682066789 0.37500000000000 65.380 > 97 99 Zn 0.83333333333333 0.08073682066789 0.37500000000000 65.380 > 97 100 Zn 0.16666666666667 0.58073682066789 0.37500000000000 65.380 > 97 101 Zn 0.50000000000000 0.58073682066789 0.37500000000000 65.380 > 97 102 Zn 0.83333333333333 0.58073682066789 0.37500000000000 65.380 > 97 103 Zn 0.16666666666667 0.08073682066789 0.87500000000000 65.380 > 97 104 Zn 0.50000000000000 0.08073682066789 0.87500000000000 65.380 > 97 105 Zn 0.83333333333333 0.08073682066789 0.87500000000000 65.380 > 97 106 Zn 0.16666666666667 0.58073682066789 0.87500000000000 65.380 > 97 107 Zn 0.50000000000000 0.58073682066789 0.87500000000000 65.380 > 97 108 Zn 0.83333333333333 0.58073682066789 0.87500000000000 65.380 > 97 109 Zn 0.00000000000000 0.16926317933211 0.12500000000000 65.380 > 109 110 Zn 0.33333333333333 0.16926317933211 0.12500000000000 65.380 > 109 111 Zn 0.66666666666667 0.16926317933211 0.12500000000000 65.380 > 109 112 Zn 0.00000000000000 0.66926317933211 0.12500000000000 65.380 > 109 113 Zn 0.33333333333333 0.66926317933211 0.12500000000000 65.380 > 109 114 Zn 0.66666666666667 0.66926317933211 0.12500000000000 65.380 > 109 115 Zn 0.00000000000000 0.16926317933211 0.62500000000000 65.380 > 109 116 Zn 0.33333333333333 0.16926317933211 0.62500000000000 65.380 > 109 117 Zn 0.66666666666667 0.16926317933211 0.62500000000000 65.380 > 109 118 Zn 0.00000000000000 0.66926317933211 0.62500000000000 65.380 > 109 119 Zn 0.33333333333333 0.66926317933211 0.62500000000000 65.380 > 109 120 Zn 0.66666666666667 0.66926317933211 0.62500000000000 65.380 > 109 121 Zn 0.16666666666667 0.41926317933211 0.12500000000000 65.380 > 121 122 Zn 0.50000000000000 0.41926317933211 0.12500000000000 65.380 > 121 123 Zn 0.83333333333333 0.41926317933211 0.12500000000000 65.380 > 121 124 Zn 0.16666666666667 0.91926317933211 0.12500000000000 65.380 > 121 125 Zn 0.50000000000000 0.91926317933211 0.12500000000000 65.380 > 121 126 Zn 0.83333333333333 0.91926317933211 0.12500000000000 65.380 > 121 127 Zn 0.16666666666667 0.41926317933211 0.62500000000000 65.380 > 121 128 Zn 0.50000000000000 0.41926317933211 0.62500000000000 65.380 > 121 129 Zn 0.83333333333333 0.41926317933211 0.62500000000000 65.380 > 121 130 Zn 0.16666666666667 0.91926317933211 0.62500000000000 65.380 > 121 131 Zn 0.50000000000000 0.91926317933211 0.62500000000000 65.380 > 121 132 Zn 0.83333333333333 0.91926317933211 0.62500000000000 65.380 > 121 133 Zn 0.00000000000000 0.33073682066789 0.37500000000000 65.380 > 133 134 Zn 0.33333333333333 0.33073682066789 0.37500000000000 65.380 > 133 135 Zn 0.66666666666667 0.33073682066789 0.37500000000000 65.380 > 133 136 Zn 0.00000000000000 0.83073682066789 0.37500000000000 65.380 > 133 137 Zn 0.33333333333333 0.83073682066789 0.37500000000000 65.380 > 133 138 Zn 0.66666666666667 0.83073682066789 0.37500000000000 65.380 > 133 139 Zn 0.00000000000000 0.33073682066789 0.87500000000000 65.380 > 133 140 Zn 0.33333333333333 0.33073682066789 0.87500000000000 65.380 > 133 141 Zn 0.66666666666667 0.33073682066789 0.87500000000000 65.380 > 133 142 Zn 0.00000000000000 0.83073682066789 0.87500000000000 65.380 > 133 143 Zn 0.33333333333333 0.83073682066789 0.87500000000000 65.380 > 133 144 Zn 0.66666666666667 0.83073682066789 0.87500000000000 65.380 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.5747021 0.0000000 0.0000000 0.0000000 2.5977204 0.0000000 0.0000000 0.0000000 2.6345028-------------------------- Born effective charges -------------------------- 1 F -1.1209853 -0.3161448 -0.2491706 -0.3387424 -1.1426143 0.0076554 -0.2255369 0.0418913 -1.1730126 2 F -1.1209853 0.3161448 0.2491706 0.3387424 -1.1426143 0.0076554 0.2255369 0.0418913 -1.1730126 3 F -1.1209853 -0.3161448 0.2491706 -0.3387424 -1.1426143 -0.0076554 0.2255369 -0.0418913 -1.1730126 4 F -1.1209853 0.3161448 -0.2491706 0.3387424 -1.1426143 -0.0076554 -0.2255369 -0.0418913 -1.1730126 5 F -1.1209853 0.3161448 -0.2491706 0.3387424 -1.1426143 -0.0076554 -0.2255369 -0.0418913 -1.1730126 6 F -1.1209853 -0.3161448 0.2491706 -0.3387424 -1.1426143 -0.0076554 0.2255369 -0.0418913 -1.1730126 7 F -1.1209853 0.3161448 0.2491706 0.3387424 -1.1426143 0.0076554 0.2255369 0.0418913 -1.1730126 8 F -1.1209853 -0.3161448 -0.2491706 -0.3387424 -1.1426143 0.0076554 -0.2255369 0.0418913 -1.1730126 9 Zn 2.2419707 0.0000000 -0.0797656 0.0000000 2.2852286 0.0000000 -0.0395099 0.0000000 2.3460252 10 Zn 2.2419707 0.0000000 0.0797656 0.0000000 2.2852286 0.0000000 0.0395099 0.0000000 2.3460252 11 Zn 2.2419707 0.0000000 -0.0797656 0.0000000 2.2852286 0.0000000 -0.0395099 0.0000000 2.3460252 12 Zn 2.2419707 0.0000000 0.0797656 0.0000000 2.2852286 0.0000000 0.0395099 0.0000000 2.3460252----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 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: 0.80, Number of G-points: 303, Lambda: 0.14Running 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 3.330 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.815 ( 0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 8.258 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 0.000) 0.000 9.001 ( 0.000 0.000 0.000) 0.000 9.392 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 9.946 ( 0.000 0.000 0.000) 0.000 9.975 ( 0.000 0.000 0.000) 0.000 10.194 ( 0.000 0.000 0.000) 0.000 11.526 ( 0.000 0.000 0.000) 0.000 12.321 ( 0.000 0.000 0.000) 0.000 12.406 ( 0.000 0.000 0.000) 0.000 12.566 ( 0.000 0.000 0.000) 0.000 12.921 ( 0.000 0.000 0.000) 0.000 13.598 ( 0.000 0.000 0.000) 0.000 14.962 ( 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.547 ( 27.963 0.000 0.000) 27.963 0.593 ( 30.491 0.000 0.000) 30.491 0.976 ( 49.565 0.000 0.000) 49.565 3.340 ( 0.871 0.000 0.000) 0.871 3.465 ( 1.757 0.000 0.000) 1.757 3.470 ( -0.812 0.000 0.000) 0.812 3.774 ( -3.902 0.000 0.000) 3.902 4.125 ( 4.973 0.000 0.000) 4.973 4.742 ( -2.410 0.000 0.000) 2.410 4.823 ( -5.295 0.000 0.000) 5.295 5.504 ( -1.694 0.000 0.000) 1.694 5.556 ( -1.054 0.000 0.000) 1.054 5.594 ( -5.488 0.000 0.000) 5.488 5.936 ( 6.770 0.000 0.000) 6.770 5.986 ( 2.870 0.000 0.000) 2.870 6.108 ( 6.252 0.000 0.000) 6.252 6.171 ( -7.722 0.000 0.000) 7.722 6.934 ( 7.219 0.000 0.000) 7.219 7.143 ( 1.139 0.000 0.000) 1.139 7.633 ( -14.359 0.000 0.000) 14.359 8.044 ( 2.853 0.000 0.000) 2.853 8.245 ( -3.122 0.000 0.000) 3.122 8.471 ( -3.796 0.000 0.000) 3.796 8.890 ( -9.643 0.000 0.000) 9.643 9.399 ( 0.570 0.000 0.000) 0.570 9.953 ( 0.778 0.000 0.000) 0.778 9.996 ( 2.037 0.000 0.000) 2.037 10.008 ( -5.799 0.000 0.000) 5.799 10.345 ( 13.870 0.000 0.000) 13.870 12.001 ( -17.837 0.000 0.000) 17.837 12.541 ( -2.567 0.000 0.000) 2.567 12.704 ( -18.978 0.000 0.000) 18.978 12.740 ( 19.112 0.000 0.000) 19.112 13.733 ( 10.627 0.000 0.000) 10.627 14.890 ( 0.319 0.000 0.000) 0.319 14.957 ( -0.467 0.000 0.000) 0.467======================= Grid point 2 (3/180) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 27.044 0.000 0.000) 27.044 1.181 ( 29.961 0.000 0.000) 29.961 1.909 ( 46.189 0.000 0.000) 46.189 3.352 ( -0.169 0.000 0.000) 0.169 3.442 ( -2.188 0.000 0.000) 2.188 3.516 ( 3.477 0.000 0.000) 3.477 3.686 ( -4.579 0.000 0.000) 4.579 4.217 ( 2.321 0.000 0.000) 2.321 4.686 ( -2.832 0.000 0.000) 2.832 4.735 ( -1.807 0.000 0.000) 1.807 5.444 ( -9.573 0.000 0.000) 9.573 5.461 ( -2.577 0.000 0.000) 2.577 5.523 ( -2.004 0.000 0.000) 2.004 5.988 ( -10.569 0.000 0.000) 10.569 6.055 ( 3.709 0.000 0.000) 3.709 6.112 ( 10.786 0.000 0.000) 10.786 6.281 ( 11.295 0.000 0.000) 11.295 7.098 ( 8.888 0.000 0.000) 8.888 7.176 ( 2.229 0.000 0.000) 2.229 7.305 ( -19.061 0.000 0.000) 19.061 8.029 ( -4.592 0.000 0.000) 4.592 8.067 ( -14.292 0.000 0.000) 14.292 8.469 ( 3.348 0.000 0.000) 3.348 8.705 ( -7.986 0.000 0.000) 7.986 9.404 ( -0.401 0.000 0.000) 0.401 9.845 ( -10.842 0.000 0.000) 10.842 9.983 ( 2.613 0.000 0.000) 2.613 10.050 ( 3.580 0.000 0.000) 3.580 10.669 ( 18.383 0.000 0.000) 18.383 11.667 ( -16.609 0.000 0.000) 16.609 12.272 ( -24.394 0.000 0.000) 24.394 12.467 ( -5.097 0.000 0.000) 5.097 13.103 ( 18.105 0.000 0.000) 18.105 13.930 ( 8.818 0.000 0.000) 8.818 14.898 ( 0.467 0.000 0.000) 0.467 14.946 ( -0.705 0.000 0.000) 0.705======================= Grid point 3 (4/180) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( 25.512 0.000 0.000) 25.512 1.751 ( 28.613 0.000 0.000) 28.613 2.745 ( 38.942 0.000 0.000) 38.942 3.314 ( -4.031 0.000 0.000) 4.031 3.382 ( -3.923 0.000 0.000) 3.923 3.600 ( 5.065 0.000 0.000) 5.065 3.614 ( -2.723 0.000 0.000) 2.723 4.156 ( -8.002 0.000 0.000) 8.002 4.659 ( 0.730 0.000 0.000) 0.730 4.794 ( 6.459 0.000 0.000) 6.459 5.244 ( -10.437 0.000 0.000) 10.437 5.414 ( -1.891 0.000 0.000) 1.891 5.504 ( 0.890 0.000 0.000) 0.890 5.770 ( -11.811 0.000 0.000) 11.811 6.109 ( 1.386 0.000 0.000) 1.386 6.337 ( 12.129 0.000 0.000) 12.129 6.536 ( 14.592 0.000 0.000) 14.592 6.888 ( -23.062 0.000 0.000) 23.062 7.229 ( 3.255 0.000 0.000) 3.255 7.269 ( 7.494 0.000 0.000) 7.494 7.750 ( -17.399 0.000 0.000) 17.399 7.883 ( -9.546 0.000 0.000) 9.546 8.564 ( 6.022 0.000 0.000) 6.022 8.602 ( -2.678 0.000 0.000) 2.678 9.368 ( -3.642 0.000 0.000) 3.642 9.597 ( -14.453 0.000 0.000) 14.453 10.064 ( 5.838 0.000 0.000) 5.838 10.138 ( 5.584 0.000 0.000) 5.584 11.031 ( 18.525 0.000 0.000) 18.525 11.356 ( -15.362 0.000 0.000) 15.362 11.787 ( -25.054 0.000 0.000) 25.054 12.344 ( -7.584 0.000 0.000) 7.584 13.434 ( 15.833 0.000 0.000) 15.833 14.061 ( 4.521 0.000 0.000) 4.521 14.906 ( 0.398 0.000 0.000) 0.398 14.932 ( -0.639 0.000 0.000) 0.639======================= Grid point 4 (5/180) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.068 ( 23.380 0.000 0.000) 23.380 2.283 ( 25.921 0.000 0.000) 25.921 3.123 ( -8.897 0.000 0.000) 8.897 3.285 ( -6.697 0.000 0.000) 6.697 3.439 ( 24.474 0.000 0.000) 24.474 3.581 ( -0.372 0.000 0.000) 0.372 3.707 ( 5.726 0.000 0.000) 5.726 3.961 ( -10.976 0.000 0.000) 10.976 4.739 ( 7.999 0.000 0.000) 7.999 4.902 ( 3.453 0.000 0.000) 3.453 5.063 ( -7.580 0.000 0.000) 7.580 5.416 ( 3.026 0.000 0.000) 3.026 5.530 ( -12.961 0.000 0.000) 12.961 5.588 ( 7.965 0.000 0.000) 7.965 6.093 ( -3.263 0.000 0.000) 3.263 6.415 ( -25.218 0.000 0.000) 25.218 6.578 ( 12.619 0.000 0.000) 12.619 6.831 ( 15.400 0.000 0.000) 15.400 7.302 ( 4.330 0.000 0.000) 4.330 7.366 ( 1.697 0.000 0.000) 1.697 7.415 ( -16.781 0.000 0.000) 16.781 7.692 ( -9.546 0.000 0.000) 9.546 8.605 ( 3.318 0.000 0.000) 3.318 8.701 ( 8.097 0.000 0.000) 8.097 9.258 ( -7.654 0.000 0.000) 7.654 9.297 ( -16.040 0.000 0.000) 16.040 10.208 ( 8.772 0.000 0.000) 8.772 10.270 ( 7.914 0.000 0.000) 7.914 11.074 ( -13.490 0.000 0.000) 13.490 11.323 ( -22.085 0.000 0.000) 22.085 11.378 ( 17.030 0.000 0.000) 17.030 12.173 ( -10.047 0.000 0.000) 10.047 13.712 ( 12.682 0.000 0.000) 12.682 14.104 ( -0.165 0.000 0.000) 0.165 14.912 ( 0.216 0.000 0.000) 0.216 14.922 ( -0.384 0.000 0.000) 0.384======================= Grid point 5 (6/180) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.496 ( 20.578 0.000 0.000) 20.578 2.744 ( 21.202 0.000 0.000) 21.202 2.860 ( -16.663 0.000 0.000) 16.663 3.089 ( -13.958 0.000 0.000) 13.958 3.620 ( 4.682 0.000 0.000) 4.682 3.759 ( -9.273 0.000 0.000) 9.273 3.768 ( 8.124 0.000 0.000) 8.124 3.800 ( 2.949 0.000 0.000) 2.949 4.933 ( 0.665 0.000 0.000) 0.665 4.962 ( -2.940 0.000 0.000) 2.940 4.970 ( 14.927 0.000 0.000) 14.927 5.264 ( -14.558 0.000 0.000) 14.558 5.569 ( 13.545 0.000 0.000) 13.545 5.784 ( 11.074 0.000 0.000) 11.074 5.936 ( -23.089 0.000 0.000) 23.089 5.979 ( -8.349 0.000 0.000) 8.349 6.830 ( 13.461 0.000 0.000) 13.461 7.105 ( -15.032 0.000 0.000) 15.032 7.113 ( 13.094 0.000 0.000) 13.094 7.315 ( -6.980 0.000 0.000) 6.980 7.399 ( 5.660 0.000 0.000) 5.660 7.525 ( -7.512 0.000 0.000) 7.512 8.739 ( 10.419 0.000 0.000) 10.419 8.879 ( 10.104 0.000 0.000) 10.104 8.991 ( -14.950 0.000 0.000) 14.950 9.080 ( -10.226 0.000 0.000) 10.226 10.382 ( 7.918 0.000 0.000) 7.918 10.419 ( 5.407 0.000 0.000) 5.407 10.866 ( -5.687 0.000 0.000) 5.687 10.959 ( -14.166 0.000 0.000) 14.166 11.688 ( 14.882 0.000 0.000) 14.882 11.954 ( -12.496 0.000 0.000) 12.496 13.923 ( 8.926 0.000 0.000) 8.926 14.056 ( -4.715 0.000 0.000) 4.715 14.915 ( 0.092 0.000 0.000) 0.092 14.917 ( -0.151 0.000 0.000) 0.151======================= Grid point 11 (7/180) =======================q-point: ( 0.00 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.485 ( 0.000 24.884 0.000) 24.884 0.600 ( 0.000 30.276 0.000) 30.276 1.035 ( 0.000 52.228 0.000) 52.228 3.397 ( 0.000 -2.363 0.000) 2.363 3.469 ( 0.000 13.743 0.000) 13.743 3.555 ( 0.000 2.154 0.000) 2.154 3.862 ( 0.000 7.286 0.000) 7.286 3.871 ( 0.000 -15.518 0.000) 15.518 4.462 ( 0.000 -18.210 0.000) 18.210 4.618 ( 0.000 17.421 0.000) 17.421 5.211 ( 0.000 13.931 0.000) 13.931 5.542 ( 0.000 2.021 0.000) 2.021 5.602 ( 0.000 -5.512 0.000) 5.512 5.881 ( 0.000 -6.226 0.000) 6.226 5.932 ( 0.000 7.481 0.000) 7.481 6.242 ( 0.000 -2.093 0.000) 2.093 6.919 ( 0.000 -0.035 0.000) 0.035 6.960 ( 0.000 9.077 0.000) 9.077 7.190 ( 0.000 5.703 0.000) 5.703 7.760 ( 0.000 -3.938 0.000) 3.938 7.891 ( 0.000 -7.909 0.000) 7.909 8.277 ( 0.000 0.354 0.000) 0.354 8.490 ( 0.000 -2.463 0.000) 2.463 8.919 ( 0.000 -7.888 0.000) 7.888 9.264 ( 0.000 -10.121 0.000) 10.121 9.776 ( 0.000 7.457 0.000) 7.457 10.077 ( 0.000 9.768 0.000) 9.768 10.271 ( 0.000 7.480 0.000) 7.480 11.465 ( 0.000 -6.202 0.000) 6.202 12.253 ( 0.000 -13.819 0.000) 13.819 12.322 ( 0.000 0.179 0.000) 0.179 12.443 ( 0.000 3.621 0.000) 3.621 12.721 ( 0.000 8.321 0.000) 8.321 13.545 ( 0.000 -5.468 0.000) 5.468 14.415 ( 0.000 1.607 0.000) 1.607 14.947 ( 0.000 -1.530 0.000) 1.530======================= Grid point 12 (8/180) =======================q-point: ( 0.09 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.548 ( 12.484 15.955 0.000) 20.258 0.732 ( 20.987 16.612 0.000) 26.766 1.538 ( 36.432 38.837 0.000) 53.251 3.405 ( 0.837 -2.314 0.000) 2.461 3.456 ( -1.196 11.803 0.000) 11.863 3.569 ( 1.459 2.734 0.000) 3.099 3.807 ( -5.421 6.463 0.000) 8.436 3.988 ( 7.630 -18.413 0.000) 19.932 4.501 ( 0.557 -3.740 0.000) 3.781 4.921 ( 13.888 -12.424 0.000) 18.634 5.210 ( 7.849 9.299 0.000) 12.169 5.499 ( -4.261 0.623 0.000) 4.307 5.541 ( -6.119 -5.961 0.000) 8.543 5.883 ( -3.319 10.193 0.000) 10.720 5.911 ( 2.826 -6.252 0.000) 6.861 6.160 ( -7.591 -1.924 0.000) 7.831 6.814 ( -5.196 18.758 0.000) 19.464 7.035 ( 6.842 8.296 0.000) 10.754 7.178 ( 0.226 4.506 0.000) 4.512 7.567 ( -14.101 -5.077 0.000) 14.987 7.978 ( 2.207 -5.732 0.000) 6.142 8.256 ( -2.452 -0.758 0.000) 2.567 8.465 ( -1.097 0.427 0.000) 1.178 8.842 ( -7.190 -4.876 0.000) 8.687 9.343 ( 5.871 -10.480 0.000) 12.013 9.718 ( -5.398 4.072 0.000) 6.762 10.023 ( -2.264 3.756 0.000) 4.385 10.449 ( 14.286 9.422 0.000) 17.113 10.734 ( -31.879 28.112 0.000) 42.503 12.016 ( -17.727 1.544 0.000) 17.794 12.318 ( -6.817 -15.832 0.000) 17.237 12.761 ( 18.900 2.158 0.000) 19.023 12.834 ( -3.817 6.938 0.000) 7.919 13.568 ( 9.480 -12.865 0.000) 15.981 14.657 ( 11.548 -11.267 0.000) 16.134 14.940 ( -0.742 -1.797 0.000) 1.944======================= Grid point 13 (9/180) =======================q-point: ( 0.18 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( 29.296 -7.169 0.000) 30.160 1.186 ( 24.574 10.280 0.000) 26.637 2.274 ( 38.060 28.271 0.000) 47.411 3.418 ( -2.927 7.216 0.000) 7.787 3.428 ( 1.502 -1.526 0.000) 2.141 3.613 ( 2.979 3.251 0.000) 4.410 3.670 ( -8.082 4.659 0.000) 9.329 4.142 ( 7.997 -16.980 0.000) 18.769 4.487 ( -2.517 4.811 0.000) 5.429 4.888 ( -6.140 -1.831 0.000) 6.407 5.378 ( -10.220 -6.843 0.000) 12.299 5.403 ( -4.668 -1.465 0.000) 4.892 5.584 ( 20.038 -4.254 0.000) 20.485 5.846 ( 0.448 7.871 0.000) 7.884 5.953 ( -4.609 -4.701 0.000) 6.583 6.000 ( -2.770 -3.996 0.000) 4.863 6.804 ( 3.656 24.363 0.000) 24.636 7.164 ( 0.146 -2.128 0.000) 2.133 7.201 ( 2.028 2.927 0.000) 3.561 7.283 ( -9.450 6.090 0.000) 11.242 7.901 ( -9.540 -7.132 0.000) 11.911 8.160 ( -7.860 2.572 0.000) 8.270 8.508 ( 5.632 3.945 0.000) 6.877 8.689 ( -7.223 -1.065 0.000) 7.301 9.442 ( 3.657 -2.947 0.000) 4.697 9.584 ( -8.063 -6.001 0.000) 10.051 10.019 ( 1.700 -1.818 0.000) 2.489 10.348 ( -11.906 20.012 0.000) 23.286 10.757 ( 16.554 7.643 0.000) 18.233 11.687 ( -15.855 2.371 0.000) 16.032 12.059 ( -18.417 -14.328 0.000) 23.334 12.669 ( -9.597 13.039 0.000) 16.190 13.119 ( 17.745 1.591 0.000) 17.816 13.792 ( 10.977 -13.507 0.000) 17.405 14.786 ( 3.365 -8.744 0.000) 9.370 14.920 ( -1.201 -2.546 0.000) 2.815======================= Grid point 14 (10/180) =======================q-point: ( 0.27 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 29.861 -11.562 0.000) 32.021 1.661 ( 24.040 6.924 0.000) 25.017 2.965 ( 30.571 16.853 0.000) 34.909 3.344 ( -3.403 4.974 0.000) 6.026 3.457 ( -0.133 5.588 0.000) 5.590 3.507 ( -6.745 -6.503 0.000) 9.369 3.690 ( 4.735 6.454 0.000) 8.005 4.225 ( -4.011 -0.706 0.000) 4.073 4.445 ( 3.195 -7.165 0.000) 7.845 4.828 ( -0.258 -2.614 0.000) 2.627 5.165 ( -11.105 -7.873 0.000) 13.613 5.345 ( -0.578 -1.624 0.000) 1.724 5.750 ( -11.800 -2.452 0.000) 12.052 5.757 ( 0.596 18.203 0.000) 18.213 6.029 ( 0.902 -7.111 0.000) 7.168 6.050 ( 18.056 -12.210 0.000) 21.797 6.857 ( -20.659 -4.159 0.000) 21.073 6.929 ( 8.736 22.780 0.000) 24.398 7.253 ( 3.214 2.487 0.000) 4.064 7.358 ( 5.050 9.032 0.000) 10.348 7.669 ( -12.578 -4.901 0.000) 13.499 7.962 ( -11.662 4.431 0.000) 12.475 8.583 ( -3.306 -1.360 0.000) 3.575 8.656 ( 8.659 8.820 0.000) 12.360 9.363 ( -11.648 -2.294 0.000) 11.872 9.509 ( -0.412 -4.576 0.000) 4.595 10.082 ( 4.766 -4.692 0.000) 6.688 10.206 ( -3.043 11.140 0.000) 11.549 11.048 ( 10.652 0.516 0.000) 10.665 11.428 ( -8.320 7.849 0.000) 11.438 11.656 ( -21.999 -10.907 0.000) 24.555 12.485 ( -9.595 11.970 0.000) 15.341 13.441 ( 15.280 0.668 0.000) 15.295 13.962 ( 6.349 -10.174 0.000) 11.993 14.825 ( 1.094 -7.207 0.000) 7.290 14.896 ( -1.263 -3.629 0.000) 3.842======================= Grid point 15 (11/180) =======================q-point: ( 0.36 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.111 ( 22.080 4.369 0.000) 22.508 2.150 ( 27.315 -11.539 0.000) 29.652 3.107 ( -9.700 -0.930 0.000) 9.744 3.300 ( -11.265 -1.923 0.000) 11.428 3.525 ( 3.544 -1.094 0.000) 3.709 3.590 ( 21.258 13.338 0.000) 25.096 3.793 ( 5.594 7.254 0.000) 9.161 4.030 ( -12.510 5.218 0.000) 13.554 4.613 ( 11.200 -11.979 0.000) 16.399 4.841 ( 1.737 -2.789 0.000) 3.286 4.969 ( -8.611 -9.248 0.000) 12.636 5.400 ( 6.182 -1.555 0.000) 6.375 5.514 ( -12.494 -1.855 0.000) 12.631 5.777 ( 2.674 16.102 0.000) 16.322 6.002 ( -4.163 -8.053 0.000) 9.065 6.397 ( 17.173 -9.251 0.000) 19.506 6.442 ( -21.305 1.606 0.000) 21.366 7.125 ( 10.932 19.996 0.000) 22.790 7.294 ( -12.432 -4.159 0.000) 13.109 7.326 ( 4.381 2.441 0.000) 5.015 7.534 ( -0.884 9.330 0.000) 9.372 7.741 ( -10.626 4.138 0.000) 11.404 8.556 ( 0.972 -2.430 0.000) 2.618 8.845 ( 10.585 11.795 0.000) 15.849 9.105 ( -14.193 -7.443 0.000) 16.026 9.447 ( -6.220 6.888 0.000) 9.280 10.201 ( 7.285 -6.265 0.000) 9.609 10.224 ( 4.388 1.747 0.000) 4.723 11.013 ( -9.951 -4.705 0.000) 11.007 11.241 ( -19.981 -7.308 0.000) 21.276 11.518 ( 13.422 12.311 0.000) 18.213 12.287 ( -10.935 10.590 0.000) 15.222 13.707 ( 11.962 -0.613 0.000) 11.978 14.037 ( 1.327 -7.007 0.000) 7.131 14.838 ( 0.453 -6.868 0.000) 6.883 14.873 ( -1.021 -4.831 0.000) 4.938======================= Grid point 16 (12/180) =======================q-point: ( 0.45 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.512 ( 19.129 1.749 0.000) 19.209 2.637 ( 22.143 -10.507 0.000) 24.509 2.858 ( -14.726 0.547 0.000) 14.736 3.032 ( -16.742 -6.670 0.000) 18.022 3.624 ( 6.891 1.930 0.000) 7.156 3.796 ( -10.738 3.931 0.000) 11.435 3.868 ( 6.613 8.749 0.000) 10.967 3.887 ( 3.167 7.841 0.000) 8.456 4.767 ( 3.705 -14.051 0.000) 14.532 4.840 ( -4.796 -11.485 0.000) 12.446 4.985 ( 13.638 1.120 0.000) 13.684 5.261 ( -13.696 -0.350 0.000) 13.700 5.577 ( 12.015 -2.728 0.000) 12.321 5.840 ( -12.842 -7.886 0.000) 15.070 5.879 ( 7.791 11.137 0.000) 13.592 6.083 ( -14.132 8.221 0.000) 16.350 6.715 ( 15.728 -6.918 0.000) 17.182 7.014 ( -15.148 -5.764 0.000) 16.208 7.334 ( 10.061 16.836 0.000) 19.613 7.424 ( 5.798 2.596 0.000) 6.353 7.489 ( -5.126 13.425 0.000) 14.370 7.557 ( -8.178 3.259 0.000) 8.803 8.636 ( 7.482 -5.364 0.000) 9.206 8.838 ( -12.712 -7.625 0.000) 14.823 9.062 ( 11.595 13.287 0.000) 17.635 9.280 ( -10.409 12.060 0.000) 15.931 10.334 ( 5.193 -4.557 0.000) 6.909 10.339 ( 5.301 -7.375 0.000) 9.083 10.843 ( -4.919 -2.252 0.000) 5.410 10.916 ( -12.149 -3.878 0.000) 12.753 11.796 ( 14.238 10.286 0.000) 17.565 12.058 ( -12.689 9.942 0.000) 16.120 13.902 ( 8.021 -2.250 0.000) 8.330 14.015 ( -3.549 -4.345 0.000) 5.611 14.846 ( 0.424 -6.589 0.000) 6.603 14.857 ( -0.677 -5.898 0.000) 5.937======================= Grid point 22 (13/180) =======================q-point: ( 0.00 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( 0.000 25.172 0.000) 25.172 1.176 ( 0.000 28.391 0.000) 28.391 2.029 ( 0.000 49.216 0.000) 49.216 3.297 ( 0.000 -9.309 0.000) 9.309 3.512 ( 0.000 -21.026 0.000) 21.026 3.571 ( 0.000 1.814 0.000) 1.814 3.840 ( 0.000 23.291 0.000) 23.291 4.120 ( 0.000 17.200 0.000) 17.200 4.160 ( 0.000 -12.300 0.000) 12.300 5.009 ( 0.000 21.845 0.000) 21.845 5.355 ( 0.000 1.244 0.000) 1.244 5.391 ( 0.000 -16.243 0.000) 16.243 5.596 ( 0.000 3.294 0.000) 3.294 5.775 ( 0.000 -4.320 0.000) 4.320 6.148 ( 0.000 -7.745 0.000) 7.745 6.192 ( 0.000 18.566 0.000) 18.566 6.931 ( 0.000 1.413 0.000) 1.413 7.060 ( 0.000 -3.195 0.000) 3.195 7.345 ( 0.000 9.912 0.000) 9.912 7.688 ( 0.000 -12.070 0.000) 12.070 7.779 ( 0.000 7.972 0.000) 7.972 8.196 ( 0.000 -7.823 0.000) 7.823 8.521 ( 0.000 6.559 0.000) 6.559 8.716 ( 0.000 -12.389 0.000) 12.389 9.051 ( 0.000 -11.257 0.000) 11.257 9.898 ( 0.000 4.086 0.000) 4.086 10.324 ( 0.000 14.764 0.000) 14.764 10.462 ( 0.000 11.202 0.000) 11.202 11.296 ( 0.000 -10.514 0.000) 10.514 11.964 ( 0.000 -15.633 0.000) 15.633 12.339 ( 0.000 1.945 0.000) 1.945 12.539 ( 0.000 5.994 0.000) 5.994 12.849 ( 0.000 4.603 0.000) 4.603 13.388 ( 0.000 -10.373 0.000) 10.373 14.463 ( 0.000 3.244 0.000) 3.244 14.903 ( 0.000 -2.981 0.000) 2.981======================= Grid point 23 (14/180) =======================q-point: ( 0.09 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( -6.161 29.778 0.000) 30.409 1.120 ( 13.884 22.017 0.000) 26.029 2.322 ( 24.645 40.308 0.000) 47.245 3.300 ( 0.224 -9.859 0.000) 9.861 3.554 ( 3.220 -21.326 0.000) 21.568 3.594 ( 2.281 2.481 0.000) 3.370 3.800 ( -2.809 19.648 0.000) 19.847 4.054 ( -6.290 16.524 0.000) 17.681 4.319 ( 13.496 -11.822 0.000) 17.942 5.028 ( -2.452 14.903 0.000) 15.104 5.308 ( -0.685 1.519 0.000) 1.667 5.334 ( -5.905 -15.461 0.000) 16.550 5.574 ( -1.220 6.103 0.000) 6.224 5.794 ( 1.803 -5.332 0.000) 5.629 6.071 ( -7.262 -7.350 0.000) 10.332 6.187 ( -0.461 19.710 0.000) 19.715 6.986 ( 5.130 3.768 0.000) 6.365 7.074 ( -0.335 -7.913 0.000) 7.921 7.331 ( -0.929 10.350 0.000) 10.392 7.549 ( -6.124 2.270 0.000) 6.532 7.890 ( 2.260 0.387 0.000) 2.293 8.153 ( -2.461 -9.460 0.000) 9.775 8.529 ( 0.961 5.537 0.000) 5.620 8.713 ( -0.245 -6.888 0.000) 6.892 9.109 ( 5.336 -12.092 0.000) 13.218 9.833 ( -6.546 4.704 0.000) 8.060 10.166 ( -8.877 10.766 0.000) 13.954 10.663 ( 13.243 11.400 0.000) 17.474 10.998 ( -21.377 2.408 0.000) 21.512 11.991 ( -4.121 -17.323 0.000) 17.806 12.068 ( -16.747 4.062 0.000) 17.233 12.822 ( 18.061 4.046 0.000) 18.509 12.925 ( 4.892 1.895 0.000) 5.247 13.337 ( -1.078 -10.206 0.000) 10.263 14.543 ( 6.067 -1.822 0.000) 6.334 14.888 ( -1.449 -3.402 0.000) 3.697======================= Grid point 24 (15/180) =======================q-point: ( 0.18 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( 11.619 16.002 0.000) 19.776 1.458 ( 19.754 16.858 0.000) 25.969 2.842 ( 26.723 28.314 0.000) 38.933 3.301 ( -0.320 -11.838 0.000) 11.842 3.554 ( -3.989 -5.146 0.000) 6.511 3.650 ( 2.842 4.733 0.000) 5.521 3.826 ( 6.940 -0.190 0.000) 6.943 3.910 ( -7.142 15.036 0.000) 16.646 4.579 ( 11.764 -4.685 0.000) 12.662 4.829 ( -14.893 2.769 0.000) 15.148 5.169 ( -10.652 -14.596 0.000) 18.069 5.343 ( -0.560 -0.089 0.000) 0.567 5.653 ( 11.716 8.429 0.000) 14.433 5.820 ( -1.561 -8.300 0.000) 8.446 5.910 ( -6.727 -5.333 0.000) 8.584 6.175 ( -0.840 20.973 0.000) 20.990 6.970 ( -10.510 -13.520 0.000) 17.125 7.111 ( 7.487 7.808 0.000) 10.818 7.326 ( 0.736 10.454 0.000) 10.480 7.537 ( 4.239 12.157 0.000) 12.874 7.782 ( -11.124 -2.934 0.000) 11.504 8.126 ( -2.923 -5.993 0.000) 6.668 8.556 ( 0.902 -0.978 0.000) 1.331 8.737 ( 4.350 7.793 0.000) 8.925 9.221 ( 5.140 -12.883 0.000) 13.871 9.661 ( -10.275 5.644 0.000) 11.723 10.037 ( -4.146 4.619 0.000) 6.207 10.637 ( -15.129 8.754 0.000) 17.479 10.908 ( 10.991 6.622 0.000) 12.832 11.773 ( -16.240 -14.844 0.000) 22.001 11.777 ( -12.157 7.336 0.000) 14.198 12.904 ( -6.260 10.231 0.000) 11.994 13.162 ( 16.565 2.674 0.000) 16.780 13.458 ( 11.262 -18.805 0.000) 21.920 14.638 ( 3.319 -5.688 0.000) 6.585 14.850 ( -2.461 -4.560 0.000) 5.182======================= Grid point 25 (16/180) =======================q-point: ( 0.27 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( 22.695 -0.487 0.000) 22.700 1.854 ( 20.436 12.407 0.000) 23.907 3.222 ( 5.194 9.222 0.000) 10.584 3.266 ( -4.180 -15.013 0.000) 15.584 3.536 ( 9.316 8.391 0.000) 12.538 3.652 ( -2.633 10.717 0.000) 11.035 3.862 ( 3.213 10.707 0.000) 11.179 4.019 ( 11.373 -6.265 0.000) 12.984 4.521 ( -14.764 2.653 0.000) 15.000 4.764 ( 6.402 -0.386 0.000) 6.414 4.942 ( -12.085 -14.679 0.000) 19.013 5.308 ( -1.029 -1.736 0.000) 2.018 5.662 ( -10.662 -6.801 0.000) 12.647 5.881 ( -0.547 -7.069 0.000) 7.090 5.951 ( 16.391 1.237 0.000) 16.438 6.156 ( -0.483 21.728 0.000) 21.733 6.713 ( -14.826 -10.025 0.000) 17.897 7.264 ( 7.660 8.025 0.000) 11.094 7.371 ( 4.300 12.741 0.000) 13.447 7.522 ( -13.967 -0.074 0.000) 13.967 7.657 ( 5.927 9.643 0.000) 11.319 8.004 ( -8.862 -0.487 0.000) 8.876 8.544 ( -1.534 -2.215 0.000) 2.695 8.897 ( 10.854 14.577 0.000) 18.174 9.227 ( -7.422 -9.612 0.000) 12.144 9.516 ( -1.823 3.154 0.000) 3.643 10.007 ( 0.971 -1.688 0.000) 1.948 10.403 ( -9.344 7.665 0.000) 12.085 11.025 ( -0.582 -2.653 0.000) 2.716 11.424 ( -18.588 -12.070 0.000) 22.163 11.659 ( 1.543 14.964 0.000) 15.043 12.745 ( -9.538 13.652 0.000) 16.654 13.456 ( 13.541 0.654 0.000) 13.557 13.673 ( 9.856 -18.581 0.000) 21.033 14.677 ( 0.919 -7.012 0.000) 7.072 14.797 ( -2.788 -6.155 0.000) 6.757======================= Grid point 26 (17/180) =======================q-point: ( 0.36 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 24.649 -9.882 0.000) 26.556 2.235 ( 18.481 8.032 0.000) 20.151 3.114 ( -11.479 -14.770 0.000) 18.706 3.120 ( -9.855 2.556 0.000) 10.181 3.630 ( 1.307 9.161 0.000) 9.254 3.818 ( 13.018 3.901 0.000) 13.590 3.970 ( 6.562 10.550 0.000) 12.424 4.120 ( -6.169 6.610 0.000) 9.041 4.377 ( 4.475 -9.235 0.000) 10.262 4.722 ( -10.203 -15.445 0.000) 18.511 4.858 ( 4.948 4.465 0.000) 6.664 5.343 ( 4.764 -4.036 0.000) 6.244 5.455 ( -10.478 -4.129 0.000) 11.262 5.828 ( -5.424 -8.957 0.000) 10.471 6.106 ( 0.326 13.109 0.000) 13.113 6.314 ( 16.095 3.650 0.000) 16.504 6.431 ( -13.307 -3.275 0.000) 13.704 7.236 ( -15.214 -1.826 0.000) 15.323 7.384 ( 5.222 4.556 0.000) 6.930 7.507 ( 8.900 17.100 0.000) 19.277 7.745 ( 1.290 11.263 0.000) 11.337 7.825 ( -7.712 4.241 0.000) 8.801 8.522 ( -0.108 -1.174 0.000) 1.179 8.989 ( -14.212 -4.680 0.000) 14.963 9.121 ( 11.697 15.545 0.000) 19.455 9.534 ( 0.721 2.214 0.000) 2.329 10.066 ( 4.815 -6.393 0.000) 8.003 10.270 ( -4.277 2.340 0.000) 4.875 10.917 ( -8.122 -4.943 0.000) 9.507 11.082 ( -16.051 -8.181 0.000) 18.015 11.808 ( 11.656 16.752 0.000) 20.408 12.542 ( -11.279 14.613 0.000) 18.460 13.682 ( 9.659 -2.134 0.000) 9.892 13.822 ( 5.293 -14.901 0.000) 15.813 14.684 ( 0.087 -7.892 0.000) 7.893 14.746 ( -2.417 -7.712 0.000) 8.082======================= Grid point 27 (18/180) =======================q-point: ( 0.45 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.376 ( 21.107 -14.802 0.000) 25.780 2.544 ( 10.770 -0.748 0.000) 10.796 2.851 ( -12.750 -8.525 0.000) 15.338 2.905 ( -11.575 4.429 0.000) 12.393 3.704 ( 6.146 5.320 0.000) 8.128 3.856 ( -8.352 1.336 0.000) 8.458 4.077 ( 3.662 9.950 0.000) 10.602 4.080 ( 3.671 11.082 0.000) 11.674 4.474 ( 3.321 -12.839 0.000) 13.261 4.559 ( -6.358 -15.922 0.000) 17.144 5.022 ( 11.579 2.699 0.000) 11.890 5.249 ( -11.079 -0.895 0.000) 11.115 5.478 ( 8.736 -6.257 0.000) 10.746 5.669 ( -10.178 -8.952 0.000) 13.555 6.128 ( 2.705 11.046 0.000) 11.373 6.226 ( -7.596 4.692 0.000) 8.928 6.629 ( 16.039 -0.684 0.000) 16.053 6.936 ( -15.612 -1.562 0.000) 15.690 7.493 ( 6.255 4.550 0.000) 7.735 7.631 ( -7.914 4.684 0.000) 9.196 7.674 ( 7.506 16.493 0.000) 18.121 7.776 ( -2.648 14.260 0.000) 14.504 8.566 ( 5.274 -1.904 0.000) 5.607 8.732 ( -11.485 -3.273 0.000) 11.942 9.335 ( 10.011 13.844 0.000) 17.085 9.491 ( -5.431 8.761 0.000) 10.307 10.170 ( 4.861 -9.060 0.000) 10.282 10.226 ( -1.308 -5.902 0.000) 6.045 10.787 ( -3.518 -3.081 0.000) 4.676 10.833 ( -8.465 -4.018 0.000) 9.370 12.056 ( 13.255 15.667 0.000) 20.522 12.309 ( -12.621 15.023 0.000) 19.621 13.826 ( 5.057 -5.788 0.000) 7.686 13.875 ( 0.100 -10.260 0.000) 10.261 14.688 ( 0.486 -8.607 0.000) 8.621 14.707 ( -1.510 -8.650 0.000) 8.781======================= Grid point 33 (19/180) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( 0.000 25.195 0.000) 25.195 1.702 ( 0.000 25.051 0.000) 25.051 2.947 ( 0.000 44.402 0.000) 44.402 3.047 ( 0.000 -15.457 0.000) 15.457 3.068 ( 0.000 -23.648 0.000) 23.648 3.637 ( 0.000 4.385 0.000) 4.385 3.968 ( 0.000 -7.848 0.000) 7.848 4.345 ( 0.000 27.599 0.000) 27.599 4.478 ( 0.000 18.553 0.000) 18.553 4.988 ( 0.000 -24.525 0.000) 24.525 5.271 ( 0.000 -5.332 0.000) 5.332 5.488 ( 0.000 23.076 0.000) 23.076 5.665 ( 0.000 3.613 0.000) 3.613 5.671 ( 0.000 -8.389 0.000) 8.389 5.955 ( 0.000 -10.480 0.000) 10.480 6.606 ( 0.000 22.630 0.000) 22.630 6.835 ( 0.000 -17.428 0.000) 17.428 6.979 ( 0.000 3.663 0.000) 3.663 7.447 ( 0.000 -12.020 0.000) 12.020 7.571 ( 0.000 13.075 0.000) 13.075 7.807 ( 0.000 -12.081 0.000) 12.081 8.200 ( 0.000 11.493 0.000) 11.493 8.448 ( 0.000 -14.741 0.000) 14.741 8.756 ( 0.000 18.195 0.000) 18.195 8.833 ( 0.000 -10.892 0.000) 10.892 9.895 ( 0.000 -5.580 0.000) 5.580 10.636 ( 0.000 16.797 0.000) 16.797 10.675 ( 0.000 9.848 0.000) 9.848 11.086 ( 0.000 -9.909 0.000) 9.909 11.647 ( 0.000 -16.724 0.000) 16.724 12.416 ( 0.000 6.359 0.000) 6.359 12.665 ( 0.000 6.602 0.000) 6.602 12.899 ( 0.000 0.514 0.000) 0.514 13.148 ( 0.000 -13.888 0.000) 13.888 14.540 ( 0.000 4.603 0.000) 4.603 14.832 ( 0.000 -4.227 0.000) 4.227======================= Grid point 34 (20/180) =======================q-point: ( 0.09 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.570 ( 9.946 23.543 0.000) 25.557 1.622 ( -6.439 27.495 0.000) 28.239 3.038 ( -0.960 -16.087 0.000) 16.115 3.059 ( 8.395 11.772 0.000) 14.459 3.138 ( 8.428 2.724 0.000) 8.858 3.675 ( 3.801 5.217 0.000) 6.455 4.061 ( 6.880 -5.641 0.000) 8.897 4.317 ( -0.404 22.932 0.000) 22.935 4.391 ( -8.143 16.879 0.000) 18.741 4.953 ( -4.062 -22.813 0.000) 23.172 5.131 ( -12.797 -4.843 0.000) 13.683 5.522 ( 1.284 19.148 0.000) 19.191 5.659 ( -1.471 -10.900 0.000) 10.999 5.694 ( 3.810 6.631 0.000) 7.648 5.903 ( -4.456 -7.844 0.000) 9.021 6.610 ( 0.276 22.726 0.000) 22.727 6.803 ( -3.854 -17.581 0.000) 17.999 7.052 ( 6.958 3.976 0.000) 8.013 7.466 ( 2.490 -9.047 0.000) 9.384 7.559 ( -0.942 12.633 0.000) 12.669 7.864 ( 4.502 -14.626 0.000) 15.303 8.083 ( -9.416 7.402 0.000) 11.977 8.499 ( 2.963 -6.091 0.000) 6.773 8.808 ( 5.436 16.670 0.000) 17.534 8.882 ( 4.622 -11.068 0.000) 11.994 9.847 ( -4.905 -4.396 0.000) 6.587 10.420 ( -11.877 14.418 0.000) 18.680 10.869 ( 9.459 9.398 0.000) 13.334 10.948 ( -11.643 -5.290 0.000) 12.788 11.647 ( -3.010 -17.650 0.000) 17.905 12.188 ( -14.068 8.488 0.000) 16.431 12.876 ( 0.619 -7.445 0.000) 7.471 12.913 ( 16.458 5.059 0.000) 17.218 13.181 ( 1.733 -5.464 0.000) 5.732 14.552 ( 0.948 2.237 0.000) 2.430 14.809 ( -2.260 -4.590 0.000) 5.116======================= Grid point 35 (21/180) =======================q-point: ( 0.18 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.531 ( -1.437 25.462 0.000) 25.502 1.822 ( 15.160 19.734 0.000) 24.884 3.005 ( -2.574 -17.649 0.000) 17.836 3.197 ( 6.290 -21.511 0.000) 22.411 3.368 ( 11.932 25.228 0.000) 27.908 3.775 ( 6.137 7.490 0.000) 9.683 4.109 ( 0.481 14.174 0.000) 14.182 4.206 ( -9.770 14.248 0.000) 17.276 4.451 ( 11.672 -0.274 0.000) 11.675 4.821 ( -9.304 -20.163 0.000) 22.206 4.844 ( -14.907 -3.644 0.000) 15.345 5.476 ( -5.325 11.467 0.000) 12.643 5.596 ( -5.199 -15.241 0.000) 16.103 5.825 ( -3.030 -3.022 0.000) 4.279 5.835 ( 9.608 10.148 0.000) 13.975 6.608 ( -0.702 22.493 0.000) 22.503 6.679 ( -8.541 -15.733 0.000) 17.902 7.219 ( 9.300 5.296 0.000) 10.702 7.523 ( 1.240 -8.536 0.000) 8.626 7.555 ( 1.236 11.924 0.000) 11.988 7.887 ( -4.787 0.992 0.000) 4.889 7.954 ( 0.121 -6.001 0.000) 6.002 8.532 ( 0.526 0.445 0.000) 0.689 8.961 ( 9.913 14.600 0.000) 17.647 8.984 ( 5.000 -11.350 0.000) 12.403 9.713 ( -8.351 -1.374 0.000) 8.463 10.207 ( -9.722 12.182 0.000) 15.586 10.708 ( -12.250 -0.403 0.000) 12.257 10.996 ( 2.744 2.616 0.000) 3.791 11.479 ( -13.234 -15.150 0.000) 20.117 11.983 ( -5.682 13.514 0.000) 14.660 12.960 ( 5.909 -10.967 0.000) 12.458 13.195 ( 0.828 -1.371 0.000) 1.601 13.217 ( 14.294 2.660 0.000) 14.540 14.567 ( 0.456 -1.633 0.000) 1.695 14.749 ( -3.811 -5.509 0.000) 6.699======================= Grid point 36 (22/180) =======================q-point: ( 0.27 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( 8.042 14.327 0.000) 16.430 2.126 ( 15.439 14.571 0.000) 21.229 2.931 ( -5.097 -18.318 0.000) 19.014 3.268 ( -0.482 -11.129 0.000) 11.140 3.550 ( 7.900 6.892 0.000) 10.484 3.862 ( 0.269 10.451 0.000) 10.454 4.084 ( 0.090 11.089 0.000) 11.089 4.203 ( 9.233 15.265 0.000) 17.841 4.463 ( -12.914 -4.020 0.000) 13.526 4.612 ( -11.552 -18.183 0.000) 21.543 4.778 ( 9.869 -0.917 0.000) 9.912 5.356 ( -6.059 7.271 0.000) 9.464 5.475 ( -6.666 -12.395 0.000) 14.074 5.769 ( -3.590 -4.576 0.000) 5.816 6.028 ( 9.686 5.382 0.000) 11.081 6.495 ( -9.717 -11.482 0.000) 15.042 6.585 ( -1.316 21.380 0.000) 21.420 7.380 ( 6.745 6.341 0.000) 9.258 7.429 ( -10.166 -7.242 0.000) 12.482 7.631 ( 6.835 12.062 0.000) 13.864 7.885 ( 4.285 9.010 0.000) 9.977 7.936 ( -2.946 -6.540 0.000) 7.173 8.528 ( -0.618 1.846 0.000) 1.947 9.030 ( -1.758 -10.257 0.000) 10.406 9.177 ( 11.825 13.054 0.000) 17.613 9.567 ( -4.875 1.134 0.000) 5.005 10.057 ( -5.470 7.231 0.000) 9.067 10.484 ( -10.824 0.689 0.000) 10.846 10.962 ( -5.519 -3.237 0.000) 6.399 11.196 ( -14.686 -11.177 0.000) 18.456 11.989 ( 5.655 18.370 0.000) 19.220 12.977 ( -4.701 6.999 0.000) 8.431 13.295 ( 9.114 -16.549 0.000) 18.893 13.457 ( 10.301 -0.864 0.000) 10.337 14.567 ( -0.417 -4.054 0.000) 4.076 14.669 ( -4.170 -6.507 0.000) 7.729======================= Grid point 37 (23/180) =======================q-point: ( 0.36 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( 14.216 0.378 0.000) 14.221 2.381 ( 8.947 3.729 0.000) 9.693 2.823 ( -4.567 -11.096 0.000) 11.999 3.182 ( -7.147 1.851 0.000) 7.383 3.709 ( 8.078 -8.030 0.000) 11.390 3.810 ( -2.846 8.259 0.000) 8.736 4.179 ( 5.722 8.524 0.000) 10.266 4.206 ( -11.419 -3.760 0.000) 12.022 4.399 ( 8.491 12.372 0.000) 15.006 4.406 ( -8.182 -14.076 0.000) 16.281 4.958 ( 7.170 3.539 0.000) 7.996 5.285 ( -0.095 0.014 0.000) 0.096 5.349 ( -6.243 -6.919 0.000) 9.319 5.664 ( -7.313 -7.748 0.000) 10.654 6.183 ( 5.402 0.175 0.000) 5.405 6.330 ( -6.645 -6.014 0.000) 8.963 6.588 ( 2.852 17.596 0.000) 17.826 7.196 ( -12.872 -3.034 0.000) 13.224 7.490 ( 5.267 6.583 0.000) 8.431 7.796 ( 9.054 12.202 0.000) 15.195 7.847 ( -5.843 -0.229 0.000) 5.847 7.979 ( 4.181 8.938 0.000) 9.867 8.520 ( 0.162 1.683 0.000) 1.690 8.899 ( -10.339 -5.194 0.000) 11.570 9.402 ( 10.863 11.569 0.000) 15.870 9.557 ( 2.761 0.657 0.000) 2.838 9.996 ( -1.016 0.263 0.000) 1.049 10.285 ( -9.649 -1.317 0.000) 9.739 10.830 ( -6.835 -3.576 0.000) 7.714 10.939 ( -11.309 -6.265 0.000) 12.928 12.160 ( 11.037 19.106 0.000) 22.065 12.831 ( -9.483 14.001 0.000) 16.910 13.477 ( 8.659 -19.069 0.000) 20.942 13.610 ( 5.378 -5.583 0.000) 7.752 14.554 ( -0.780 -5.157 0.000) 5.215 14.596 ( -3.187 -6.944 0.000) 7.640======================= Grid point 38 (24/180) =======================q-point: ( 0.45 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.114 ( 15.224 -10.696 0.000) 18.606 2.371 ( -9.588 -14.428 0.000) 17.323 2.853 ( 7.431 7.079 0.000) 10.263 3.023 ( -8.903 6.977 0.000) 11.311 3.794 ( 1.254 3.026 0.000) 3.275 3.817 ( 1.378 -6.190 0.000) 6.341 4.070 ( -0.707 -6.722 0.000) 6.759 4.153 ( -6.505 -10.881 0.000) 12.677 4.402 ( 5.392 7.824 0.000) 9.502 4.478 ( -0.824 10.367 0.000) 10.400 5.084 ( 7.034 3.242 0.000) 7.745 5.225 ( -6.884 -1.717 0.000) 7.095 5.353 ( 6.165 -5.918 0.000) 8.546 5.501 ( -8.696 -8.184 0.000) 11.942 6.230 ( 0.444 0.045 0.000) 0.446 6.247 ( -2.113 -1.681 0.000) 2.700 6.719 ( 10.076 8.421 0.000) 13.132 6.946 ( -12.672 1.448 0.000) 12.754 7.599 ( 6.033 6.133 0.000) 8.603 7.723 ( -6.603 4.216 0.000) 7.834 7.949 ( 6.184 11.263 0.000) 12.849 8.018 ( -0.617 9.752 0.000) 9.772 8.557 ( 4.301 0.963 0.000) 4.408 8.694 ( -9.537 -1.153 0.000) 9.606 9.573 ( 5.982 9.714 0.000) 11.408 9.613 ( 1.557 4.033 0.000) 4.323 10.013 ( 2.895 -6.339 0.000) 6.969 10.115 ( -7.488 -5.424 0.000) 9.247 10.737 ( -1.919 -1.686 0.000) 2.555 10.772 ( -5.486 -2.125 0.000) 5.884 12.391 ( 12.262 18.220 0.000) 21.962 12.624 ( -11.571 16.695 0.000) 20.313 13.612 ( 4.985 -16.146 0.000) 16.897 13.662 ( -0.033 -11.118 0.000) 11.118 14.543 ( -0.248 -5.801 0.000) 5.806 14.552 ( -1.318 -6.524 0.000) 6.656======================= Grid point 44 (25/180) =======================q-point: ( 0.00 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 0.000 22.336 0.000) 22.336 2.111 ( 0.000 12.709 0.000) 12.709 2.644 ( 0.000 -15.437 0.000) 15.437 2.724 ( 0.000 -16.222 0.000) 16.222 3.730 ( 0.000 5.098 0.000) 5.098 3.757 ( 0.000 38.258 0.000) 38.258 3.837 ( 0.000 -5.897 0.000) 5.897 4.440 ( 0.000 -31.502 0.000) 31.502 4.820 ( 0.000 16.016 0.000) 16.016 4.888 ( 0.000 27.186 0.000) 27.186 5.094 ( 0.000 -11.798 0.000) 11.798 5.375 ( 0.000 -21.427 0.000) 21.427 5.734 ( 0.000 3.485 0.000) 3.485 5.809 ( 0.000 -4.681 0.000) 4.681 5.967 ( 0.000 24.745 0.000) 24.745 6.435 ( 0.000 -22.727 0.000) 22.727 7.051 ( 0.000 22.504 0.000) 22.504 7.078 ( 0.000 6.468 0.000) 6.468 7.234 ( 0.000 -9.537 0.000) 9.537 7.471 ( 0.000 -20.082 0.000) 20.082 7.848 ( 0.000 15.023 0.000) 15.023 8.149 ( 0.000 -15.585 0.000) 15.585 8.428 ( 0.000 10.564 0.000) 10.564 8.627 ( 0.000 -10.192 0.000) 10.192 9.204 ( 0.000 25.223 0.000) 25.223 9.653 ( 0.000 -18.881 0.000) 18.881 10.830 ( 0.000 6.029 0.000) 6.029 10.935 ( 0.000 -5.711 0.000) 5.711 10.972 ( 0.000 17.437 0.000) 17.437 11.313 ( 0.000 -17.333 0.000) 17.333 12.595 ( 0.000 11.870 0.000) 11.870 12.786 ( 0.000 5.531 0.000) 5.531 12.862 ( 0.000 -14.768 0.000) 14.768 12.872 ( 0.000 -3.049 0.000) 3.049 14.638 ( 0.000 5.254 0.000) 5.254 14.740 ( 0.000 -5.069 0.000) 5.069======================= Grid point 45 (26/180) =======================q-point: ( 0.09 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.016 ( 6.969 20.485 0.000) 21.638 2.090 ( -2.406 17.451 0.000) 17.616 2.672 ( 3.316 -17.664 0.000) 17.973 2.703 ( -2.007 -16.491 0.000) 16.612 3.786 ( 5.519 6.020 0.000) 8.167 3.790 ( 3.542 30.457 0.000) 30.662 3.928 ( 7.955 -3.668 0.000) 8.760 4.413 ( -3.077 -27.024 0.000) 27.199 4.734 ( -8.131 12.629 0.000) 15.020 4.830 ( -4.732 26.418 0.000) 26.838 4.974 ( -11.241 -10.047 0.000) 15.077 5.323 ( -4.726 -22.312 0.000) 22.807 5.738 ( -0.649 4.168 0.000) 4.219 5.804 ( -0.591 -3.297 0.000) 3.350 5.996 ( 2.883 22.016 0.000) 22.204 6.423 ( -1.647 -20.970 0.000) 21.035 7.038 ( -0.363 18.776 0.000) 18.779 7.173 ( 8.108 10.354 0.000) 13.151 7.275 ( 3.575 -9.730 0.000) 10.367 7.514 ( 4.237 -19.780 0.000) 20.229 7.816 ( -2.687 13.360 0.000) 13.627 8.056 ( -7.129 -9.771 0.000) 12.095 8.510 ( 6.115 6.749 0.000) 9.108 8.678 ( 4.714 -9.708 0.000) 10.792 9.223 ( 2.070 23.344 0.000) 23.436 9.635 ( -1.835 -17.029 0.000) 17.128 10.685 ( -10.631 11.283 0.000) 15.502 10.841 ( -8.338 -5.665 0.000) 10.080 11.049 ( 3.408 10.424 0.000) 10.967 11.312 ( -1.841 -16.054 0.000) 16.160 12.399 ( -10.579 12.752 0.000) 16.569 12.661 ( -6.941 -13.240 0.000) 14.949 13.012 ( 14.126 4.847 0.000) 14.934 13.098 ( 10.191 -3.940 0.000) 10.926 14.619 ( -1.848 4.393 0.000) 4.766 14.714 ( -2.643 -5.057 0.000) 5.706======================= Grid point 46 (27/180) =======================q-point: ( 0.18 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( -4.109 22.857 0.000) 23.223 2.182 ( 8.860 13.102 0.000) 15.817 2.659 ( -1.759 -13.760 0.000) 13.872 2.780 ( 7.632 -19.618 0.000) 21.051 3.854 ( 1.282 23.883 0.000) 23.917 3.930 ( 8.657 8.075 0.000) 11.838 4.103 ( 9.347 -7.135 0.000) 11.759 4.308 ( -7.719 -16.086 0.000) 17.842 4.546 ( -10.281 4.595 0.000) 11.262 4.712 ( -14.338 -6.150 0.000) 15.602 4.772 ( 0.215 21.774 0.000) 21.775 5.229 ( -4.012 -21.828 0.000) 22.194 5.677 ( -5.719 7.568 0.000) 9.486 5.773 ( -3.014 -3.038 0.000) 4.279 6.069 ( 4.129 14.027 0.000) 14.622 6.367 ( -3.826 -15.942 0.000) 16.395 7.022 ( -1.711 18.826 0.000) 18.903 7.320 ( -0.414 -12.185 0.000) 12.192 7.364 ( 10.579 10.429 0.000) 14.856 7.633 ( 7.649 -15.877 0.000) 17.623 7.777 ( -0.355 10.447 0.000) 10.453 7.939 ( -3.775 -5.015 0.000) 6.277 8.610 ( 3.518 7.073 0.000) 7.899 8.778 ( 4.686 -9.715 0.000) 10.786 9.286 ( 4.432 17.439 0.000) 17.993 9.584 ( -3.159 -11.704 0.000) 12.122 10.468 ( -11.347 12.865 0.000) 17.154 10.651 ( -10.691 -5.553 0.000) 12.047 11.045 ( -3.928 3.889 0.000) 5.527 11.201 ( -9.210 -12.167 0.000) 15.259 12.287 ( -0.388 17.071 0.000) 17.076 12.635 ( 3.923 -18.150 0.000) 18.569 13.244 ( 4.720 2.265 0.000) 5.235 13.255 ( 10.466 0.981 0.000) 10.512 14.573 ( -2.650 2.190 0.000) 3.438 14.645 ( -4.198 -4.821 0.000) 6.393======================= Grid point 47 (28/180) =======================q-point: ( 0.27 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( -2.283 20.691 0.000) 20.816 2.291 ( 0.794 -6.499 0.000) 6.547 2.685 ( 5.677 2.145 0.000) 6.069 2.946 ( 8.743 -17.734 0.000) 19.772 3.809 ( -5.136 16.429 0.000) 17.213 4.041 ( -2.523 5.004 0.000) 5.604 4.169 ( -3.008 -8.277 0.000) 8.806 4.241 ( 1.125 -6.981 0.000) 7.071 4.379 ( -4.364 3.266 0.000) 5.451 4.490 ( -4.490 -2.045 0.000) 4.934 4.854 ( 7.343 13.463 0.000) 15.335 5.183 ( -0.883 -17.035 0.000) 17.057 5.533 ( -8.522 9.113 0.000) 12.476 5.677 ( -6.825 -5.561 0.000) 8.804 6.142 ( 3.180 6.327 0.000) 7.081 6.289 ( -3.796 -9.110 0.000) 9.869 6.967 ( -3.746 17.140 0.000) 17.545 7.246 ( -6.558 -11.584 0.000) 13.311 7.540 ( 6.770 10.076 0.000) 12.139 7.756 ( 3.546 -11.112 0.000) 11.664 7.833 ( 6.328 8.502 0.000) 10.599 7.947 ( 4.839 -2.323 0.000) 5.368 8.639 ( -0.369 8.723 0.000) 8.731 8.830 ( -0.026 -10.205 0.000) 10.205 9.394 ( 6.621 9.304 0.000) 11.419 9.535 ( -1.121 -4.656 0.000) 4.789 10.259 ( -9.949 11.527 0.000) 15.227 10.436 ( -11.327 -5.712 0.000) 12.686 10.925 ( -7.424 0.265 0.000) 7.429 11.002 ( -10.033 -7.734 0.000) 12.668 12.367 ( 7.660 20.220 0.000) 21.622 12.770 ( 8.695 -20.361 0.000) 22.139 13.284 ( -0.275 7.725 0.000) 7.730 13.409 ( 5.201 -4.401 0.000) 6.813 14.524 ( -2.309 -0.212 0.000) 2.319 14.562 ( -4.051 -4.022 0.000) 5.708======================= Grid point 48 (29/180) =======================q-point: ( 0.36 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 1.224 11.717 0.000) 11.780 2.230 ( -5.670 -15.529 0.000) 16.532 2.852 ( 9.858 10.902 0.000) 14.698 3.090 ( 5.277 -10.997 0.000) 12.198 3.707 ( -4.021 8.208 0.000) 9.140 3.895 ( -8.290 -3.983 0.000) 9.197 4.078 ( -6.607 -5.339 0.000) 8.494 4.118 ( -8.631 -4.526 0.000) 9.746 4.451 ( 8.205 9.572 0.000) 12.608 4.564 ( 6.665 0.870 0.000) 6.721 5.010 ( 7.680 5.322 0.000) 9.344 5.181 ( 0.210 -9.955 0.000) 9.958 5.372 ( -7.252 7.298 0.000) 10.288 5.519 ( -8.916 -7.382 0.000) 11.575 6.189 ( 1.655 0.827 0.000) 1.850 6.230 ( -2.153 -3.683 0.000) 4.267 6.895 ( -3.024 13.152 0.000) 13.495 7.096 ( -8.218 -7.531 0.000) 11.147 7.639 ( 4.228 8.241 0.000) 9.262 7.785 ( 0.176 -5.856 0.000) 5.859 7.985 ( 7.954 7.174 0.000) 10.711 8.066 ( 5.685 -0.416 0.000) 5.701 8.613 ( -1.629 7.557 0.000) 7.730 8.772 ( -5.258 -7.766 0.000) 9.379 9.539 ( 8.094 3.098 0.000) 8.667 9.564 ( 4.095 -0.105 0.000) 4.097 10.083 ( -8.212 7.250 0.000) 10.954 10.216 ( -11.204 -5.533 0.000) 12.496 10.793 ( -5.472 0.155 0.000) 5.475 10.837 ( -6.733 -4.033 0.000) 7.848 12.550 ( 10.463 20.508 0.000) 23.023 12.921 ( 5.162 -13.016 0.000) 14.002 13.260 ( -0.860 5.277 0.000) 5.347 13.456 ( -0.285 -10.134 0.000) 10.138 14.487 ( -1.473 -1.626 0.000) 2.194 14.497 ( -2.474 -2.826 0.000) 3.756======================= Grid point 49 (30/180) =======================q-point: ( 0.45 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.000 ( 4.457 -0.213 0.000) 4.462 2.108 ( -6.341 -10.644 0.000) 12.389 3.027 ( 7.518 9.012 0.000) 11.736 3.124 ( -1.987 1.037 0.000) 2.241 3.685 ( 1.777 -2.987 0.000) 3.476 3.760 ( -5.542 -7.151 0.000) 9.047 3.980 ( -2.636 -2.366 0.000) 3.542 3.991 ( -3.827 -2.062 0.000) 4.347 4.598 ( 5.934 8.484 0.000) 10.353 4.650 ( 1.168 4.356 0.000) 4.510 5.125 ( 3.948 1.160 0.000) 4.115 5.174 ( -1.263 -3.422 0.000) 3.647 5.290 ( -0.229 0.594 0.000) 0.637 5.359 ( -6.679 -5.793 0.000) 8.841 6.205 ( 0.162 -1.218 0.000) 1.229 6.207 ( -0.368 -1.464 0.000) 1.509 6.875 ( 1.408 6.311 0.000) 6.466 6.951 ( -6.165 -1.537 0.000) 6.353 7.715 ( 3.522 5.032 0.000) 6.142 7.769 ( -1.859 -0.085 0.000) 1.860 8.107 ( 4.112 4.836 0.000) 6.348 8.136 ( 1.200 2.116 0.000) 2.432 8.602 ( 1.085 3.323 0.000) 3.496 8.664 ( -4.999 -2.408 0.000) 5.549 9.670 ( 5.656 2.220 0.000) 6.076 9.687 ( 5.601 1.634 0.000) 5.835 9.950 ( -4.045 0.520 0.000) 4.078 10.013 ( -8.988 -4.836 0.000) 10.206 10.727 ( -1.257 0.451 0.000) 1.335 10.744 ( -2.906 -1.075 0.000) 3.098 12.753 ( 9.977 17.891 0.000) 20.484 12.914 ( -5.615 8.711 0.000) 10.364 13.304 ( 5.035 -10.879 0.000) 11.988 13.406 ( -4.502 -13.963 0.000) 14.671 14.467 ( -0.560 -1.950 0.000) 2.029 14.467 ( -0.675 -2.068 0.000) 2.175======================= Grid point 99 (31/180) =======================q-point: ( 0.00 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.484 ( 0.000 0.000 24.907) 24.907 0.556 ( 0.000 0.000 28.501) 28.501 1.077 ( 0.000 0.000 54.212) 54.212 3.305 ( 0.000 0.000 -2.518) 2.518 3.545 ( 0.000 0.000 6.061) 6.061 3.848 ( 0.000 0.000 4.027) 4.027 3.872 ( 0.000 0.000 0.741) 0.741 4.020 ( 0.000 0.000 -5.400) 5.400 4.367 ( 0.000 0.000 -2.793) 2.793 4.570 ( 0.000 0.000 -26.201) 26.201 4.670 ( 0.000 0.000 -14.065) 14.065 5.482 ( 0.000 0.000 -11.230) 11.230 5.537 ( 0.000 0.000 1.291) 1.291 5.591 ( 0.000 0.000 2.803) 2.803 6.095 ( 0.000 0.000 11.329) 11.329 6.180 ( 0.000 0.000 23.002) 23.002 6.379 ( 0.000 0.000 10.973) 10.973 7.189 ( 0.000 0.000 5.336) 5.336 7.637 ( 0.000 0.000 -0.544) 0.544 7.806 ( 0.000 0.000 1.685) 1.685 7.948 ( 0.000 0.000 -2.524) 2.524 8.224 ( 0.000 0.000 -3.475) 3.475 8.391 ( 0.000 0.000 -13.589) 13.589 8.792 ( 0.000 0.000 -17.337) 17.337 9.084 ( 0.000 0.000 -23.849) 23.849 9.838 ( 0.000 0.000 13.124) 13.124 9.966 ( 0.000 0.000 1.637) 1.637 10.217 ( 0.000 0.000 17.284) 17.284 11.554 ( 0.000 0.000 2.757) 2.757 12.294 ( 0.000 0.000 -2.639) 2.639 12.321 ( 0.000 0.000 -7.855) 7.855 12.546 ( 0.000 0.000 -2.090) 2.090 12.976 ( 0.000 0.000 5.492) 5.492 13.683 ( 0.000 0.000 8.017) 8.017 14.274 ( 0.000 0.000 -2.472) 2.472 14.939 ( 0.000 0.000 -2.385) 2.385======================= Grid point 100 (32/180) =======================q-point: ( 0.09 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( 14.248 0.000 17.037) 22.209 0.766 ( 23.624 0.000 15.780) 28.409 1.508 ( 34.024 0.000 39.789) 52.353 3.301 ( 0.247 0.000 -2.825) 2.836 3.524 ( -2.099 0.000 4.617) 5.072 3.602 ( -6.855 0.000 8.857) 11.200 3.800 ( -4.235 0.000 2.646) 4.994 4.086 ( 5.691 0.000 -3.614) 6.742 4.558 ( -0.807 0.000 -23.680) 23.693 4.571 ( -0.320 0.000 -15.879) 15.882 5.183 ( 34.556 0.000 -34.294) 48.685 5.336 ( -10.191 0.000 -7.293) 12.532 5.530 ( 0.156 0.000 -0.181) 0.239 5.705 ( 7.178 0.000 -3.556) 8.011 6.130 ( -4.212 0.000 22.924) 23.308 6.166 ( 6.135 0.000 11.743) 13.249 6.302 ( -7.421 0.000 10.202) 12.615 7.119 ( -6.335 0.000 2.724) 6.896 7.457 ( -3.870 0.000 13.539) 14.081 7.633 ( -12.020 0.000 0.421) 12.027 8.156 ( 8.157 0.000 3.863) 9.025 8.206 ( -5.039 0.000 -4.471) 6.736 8.339 ( -1.532 0.000 -12.535) 12.628 8.991 ( 6.680 0.000 -7.121) 9.764 9.128 ( 3.912 0.000 -21.374) 21.729 9.791 ( -1.610 0.000 4.566) 4.841 9.965 ( -0.079 0.000 1.679) 1.681 10.222 ( 0.621 0.000 16.142) 16.154 10.880 ( -30.948 0.000 25.223) 39.924 11.940 ( -18.481 0.000 -5.978) 19.424 12.560 ( -1.888 0.000 0.782) 2.043 12.650 ( 7.842 0.000 -4.744) 9.165 12.806 ( -6.768 0.000 6.226) 9.196 13.807 ( 9.832 0.000 6.992) 12.065 14.549 ( 11.814 0.000 -18.875) 22.267 14.975 ( 2.313 0.000 -1.781) 2.919======================= Grid point 101 (33/180) =======================q-point: ( 0.18 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.035 ( 25.484 0.000 0.642) 25.492 1.276 ( 27.606 0.000 9.399) 29.162 2.218 ( 37.285 0.000 25.907) 45.402 3.316 ( 0.763 0.000 -3.066) 3.159 3.467 ( -3.700 0.000 1.910) 4.164 3.554 ( 0.062 0.000 3.214) 3.215 3.712 ( -4.243 0.000 2.368) 4.859 4.178 ( 1.698 0.000 -4.457) 4.769 4.552 ( -0.490 0.000 -12.232) 12.242 4.578 ( 4.295 0.000 -15.648) 16.227 5.130 ( -10.598 0.000 -10.270) 14.758 5.439 ( -1.715 0.000 -2.986) 3.444 5.765 ( 19.747 0.000 -27.378) 33.756 5.827 ( 4.388 0.000 -1.688) 4.701 6.019 ( -5.742 0.000 16.078) 17.073 6.124 ( -9.614 0.000 7.647) 12.285 6.326 ( 9.407 0.000 13.747) 16.658 7.026 ( -3.540 0.000 -2.832) 4.533 7.338 ( -15.369 0.000 1.502) 15.442 7.507 ( 4.612 0.000 19.148) 19.695 7.997 ( -14.014 0.000 -7.630) 15.956 8.259 ( 2.858 0.000 10.836) 11.206 8.393 ( 5.300 0.000 -6.773) 8.600 8.870 ( -14.042 0.000 17.231) 22.228 9.210 ( 3.969 0.000 -16.593) 17.061 9.781 ( -3.989 0.000 -4.364) 5.912 9.964 ( 0.024 0.000 1.063) 1.063 10.248 ( 2.198 0.000 13.432) 13.611 10.666 ( 5.520 0.000 0.822) 5.580 11.592 ( -17.298 0.000 -7.103) 18.699 12.324 ( -23.789 0.000 4.710) 24.251 12.482 ( -5.830 0.000 1.073) 5.928 13.078 ( 18.156 0.000 -2.036) 18.270 13.989 ( 8.082 0.000 5.618) 9.842 14.684 ( 4.233 0.000 -14.880) 15.470 14.995 ( -0.221 0.000 0.029) 0.223======================= Grid point 102 (34/180) =======================q-point: ( 0.27 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 25.740 0.000 -3.421) 25.966 1.812 ( 27.259 0.000 6.169) 27.948 2.898 ( 31.010 0.000 12.928) 33.597 3.298 ( -3.114 0.000 -1.533) 3.471 3.383 ( -4.823 0.000 -0.175) 4.826 3.585 ( 3.222 0.000 -1.744) 3.664 3.646 ( -2.533 0.000 2.647) 3.663 4.124 ( -6.452 0.000 -4.041) 7.613 4.587 ( 4.977 0.000 -5.212) 7.206 4.729 ( 9.612 0.000 -7.949) 12.473 4.944 ( -8.001 0.000 -14.454) 16.521 5.388 ( -2.470 0.000 -1.769) 3.038 5.803 ( -5.492 0.000 15.428) 16.377 5.865 ( -10.268 0.000 6.428) 12.114 5.989 ( 1.651 0.000 -5.966) 6.190 6.184 ( 16.713 0.000 -23.230) 28.617 6.517 ( 10.210 0.000 13.849) 17.206 6.855 ( -17.276 0.000 -3.479) 17.622 7.119 ( -3.956 0.000 -0.136) 3.958 7.625 ( 6.535 0.000 20.219) 21.249 7.710 ( -15.022 0.000 -4.285) 15.621 8.260 ( -3.537 0.000 26.074) 26.313 8.517 ( 7.336 0.000 -4.222) 8.464 8.620 ( -8.841 0.000 6.172) 10.782 9.262 ( 0.820 0.000 -10.469) 10.501 9.600 ( -13.183 0.000 0.532) 13.194 9.978 ( 1.975 0.000 -2.171) 2.935 10.314 ( 4.652 0.000 10.631) 11.605 10.923 ( 17.452 0.000 -10.055) 20.142 11.267 ( -16.191 0.000 -8.184) 18.142 11.847 ( -24.576 0.000 5.277) 25.136 12.340 ( -8.723 0.000 -0.645) 8.747 13.414 ( 16.249 0.000 -1.674) 16.335 14.106 ( 3.776 0.000 4.263) 5.694 14.751 ( 2.950 0.000 -11.087) 11.473 14.976 ( -1.557 0.000 0.183) 1.568======================= Grid point 103 (35/180) =======================q-point: ( 0.36 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( 23.802 0.000 -4.058) 24.146 2.321 ( 24.792 0.000 3.784) 25.079 3.106 ( -10.278 0.000 -2.003) 10.471 3.276 ( -6.821 0.000 -1.110) 6.911 3.445 ( 17.996 0.000 0.340) 18.000 3.613 ( -0.540 0.000 2.627) 2.682 3.674 ( 5.338 0.000 -4.238) 6.816 3.961 ( -9.616 0.000 -0.357) 9.623 4.767 ( 13.562 0.000 4.803) 14.387 4.831 ( -2.022 0.000 -10.153) 10.353 4.889 ( 4.112 0.000 -9.396) 10.257 5.374 ( 1.660 0.000 -2.350) 2.877 5.642 ( -11.524 0.000 7.708) 13.864 5.728 ( -0.624 0.000 10.093) 10.112 5.995 ( -1.708 0.000 -7.692) 7.879 6.380 ( -15.475 0.000 -5.737) 16.504 6.571 ( 7.946 0.000 -14.358) 16.410 6.720 ( 10.710 0.000 12.266) 16.283 7.083 ( -1.847 0.000 -7.826) 8.041 7.427 ( -13.975 0.000 0.865) 14.001 7.741 ( 5.250 0.000 22.365) 22.973 8.119 ( -9.371 0.000 34.309) 35.566 8.579 ( 3.910 0.000 -2.421) 4.599 8.678 ( 9.248 0.000 -1.948) 9.451 9.223 ( -5.004 0.000 -3.953) 6.377 9.310 ( -15.979 0.000 1.542) 16.053 10.061 ( 6.836 0.000 -7.176) 9.911 10.419 ( 5.443 0.000 7.447) 9.224 10.972 ( -13.443 0.000 -8.247) 15.771 11.274 ( 17.990 0.000 -10.148) 20.655 11.397 ( -21.218 0.000 5.567) 21.936 12.145 ( -11.348 0.000 -2.987) 11.734 13.702 ( 13.248 0.000 -0.828) 13.274 14.133 ( -0.920 0.000 2.888) 3.031 14.804 ( 2.594 0.000 -7.974) 8.385 14.940 ( -2.063 0.000 -1.015) 2.299======================= Grid point 104 (36/180) =======================q-point: ( 0.45 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.457 ( 20.982 0.000 -3.837) 21.330 2.761 ( 20.134 0.000 1.528) 20.192 2.829 ( -17.132 0.000 -3.234) 17.435 3.087 ( -13.195 0.000 -0.455) 13.203 3.646 ( 4.268 0.000 2.265) 4.832 3.685 ( 7.238 0.000 -6.156) 9.502 3.747 ( 0.805 0.000 -6.105) 6.158 3.776 ( -8.732 0.000 1.529) 8.865 4.837 ( 2.540 0.000 -8.862) 9.219 4.899 ( -2.608 0.000 -5.932) 6.480 5.074 ( 16.227 0.000 10.060) 19.092 5.346 ( -10.737 0.000 6.092) 12.345 5.574 ( 11.486 0.000 1.012) 11.531 5.791 ( 6.182 0.000 0.785) 6.232 5.919 ( -5.882 0.000 -5.052) 7.754 5.940 ( -23.221 0.000 1.226) 23.253 6.825 ( 12.280 0.000 -17.519) 21.394 6.935 ( 11.505 0.000 9.510) 14.926 7.008 ( -6.416 0.000 -13.589) 15.028 7.169 ( -12.637 0.000 5.730) 13.875 7.834 ( 4.814 0.000 26.308) 26.745 7.950 ( -7.426 0.000 30.630) 31.517 8.735 ( 11.473 0.000 -0.080) 11.474 8.874 ( 10.688 0.000 -0.343) 10.693 9.001 ( -15.361 0.000 1.264) 15.413 9.076 ( -9.605 0.000 -0.537) 9.620 10.238 ( 10.963 0.000 -9.144) 14.276 10.436 ( -6.527 0.000 -3.491) 7.402 10.841 ( 3.113 0.000 0.313) 3.129 11.041 ( -15.165 0.000 5.317) 16.070 11.608 ( 16.197 0.000 -8.048) 18.086 11.900 ( -13.854 0.000 -5.529) 14.916 13.924 ( 9.597 0.000 0.268) 9.601 14.071 ( -5.449 0.000 1.533) 5.660 14.853 ( 2.406 0.000 -5.269) 5.792 14.898 ( -2.265 0.000 -2.927) 3.701======================= Grid point 110 (37/180) =======================q-point: ( 0.00 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.737 ( 0.000 18.266 19.146) 26.462 0.822 ( 0.000 22.502 19.646) 29.871 1.454 ( 0.000 34.592 37.253) 50.837 3.423 ( 0.000 8.267 -2.183) 8.550 3.521 ( 0.000 -1.467 7.304) 7.450 3.727 ( 0.000 -1.967 12.535) 12.689 3.828 ( 0.000 -15.732 -4.486) 16.360 3.868 ( 0.000 5.371 0.898) 5.445 4.260 ( 0.000 -14.468 -18.470) 23.462 4.593 ( 0.000 15.797 -2.363) 15.973 4.953 ( 0.000 14.484 -21.636) 26.036 5.472 ( 0.000 -0.985 -10.929) 10.973 5.540 ( 0.000 1.554 0.020) 1.554 5.989 ( 0.000 -10.746 13.283) 17.086 6.129 ( 0.000 29.346 -24.556) 38.265 6.155 ( 0.000 -0.541 14.000) 14.011 6.434 ( 0.000 3.953 16.726) 17.187 7.180 ( 0.000 0.205 6.865) 6.868 7.549 ( 0.000 -5.446 5.454) 7.707 7.774 ( 0.000 0.247 4.501) 4.508 7.869 ( 0.000 -7.611 -2.278) 7.945 8.338 ( 0.000 -4.239 -8.199) 9.230 8.410 ( 0.000 8.854 0.349) 8.861 8.682 ( 0.000 -9.361 -18.290) 20.546 9.140 ( 0.000 2.993 -16.920) 17.182 9.810 ( 0.000 -1.290 9.510) 9.597 10.064 ( 0.000 9.810 -9.528) 13.675 10.300 ( 0.000 7.249 15.393) 17.015 11.495 ( 0.000 -5.893 3.022) 6.623 12.223 ( 0.000 -5.160 -5.386) 7.459 12.311 ( 0.000 -17.034 2.147) 17.169 12.344 ( 0.000 2.156 -9.064) 9.317 12.980 ( 0.000 3.884 14.342) 14.859 13.640 ( 0.000 -4.362 8.857) 9.873 14.356 ( 0.000 4.606 -4.435) 6.394 14.924 ( 0.000 -1.490 -2.344) 2.778======================= Grid point 111 (38/180) =======================q-point: ( 0.09 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.733 ( 2.977 16.612 18.362) 24.940 0.932 ( 16.718 13.333 16.623) 27.085 1.840 ( 30.602 29.066 27.808) 50.544 3.401 ( -1.187 6.796 -2.005) 7.185 3.494 ( -1.722 1.164 4.832) 5.260 3.671 ( -2.334 3.221 8.238) 9.148 3.809 ( -5.682 3.995 0.531) 6.966 3.927 ( 7.424 -18.221 -5.678) 20.479 4.315 ( 2.553 -4.170 -17.103) 17.788 4.862 ( 10.252 -4.080 -6.259) 12.686 4.950 ( 9.271 12.780 -19.561) 25.138 5.364 ( -8.012 -2.090 -8.960) 12.200 5.557 ( 0.466 2.618 -1.660) 3.134 5.987 ( 1.385 -3.983 4.845) 6.423 6.037 ( -5.358 2.988 8.467) 10.456 6.292 ( 5.911 14.855 -5.110) 16.785 6.364 ( -4.621 5.310 10.408) 12.565 7.151 ( -2.612 2.901 4.323) 5.825 7.482 ( -4.052 -1.240 6.073) 7.405 7.596 ( -9.449 -0.480 6.207) 11.316 8.071 ( 10.184 -5.500 4.417) 12.389 8.231 ( -9.570 -1.756 -6.924) 11.942 8.406 ( 1.101 7.171 -3.712) 8.150 8.786 ( 5.221 -14.247 -8.732) 17.507 9.136 ( -0.073 -0.020 -14.868) 14.868 9.761 ( -4.786 -1.865 8.009) 9.515 10.128 ( 5.272 8.242 -6.751) 11.887 10.321 ( 2.550 11.830 9.556) 15.420 10.996 ( -29.101 7.715 14.549) 33.438 11.917 ( -18.215 -2.514 -8.304) 20.176 12.357 ( -3.791 -14.139 2.719) 14.889 12.649 ( 14.827 -0.403 -7.592) 16.662 12.954 ( -3.569 9.648 7.943) 12.997 13.666 ( 7.042 -11.207 8.834) 15.913 14.524 ( 10.011 -1.570 -9.935) 14.191 14.936 ( 0.755 -3.094 -1.355) 3.461======================= Grid point 112 (39/180) =======================q-point: ( 0.18 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( 23.014 1.213 4.760) 23.532 1.331 ( 23.021 7.040 11.999) 26.898 2.473 ( 32.816 21.838 18.093) 43.372 3.385 ( -1.362 6.778 -2.688) 7.417 3.466 ( -0.656 -0.817 3.011) 3.188 3.639 ( -3.185 8.106 -0.802) 8.746 3.683 ( -4.621 -2.493 3.533) 6.329 4.092 ( 9.094 -16.642 -3.891) 19.360 4.342 ( -0.007 4.549 -14.161) 14.874 4.814 ( -4.276 2.972 -7.912) 9.472 5.098 ( -6.354 1.129 -12.451) 14.024 5.381 ( 8.405 -6.916 -8.650) 13.903 5.591 ( 6.564 -0.386 -4.217) 7.811 5.910 ( -7.574 -2.354 11.803) 14.221 6.060 ( 5.795 -1.279 1.308) 6.077 6.162 ( -10.442 3.758 13.566) 17.527 6.484 ( 9.044 15.134 -10.315) 20.426 7.099 ( -3.576 5.784 -2.411) 7.215 7.286 ( -13.371 -4.700 3.861) 14.689 7.574 ( 4.714 6.444 16.154) 18.019 7.968 ( -14.455 -2.697 -3.387) 15.090 8.244 ( 4.779 -1.278 8.856) 10.144 8.469 ( 5.608 7.395 -4.489) 10.309 8.749 ( -8.181 -9.861 8.484) 15.366 9.186 ( 4.985 -2.608 -19.297) 20.101 9.634 ( -8.146 -5.585 5.625) 11.366 10.209 ( 3.126 0.615 6.395) 7.145 10.324 ( -6.322 20.422 3.692) 21.695 10.739 ( 4.940 5.960 -0.397) 7.751 11.572 ( -17.058 -2.194 -9.763) 19.776 12.139 ( -17.185 -11.256 6.290) 21.485 12.661 ( -8.751 10.601 -1.189) 13.798 13.107 ( 16.215 3.177 -0.582) 16.533 13.851 ( 9.671 -13.138 5.395) 17.183 14.656 ( 4.278 -2.560 -10.251) 11.399 14.939 ( -0.585 -4.868 -0.114) 4.904======================= Grid point 113 (40/180) =======================q-point: ( 0.27 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( 26.538 -2.991 -2.791) 26.851 1.796 ( 24.447 1.561 9.525) 26.284 3.046 ( 22.640 11.186 6.693) 26.124 3.328 ( -2.159 4.826 -1.204) 5.422 3.463 ( -2.753 7.019 0.317) 7.546 3.527 ( -2.855 -5.219 0.823) 6.006 3.685 ( 2.291 3.264 -0.744) 4.057 4.194 ( -3.608 1.701 -3.204) 5.116 4.371 ( 7.943 -7.387 -7.256) 13.050 4.750 ( -2.744 -6.668 -4.999) 8.774 4.988 ( -2.727 4.942 -10.513) 11.932 5.408 ( -1.717 -0.320 -0.760) 1.905 5.750 ( -7.591 -4.022 6.148) 10.564 5.803 ( 8.244 -5.281 -8.194) 12.767 5.958 ( -9.131 4.178 9.279) 13.672 6.222 ( 10.792 -2.633 2.491) 11.385 6.661 ( 8.416 12.642 -9.032) 17.670 6.888 ( -16.529 2.444 -0.568) 16.718 7.149 ( -1.642 3.574 -1.009) 4.061 7.675 ( -13.760 -1.332 1.773) 13.937 7.691 ( 5.155 4.859 14.811) 16.418 8.266 ( -2.661 0.390 23.916) 24.066 8.565 ( -4.999 -0.804 -0.256) 5.069 8.632 ( 7.482 7.021 -0.647) 10.281 9.266 ( 0.933 0.089 -13.659) 13.691 9.456 ( -8.749 -9.814 1.974) 13.295 10.171 ( -6.701 13.694 3.304) 15.600 10.277 ( 4.222 -2.513 9.201) 10.430 10.968 ( 12.163 2.797 -7.800) 14.718 11.273 ( -11.756 1.126 -12.235) 17.005 11.756 ( -20.763 -6.443 7.082) 22.865 12.472 ( -10.399 11.120 -1.478) 15.297 13.423 ( 15.508 0.849 -1.503) 15.604 14.003 ( 5.649 -10.378 3.759) 12.399 14.716 ( 2.316 -3.277 -8.628) 9.515 14.915 ( -1.735 -5.677 -0.133) 5.937======================= Grid point 114 (41/180) =======================q-point: ( 0.36 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 24.235 -2.100 -5.265) 24.889 2.267 ( 23.817 -3.061 7.471) 25.148 3.073 ( -10.843 -2.127 -3.429) 11.569 3.317 ( -10.082 1.064 1.261) 10.216 3.508 ( 7.859 1.079 -1.150) 8.016 3.598 ( 10.655 7.137 0.310) 12.828 3.751 ( 3.956 4.784 -5.142) 8.061 4.029 ( -10.291 6.084 -0.534) 11.966 4.590 ( 11.373 -10.748 -5.385) 16.549 4.705 ( -0.931 -11.033 -5.918) 12.554 4.992 ( 2.451 4.082 1.673) 5.047 5.396 ( 0.729 -0.520 -1.519) 1.764 5.590 ( -7.611 -4.178 7.447) 11.439 5.797 ( -3.726 6.375 -0.296) 7.390 5.916 ( 0.471 -4.236 -4.533) 6.223 6.434 ( -2.825 1.924 0.138) 3.420 6.530 ( -2.576 -1.317 6.041) 6.698 6.871 ( 9.045 12.831 -11.692) 19.574 7.120 ( -2.418 3.247 -7.138) 8.206 7.402 ( -12.728 -1.891 2.705) 13.149 7.806 ( 5.291 6.004 20.439) 21.949 8.152 ( -7.785 3.261 31.499) 32.610 8.524 ( 2.036 -2.556 -3.129) 4.524 8.829 ( 11.217 11.912 -1.223) 16.408 9.120 ( -13.231 -5.930 0.971) 14.532 9.374 ( -2.825 1.739 -6.504) 7.301 10.108 ( 0.863 4.891 -2.681) 5.643 10.367 ( 4.242 -4.791 7.158) 9.602 10.919 ( -10.700 -4.527 -7.521) 13.840 11.273 ( -6.541 -3.884 -0.998) 7.672 11.459 ( 3.002 9.625 -3.344) 10.622 12.255 ( -12.083 10.160 -3.388) 16.146 13.696 ( 12.510 -0.610 -0.838) 12.553 14.065 ( 0.686 -7.138 2.660) 7.649 14.756 ( 1.894 -4.631 -6.792) 8.436 14.876 ( -2.164 -6.137 -1.200) 6.617======================= Grid point 115 (42/180) =======================q-point: ( 0.45 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.445 ( 20.394 -1.609 -5.276) 21.127 2.700 ( 18.387 -5.952 4.519) 19.848 2.812 ( -13.673 -0.874 -4.044) 14.285 3.069 ( -15.693 -3.092 2.956) 16.265 3.615 ( 5.948 0.217 -1.358) 6.105 3.735 ( -3.311 3.430 -6.174) 7.800 3.809 ( 4.480 7.169 -4.006) 9.355 3.881 ( -3.392 8.095 -0.882) 8.821 4.699 ( 2.333 -11.305 -9.618) 15.025 4.733 ( 0.227 -13.537 -4.497) 14.266 5.115 ( 10.277 0.924 9.932) 14.322 5.320 ( -9.443 -2.668 4.054) 10.617 5.588 ( 8.089 -2.713 2.040) 8.772 5.749 ( -4.766 -3.260 -5.580) 8.030 5.918 ( 3.290 6.928 1.371) 7.791 6.112 ( -15.852 11.988 3.464) 20.175 6.762 ( 13.297 -4.730 -0.484) 14.122 6.977 ( -5.646 1.099 -11.151) 12.547 7.074 ( 4.184 6.679 -4.428) 9.040 7.203 ( -7.720 3.820 -0.737) 8.645 7.900 ( 4.770 6.247 24.689) 25.910 8.008 ( -6.604 5.753 28.582) 29.894 8.632 ( 8.804 -5.162 -0.011) 10.206 8.851 ( -13.154 -7.129 1.647) 15.052 9.056 ( 11.516 12.742 -0.562) 17.184 9.260 ( -8.815 10.145 -2.142) 13.610 10.204 ( 8.220 -2.776 -7.114) 11.220 10.366 ( -5.933 -6.347 -2.753) 9.114 10.820 ( 3.148 -2.018 0.475) 3.769 11.001 ( -13.591 -3.524 5.543) 15.095 11.716 ( 15.328 10.264 -7.992) 20.104 12.002 ( -13.949 9.727 -5.710) 17.939 13.903 ( 8.701 -2.242 0.252) 8.989 14.030 ( -4.247 -4.351 1.490) 6.261 14.793 ( 1.995 -5.766 -4.824) 7.778 14.834 ( -2.166 -6.241 -2.871) 7.203======================= Grid point 121 (43/180) =======================q-point: ( 0.00 0.22 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.118 ( 0.000 20.634 13.502) 24.659 1.309 ( 0.000 25.868 12.930) 28.920 2.239 ( 0.000 42.511 20.165) 47.051 3.344 ( 0.000 -8.965 4.286) 9.937 3.459 ( 0.000 -21.316 -5.461) 22.004 3.678 ( 0.000 -0.734 9.801) 9.828 3.824 ( 0.000 22.468 -0.959) 22.488 4.026 ( 0.000 -9.461 -11.908) 15.209 4.120 ( 0.000 17.298 0.062) 17.298 4.953 ( 0.000 19.757 -5.474) 20.501 5.141 ( 0.000 3.574 -17.378) 17.742 5.433 ( 0.000 -4.046 -5.946) 7.192 5.580 ( 0.000 2.312 -1.318) 2.661 5.746 ( 0.000 -11.961 6.602) 13.662 6.131 ( 0.000 -2.980 7.315) 7.898 6.533 ( 0.000 7.382 19.855) 21.183 6.557 ( 0.000 15.451 -20.662) 25.800 7.212 ( 0.000 1.438 9.559) 9.667 7.391 ( 0.000 -8.945 -2.100) 9.188 7.679 ( 0.000 -11.013 -0.880) 11.048 7.871 ( 0.000 5.215 4.302) 6.761 8.252 ( 0.000 0.012 1.361) 1.362 8.465 ( 0.000 -12.485 -18.174) 22.049 8.550 ( 0.000 6.660 6.652) 9.413 9.131 ( 0.000 -4.197 -1.921) 4.616 9.831 ( 0.000 2.949 -0.058) 2.950 10.315 ( 0.000 14.656 -12.484) 19.252 10.462 ( 0.000 8.749 10.246) 13.473 11.338 ( 0.000 -9.458 4.125) 10.318 11.978 ( 0.000 -16.689 -0.207) 16.690 12.153 ( 0.000 -2.138 -10.716) 10.928 12.393 ( 0.000 2.420 -12.870) 13.095 13.077 ( 0.000 4.828 15.630) 16.359 13.521 ( 0.000 -7.445 11.632) 13.811 14.435 ( 0.000 3.981 -2.725) 4.824 14.881 ( 0.000 -2.910 -2.233) 3.669======================= Grid point 122 (44/180) =======================q-point: ( 0.09 0.22 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( -4.710 26.315 12.714) 29.603 1.250 ( 10.004 19.111 12.771) 25.068 2.490 ( 21.391 35.126 16.042) 44.145 3.343 ( 0.169 -8.715 3.647) 9.449 3.488 ( 1.792 -20.970 -6.606) 22.059 3.672 ( 0.544 -0.228 7.626) 7.649 3.778 ( -3.235 19.473 -1.829) 19.825 4.043 ( -4.891 14.022 -1.862) 14.967 4.193 ( 11.579 -5.530 -9.625) 16.040 4.977 ( -2.261 11.198 -6.165) 12.981 5.159 ( 5.356 7.512 -12.882) 15.845 5.297 ( -10.659 -5.448 -5.048) 12.992 5.611 ( 1.407 2.638 -1.620) 3.401 5.780 ( 3.012 -10.176 7.019) 12.724 6.075 ( -4.830 -1.910 5.866) 7.836 6.445 ( -7.763 7.116 15.194) 18.486 6.627 ( 5.757 13.165 -18.879) 23.725 7.218 ( 0.559 2.903 7.341) 7.914 7.337 ( -6.433 -8.995 -0.256) 11.062 7.622 ( -0.751 -2.184 3.268) 4.002 8.026 ( 10.712 -2.264 2.841) 11.311 8.175 ( -7.455 2.664 4.890) 9.305 8.512 ( 3.980 -10.267 -16.211) 19.597 8.564 ( 1.539 4.863 5.960) 7.844 9.119 ( -0.591 -2.266 -5.107) 5.618 9.753 ( -7.239 1.659 0.330) 7.434 10.268 ( -3.011 7.224 2.049) 8.090 10.592 ( 10.597 13.675 -2.475) 17.477 11.074 ( -19.766 -0.007 6.547) 20.822 11.824 ( -16.585 -7.760 -12.982) 22.446 12.103 ( -1.151 -10.112 2.404) 10.457 12.649 ( 15.652 0.423 -12.147) 19.817 13.106 ( 2.494 4.837 11.994) 13.171 13.466 ( -1.894 -7.969 11.158) 13.841 14.509 ( 5.607 0.151 -3.293) 6.504 14.869 ( -1.217 -3.704 -2.000) 4.382======================= Grid point 123 (45/180) =======================q-point: ( 0.18 0.22 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( 8.310 17.158 9.795) 21.433 1.545 ( 18.049 14.184 8.813) 24.589 2.934 ( 21.997 23.218 8.488) 33.090 3.352 ( 0.426 -9.757 4.288) 10.666 3.481 ( -2.930 -10.438 -7.705) 13.301 3.667 ( -0.423 4.724 1.422) 4.952 3.774 ( 0.421 8.913 -2.682) 9.318 3.961 ( 0.553 9.652 3.891) 10.421 4.410 ( 8.845 -1.964 -14.212) 16.855 4.812 ( -12.744 1.946 -2.312) 13.097 5.098 ( -8.159 -5.452 -5.889) 11.445 5.328 ( 7.118 2.534 -4.868) 8.988 5.634 ( 2.376 2.780 -1.535) 3.966 5.818 ( -1.664 -5.914 4.700) 7.735 6.003 ( 0.415 -3.505 7.536) 8.322 6.276 ( -8.660 8.496 6.869) 13.941 6.747 ( 5.896 8.969 -16.147) 19.389 7.155 ( -10.236 -1.293 -1.526) 10.429 7.236 ( 0.650 2.618 5.721) 6.325 7.667 ( 3.408 -0.639 5.175) 6.229 7.971 ( -11.346 4.012 3.873) 12.642 8.212 ( 6.386 -0.267 13.860) 15.263 8.553 ( -1.087 -9.320 -2.880) 9.815 8.645 ( 8.048 9.002 -3.721) 12.635 9.142 ( 3.402 -0.936 -11.449) 11.980 9.572 ( -11.267 -1.066 1.371) 11.400 10.221 ( -1.643 1.794 9.898) 10.193 10.682 ( -12.879 12.563 4.632) 18.578 10.854 ( 8.283 5.656 -4.347) 10.932 11.503 ( -15.048 -4.561 -15.567) 22.127 11.960 ( -12.607 -6.388 7.693) 16.091 12.822 ( -0.337 5.572 -7.780) 9.575 13.202 ( 9.896 5.569 4.209) 12.110 13.543 ( 8.609 -15.914 7.422) 19.556 14.599 ( 3.226 -3.063 -3.743) 5.813 14.834 ( -2.338 -5.469 -1.654) 6.174======================= Grid point 124 (46/180) =======================q-point: ( 0.27 0.22 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 20.135 2.880 3.941) 20.718 1.916 ( 19.560 9.864 6.436) 22.832 3.210 ( 1.134 5.588 -1.553) 5.909 3.295 ( -5.394 -13.001 2.031) 14.221 3.520 ( 10.962 3.221 -1.588) 11.536 3.649 ( -2.998 10.071 -0.388) 10.515 3.764 ( 2.504 7.593 -7.091) 10.687 4.106 ( 10.477 0.698 6.443) 12.319 4.476 ( -5.006 7.673 -12.669) 15.635 4.571 ( -7.639 -9.660 -4.403) 13.079 5.001 ( -1.838 -4.235 1.254) 4.784 5.359 ( -1.929 -2.328 3.283) 4.463 5.660 ( -6.715 -6.004 -0.993) 9.063 5.761 ( 2.624 -0.503 -2.873) 3.924 6.112 ( 0.732 9.220 -1.633) 9.392 6.147 ( 4.181 -1.354 9.470) 10.440 6.778 ( -6.144 -1.517 3.077) 7.036 7.026 ( 0.847 12.112 -14.917) 19.234 7.249 ( 0.186 5.492 -1.458) 5.685 7.607 ( -11.564 -4.367 1.593) 12.463 7.865 ( 2.536 10.560 12.982) 16.926 8.272 ( 0.219 0.650 23.041) 23.051 8.509 ( -2.326 -3.111 -3.004) 4.910 8.848 ( 11.969 11.087 -4.232) 16.855 9.242 ( 6.104 -2.873 -11.601) 13.420 9.321 ( -14.077 -1.750 0.276) 14.188 10.212 ( 0.720 -2.143 12.773) 12.971 10.430 ( -11.262 9.890 3.832) 15.470 10.961 ( -2.632 -3.816 -5.901) 7.504 11.309 ( -3.720 0.971 -11.435) 12.064 11.704 ( -10.210 3.372 4.501) 11.657 12.706 ( -9.291 11.869 -3.986) 15.591 13.444 ( 13.009 0.997 -0.545) 13.059 13.722 ( 8.596 -17.017 4.216) 19.526 14.637 ( 0.936 -4.618 -3.825) 6.068 14.782 ( -2.951 -7.276 -1.693) 8.032======================= Grid point 125 (47/180) =======================q-point: ( 0.36 0.22 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( 23.022 -5.757 -0.157) 23.732 2.288 ( 18.358 4.935 5.374) 19.755 3.044 ( -12.423 -2.523 -4.984) 13.622 3.191 ( -8.389 -10.073 4.886) 13.989 3.618 ( 0.825 9.576 -1.399) 9.713 3.761 ( 9.744 -0.609 -6.130) 11.528 3.851 ( 5.831 10.712 -8.113) 14.648 4.161 ( -7.358 6.965 1.378) 10.225 4.413 ( 4.460 -6.754 0.603) 8.116 4.498 ( -2.950 -9.440 -13.238) 16.524 5.003 ( 1.857 -1.590 8.436) 8.783 5.338 ( -0.109 -3.738 -0.293) 3.751 5.496 ( -7.170 -5.626 3.806) 9.877 5.773 ( -3.547 -4.861 -4.350) 7.425 6.063 ( 0.880 12.715 -3.144) 13.127 6.390 ( 13.800 -2.648 7.246) 15.810 6.576 ( -11.448 3.238 11.181) 16.326 7.124 ( 6.299 11.067 -18.096) 22.127 7.204 ( -7.235 5.478 -9.400) 13.066 7.379 ( -8.062 -0.039 4.133) 9.059 7.949 ( 4.931 8.128 16.234) 18.813 8.239 ( -3.163 5.438 26.712) 27.443 8.496 ( 1.446 -0.434 -2.299) 2.750 9.024 ( -13.990 -3.019 3.853) 14.822 9.088 ( 10.862 11.221 -3.955) 16.110 9.365 ( 5.160 -0.403 -12.424) 13.459 10.219 ( -2.565 2.343 11.247) 11.772 10.269 ( -3.229 -1.582 0.089) 3.597 10.821 ( -7.431 -5.001 -6.606) 11.130 11.168 ( -12.370 -5.616 5.525) 14.666 11.720 ( 10.356 15.720 -8.314) 20.579 12.496 ( -12.044 13.682 -4.644) 18.810 13.673 ( 10.176 -2.106 -0.591) 10.408 13.853 ( 4.588 -14.097 2.733) 15.074 14.645 ( 0.154 -6.194 -3.851) 7.295 14.725 ( -2.810 -8.570 -2.217) 9.288======================= Grid point 126 (48/180) =======================q-point: ( 0.45 0.22 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.346 ( 20.294 -9.304 -2.682) 22.486 2.584 ( 6.473 -5.434 3.065) 8.990 2.807 ( -6.551 -0.203 -2.465) 7.002 2.974 ( -13.085 -3.600 5.507) 14.646 3.680 ( 5.209 5.462 -2.879) 8.078 3.794 ( -4.923 1.471 -6.853) 8.565 3.987 ( 5.862 9.799 -6.209) 12.998 4.051 ( -2.343 7.704 -2.819) 8.531 4.458 ( -0.756 -12.476 -8.858) 15.320 4.462 ( -0.288 -11.565 -2.064) 11.751 5.095 ( 7.384 -2.039 6.122) 9.806 5.253 ( -8.042 -3.696 -0.165) 8.852 5.496 ( 6.051 -5.305 2.217) 8.347 5.645 ( -8.258 -6.122 -1.998) 10.472 6.153 ( 7.655 12.526 3.700) 15.139 6.338 ( -10.891 9.489 9.894) 17.509 6.686 ( 14.631 -1.914 3.041) 15.066 6.969 ( -14.291 -0.096 -1.302) 14.350 7.232 ( 4.537 7.993 -14.918) 17.522 7.301 ( -2.744 5.638 -7.481) 9.761 8.051 ( 5.646 8.674 20.396) 22.872 8.159 ( -5.051 8.953 23.573) 25.717 8.573 ( 6.680 -0.932 1.604) 6.933 8.757 ( -12.075 -2.574 3.077) 12.724 9.295 ( 8.998 9.891 -4.358) 14.064 9.406 ( -1.755 4.573 -7.634) 9.070 10.173 ( 0.537 0.430 0.176) 0.710 10.228 ( -3.503 -6.677 0.377) 7.549 10.771 ( 3.248 -2.661 0.858) 4.286 10.924 ( -11.304 -4.023 6.154) 13.485 11.973 ( 14.174 15.266 -8.326) 22.434 12.246 ( -13.660 14.434 -6.412) 20.882 13.830 ( 5.812 -5.551 0.490) 8.052 13.893 ( -0.588 -9.787 1.696) 9.951 14.652 ( 0.743 -7.897 -3.652) 8.732 14.678 ( -1.947 -8.875 -3.011) 9.572======================= Grid point 132 (49/180) =======================q-point: ( 0.00 0.33 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 0.000 22.164 7.382) 23.361 1.801 ( 0.000 23.722 9.720) 25.636 3.021 ( 0.000 26.194 7.680) 27.297 3.023 ( 0.000 -22.581 -4.263) 22.979 3.128 ( 0.000 -3.158 6.926) 7.613 3.723 ( 0.000 5.983 8.821) 10.659 3.873 ( 0.000 -6.625 -8.194) 10.537 4.318 ( 0.000 26.851 -2.483) 26.965 4.477 ( 0.000 18.379 -0.070) 18.379 5.017 ( 0.000 -15.456 -2.837) 15.714 5.257 ( 0.000 -6.951 -3.528) 7.795 5.366 ( 0.000 12.671 -4.195) 13.347 5.594 ( 0.000 -3.832 -6.901) 7.893 5.626 ( 0.000 2.331 -3.368) 4.096 6.037 ( 0.000 -4.726 8.095) 9.374 6.718 ( 0.000 -1.723 -8.215) 8.394 6.750 ( 0.000 14.493 11.993) 18.811 7.097 ( 0.000 -6.517 6.913) 9.501 7.417 ( 0.000 9.011 -8.756) 12.565 7.465 ( 0.000 -10.315 1.880) 10.485 7.767 ( 0.000 -13.139 -4.835) 14.001 8.202 ( 0.000 -14.197 -17.767) 22.742 8.456 ( 0.000 14.169 19.699) 24.266 8.749 ( 0.000 16.805 -0.112) 16.806 9.002 ( 0.000 -8.205 8.439) 11.770 9.853 ( 0.000 -3.052 -2.264) 3.800 10.590 ( 0.000 12.347 -8.192) 14.817 10.631 ( 0.000 8.341 0.302) 8.347 11.169 ( 0.000 -6.238 7.264) 9.575 11.653 ( 0.000 -16.425 -0.311) 16.428 12.150 ( 0.000 1.986 -17.709) 17.820 12.417 ( 0.000 -0.574 -19.094) 19.102 13.152 ( 0.000 2.820 17.461) 17.687 13.369 ( 0.000 -7.484 16.403) 18.029 14.521 ( 0.000 4.773 -2.037) 5.190 14.812 ( 0.000 -4.148 -2.083) 4.642======================= Grid point 133 (50/180) =======================q-point: ( 0.09 0.33 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.628 ( 8.570 21.006 6.296) 23.545 1.725 ( -6.004 25.854 10.077) 28.391 3.041 ( 3.184 -15.462 -2.552) 15.992 3.073 ( 0.834 -10.528 2.955) 10.967 3.199 ( 8.785 20.001 6.725) 22.857 3.733 ( 2.219 6.301 5.512) 8.661 3.970 ( 6.817 -5.049 -7.062) 11.038 4.278 ( -2.937 23.359 -2.976) 23.731 4.404 ( -5.771 17.017 0.645) 17.981 4.973 ( -4.789 -13.651 -2.758) 14.727 5.135 ( -12.003 -8.321 1.300) 14.663 5.393 ( 3.574 12.409 -9.239) 15.878 5.632 ( 2.944 -3.994 -3.708) 6.194 5.663 ( 2.664 1.687 0.022) 3.154 5.998 ( -3.476 -3.459 7.359) 8.843 6.586 ( -8.767 1.740 -2.867) 9.386 6.810 ( 2.622 8.597 0.325) 8.994 7.141 ( 3.228 -3.363 6.816) 8.258 7.365 ( -3.531 6.333 -7.575) 10.486 7.514 ( 3.833 -6.028 2.380) 7.530 7.833 ( 5.284 -14.070 -3.576) 15.449 8.245 ( 3.540 -11.373 -9.579) 15.285 8.438 ( -1.087 12.541 15.553) 20.009 8.747 ( 0.295 13.112 -1.885) 13.251 9.050 ( 4.495 -3.189 7.353) 9.189 9.784 ( -7.013 -1.067 -3.701) 8.001 10.417 ( -8.846 8.065 -0.608) 11.986 10.809 ( 8.900 7.391 -4.980) 12.595 11.037 ( -11.141 -2.119 7.372) 13.526 11.608 ( -7.490 -12.896 -6.156) 16.134 12.005 ( -6.037 -0.559 -10.943) 12.510 12.656 ( 15.545 -0.130 -17.654) 23.523 13.102 ( -2.577 -4.538 16.699) 17.496 13.395 ( 1.762 0.354 14.230) 14.343 14.532 ( 0.901 2.164 -2.033) 3.103 14.790 ( -2.163 -4.346 -1.986) 5.245======================= Grid point 134 (51/180) =======================q-point: ( 0.18 0.33 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.623 ( -2.215 24.665 9.197) 26.417 1.862 ( 14.006 17.624 4.444) 22.946 3.051 ( -2.296 -16.120 4.573) 16.913 3.129 ( 4.625 -20.230 -6.630) 21.785 3.395 ( 9.355 19.585 2.204) 21.816 3.798 ( 3.204 8.531 2.036) 9.338 4.054 ( 3.136 7.978 -5.527) 10.200 4.177 ( -7.117 11.171 -2.891) 13.557 4.396 ( 4.239 7.728 -3.096) 9.342 4.819 ( -12.702 -4.366 -1.658) 13.533 4.898 ( -7.754 -12.260 4.283) 15.126 5.446 ( 0.443 6.433 -3.320) 7.253 5.616 ( -4.551 -6.154 0.877) 7.704 5.739 ( 2.966 0.136 0.074) 2.970 5.965 ( 2.521 0.495 6.425) 6.919 6.424 ( -7.394 2.372 -10.127) 12.761 6.835 ( -0.521 5.251 5.270) 7.458 7.200 ( 2.805 5.040 -6.805) 8.921 7.316 ( -0.859 5.128 -3.596) 6.322 7.573 ( 0.658 -7.026 3.851) 8.039 7.926 ( 4.147 -8.496 1.242) 9.536 8.291 ( 1.033 -0.695 17.402) 17.447 8.453 ( 2.408 4.666 -2.261) 5.716 8.788 ( 4.586 5.739 -8.059) 10.905 9.157 ( 5.850 2.531 6.947) 9.428 9.598 ( -11.222 2.882 -6.980) 13.526 10.272 ( -6.003 3.464 4.428) 8.224 10.788 ( -12.248 0.648 7.015) 14.130 10.931 ( 0.705 -0.101 -5.829) 5.873 11.422 ( -8.414 -3.293 -7.586) 11.798 11.913 ( -4.617 1.960 -3.482) 6.106 12.892 ( 6.895 2.123 -13.465) 15.276 13.131 ( 6.289 -13.358 9.724) 17.679 13.437 ( 3.294 5.372 10.811) 12.513 14.544 ( 0.172 -2.352 -2.284) 3.282 14.732 ( -3.635 -4.742 -1.723) 6.218======================= Grid point 135 (52/180) =======================q-point: ( 0.27 0.33 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 6.707 14.873 7.058) 17.777 2.149 ( 14.836 13.094 2.616) 19.960 2.975 ( -5.620 -18.284 4.235) 19.592 3.184 ( 0.058 -11.413 -7.837) 13.844 3.535 ( 5.877 7.025 -1.408) 9.267 3.842 ( 0.862 9.807 -2.206) 10.089 4.021 ( -2.429 13.496 -4.318) 14.377 4.226 ( 9.290 4.882 -0.604) 10.512 4.382 ( -6.817 -6.075 -8.320) 12.353 4.545 ( -13.510 -2.158 -1.965) 13.821 4.885 ( 4.870 -4.639 7.413) 10.010 5.394 ( -5.072 6.066 3.163) 8.516 5.487 ( -7.307 -11.313 0.529) 13.478 5.753 ( -1.224 -0.838 -0.412) 1.540 6.084 ( 6.891 -2.741 5.936) 9.499 6.329 ( -0.705 7.226 -10.144) 12.474 6.781 ( -4.799 5.151 12.328) 14.197 7.246 ( 2.058 9.289 -20.589) 22.681 7.339 ( 2.339 3.526 -3.379) 5.415 7.503 ( -7.348 -6.101 5.049) 10.803 8.010 ( 4.693 2.206 8.653) 10.088 8.316 ( 1.814 2.691 23.983) 24.202 8.489 ( 1.123 3.439 -2.906) 4.641 8.926 ( 8.837 -2.582 -12.237) 15.313 9.198 ( -5.406 -2.130 4.996) 7.663 9.439 ( -0.945 12.668 -8.461) 15.263 10.181 ( -3.448 -1.106 7.615) 8.432 10.552 ( -11.574 2.826 6.736) 13.687 10.855 ( -6.773 -5.825 -7.788) 11.851 11.279 ( -8.681 -3.294 4.832) 10.467 11.886 ( 3.761 13.185 -8.547) 16.157 12.906 ( -4.398 7.684 -7.801) 11.800 13.310 ( 10.462 -16.826 3.426) 20.108 13.536 ( 6.355 1.444 5.982) 8.846 14.536 ( -0.961 -5.710 -3.008) 6.525 14.656 ( -3.998 -4.924 -1.438) 6.503======================= Grid point 136 (53/180) =======================q-point: ( 0.36 0.33 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( 13.193 1.773 4.631) 14.094 2.402 ( 9.507 3.984 2.099) 10.520 2.844 ( -6.419 -12.144 2.042) 13.887 3.127 ( -5.282 -0.834 -4.965) 7.297 3.657 ( 6.518 -5.099 -4.847) 9.590 3.805 ( -2.755 8.461 -0.748) 8.929 4.068 ( 3.554 7.507 -8.583) 11.944 4.215 ( -8.046 -3.497 -0.422) 8.783 4.325 ( -7.140 -6.059 -5.493) 10.856 4.391 ( 5.337 4.522 -3.787) 7.954 4.988 ( 4.287 0.474 3.153) 5.343 5.297 ( -4.442 -0.668 0.636) 4.537 5.371 ( -3.451 -5.987 2.034) 7.203 5.677 ( -6.607 -5.182 0.685) 8.425 6.178 ( 4.409 -1.306 3.036) 5.510 6.429 ( 8.117 4.533 4.590) 10.369 6.673 ( -4.897 8.645 10.080) 14.154 7.241 ( -8.754 0.818 -0.109) 8.792 7.315 ( -0.064 4.738 -20.928) 21.458 7.421 ( 0.470 4.358 -4.102) 6.003 8.107 ( 5.449 7.351 13.449) 16.267 8.348 ( 0.742 4.724 21.762) 22.281 8.515 ( 2.129 3.258 1.299) 4.103 8.950 ( -11.203 -4.868 5.871) 13.552 9.157 ( 9.115 -2.374 -19.495) 21.651 9.500 ( 3.360 11.940 -5.423) 13.537 10.135 ( -1.379 -5.064 7.223) 8.929 10.353 ( -8.637 4.264 8.329) 12.734 10.739 ( -4.027 -3.188 -5.100) 7.238 11.069 ( -11.896 -4.419 8.935) 15.520 12.047 ( 11.409 17.149 -10.903) 23.305 12.761 ( -9.843 12.520 -7.039) 17.412 13.501 ( 8.776 -17.009 2.447) 19.295 13.648 ( 4.466 -4.156 3.364) 6.967 14.513 ( -1.101 -7.291 -3.764) 8.279 14.584 ( -3.371 -4.918 -1.591) 6.171======================= Grid point 137 (54/180) =======================q-point: ( 0.45 0.33 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.146 ( 14.860 -8.998 3.120) 17.650 2.402 ( -9.609 -12.977 2.859) 16.398 2.843 ( 6.649 5.146 -0.716) 8.438 2.998 ( -7.830 4.189 -2.032) 9.109 3.760 ( 3.120 -5.152 -5.887) 8.422 3.778 ( -0.136 3.279 -2.240) 3.973 4.051 ( -1.589 -5.045 -3.475) 6.329 4.095 ( -5.223 -4.515 -2.298) 7.276 4.326 ( 5.381 4.419 -6.991) 9.867 4.419 ( -2.599 5.596 -6.169) 8.725 5.069 ( 5.137 -0.260 -0.867) 5.216 5.188 ( -6.499 -2.928 -2.822) 7.666 5.397 ( 4.988 -4.459 3.270) 7.447 5.527 ( -7.895 -5.880 1.799) 10.007 6.294 ( 7.311 1.579 9.676) 12.230 6.440 ( -6.676 1.165 15.626) 17.033 6.744 ( 11.610 7.608 0.555) 13.892 6.999 ( -13.631 2.503 1.957) 13.996 7.362 ( 2.997 5.314 -16.678) 17.759 7.412 ( -1.768 5.298 -13.189) 14.322 8.223 ( 6.171 8.438 16.169) 19.254 8.323 ( -3.466 7.052 18.264) 19.882 8.587 ( 5.381 2.043 4.804) 7.497 8.732 ( -9.758 -0.679 4.585) 10.803 9.353 ( 9.660 -2.412 -16.446) 19.225 9.497 ( -4.257 3.775 -11.041) 12.421 10.139 ( 2.257 -1.990 7.361) 7.952 10.218 ( -5.496 3.299 9.816) 11.724 10.728 ( 3.173 -1.607 0.808) 3.647 10.855 ( -9.424 -2.792 6.354) 11.704 12.291 ( 13.158 16.712 -9.788) 23.414 12.542 ( -12.403 15.202 -8.162) 21.249 13.638 ( 5.111 -14.444 2.479) 15.521 13.691 ( -0.241 -9.720 2.724) 10.098 14.504 ( 0.347 -6.800 -3.624) 7.713 14.529 ( -2.159 -5.521 -2.563) 6.459======================= Grid point 143 (55/180) =======================q-point: ( 0.00 0.44 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( 0.000 20.900 2.786) 21.085 2.174 ( 0.000 8.987 5.784) 10.687 2.643 ( 0.000 -10.807 0.726) 10.831 2.785 ( 0.000 -16.347 6.285) 17.513 3.585 ( 0.000 13.968 -5.011) 14.839 3.751 ( 0.000 -6.241 -6.565) 9.058 4.012 ( 0.000 26.123 15.354) 30.302 4.573 ( 0.000 -27.626 9.855) 29.331 4.796 ( 0.000 17.050 -2.393) 17.217 4.856 ( 0.000 24.143 -2.765) 24.301 5.065 ( 0.000 -11.442 -2.266) 11.664 5.289 ( 0.000 -17.566 -7.612) 19.145 5.667 ( 0.000 1.756 -5.697) 5.962 5.670 ( 0.000 3.236 -8.525) 9.119 6.106 ( 0.000 14.376 8.364) 16.632 6.469 ( 0.000 -19.166 2.365) 19.311 7.061 ( 0.000 15.184 1.757) 15.286 7.112 ( 0.000 4.653 2.875) 5.470 7.297 ( 0.000 -5.409 5.229) 7.524 7.462 ( 0.000 -16.581 -1.457) 16.645 7.643 ( 0.000 13.195 -14.021) 19.253 7.918 ( 0.000 -14.586 -16.845) 22.282 8.664 ( 0.000 8.686 17.604) 19.630 8.833 ( 0.000 -8.741 13.636) 16.197 9.202 ( 0.000 25.776 0.184) 25.776 9.648 ( 0.000 -17.915 0.087) 17.915 10.762 ( 0.000 4.698 -5.898) 7.541 10.765 ( 0.000 4.232 -7.983) 9.035 11.151 ( 0.000 5.126 9.160) 10.497 11.350 ( 0.000 -13.899 2.634) 14.147 12.233 ( 0.000 6.130 -23.198) 23.995 12.357 ( 0.000 -5.459 -24.137) 24.747 13.195 ( 0.000 2.016 19.712) 19.815 13.251 ( 0.000 -4.237 20.200) 20.640 14.620 ( 0.000 5.260 -1.889) 5.588 14.721 ( 0.000 -5.012 -1.945) 5.376======================= Grid point 144 (56/180) =======================q-point: ( 0.09 0.44 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( 6.463 19.454 2.177) 20.615 2.159 ( -1.868 14.421 6.493) 15.925 2.659 ( 2.202 -13.869 -0.436) 14.050 2.763 ( -2.174 -16.836 6.122) 18.046 3.630 ( 4.365 13.015 -6.229) 15.075 3.809 ( 5.853 -4.996 -6.132) 9.840 4.040 ( 1.744 20.454 11.657) 23.607 4.537 ( -4.495 -18.664 7.567) 20.635 4.689 ( -8.927 6.242 -3.165) 11.343 4.801 ( -3.914 23.023 -2.719) 23.512 4.989 ( -8.364 -6.876 1.497) 10.931 5.289 ( -0.242 -17.075 -2.427) 17.249 5.676 ( 3.581 1.628 -8.066) 8.974 5.721 ( 1.149 3.224 -2.732) 4.379 6.077 ( -2.577 13.010 5.008) 14.177 6.403 ( -5.198 -15.898 -2.422) 16.901 7.062 ( -0.286 13.407 2.156) 13.583 7.162 ( 4.775 3.055 0.735) 5.716 7.351 ( 4.135 -3.970 4.614) 7.359 7.516 ( 1.581 -9.051 -6.748) 11.400 7.582 ( -0.124 1.240 -4.623) 4.788 8.029 ( 8.940 -8.328 -12.307) 17.342 8.614 ( -3.418 5.201 15.356) 16.569 8.858 ( 1.225 -2.675 10.290) 10.702 9.235 ( 2.931 20.926 2.095) 21.233 9.631 ( -1.689 -14.716 -0.100) 14.813 10.573 ( -10.754 6.286 -7.029) 14.303 10.874 ( 2.003 0.722 -3.422) 4.030 11.017 ( -10.465 -0.731 1.636) 10.618 11.398 ( 1.718 -6.555 6.029) 9.070 12.035 ( -7.560 2.095 -22.314) 23.652 12.637 ( 16.299 -1.331 -21.090) 26.687 13.015 ( -9.028 -2.766 20.651) 22.707 13.417 ( 8.161 0.884 16.874) 18.765 14.587 ( -3.149 2.921 -3.144) 5.322 14.707 ( -1.532 -3.627 -0.871) 4.033======================= Grid point 145 (57/180) =======================q-point: ( 0.18 0.44 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.095 ( -3.976 21.440 7.090) 22.929 2.197 ( 8.984 13.969 1.634) 16.689 2.698 ( -2.095 -16.832 3.347) 17.289 2.754 ( 5.513 -16.337 -1.153) 17.281 3.731 ( 4.882 12.918 -7.934) 15.926 3.960 ( 8.479 -3.045 -4.983) 10.295 4.043 ( -0.978 8.658 2.376) 9.031 4.377 ( -10.610 1.003 -0.196) 10.660 4.501 ( -10.204 -6.487 -2.804) 12.413 4.755 ( -10.705 2.522 3.200) 11.454 4.810 ( 1.641 9.734 4.535) 10.863 5.271 ( -1.717 -16.512 4.056) 17.089 5.689 ( -4.302 6.200 0.864) 7.596 5.753 ( 2.148 0.273 -1.691) 2.747 6.016 ( -2.848 3.723 -2.067) 5.123 6.341 ( -0.113 -6.524 -5.832) 8.752 7.039 ( -2.299 11.733 3.979) 12.601 7.271 ( 5.592 0.953 -7.489) 9.395 7.403 ( 0.401 -0.240 -2.920) 2.957 7.442 ( -3.717 -2.484 -5.803) 7.325 7.751 ( 12.087 -6.683 9.176) 16.582 8.201 ( 7.761 -3.816 1.240) 8.737 8.585 ( 1.140 4.055 7.383) 8.500 8.859 ( -0.905 1.223 3.867) 4.156 9.267 ( -1.567 7.364 1.224) 7.627 9.607 ( 0.437 -2.579 0.678) 2.702 10.362 ( -10.571 4.820 -5.761) 12.968 10.765 ( -11.422 -2.631 5.174) 12.812 10.874 ( -4.641 -2.752 -8.920) 10.425 11.370 ( -4.776 -1.755 10.184) 11.384 12.000 ( 3.326 4.473 -19.271) 20.061 12.901 ( 3.015 -7.309 11.690) 14.113 12.918 ( 6.908 0.344 -11.824) 13.699 13.537 ( 4.265 3.194 13.484) 14.499 14.511 ( -4.219 -0.894 -5.145) 6.713 14.662 ( -2.997 -2.044 0.596) 3.676======================= Grid point 146 (58/180) =======================q-point: ( 0.27 0.44 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.024 ( -2.722 20.211 6.902) 21.530 2.328 ( 2.443 -2.562 3.318) 4.852 2.685 ( 3.019 -3.499 0.660) 4.668 2.894 ( 7.644 -15.443 -4.671) 17.853 3.753 ( -3.122 12.266 -5.441) 13.776 4.015 ( -1.292 6.731 -3.198) 7.563 4.083 ( -1.912 -10.748 -4.072) 11.652 4.224 ( -1.086 4.595 -4.009) 6.194 4.344 ( -3.326 -3.842 -4.614) 6.864 4.506 ( -11.506 -0.318 2.564) 11.792 4.926 ( 6.893 9.141 5.134) 12.547 5.227 ( -2.604 -13.761 3.164) 14.358 5.562 ( -8.364 9.089 2.616) 12.626 5.705 ( -6.104 -4.807 2.537) 8.174 6.029 ( 3.971 -2.111 -3.581) 5.748 6.389 ( 4.230 0.635 1.885) 4.674 6.968 ( -4.889 10.133 4.251) 12.027 7.316 ( -3.069 -6.316 -4.080) 8.122 7.371 ( -0.653 3.278 -19.774) 20.055 7.443 ( 2.690 0.956 2.071) 3.527 7.992 ( 12.117 -1.752 12.563) 17.542 8.320 ( 4.942 -0.785 13.724) 14.608 8.638 ( 2.541 7.762 3.802) 9.009 8.847 ( 0.312 -4.217 -1.074) 4.362 9.160 ( -7.399 -1.303 -9.615) 12.202 9.662 ( 3.936 7.045 1.909) 8.292 10.171 ( -8.768 0.163 -2.603) 9.148 10.562 ( -8.872 -0.907 6.109) 10.810 10.772 ( -5.246 -2.105 -5.402) 7.819 11.216 ( -10.411 -2.234 12.987) 16.794 12.134 ( 9.714 9.426 -17.972) 22.499 12.928 ( 2.266 -6.635 7.061) 9.951 13.085 ( 6.864 -1.701 -9.042) 11.478 13.587 ( 0.959 2.120 10.517) 10.771 14.437 ( -3.135 -3.309 -6.357) 7.822 14.596 ( -3.660 -1.422 1.018) 4.057======================= Grid point 147 (59/180) =======================q-point: ( 0.36 0.44 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( 0.708 11.805 5.986) 13.255 2.282 ( -5.594 -14.516 5.074) 16.363 2.817 ( 8.794 8.317 -3.039) 12.480 3.021 ( 4.799 -9.665 -6.337) 12.514 3.675 ( -3.197 6.252 -3.208) 7.720 3.897 ( -8.623 -2.959 -0.398) 9.125 3.992 ( -4.174 -4.292 -5.133) 7.886 4.192 ( -8.171 -1.654 4.327) 9.393 4.348 ( 5.203 6.316 -8.622) 11.887 4.460 ( 4.803 0.190 -8.876) 10.094 5.033 ( 3.718 4.906 0.184) 6.159 5.178 ( -2.303 -8.662 -1.203) 9.043 5.403 ( -6.545 5.740 2.984) 9.202 5.565 ( -7.724 -5.933 3.865) 10.479 6.136 ( 6.715 -1.554 3.863) 7.902 6.468 ( 2.563 0.413 13.972) 14.211 6.873 ( -3.561 8.416 0.710) 9.166 7.196 ( -7.942 -3.600 3.748) 9.491 7.388 ( 2.052 2.319 -19.957) 20.196 7.490 ( 1.343 1.857 -9.577) 9.847 8.205 ( 9.501 2.370 14.690) 17.654 8.398 ( 2.816 0.887 15.708) 15.983 8.645 ( -0.887 9.023 6.332) 11.059 8.822 ( -5.117 -8.144 5.998) 11.335 9.115 ( 5.290 -1.210 -24.176) 24.777 9.683 ( -3.691 5.157 -8.333) 10.471 10.064 ( -0.764 -1.866 7.721) 7.980 10.412 ( -7.180 1.711 12.064) 14.143 10.697 ( -1.870 -1.082 -3.980) 4.528 11.002 ( -10.813 -2.042 10.982) 15.547 12.351 ( 12.116 11.634 -16.428) 23.495 12.924 ( -3.600 1.931 -6.044) 7.296 13.219 ( 7.518 -7.690 2.491) 11.039 13.575 ( -2.222 -2.918 8.381) 9.148 14.399 ( -0.631 -3.392 -6.120) 7.026 14.525 ( -3.595 -1.408 0.051) 3.861======================= Grid point 148 (60/180) =======================q-point: ( 0.45 0.44 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.052 ( 4.221 0.172 5.212) 6.709 2.159 ( -6.423 -10.130 5.028) 13.006 2.975 ( 6.706 6.987 -4.782) 10.801 3.057 ( -1.357 0.001 -6.197) 6.344 3.662 ( 2.028 -2.062 -2.420) 3.771 3.746 ( -6.329 -5.812 -1.832) 8.786 3.959 ( 1.067 -1.285 -0.525) 1.751 4.035 ( -6.525 -1.117 3.273) 7.385 4.464 ( 5.157 5.732 -11.608) 13.935 4.519 ( 0.102 2.592 -11.300) 11.594 5.082 ( 2.184 1.605 -4.046) 4.870 5.132 ( -2.631 -3.005 -4.052) 5.689 5.348 ( 0.971 -0.112 4.576) 4.679 5.424 ( -6.251 -4.133 4.784) 8.890 6.284 ( 8.298 -0.947 11.633) 14.321 6.434 ( -6.036 -0.676 17.727) 18.739 6.888 ( 5.181 4.978 0.701) 7.219 7.031 ( -8.584 0.486 4.441) 9.677 7.440 ( 2.921 2.326 -18.584) 18.956 7.487 ( -1.580 2.031 -15.412) 15.625 8.353 ( 5.595 3.918 15.663) 17.088 8.418 ( -1.029 2.524 15.319) 15.559 8.644 ( 1.258 3.466 6.380) 7.369 8.705 ( -5.167 -2.384 5.414) 7.854 9.297 ( 11.530 -2.018 -21.573) 24.544 9.524 ( -11.078 -0.093 -17.434) 20.656 10.132 ( 6.301 0.361 14.536) 15.847 10.270 ( -7.424 1.533 14.826) 16.652 10.711 ( 3.241 -0.269 0.213) 3.259 10.819 ( -7.749 -0.904 5.975) 9.826 12.587 ( 11.807 11.281 -14.321) 21.720 12.795 ( -9.197 8.499 -11.539) 17.029 13.370 ( 7.581 -9.994 6.204) 13.995 13.500 ( -5.491 -7.895 7.221) 12.026 14.411 ( 1.742 -2.410 -4.396) 5.307 14.460 ( -3.045 -1.717 -2.003) 4.029======================= Grid point 198 (61/180) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.962 ( 0.000 0.000 24.302) 24.302 1.100 ( 0.000 0.000 27.622) 27.622 2.052 ( 0.000 0.000 44.054) 44.054 3.252 ( 0.000 0.000 -1.597) 1.597 3.648 ( 0.000 0.000 3.375) 3.375 3.850 ( 0.000 0.000 -13.824) 13.824 3.912 ( 0.000 0.000 4.172) 4.172 4.012 ( 0.000 0.000 13.251) 13.251 4.033 ( 0.000 0.000 -25.531) 25.531 4.182 ( 0.000 0.000 -17.870) 17.870 4.466 ( 0.000 0.000 -3.673) 3.673 5.269 ( 0.000 0.000 -10.518) 10.518 5.559 ( 0.000 0.000 0.719) 0.719 5.674 ( 0.000 0.000 5.835) 5.835 6.315 ( 0.000 0.000 10.769) 10.769 6.605 ( 0.000 0.000 10.865) 10.865 6.632 ( 0.000 0.000 22.185) 22.185 7.294 ( 0.000 0.000 3.483) 3.483 7.530 ( 0.000 0.000 -8.072) 8.072 7.872 ( 0.000 0.000 -5.506) 5.506 7.988 ( 0.000 0.000 16.443) 16.443 8.011 ( 0.000 0.000 -23.925) 23.925 8.141 ( 0.000 0.000 -6.198) 6.198 8.444 ( 0.000 0.000 -16.788) 16.788 8.612 ( 0.000 0.000 -23.333) 23.333 9.986 ( 0.000 0.000 -0.268) 0.268 10.091 ( 0.000 0.000 12.143) 12.143 10.516 ( 0.000 0.000 12.461) 12.461 11.627 ( 0.000 0.000 4.559) 4.559 12.145 ( 0.000 0.000 -9.308) 9.308 12.230 ( 0.000 0.000 -3.600) 3.600 12.487 ( 0.000 0.000 -3.893) 3.893 13.122 ( 0.000 0.000 9.173) 9.173 13.874 ( 0.000 0.000 10.911) 10.911 14.202 ( 0.000 0.000 -4.851) 4.851 14.871 ( 0.000 0.000 -4.533) 4.533======================= Grid point 199 (62/180) =======================q-point: ( 0.09 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( 0.382 0.000 26.525) 26.528 1.131 ( 16.033 0.000 20.703) 26.185 2.278 ( 19.991 0.000 35.605) 40.834 3.250 ( 0.088 0.000 -1.209) 1.212 3.594 ( -4.841 0.000 1.619) 5.105 3.749 ( -9.325 0.000 6.440) 11.333 3.800 ( -4.230 0.000 -8.264) 9.283 3.986 ( -0.940 0.000 -15.461) 15.490 4.155 ( 9.344 0.000 -1.064) 9.404 4.216 ( 2.833 0.000 -18.295) 18.513 4.792 ( 24.461 0.000 -10.393) 26.577 5.218 ( -5.899 0.000 -6.087) 8.477 5.542 ( -1.586 0.000 0.615) 1.701 5.664 ( 0.270 0.000 0.492) 0.562 6.392 ( 6.231 0.000 11.184) 12.802 6.502 ( -9.579 0.000 8.821) 13.022 6.583 ( -4.192 0.000 22.010) 22.406 7.169 ( -9.990 0.000 2.298) 10.250 7.472 ( -3.225 0.000 -6.256) 7.038 7.832 ( -0.408 0.000 15.405) 15.410 7.938 ( -7.927 0.000 -22.946) 24.277 8.153 ( 3.268 0.000 -5.881) 6.728 8.193 ( 9.414 0.000 2.774) 9.814 8.659 ( 20.933 0.000 -20.502) 29.300 8.698 ( 7.404 0.000 -21.684) 22.913 9.989 ( 0.256 0.000 0.018) 0.257 10.024 ( -6.723 0.000 13.366) 14.961 10.505 ( -0.985 0.000 11.980) 12.021 11.219 ( -30.813 0.000 12.125) 33.113 11.794 ( -19.808 0.000 -8.325) 21.487 12.547 ( 13.452 0.000 -5.307) 14.461 12.551 ( 1.435 0.000 -1.659) 2.193 12.967 ( -10.908 0.000 9.995) 14.794 13.976 ( 8.213 0.000 9.786) 12.776 14.271 ( 5.737 0.000 -11.277) 12.653 14.913 ( 3.177 0.000 -4.393) 5.421======================= Grid point 200 (63/180) =======================q-point: ( 0.18 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( 13.086 0.000 15.761) 20.486 1.521 ( 22.817 0.000 15.234) 27.435 2.715 ( 23.103 0.000 20.816) 31.097 3.264 ( 1.236 0.000 -0.909) 1.534 3.482 ( -6.392 0.000 -1.328) 6.529 3.604 ( -6.420 0.000 0.156) 6.422 3.716 ( -3.903 0.000 -5.001) 6.344 3.969 ( -0.780 0.000 -17.486) 17.503 4.323 ( 8.993 0.000 -7.281) 11.571 4.364 ( 11.536 0.000 0.256) 11.539 5.042 ( -11.253 0.000 -0.893) 11.288 5.231 ( 17.772 0.000 -14.038) 22.648 5.522 ( 1.910 0.000 -1.558) 2.465 5.703 ( 3.136 0.000 -6.790) 7.479 6.276 ( -12.831 0.000 5.707) 14.043 6.379 ( -8.642 0.000 16.525) 18.648 6.619 ( 8.654 0.000 16.072) 18.254 6.996 ( -7.894 0.000 -0.065) 7.894 7.350 ( -9.410 0.000 0.391) 9.419 7.753 ( -9.987 0.000 -17.517) 20.164 7.893 ( 6.264 0.000 20.176) 21.126 8.264 ( 7.636 0.000 -5.504) 9.413 8.316 ( 4.747 0.000 -0.750) 4.805 8.854 ( 8.071 0.000 -19.014) 20.656 9.031 ( 11.449 0.000 -6.181) 13.011 9.852 ( -9.882 0.000 12.738) 16.122 9.992 ( -0.102 0.000 0.844) 0.850 10.486 ( -0.715 0.000 10.249) 10.274 10.736 ( -14.760 0.000 6.581) 16.160 11.420 ( -18.621 0.000 -10.009) 21.141 12.421 ( -21.289 0.000 4.440) 21.747 12.493 ( -6.771 0.000 -0.086) 6.772 13.059 ( 16.368 0.000 1.110) 16.406 14.126 ( 6.446 0.000 8.028) 10.296 14.390 ( 6.214 0.000 -14.890) 16.134 14.955 ( 0.696 0.000 -3.754) 3.818======================= Grid point 201 (64/180) =======================q-point: ( 0.27 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 20.282 0.000 4.426) 20.759 1.980 ( 23.745 0.000 10.745) 26.064 3.103 ( 13.126 0.000 4.533) 13.887 3.279 ( 1.244 0.000 1.033) 1.617 3.355 ( -6.545 0.000 -3.672) 7.504 3.505 ( -2.234 0.000 -6.995) 7.343 3.656 ( -2.289 0.000 -3.690) 4.342 3.956 ( -0.734 0.000 -13.023) 13.044 4.571 ( 8.222 0.000 -2.116) 8.489 4.580 ( 17.387 0.000 6.950) 18.725 4.831 ( -8.536 0.000 -0.133) 8.537 5.345 ( -1.439 0.000 -3.263) 3.566 5.750 ( 15.796 0.000 -12.808) 20.336 5.756 ( 1.796 0.000 -9.766) 9.930 6.035 ( -10.183 0.000 2.410) 10.465 6.176 ( -11.056 0.000 14.871) 18.530 6.803 ( 9.534 0.000 14.752) 17.565 6.817 ( -12.113 0.000 0.225) 12.115 7.155 ( -9.292 0.000 3.516) 9.935 7.572 ( -8.468 0.000 -10.232) 13.282 8.040 ( 8.097 0.000 21.192) 22.686 8.408 ( 5.268 0.000 -1.321) 5.431 8.438 ( 10.052 0.000 -3.009) 10.493 8.999 ( 6.604 0.000 -15.641) 16.978 9.017 ( -10.192 0.000 20.738) 23.107 9.651 ( -11.940 0.000 6.980) 13.831 9.981 ( -0.968 0.000 1.275) 1.601 10.490 ( 1.274 0.000 6.983) 7.098 10.709 ( 10.397 0.000 -10.035) 14.450 11.075 ( -16.657 0.000 -10.969) 19.944 11.958 ( -24.765 0.000 5.627) 25.397 12.311 ( -11.529 0.000 -2.359) 11.767 13.391 ( 16.749 0.000 -0.122) 16.750 14.211 ( 2.121 0.000 6.230) 6.581 14.508 ( 5.938 0.000 -13.490) 14.739 14.941 ( -1.951 0.000 -3.500) 4.007======================= Grid point 202 (65/180) =======================q-point: ( 0.36 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( 21.611 0.000 -2.208) 21.723 2.422 ( 21.322 0.000 6.312) 22.236 3.034 ( -12.831 0.000 -5.725) 14.051 3.225 ( -7.194 0.000 -4.908) 8.709 3.452 ( 9.939 0.000 0.400) 9.947 3.536 ( 4.141 0.000 -8.630) 9.572 3.632 ( 0.124 0.000 -2.134) 2.137 3.917 ( -4.121 0.000 -5.141) 6.589 4.608 ( -0.937 0.000 -6.506) 6.573 4.802 ( 2.336 0.000 -1.552) 2.805 4.967 ( 20.916 0.000 15.008) 25.743 5.330 ( 1.669 0.000 -2.427) 2.945 5.729 ( -11.142 0.000 -0.541) 11.155 5.767 ( -0.237 0.000 -7.930) 7.934 5.984 ( -8.074 0.000 8.661) 11.840 6.158 ( 13.947 0.000 -10.524) 17.472 6.521 ( -15.951 0.000 4.356) 16.535 6.979 ( 8.573 0.000 13.253) 15.784 6.997 ( -7.918 0.000 -1.183) 8.006 7.421 ( -7.295 0.000 -2.285) 7.645 8.192 ( 7.419 0.000 21.503) 22.747 8.535 ( 7.476 0.000 0.231) 7.479 8.650 ( 11.599 0.000 -0.269) 11.602 8.776 ( -11.781 0.000 29.673) 31.926 9.090 ( 1.988 0.000 -9.762) 9.962 9.378 ( -15.620 0.000 6.783) 17.029 9.976 ( 1.473 0.000 -1.669) 2.226 10.500 ( -3.248 0.000 -0.071) 3.249 10.814 ( -7.096 0.000 -6.867) 9.875 11.018 ( 18.956 0.000 -15.201) 24.298 11.498 ( -21.962 0.000 4.486) 22.416 12.055 ( -14.678 0.000 -6.161) 15.919 13.694 ( 14.249 0.000 0.388) 14.254 14.206 ( -2.548 0.000 4.462) 5.138 14.619 ( 5.480 0.000 -10.801) 12.112 14.887 ( -3.475 0.000 -4.253) 5.492======================= Grid point 203 (66/180) =======================q-point: ( 0.45 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.361 ( 20.315 0.000 -5.580) 21.068 2.731 ( -17.671 0.000 -6.796) 18.933 2.792 ( 16.501 0.000 1.249) 16.549 3.056 ( -10.787 0.000 -3.349) 11.295 3.582 ( 3.918 0.000 -3.799) 5.458 3.607 ( 1.620 0.000 -6.968) 7.154 3.674 ( 4.419 0.000 -0.445) 4.442 3.796 ( -7.388 0.000 -0.394) 7.398 4.660 ( 5.918 0.000 -7.028) 9.188 4.781 ( -4.784 0.000 -4.599) 6.636 5.272 ( 9.425 0.000 6.075) 11.213 5.419 ( -2.354 0.000 1.862) 3.002 5.632 ( 12.314 0.000 5.470) 13.474 5.783 ( 2.496 0.000 -3.152) 4.020 5.860 ( -5.145 0.000 1.118) 5.265 6.028 ( -21.487 0.000 8.115) 22.968 6.560 ( 14.164 0.000 -9.161) 16.869 6.815 ( -11.295 0.000 -6.394) 12.979 7.137 ( 7.720 0.000 9.955) 12.598 7.281 ( -7.234 0.000 4.687) 8.619 8.336 ( 7.827 0.000 22.516) 23.838 8.505 ( -9.401 0.000 21.899) 23.831 8.791 ( 12.163 0.000 10.004) 15.749 8.875 ( 11.090 0.000 0.736) 11.115 9.051 ( -6.130 0.000 -2.399) 6.582 9.069 ( -15.659 0.000 7.523) 17.372 10.075 ( 9.039 0.000 -7.115) 11.504 10.305 ( -13.445 0.000 -8.566) 15.941 10.867 ( 9.642 0.000 1.156) 9.711 11.123 ( -16.396 0.000 2.904) 16.651 11.393 ( 19.038 0.000 -13.588) 23.389 11.745 ( -17.167 0.000 -10.144) 19.940 13.939 ( 10.906 0.000 1.433) 11.000 14.113 ( -6.964 0.000 2.828) 7.516 14.720 ( 4.939 0.000 -8.132) 9.514 14.810 ( -4.332 0.000 -5.877) 7.301======================= Grid point 209 (67/180) =======================q-point: ( 0.00 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( 0.000 14.885 21.799) 26.396 1.262 ( 0.000 15.208 24.375) 28.731 2.232 ( 0.000 18.020 38.162) 42.203 3.364 ( 0.000 9.977 -2.487) 10.282 3.678 ( 0.000 -1.369 7.392) 7.518 3.687 ( 0.000 -17.985 -10.895) 21.027 3.850 ( 0.000 -4.631 -21.279) 21.777 3.875 ( 0.000 5.525 3.587) 6.587 4.004 ( 0.000 -2.471 14.084) 14.299 4.469 ( 0.000 16.670 -21.544) 27.240 4.561 ( 0.000 9.207 -5.681) 10.819 5.265 ( 0.000 -0.369 -10.099) 10.106 5.555 ( 0.000 0.453 1.509) 1.576 5.893 ( 0.000 17.824 -4.024) 18.273 6.248 ( 0.000 -8.150 12.028) 14.529 6.432 ( 0.000 -7.985 13.816) 15.958 6.777 ( 0.000 6.573 17.151) 18.367 7.307 ( 0.000 0.777 1.822) 1.980 7.492 ( 0.000 -3.198 -3.471) 4.719 7.804 ( 0.000 -6.243 -4.365) 7.618 7.917 ( 0.000 -4.480 -1.995) 4.904 8.035 ( 0.000 4.439 -8.676) 9.746 8.335 ( 0.000 -8.657 -15.959) 18.156 8.416 ( 0.000 19.813 -1.276) 19.854 8.727 ( 0.000 8.617 -22.867) 24.436 9.969 ( 0.000 0.127 -2.579) 2.582 10.047 ( 0.000 -3.765 12.660) 13.207 10.564 ( 0.000 4.185 11.030) 11.798 11.574 ( 0.000 -5.259 4.838) 7.146 12.123 ( 0.000 -9.885 -4.669) 10.932 12.142 ( 0.000 -0.468 -10.670) 10.680 12.326 ( 0.000 -13.300 -0.822) 13.325 13.204 ( 0.000 6.899 10.124) 12.252 13.846 ( 0.000 -2.795 11.574) 11.907 14.262 ( 0.000 4.897 -5.452) 7.328 14.858 ( 0.000 -1.383 -4.467) 4.677======================= Grid point 210 (68/180) =======================q-point: ( 0.09 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -0.970 12.085 23.782) 26.694 1.304 ( 10.563 12.774 21.254) 26.953 2.444 ( 18.573 16.230 29.861) 38.730 3.349 ( -1.052 8.628 -2.052) 8.930 3.602 ( -4.198 -1.301 5.023) 6.675 3.665 ( -5.690 -12.270 -12.035) 18.105 3.791 ( -2.026 3.029 -4.635) 5.896 3.966 ( 3.997 -2.644 -8.774) 9.998 3.977 ( 1.679 -0.058 8.271) 8.440 4.506 ( 2.790 14.252 -20.871) 25.426 4.783 ( 18.777 2.690 -4.234) 19.435 5.216 ( -5.535 -0.510 -6.343) 8.434 5.537 ( -1.175 0.359 -0.103) 1.233 5.866 ( -0.927 15.726 -5.543) 16.700 6.329 ( 1.317 -10.791 14.217) 17.897 6.385 ( 0.542 -2.387 9.325) 9.641 6.662 ( -10.468 3.286 14.447) 18.141 7.232 ( -7.366 5.006 3.042) 9.411 7.452 ( -2.370 -1.883 -3.769) 4.834 7.779 ( -0.813 -4.740 4.870) 6.844 7.958 ( -3.778 0.840 -14.656) 15.158 8.123 ( 11.310 0.135 3.088) 11.725 8.320 ( -1.143 5.395 -6.523) 8.542 8.492 ( 9.671 -2.763 -17.061) 19.805 8.865 ( 10.277 6.606 -14.273) 18.787 9.976 ( -3.718 -3.158 6.719) 8.303 10.010 ( 1.088 2.546 2.153) 3.507 10.555 ( -0.783 4.498 10.350) 11.312 11.225 ( -26.375 0.230 9.637) 28.082 11.740 ( -20.010 -5.661 -9.303) 22.781 12.394 ( 1.168 -12.212 0.784) 12.292 12.503 ( 15.420 -3.997 -6.969) 17.387 13.114 ( -7.050 11.206 8.724) 15.855 13.856 ( 3.119 -8.867 9.748) 13.541 14.349 ( 6.417 5.177 -7.749) 11.315 14.881 ( 1.792 -2.973 -4.078) 5.355======================= Grid point 211 (69/180) =======================q-point: ( 0.18 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 10.401 5.635 17.049) 20.751 1.609 ( 19.120 7.628 16.344) 26.284 2.838 ( 19.964 11.387 15.396) 27.663 3.333 ( -0.930 6.119 -1.734) 6.428 3.516 ( -4.352 -5.575 -1.627) 7.257 3.555 ( -5.082 4.410 -5.203) 8.506 3.711 ( -4.605 -2.327 -3.155) 6.047 4.006 ( 0.374 4.737 -18.372) 18.976 4.122 ( 11.284 -7.446 9.632) 16.600 4.596 ( 6.526 10.335 -10.425) 16.065 5.004 ( -7.299 -1.017 0.385) 7.380 5.190 ( 12.776 -2.519 -8.735) 15.680 5.531 ( 1.264 1.577 -1.959) 2.815 5.889 ( 2.748 13.573 -9.109) 16.576 6.190 ( -9.124 -6.923 9.271) 14.735 6.400 ( -13.374 -0.045 10.429) 16.960 6.557 ( 8.767 -4.663 11.311) 15.051 7.081 ( -7.929 7.035 0.625) 10.618 7.350 ( -7.968 0.052 3.041) 8.529 7.731 ( -6.565 -1.785 -12.932) 14.612 7.933 ( 4.495 3.621 14.804) 15.889 8.315 ( 4.478 0.144 -1.053) 4.603 8.359 ( 8.745 8.104 -4.223) 12.648 8.715 ( 11.538 -9.424 -18.168) 23.495 9.002 ( 1.853 -3.663 1.558) 4.390 9.819 ( -10.521 -3.198 12.943) 16.983 10.110 ( 6.923 9.464 -7.462) 13.899 10.542 ( -0.969 6.360 9.552) 11.517 10.790 ( -14.685 4.450 6.056) 16.496 11.362 ( -18.713 -5.856 -11.216) 22.589 12.257 ( -14.750 -9.392 5.382) 18.296 12.613 ( -5.337 4.662 -3.624) 7.959 13.126 ( 10.838 6.911 3.063) 13.213 13.965 ( 6.844 -13.078 5.239) 15.663 14.458 ( 4.660 4.227 -9.030) 11.006 14.902 ( -0.007 -4.993 -3.433) 6.059======================= Grid point 212 (70/180) =======================q-point: ( 0.27 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 19.318 0.958 5.923) 20.228 2.010 ( 21.513 3.078 12.481) 25.061 3.116 ( 2.728 0.667 -1.699) 3.282 3.322 ( 4.638 4.195 -0.009) 6.254 3.455 ( -5.680 8.387 -2.250) 10.376 3.487 ( 1.988 0.311 -3.839) 4.334 3.641 ( -2.510 -3.588 -4.307) 6.142 3.995 ( -1.192 4.606 -16.904) 17.561 4.354 ( 10.624 -8.891 7.725) 15.862 4.696 ( -0.719 -4.709 -0.648) 4.808 4.892 ( 3.992 10.546 2.137) 11.477 5.341 ( 1.390 -0.480 -4.854) 5.072 5.638 ( 8.189 -2.089 -5.520) 10.094 5.884 ( -6.311 -0.544 -1.354) 6.477 6.095 ( -3.133 6.693 -2.777) 7.895 6.131 ( -6.541 -1.589 5.199) 8.505 6.731 ( 7.543 -5.118 9.678) 13.295 6.902 ( -10.679 7.068 2.444) 13.037 7.190 ( -7.356 2.557 4.925) 9.215 7.579 ( -7.896 1.050 -7.710) 11.086 8.072 ( 8.250 2.957 19.970) 21.808 8.377 ( 3.392 -0.698 -4.552) 5.719 8.576 ( 12.049 10.519 -0.021) 15.994 8.882 ( -0.506 -9.779 8.176) 12.757 8.961 ( 1.288 -4.144 -7.080) 8.304 9.588 ( -13.039 -4.033 11.661) 17.952 10.180 ( -1.929 13.704 -2.209) 14.015 10.481 ( -2.115 1.014 9.929) 10.203 10.784 ( 11.060 6.331 -9.655) 15.988 11.024 ( -15.392 -4.632 -12.679) 20.473 11.888 ( -21.451 -4.929 6.295) 22.893 12.423 ( -12.312 8.989 -3.548) 15.651 13.405 ( 15.415 1.483 0.188) 15.487 14.083 ( 4.644 -11.640 3.703) 13.068 14.534 ( 3.364 1.597 -9.287) 10.006 14.879 ( -2.208 -5.956 -3.335) 7.174======================= Grid point 213 (71/180) =======================q-point: ( 0.36 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 21.122 -0.870 -1.473) 21.191 2.425 ( 20.769 0.275 8.636) 22.495 2.972 ( -12.338 -4.021 -7.040) 14.763 3.319 ( -8.651 7.000 -2.277) 11.359 3.482 ( 6.417 -0.615 -2.666) 6.976 3.560 ( 3.760 4.790 -5.269) 8.053 3.634 ( 3.273 0.132 -4.103) 5.250 3.952 ( -3.840 4.140 -8.633) 10.316 4.456 ( 1.481 -10.618 -2.409) 10.988 4.679 ( 1.019 -10.319 0.401) 10.377 5.106 ( 12.647 7.501 9.680) 17.605 5.351 ( 1.873 1.601 -2.262) 3.345 5.677 ( -6.184 -4.395 -3.809) 8.489 5.763 ( -3.416 -2.061 1.266) 4.186 5.909 ( -4.478 -2.124 2.763) 5.674 6.296 ( 10.892 11.079 -10.548) 18.779 6.611 ( -14.388 6.484 3.913) 16.259 6.873 ( 1.923 -3.186 5.744) 6.844 7.097 ( -0.875 3.620 5.985) 7.049 7.436 ( -6.971 1.837 0.080) 7.209 8.226 ( 7.300 3.129 20.335) 21.831 8.454 ( 4.190 -4.213 -2.117) 6.308 8.736 ( -7.651 -2.818 24.892) 26.193 8.817 ( 12.500 12.050 0.663) 17.375 9.055 ( 1.740 -3.115 -9.956) 10.576 9.337 ( -11.269 -3.409 7.484) 13.950 10.095 ( -4.046 10.084 0.455) 10.875 10.453 ( -4.695 -3.921 0.972) 6.194 10.780 ( -4.693 -3.078 -5.847) 8.105 11.100 ( 16.461 6.943 -13.988) 22.690 11.482 ( -18.584 -0.215 3.643) 18.939 12.156 ( -15.037 9.189 -6.643) 18.834 13.688 ( 13.425 -0.564 0.358) 13.441 14.128 ( -0.266 -7.903 3.565) 8.674 14.598 ( 3.447 -1.991 -9.040) 9.877 14.823 ( -3.488 -6.279 -4.123) 8.282======================= Grid point 214 (72/180) =======================q-point: ( 0.45 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.337 ( 19.472 -2.043 -5.362) 20.299 2.684 ( -15.311 -3.971 -6.512) 17.106 2.808 ( 16.677 1.086 3.767) 17.132 3.108 ( -13.223 3.331 -0.054) 13.637 3.560 ( 2.877 -1.960 -3.661) 5.052 3.595 ( -0.080 0.337 -7.218) 7.227 3.741 ( 5.750 5.873 -3.068) 8.773 3.850 ( -5.802 5.273 -3.278) 8.497 4.528 ( 6.178 -11.109 -5.624) 13.900 4.649 ( -4.734 -11.422 -2.915) 12.703 5.265 ( 5.216 -1.981 2.348) 6.053 5.370 ( -4.217 -5.212 1.597) 6.892 5.642 ( 4.747 -1.154 0.865) 4.961 5.703 ( -1.971 -6.746 3.389) 7.803 5.941 ( 7.806 11.840 1.299) 14.241 6.211 ( -16.793 14.360 5.398) 22.745 6.605 ( 11.089 3.487 -8.578) 14.447 6.801 ( -8.034 -0.367 -5.086) 9.515 7.170 ( 6.445 2.188 9.802) 11.934 7.302 ( -6.887 2.027 6.312) 9.559 8.352 ( 5.917 1.697 18.258) 19.268 8.461 ( -4.566 -3.620 12.704) 13.976 8.722 ( 7.620 -1.298 14.161) 16.134 8.932 ( -11.763 -4.094 7.841) 14.718 9.048 ( 10.625 10.606 0.223) 15.014 9.204 ( -5.254 5.091 -2.275) 7.661 10.093 ( 4.725 2.472 -3.992) 6.661 10.265 ( -11.606 -3.058 -6.255) 13.535 10.849 ( 9.414 -1.641 1.402) 9.659 11.090 ( -14.402 -2.744 3.235) 15.014 11.503 ( 17.322 10.237 -13.362) 24.153 11.844 ( -17.056 9.289 -10.314) 21.990 13.917 ( 10.013 -2.245 1.375) 10.353 14.070 ( -5.588 -4.474 2.682) 7.645 14.670 ( 3.968 -4.783 -7.577) 9.800 14.749 ( -4.014 -6.025 -5.662) 9.191======================= Grid point 220 (73/180) =======================q-point: ( 0.00 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( 0.000 15.753 19.467) 25.043 1.632 ( 0.000 21.218 19.220) 28.628 2.709 ( 0.000 28.595 24.781) 37.838 3.308 ( 0.000 -19.741 -9.442) 21.883 3.429 ( 0.000 -6.149 3.428) 7.040 3.774 ( 0.000 -3.619 -13.095) 13.586 3.800 ( 0.000 16.050 3.503) 16.428 3.930 ( 0.000 0.366 10.028) 10.034 4.149 ( 0.000 17.015 5.498) 17.881 4.711 ( 0.000 8.280 -24.076) 25.460 4.828 ( 0.000 15.619 -7.900) 17.503 5.265 ( 0.000 1.099 -8.360) 8.432 5.566 ( 0.000 0.387 0.316) 0.499 5.995 ( 0.000 -16.339 14.683) 21.967 6.260 ( 0.000 18.332 -10.327) 21.041 6.309 ( 0.000 -5.932 9.353) 11.075 6.884 ( 0.000 4.836 15.779) 16.504 7.239 ( 0.000 -8.834 -10.568) 13.774 7.466 ( 0.000 0.979 13.735) 13.770 7.661 ( 0.000 -7.720 -0.773) 7.758 7.794 ( 0.000 -8.233 -12.976) 15.368 8.132 ( 0.000 -11.953 -14.985) 19.168 8.250 ( 0.000 17.910 2.680) 18.109 8.738 ( 0.000 11.180 8.445) 14.012 8.891 ( 0.000 7.244 -19.368) 20.678 9.974 ( 0.000 -3.247 11.839) 12.276 10.077 ( 0.000 11.954 -10.840) 16.137 10.644 ( 0.000 3.088 7.878) 8.462 11.439 ( 0.000 -7.660 5.820) 9.621 11.879 ( 0.000 -14.619 -7.275) 16.329 12.074 ( 0.000 -10.981 -0.400) 10.988 12.116 ( 0.000 -2.474 -14.429) 14.639 13.345 ( 0.000 6.870 12.026) 13.850 13.772 ( 0.000 -4.450 13.361) 14.082 14.361 ( 0.000 5.091 -4.827) 7.016 14.818 ( 0.000 -2.725 -4.286) 5.079======================= Grid point 221 (74/180) =======================q-point: ( 0.09 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( -0.118 19.252 18.317) 26.574 1.581 ( 2.401 16.463 20.283) 26.234 2.854 ( 12.535 23.689 18.346) 32.479 3.301 ( -0.748 -17.773 -10.398) 20.605 3.421 ( -0.597 -6.172 2.434) 6.661 3.729 ( -0.627 11.062 -2.768) 11.420 3.857 ( -4.756 -0.464 7.897) 9.231 3.915 ( 4.216 5.197 -8.224) 10.603 4.136 ( 0.156 13.140 4.766) 13.979 4.715 ( 0.422 7.630 -18.983) 20.463 4.953 ( 11.416 12.311 -6.993) 18.188 5.205 ( -6.943 -0.016 -3.719) 7.876 5.544 ( -0.432 0.050 -2.638) 2.674 6.023 ( 2.755 -9.775 12.004) 15.724 6.182 ( -7.062 1.522 2.969) 7.810 6.381 ( 6.195 5.469 -3.138) 8.839 6.692 ( -15.404 0.241 7.654) 17.202 7.271 ( -1.885 -2.572 -0.606) 3.246 7.433 ( -1.101 0.777 8.176) 8.286 7.673 ( 1.606 -5.545 1.273) 5.912 7.897 ( 6.720 -6.648 -10.167) 13.882 8.176 ( 5.484 -10.211 -15.932) 19.702 8.289 ( 3.758 14.470 4.791) 15.699 8.697 ( -1.251 13.692 -0.554) 13.760 8.931 ( 1.783 1.567 -6.891) 7.288 9.897 ( -6.423 -3.888 10.776) 13.134 10.156 ( 6.179 11.144 -8.855) 15.518 10.652 ( 1.309 4.724 5.443) 7.325 11.215 ( -17.731 -1.235 7.248) 19.195 11.574 ( -19.872 -10.673 -11.906) 25.506 12.146 ( 3.592 -12.624 1.658) 13.229 12.413 ( 16.923 -4.786 -11.286) 20.897 13.321 ( -2.210 8.841 10.100) 13.603 13.701 ( -4.217 -6.109 12.001) 14.111 14.429 ( 5.131 3.031 -4.619) 7.540 14.811 ( -0.781 -3.973 -4.012) 5.700======================= Grid point 222 (75/180) =======================q-point: ( 0.18 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 2.106 17.173 17.252) 24.433 1.787 ( 14.538 10.288 15.605) 23.680 3.098 ( 10.205 13.321 5.807) 17.757 3.278 ( -1.322 -13.205 -11.662) 17.667 3.423 ( 1.284 -4.830 2.482) 5.580 3.674 ( -4.522 10.191 -0.408) 11.157 3.767 ( -5.042 7.197 0.697) 8.815 4.009 ( 6.776 -0.264 -6.727) 9.552 4.174 ( 2.570 7.872 -1.440) 8.406 4.719 ( -1.689 3.541 -6.074) 7.230 5.035 ( -6.766 0.797 0.415) 6.825 5.201 ( 11.918 5.450 -5.895) 14.370 5.570 ( 2.546 2.189 -3.540) 4.879 5.997 ( -9.946 -7.134 7.045) 14.123 6.108 ( 4.244 0.210 3.620) 5.582 6.370 ( -15.381 -1.755 2.511) 15.683 6.528 ( 7.656 4.222 -3.781) 9.526 7.173 ( -6.801 0.922 2.916) 7.457 7.380 ( -4.978 3.352 7.360) 9.496 7.690 ( -1.641 -2.593 -5.462) 6.265 8.001 ( 5.792 1.805 5.774) 8.375 8.305 ( 4.465 -5.501 -11.828) 13.788 8.423 ( 11.517 3.395 -0.324) 12.011 8.742 ( 5.199 10.624 0.171) 11.829 8.928 ( -1.422 -0.424 -0.483) 1.560 9.736 ( -10.188 -4.913 12.781) 17.067 10.270 ( 4.541 5.789 -4.565) 8.659 10.725 ( 6.442 10.164 -1.512) 12.128 10.879 ( -15.324 4.740 7.917) 17.888 11.206 ( -17.296 -8.803 -14.435) 24.187 12.087 ( -9.850 -8.257 5.642) 14.037 12.646 ( 5.018 -0.719 -9.472) 10.743 13.305 ( 2.752 9.821 5.984) 11.825 13.696 ( 3.795 -12.700 7.496) 15.228 14.512 ( 2.993 0.976 -4.719) 5.673 14.783 ( -2.089 -6.434 -3.570) 7.649======================= Grid point 223 (76/180) =======================q-point: ( 0.27 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( 13.144 7.916 9.768) 18.189 2.100 ( 17.207 6.126 12.291) 22.016 3.112 ( -7.479 -2.429 -8.804) 11.804 3.319 ( 3.223 -5.190 -1.042) 6.198 3.486 ( 4.899 -5.178 -1.612) 7.308 3.624 ( -1.326 7.156 -1.824) 7.503 3.667 ( -2.679 13.500 -2.540) 13.995 4.096 ( 0.430 3.748 -18.762) 19.137 4.253 ( 5.459 -1.439 5.145) 7.639 4.583 ( -9.683 -4.551 2.121) 10.907 5.043 ( 5.600 2.499 3.954) 7.296 5.358 ( 3.414 2.630 -2.889) 5.188 5.617 ( 0.207 -2.340 -1.324) 2.697 5.817 ( -6.655 -3.266 3.977) 8.413 6.045 ( -9.520 -0.857 -2.616) 9.910 6.286 ( 7.312 4.361 1.090) 8.583 6.678 ( 6.903 1.996 -4.139) 8.293 7.024 ( -8.227 4.233 6.596) 11.362 7.258 ( -6.893 4.686 2.961) 8.845 7.609 ( -5.702 1.356 -1.023) 5.949 8.139 ( 7.691 3.522 15.257) 17.445 8.367 ( 2.712 -0.788 -7.450) 7.968 8.664 ( 11.057 -4.041 -1.737) 11.899 8.793 ( -0.727 -2.205 8.499) 8.811 8.973 ( 7.506 12.631 -7.590) 16.538 9.508 ( -12.838 -4.315 14.670) 19.966 10.312 ( -0.547 -0.017 -1.365) 1.470 10.603 ( -11.004 8.908 11.365) 18.155 10.827 ( -6.301 -5.495 -7.364) 11.141 11.027 ( 7.090 9.504 -16.166) 20.048 11.812 ( -16.605 -2.604 6.197) 17.914 12.595 ( -8.625 7.633 -7.159) 13.560 13.453 ( 10.936 3.222 1.582) 11.510 13.807 ( 6.400 -15.220 3.929) 16.972 14.545 ( 0.633 -0.841 -5.138) 5.244 14.730 ( -3.282 -8.421 -3.559) 9.713======================= Grid point 224 (77/180) =======================q-point: ( 0.36 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 18.176 0.653 2.319) 18.335 2.436 ( 16.856 1.157 9.609) 19.437 2.915 ( -11.663 -1.993 -7.981) 14.272 3.300 ( -6.030 -10.194 5.749) 13.166 3.540 ( 0.271 5.806 -9.359) 11.018 3.599 ( 1.602 1.821 -7.057) 7.462 3.745 ( 7.216 9.559 -3.362) 12.440 4.068 ( -3.167 6.370 -13.922) 15.634 4.273 ( -2.128 -7.559 -0.973) 7.913 4.482 ( -1.237 -8.416 2.811) 8.959 5.145 ( 3.489 -3.146 4.944) 6.820 5.343 ( -4.433 -2.583 1.101) 5.248 5.553 ( -3.064 -8.159 -0.462) 8.727 5.708 ( -5.935 -1.582 -0.770) 6.190 6.033 ( 7.782 12.956 -0.411) 15.119 6.463 ( 9.995 2.616 -1.159) 10.396 6.716 ( -6.085 6.595 -5.029) 10.287 6.903 ( -2.623 4.750 6.791) 8.693 7.151 ( -2.456 2.872 3.670) 5.268 7.488 ( -6.729 2.861 5.380) 9.078 8.280 ( 6.631 1.866 16.642) 18.011 8.412 ( 1.709 0.433 -4.546) 4.876 8.716 ( -0.912 1.125 18.496) 18.552 8.912 ( 8.701 -5.684 -13.887) 17.345 9.113 ( 3.249 10.670 1.451) 11.248 9.281 ( -7.240 -1.039 10.322) 12.651 10.233 ( -6.268 0.190 -2.984) 6.944 10.435 ( -8.173 5.227 8.693) 13.027 10.714 ( -0.476 -3.309 -3.998) 5.211 11.213 ( 2.170 3.164 -3.299) 5.060 11.557 ( -3.082 8.768 -5.441) 10.770 12.368 ( -13.968 11.483 -8.380) 19.929 13.672 ( 10.769 -1.230 0.708) 10.862 13.911 ( 3.788 -13.419 2.985) 14.259 14.547 ( -0.150 -3.352 -5.927) 6.811 14.661 ( -3.687 -9.390 -4.221) 10.935======================= Grid point 225 (78/180) =======================q-point: ( 0.45 0.22 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.288 ( 17.744 -3.080 -2.767) 18.220 2.590 ( -10.744 -5.690 -3.328) 12.605 2.825 ( 11.928 0.827 5.132) 13.011 3.100 ( -13.445 -4.850 6.862) 15.855 3.571 ( 2.700 3.769 -8.774) 9.923 3.615 ( -0.915 1.170 -10.129) 10.238 3.877 ( 5.805 7.183 -5.147) 10.573 3.976 ( -5.073 6.680 -6.355) 10.523 4.305 ( 5.143 -10.420 -4.000) 12.289 4.421 ( -5.498 -10.078 -0.571) 11.495 5.181 ( 1.428 -6.610 1.093) 6.850 5.239 ( -4.778 -6.543 -1.011) 8.165 5.551 ( 2.327 -6.188 2.663) 7.127 5.616 ( -3.864 -3.171 -0.414) 5.016 6.246 ( 12.984 17.168 2.077) 21.625 6.506 ( -13.106 14.052 0.625) 19.225 6.656 ( 9.526 1.820 -2.091) 9.921 6.820 ( -6.923 1.907 -0.948) 7.243 7.203 ( 6.472 1.590 7.482) 10.020 7.347 ( -7.686 2.221 7.881) 11.231 8.386 ( 3.913 0.953 11.346) 12.039 8.426 ( -0.424 1.542 2.331) 2.827 8.748 ( 4.831 3.191 16.390) 17.383 8.895 ( -8.972 -0.230 10.654) 13.930 9.172 ( 6.882 -0.675 -5.250) 8.682 9.263 ( -1.130 2.786 -5.356) 6.142 10.163 ( 0.716 3.430 -0.715) 3.576 10.263 ( -8.344 4.979 3.034) 10.179 10.811 ( 9.147 -2.096 2.371) 9.679 11.035 ( -13.153 -2.617 5.005) 14.314 11.753 ( 16.002 14.449 -13.807) 25.602 12.072 ( -16.216 13.156 -11.164) 23.679 13.849 ( 7.113 -4.820 1.616) 8.743 13.936 ( -1.568 -9.199 2.671) 9.707 14.553 ( 1.148 -6.612 -6.265) 9.180 14.595 ( -2.974 -8.961 -5.392) 10.873======================= Grid point 231 (79/180) =======================q-point: ( 0.00 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( 0.000 15.985 14.788) 21.776 2.046 ( 0.000 20.008 14.651) 24.799 2.935 ( 0.000 -17.775 -3.671) 18.151 3.204 ( 0.000 1.768 9.038) 9.210 3.279 ( 0.000 8.703 8.548) 12.199 3.706 ( 0.000 -3.365 -8.446) 9.092 3.941 ( 0.000 8.630 11.084) 14.048 4.276 ( 0.000 24.671 -0.691) 24.680 4.501 ( 0.000 18.074 4.182) 18.551 4.787 ( 0.000 -1.557 -18.815) 18.879 5.045 ( 0.000 4.214 -12.254) 12.959 5.357 ( 0.000 8.476 -4.272) 9.492 5.567 ( 0.000 -0.162 -1.975) 1.982 5.648 ( 0.000 -18.179 13.238) 22.488 6.192 ( 0.000 -4.735 6.619) 8.138 6.561 ( 0.000 9.654 -7.637) 12.310 6.988 ( 0.000 6.221 11.659) 13.215 7.035 ( 0.000 -8.335 -11.836) 14.476 7.489 ( 0.000 0.791 14.382) 14.404 7.516 ( 0.000 -7.134 2.949) 7.719 7.606 ( 0.000 -10.289 -11.944) 15.765 7.880 ( 0.000 -13.222 -14.069) 19.307 8.702 ( 0.000 26.424 2.587) 26.551 8.875 ( 0.000 4.842 14.673) 15.451 8.986 ( 0.000 2.198 -10.439) 10.667 9.908 ( 0.000 -4.883 8.458) 9.766 10.387 ( 0.000 17.015 -12.244) 20.962 10.664 ( 0.000 -0.678 3.023) 3.098 11.317 ( 0.000 -3.830 7.184) 8.141 11.582 ( 0.000 -14.572 -6.988) 16.161 11.908 ( 0.000 -6.115 -6.335) 8.805 12.036 ( 0.000 -5.749 -19.188) 20.031 13.461 ( 0.000 4.898 14.059) 14.888 13.683 ( 0.000 -4.391 15.419) 16.032 14.462 ( 0.000 5.212 -4.033) 6.590 14.752 ( 0.000 -3.940 -4.038) 5.641======================= Grid point 232 (80/180) =======================q-point: ( 0.09 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( 6.386 15.298 13.509) 21.385 1.982 ( -5.541 21.756 15.436) 27.245 2.944 ( 1.114 -17.389 -4.803) 18.074 3.198 ( -0.934 -6.257 7.278) 9.643 3.330 ( 4.671 12.060 6.013) 14.262 3.753 ( 5.184 -1.460 -5.527) 7.717 3.945 ( -1.461 7.315 4.982) 8.970 4.221 ( -4.665 21.286 -2.770) 21.967 4.426 ( -5.566 14.921 2.122) 16.066 4.794 ( 0.407 -0.376 -13.140) 13.152 5.113 ( 1.729 0.606 -3.568) 4.011 5.261 ( -5.153 5.831 -3.796) 8.658 5.550 ( 3.040 1.562 -4.311) 5.501 5.783 ( 7.552 -11.168 11.854) 17.952 6.119 ( -6.425 -4.816 4.133) 9.031 6.507 ( -7.812 -1.713 -4.607) 9.230 6.760 ( -7.500 11.121 -5.915) 14.660 7.199 ( 2.521 -2.582 2.407) 4.338 7.440 ( -0.120 -0.856 10.256) 10.293 7.568 ( 3.160 -5.629 0.798) 6.504 7.747 ( 11.252 -7.426 -2.314) 13.679 7.943 ( 6.793 -11.994 -15.820) 20.983 8.670 ( -2.953 19.471 -1.276) 19.735 8.851 ( -2.278 3.660 15.003) 15.610 9.038 ( 5.099 9.956 -7.167) 13.285 9.831 ( -7.408 -3.626 9.045) 12.241 10.366 ( -1.791 8.238 -5.644) 10.145 10.729 ( 5.639 3.384 -2.010) 6.877 11.170 ( -12.842 -5.138 4.433) 14.524 11.394 ( -13.993 -3.979 -11.880) 18.782 11.910 ( 3.385 -11.334 -0.651) 11.846 12.318 ( 17.722 -4.992 -16.353) 24.625 13.411 ( -4.192 -0.040 14.256) 14.859 13.658 ( -2.125 2.025 12.751) 13.084 14.475 ( 0.998 1.874 -3.733) 4.294 14.733 ( -1.883 -3.772 -3.836) 5.700======================= Grid point 233 (81/180) =======================q-point: ( 0.18 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( -3.455 22.149 14.785) 26.853 2.010 ( 10.798 12.554 11.135) 19.955 2.974 ( 1.541 -15.617 -7.787) 17.519 3.166 ( -2.310 -11.962 6.097) 13.624 3.427 ( 4.721 9.755 0.617) 10.855 3.833 ( -3.591 8.000 0.940) 8.819 3.925 ( 6.426 2.564 -6.699) 9.631 4.106 ( -6.538 11.859 -4.922) 14.409 4.336 ( -4.266 7.958 -3.672) 9.747 4.769 ( -6.317 1.752 -2.237) 6.927 4.982 ( -4.713 -5.612 3.878) 8.291 5.349 ( 6.980 7.192 -4.605) 11.030 5.614 ( 0.805 1.693 -0.927) 2.091 5.846 ( -2.677 -5.979 7.375) 9.864 6.056 ( 3.500 -2.775 2.681) 5.210 6.280 ( -11.618 -7.278 -3.078) 14.051 6.741 ( 3.030 14.527 -10.925) 18.428 7.164 ( -3.927 -0.492 4.369) 5.895 7.426 ( -2.765 -0.007 9.324) 9.726 7.621 ( 1.363 -4.207 0.138) 4.424 7.981 ( 12.164 -2.920 5.044) 13.488 8.135 ( 11.727 -8.574 -15.499) 21.243 8.611 ( -2.298 10.026 -7.449) 12.700 8.797 ( -2.910 1.848 15.448) 15.828 9.168 ( 7.765 17.847 -3.786) 19.828 9.644 ( -11.289 -4.029 12.126) 17.050 10.325 ( -2.427 0.011 0.414) 2.462 10.808 ( -1.811 -3.609 -5.703) 6.988 10.902 ( -11.158 -3.232 1.453) 11.707 11.206 ( -3.014 11.800 -10.636) 16.169 11.918 ( -3.974 -9.271 3.047) 10.537 12.609 ( 11.000 -2.501 -14.393) 18.287 13.353 ( -0.499 -6.982 11.316) 13.306 13.624 ( -0.742 7.238 8.551) 11.228 14.484 ( -0.294 -3.911 -3.676) 5.376 14.682 ( -3.259 -3.225 -3.397) 5.706======================= Grid point 234 (82/180) =======================q-point: ( 0.27 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.856 ( 3.316 15.915 12.143) 20.291 2.246 ( 12.733 8.614 7.920) 17.293 2.971 ( -3.169 -11.337 -8.761) 14.674 3.113 ( -2.542 -14.652 5.039) 15.701 3.494 ( 2.143 5.931 -3.073) 7.016 3.780 ( 0.135 8.183 -3.758) 9.006 3.941 ( -5.030 12.619 -4.354) 14.265 4.105 ( 3.694 -2.468 -11.948) 12.747 4.255 ( -2.258 0.333 -2.617) 3.473 4.544 ( -13.069 0.053 1.473) 13.152 5.004 ( 2.938 -4.619 3.244) 6.363 5.426 ( 0.755 1.384 -0.687) 1.720 5.500 ( -10.790 -5.267 1.295) 12.076 5.793 ( -3.750 -0.305 3.885) 5.408 6.133 ( 3.722 7.531 -8.282) 11.797 6.239 ( 8.462 -5.850 8.074) 13.077 6.825 ( 4.794 10.652 -12.198) 16.889 7.079 ( -4.719 1.991 8.176) 9.648 7.330 ( -6.633 1.165 3.161) 7.440 7.611 ( -2.454 -1.030 5.079) 5.734 8.197 ( 9.478 2.046 9.833) 13.809 8.336 ( 7.783 -2.277 -9.609) 12.574 8.621 ( 4.380 -1.285 -14.738) 15.429 8.756 ( -0.981 2.143 14.218) 14.412 9.310 ( 5.541 17.823 -4.108) 19.111 9.415 ( -11.403 -5.263 17.167) 21.271 10.262 ( -4.197 -4.048 0.765) 5.881 10.652 ( -6.538 -5.387 -1.943) 8.691 10.766 ( -7.449 2.412 2.801) 8.315 11.270 ( 5.580 12.624 -7.103) 15.522 11.780 ( -7.592 -0.777 0.094) 7.632 12.704 ( -1.571 3.458 -11.933) 12.522 13.413 ( 6.371 -11.300 6.185) 14.371 13.648 ( 3.099 3.764 5.185) 7.117 14.462 ( -1.903 -8.198 -4.344) 9.471 14.611 ( -3.993 -2.673 -3.211) 5.779======================= Grid point 235 (83/180) =======================q-point: ( 0.36 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( 9.983 5.676 7.858) 13.915 2.471 ( 8.712 1.660 5.380) 10.373 2.849 ( -7.108 -6.105 -3.521) 10.009 3.072 ( -2.584 -10.800 1.972) 11.279 3.539 ( 2.920 0.217 -7.302) 7.867 3.764 ( -3.850 8.923 -4.225) 10.597 3.902 ( 1.907 4.097 -8.175) 9.341 4.112 ( 0.703 -1.138 -8.666) 8.768 4.224 ( -6.136 2.966 -5.894) 9.011 4.365 ( -3.335 -4.015 3.607) 6.345 5.032 ( 0.078 -6.208 0.272) 6.215 5.289 ( -9.736 -5.399 -1.773) 11.273 5.418 ( -0.144 -2.113 2.222) 3.070 5.681 ( -6.672 -1.796 -0.048) 6.909 6.304 ( 11.966 10.759 4.433) 16.691 6.432 ( 10.404 -1.119 -0.272) 10.467 6.883 ( -0.716 8.622 -8.855) 12.380 6.984 ( -5.076 2.933 8.627) 10.430 7.211 ( -3.553 2.353 2.209) 4.800 7.527 ( -6.069 1.026 8.111) 10.182 8.338 ( 5.410 4.835 8.207) 10.954 8.445 ( 4.103 2.111 -2.036) 5.043 8.761 ( 2.663 0.257 4.935) 5.613 8.774 ( 8.508 -4.738 -10.354) 14.215 9.182 ( -10.026 -1.839 18.293) 20.941 9.379 ( -1.223 7.257 -5.120) 8.966 10.196 ( -0.950 -0.738 0.799) 1.444 10.567 ( -6.658 5.328 10.930) 13.863 10.661 ( 0.851 -1.636 -3.178) 3.674 11.236 ( -10.095 0.094 7.598) 12.635 11.786 ( 9.363 12.947 -14.413) 21.518 12.576 ( -10.495 9.156 -11.435) 18.021 13.563 ( 8.074 -12.704 3.655) 15.491 13.721 ( 3.569 -2.000 3.762) 5.558 14.422 ( -1.761 -9.505 -5.374) 11.060 14.530 ( -4.223 -3.047 -3.814) 6.455======================= Grid point 236 (84/180) =======================q-point: ( 0.45 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.219 ( 12.969 -3.445 4.052) 14.017 2.457 ( -9.887 -8.128 2.204) 12.987 2.845 ( 6.813 1.232 1.592) 7.104 2.988 ( -6.294 -4.517 2.240) 8.065 3.603 ( 3.509 -0.923 -9.825) 10.473 3.676 ( -4.242 3.454 -8.511) 10.118 3.964 ( 4.309 0.512 -4.298) 6.108 4.074 ( -6.979 2.903 -3.974) 8.539 4.184 ( 5.644 -0.307 -5.056) 7.584 4.299 ( -5.161 -2.377 -3.044) 6.446 5.046 ( 2.385 -5.657 -1.932) 6.436 5.133 ( -6.377 -4.842 -3.094) 8.584 5.453 ( 3.814 -3.356 2.394) 5.616 5.554 ( -6.183 -3.065 1.170) 6.999 6.541 ( 11.464 9.908 6.414) 16.454 6.622 ( 7.730 1.836 -9.071) 12.059 6.788 ( -6.340 8.676 10.145) 14.778 6.852 ( -8.429 1.798 -0.731) 8.650 7.246 ( 5.934 2.677 4.568) 7.952 7.387 ( -7.832 1.920 7.094) 10.740 8.431 ( 4.273 4.148 3.440) 6.878 8.484 ( -0.526 3.526 1.275) 3.786 8.814 ( 3.772 2.658 13.107) 13.895 8.889 ( -1.362 -1.563 2.329) 3.119 9.100 ( 5.230 -3.893 1.691) 6.736 9.272 ( -8.923 -2.087 -9.361) 13.100 10.253 ( 6.211 5.881 4.700) 9.760 10.405 ( -8.730 7.303 7.670) 13.725 10.773 ( 9.117 -1.665 3.649) 9.960 10.992 ( -12.941 -1.697 7.495) 15.051 12.040 ( 14.923 14.244 -15.253) 25.657 12.329 ( -14.307 12.450 -13.135) 23.070 13.698 ( 5.354 -11.397 3.526) 13.076 13.756 ( -0.424 -7.322 3.761) 8.243 14.410 ( 0.812 -7.620 -5.908) 9.676 14.454 ( -3.430 -4.756 -5.077) 7.756======================= Grid point 242 (85/180) =======================q-point: ( 0.00 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( 0.000 15.931 8.258) 17.944 2.297 ( 0.000 -0.967 6.421) 6.494 2.719 ( 0.000 2.141 7.870) 8.156 2.952 ( 0.000 -15.278 10.154) 18.345 3.538 ( 0.000 7.645 -0.413) 7.656 3.638 ( 0.000 -3.793 -4.787) 6.107 4.258 ( 0.000 21.138 6.629) 22.153 4.630 ( 0.000 -14.494 -6.868) 16.039 4.728 ( 0.000 19.257 -3.886) 19.645 4.856 ( 0.000 19.309 5.589) 20.102 4.996 ( 0.000 -8.526 -7.198) 11.158 5.247 ( 0.000 -19.152 8.599) 20.994 5.533 ( 0.000 3.354 -5.448) 6.397 5.561 ( 0.000 -0.482 -4.473) 4.499 6.219 ( 0.000 9.186 2.776) 9.596 6.483 ( 0.000 -14.110 -1.664) 14.208 7.090 ( 0.000 10.499 -8.279) 13.370 7.131 ( 0.000 7.574 5.083) 9.121 7.367 ( 0.000 -8.221 -1.016) 8.283 7.381 ( 0.000 -9.691 -4.518) 10.693 7.539 ( 0.000 2.820 4.553) 5.355 7.650 ( 0.000 -9.125 -7.076) 11.547 8.931 ( 0.000 3.274 6.370) 7.162 8.984 ( 0.000 -1.888 -0.226) 1.901 9.258 ( 0.000 26.786 7.602) 27.844 9.704 ( 0.000 -17.218 6.794) 18.510 10.639 ( 0.000 6.745 -6.463) 9.341 10.665 ( 0.000 1.251 -2.238) 2.564 11.293 ( 0.000 0.779 5.072) 5.132 11.358 ( 0.000 -7.195 -2.999) 7.795 11.843 ( 0.000 -0.097 -15.080) 15.080 11.909 ( 0.000 -6.177 -21.209) 22.090 13.540 ( 0.000 3.465 15.751) 16.128 13.606 ( 0.000 -3.501 16.394) 16.764 14.565 ( 0.000 5.300 -3.750) 6.493 14.665 ( 0.000 -4.867 -3.815) 6.184======================= Grid point 243 (86/180) =======================q-point: ( 0.09 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( 4.897 14.888 7.167) 17.234 2.300 ( -0.135 4.238 7.190) 8.347 2.704 ( -0.869 -0.945 6.147) 6.280 2.929 ( -2.457 -15.858 10.415) 19.131 3.537 ( 0.917 5.170 -3.859) 6.517 3.718 ( 7.138 -1.660 -2.612) 7.780 4.209 ( -5.264 16.879 3.484) 18.020 4.513 ( -10.107 1.714 -8.410) 13.260 4.632 ( -11.718 0.776 -4.180) 12.466 4.791 ( 2.244 8.719 0.955) 9.054 5.053 ( -5.332 -3.541 5.376) 8.359 5.275 ( 5.814 -5.148 1.147) 7.849 5.570 ( 7.308 -1.231 -0.572) 7.433 5.671 ( 6.231 0.161 -1.990) 6.543 6.120 ( -7.712 6.309 -1.792) 10.123 6.345 ( -11.906 -11.453 -2.345) 16.686 7.037 ( -1.895 13.656 -6.598) 15.284 7.191 ( 0.483 0.566 0.774) 1.074 7.369 ( -0.048 -7.581 3.043) 8.169 7.454 ( 6.631 -3.568 1.147) 7.617 7.659 ( 11.464 -1.117 6.574) 13.262 7.748 ( 10.085 -6.679 -12.642) 17.496 8.810 ( -7.829 0.549 -0.283) 7.853 9.006 ( -1.248 5.022 5.648) 7.660 9.330 ( 6.444 20.153 6.706) 22.195 9.683 ( -2.559 -13.276 7.641) 15.531 10.472 ( -9.431 3.605 -3.501) 10.686 10.771 ( 1.926 -0.064 -4.367) 4.774 11.030 ( -14.492 -5.134 -3.725) 15.819 11.465 ( 1.302 7.783 -0.964) 7.950 11.705 ( -1.144 -9.277 -8.479) 12.620 12.233 ( 18.999 -2.826 -19.610) 27.450 13.383 ( -9.630 -1.258 16.903) 19.495 13.713 ( 4.982 2.006 13.772) 14.782 14.505 ( -5.130 1.041 -5.134) 7.332 14.673 ( -0.005 -1.941 -2.683) 3.312======================= Grid point 244 (87/180) =======================q-point: ( 0.18 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.239 ( 4.412 13.209 6.040) 15.180 2.283 ( 0.718 13.421 8.413) 15.856 2.711 ( 1.600 -7.899 1.620) 8.220 2.860 ( -4.038 -16.782 9.505) 19.705 3.582 ( 3.275 4.482 -7.090) 9.005 3.886 ( 9.407 -1.450 -1.875) 9.701 4.068 ( -8.211 11.234 -1.051) 13.954 4.295 ( -11.317 4.823 -6.896) 14.103 4.400 ( -11.463 -3.246 -6.797) 13.716 4.816 ( -9.509 2.729 2.517) 10.208 4.893 ( 0.610 -0.682 1.112) 1.440 5.359 ( -0.503 -5.545 4.431) 7.116 5.688 ( 1.156 7.186 0.181) 7.281 5.796 ( 6.644 -1.376 6.350) 9.293 6.021 ( -3.833 -2.116 1.111) 4.517 6.143 ( -2.163 -4.290 -11.511) 12.474 7.019 ( -0.101 12.365 -9.734) 15.737 7.159 ( -2.645 -0.961 -0.280) 2.829 7.354 ( -1.990 -6.149 7.984) 10.272 7.561 ( 3.774 -1.341 6.273) 7.443 7.928 ( 15.162 -1.716 8.577) 17.504 8.012 ( 15.378 -3.507 -14.098) 21.155 8.670 ( -6.119 -0.290 -6.214) 8.725 8.947 ( -4.152 7.455 6.054) 10.463 9.437 ( 1.468 6.884 13.111) 14.881 9.601 ( -4.046 0.261 2.727) 4.886 10.304 ( -7.537 -0.898 -0.816) 7.634 10.650 ( -9.526 -7.167 -8.377) 14.570 10.894 ( -2.966 0.482 2.066) 3.647 11.477 ( 1.413 13.414 -3.693) 13.984 11.723 ( 0.863 -10.640 -3.975) 11.391 12.565 ( 14.085 -1.566 -17.597) 22.594 13.227 ( -5.417 -3.810 15.015) 16.411 13.773 ( 1.310 5.251 10.931) 12.198 14.394 ( -5.751 -3.605 -6.678) 9.522 14.651 ( -2.293 -0.517 -1.793) 2.956======================= Grid point 245 (88/180) =======================q-point: ( 0.27 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( -3.097 17.448 10.473) 20.584 2.403 ( 5.518 4.536 4.683) 8.541 2.721 ( -0.956 -11.516 1.694) 11.679 2.833 ( 2.475 -11.312 1.413) 11.665 3.625 ( -0.039 5.147 -6.965) 8.660 3.931 ( -3.710 6.386 -4.932) 8.881 4.024 ( -3.191 -3.694 -4.212) 6.447 4.126 ( -0.932 5.329 -5.086) 7.425 4.227 ( -4.092 -3.545 -5.692) 7.855 4.558 ( -13.659 0.921 1.997) 13.835 4.954 ( 2.296 0.537 -2.805) 3.665 5.265 ( -7.170 -8.410 -0.079) 11.052 5.617 ( -7.705 9.000 2.855) 12.187 5.759 ( -6.844 -4.169 2.596) 8.424 6.091 ( 10.807 -4.568 9.046) 14.815 6.299 ( 12.643 4.649 -9.851) 16.688 7.027 ( 0.760 8.796 -11.284) 14.328 7.106 ( -3.017 0.316 3.815) 4.874 7.285 ( -4.779 -4.490 7.829) 10.213 7.594 ( -0.576 -0.360 7.917) 7.947 8.217 ( 13.949 0.330 9.799) 17.050 8.295 ( 13.152 -1.374 -10.560) 16.923 8.590 ( -1.658 -1.089 -13.649) 13.792 8.865 ( -3.836 5.674 5.548) 8.814 9.314 ( -10.146 -4.059 21.935) 24.506 9.581 ( -1.963 8.016 -6.982) 10.810 10.195 ( -2.625 -1.849 2.821) 4.274 10.549 ( -0.714 -3.650 -4.021) 5.477 10.807 ( -6.037 1.137 5.065) 7.962 11.447 ( -6.970 4.510 9.199) 12.391 11.784 ( 7.580 0.860 -15.900) 17.635 12.741 ( 3.310 0.722 -15.228) 15.601 13.207 ( 3.633 -6.602 10.508) 12.930 13.772 ( -1.186 5.525 8.528) 10.230 14.299 ( -3.753 -6.219 -7.618) 10.526 14.588 ( -4.129 -0.408 -1.861) 4.548======================= Grid point 246 (89/180) =======================q-point: ( 0.36 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( -0.417 11.681 10.013) 15.391 2.407 ( -4.684 -10.102 7.373) 13.355 2.766 ( 5.679 1.299 -1.625) 6.049 2.901 ( 3.243 -7.163 -4.187) 8.908 3.591 ( -1.960 3.785 -5.207) 6.729 3.844 ( -10.160 -3.034 -5.797) 12.084 3.908 ( 0.873 1.946 -3.669) 4.244 4.156 ( 2.529 3.417 -7.526) 8.644 4.269 ( 2.741 -0.355 -9.792) 10.175 4.312 ( -10.715 -0.384 5.127) 11.885 4.970 ( 0.006 0.204 -5.598) 5.601 5.134 ( -5.706 -7.185 -3.594) 9.854 5.470 ( -5.586 4.149 3.377) 7.735 5.630 ( -6.835 -3.000 2.478) 7.865 6.321 ( 12.314 -1.831 12.236) 17.456 6.550 ( 12.378 5.568 -10.327) 17.054 7.010 ( -6.706 2.344 12.353) 14.250 7.027 ( -2.867 2.971 -9.234) 10.115 7.221 ( 0.105 -0.928 3.683) 3.800 7.538 ( -4.995 0.265 7.907) 9.357 8.442 ( 8.136 4.256 7.264) 11.707 8.485 ( 5.675 1.708 -1.200) 6.047 8.645 ( 8.304 -4.422 -21.606) 23.566 8.811 ( -1.330 1.348 5.592) 5.904 9.138 ( -7.170 -1.793 24.195) 25.299 9.456 ( -10.279 1.176 -10.713) 14.894 10.224 ( 4.896 2.086 6.217) 8.183 10.594 ( 4.140 -0.835 4.161) 5.929 10.675 ( -6.608 1.539 3.548) 7.657 11.233 ( -13.430 -0.221 12.406) 18.284 11.998 ( 13.191 6.862 -19.076) 24.187 12.702 ( -6.443 3.330 -14.231) 15.973 13.335 ( 8.286 -7.491 7.029) 13.198 13.730 ( -3.323 1.166 7.359) 8.158 14.261 ( 0.122 -5.267 -7.864) 9.465 14.496 ( -5.174 -0.809 -2.918) 5.995======================= Grid point 247 (90/180) =======================q-point: ( 0.45 0.44 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.192 ( 3.417 1.547 8.854) 9.616 2.289 ( -6.254 -7.862 8.060) 12.880 2.879 ( 4.854 2.288 -3.952) 6.665 2.932 ( -0.406 -2.102 -5.141) 5.569 3.589 ( 2.113 0.030 -5.173) 5.588 3.676 ( -6.800 -2.233 -5.468) 9.007 3.966 ( 5.214 0.575 0.486) 5.268 4.105 ( -8.880 0.843 2.321) 9.217 4.225 ( 3.712 1.940 -11.360) 12.107 4.287 ( -1.982 0.084 -10.424) 10.611 4.987 ( 2.145 -0.407 -5.194) 5.634 5.046 ( -3.656 -3.649 -4.802) 7.053 5.427 ( 1.126 0.227 3.379) 3.569 5.501 ( -5.903 -2.028 3.151) 6.992 6.561 ( 12.277 -1.082 11.029) 16.539 6.740 ( 2.461 3.708 -15.942) 16.552 6.844 ( -4.447 0.845 21.863) 22.327 6.941 ( -6.175 3.522 -8.098) 10.776 7.289 ( 5.829 1.333 4.657) 7.579 7.418 ( -6.866 0.938 6.686) 9.630 8.524 ( 2.409 4.027 0.392) 4.709 8.552 ( 0.416 2.768 2.291) 3.617 8.822 ( 5.689 -2.565 -7.916) 10.081 8.830 ( 3.311 -1.800 2.661) 4.614 9.064 ( 1.447 -0.298 15.268) 15.339 9.227 ( -12.189 -1.485 -8.531) 14.951 10.352 ( 7.689 3.111 7.489) 11.175 10.508 ( -8.117 2.806 8.372) 11.994 10.750 ( 9.464 -0.604 4.529) 10.510 10.970 ( -12.907 -0.537 9.549) 16.065 12.266 ( 13.913 7.181 -17.933) 23.806 12.520 ( -11.761 5.772 -15.870) 20.579 13.498 ( 8.089 -6.732 6.429) 12.332 13.638 ( -6.123 -3.971 6.782) 9.963 14.302 ( 3.765 -2.935 -6.738) 8.257 14.393 ( -5.270 -1.534 -4.736) 7.250======================= Grid point 297 (91/180) =======================q-point: ( 0.00 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( 0.000 0.000 22.982) 22.982 1.621 ( 0.000 0.000 25.936) 25.936 2.598 ( 0.000 0.000 8.057) 8.057 3.352 ( 0.000 0.000 13.024) 13.024 3.411 ( 0.000 0.000 -26.097) 26.097 3.681 ( 0.000 0.000 0.528) 0.528 3.706 ( 0.000 0.000 -12.515) 12.515 3.801 ( 0.000 0.000 -19.104) 19.104 4.092 ( 0.000 0.000 16.666) 16.666 4.321 ( 0.000 0.000 17.158) 17.158 4.459 ( 0.000 0.000 2.000) 2.000 5.072 ( 0.000 0.000 -9.980) 9.980 5.566 ( 0.000 0.000 0.497) 0.497 5.819 ( 0.000 0.000 9.177) 9.177 6.496 ( 0.000 0.000 7.694) 7.694 6.759 ( 0.000 0.000 4.441) 4.441 7.009 ( 0.000 0.000 16.371) 16.371 7.176 ( 0.000 0.000 -14.596) 14.596 7.467 ( 0.000 0.000 -31.320) 31.320 7.498 ( 0.000 0.000 4.381) 4.381 7.733 ( 0.000 0.000 -8.513) 8.513 8.013 ( 0.000 0.000 -7.016) 7.016 8.187 ( 0.000 0.000 -9.347) 9.347 8.229 ( 0.000 0.000 -15.201) 15.201 8.398 ( 0.000 0.000 24.629) 24.629 9.929 ( 0.000 0.000 -6.205) 6.205 10.300 ( 0.000 0.000 9.560) 9.560 10.680 ( 0.000 0.000 4.339) 4.339 11.720 ( 0.000 0.000 4.764) 4.764 11.991 ( 0.000 0.000 -6.205) 6.205 12.171 ( 0.000 0.000 -2.170) 2.170 12.399 ( 0.000 0.000 -5.076) 5.076 13.319 ( 0.000 0.000 10.891) 10.891 14.087 ( 0.000 0.000 -7.040) 7.040 14.087 ( 0.000 0.000 10.863) 10.863 14.766 ( 0.000 0.000 -6.292) 6.292======================= Grid point 298 (92/180) =======================q-point: ( 0.09 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 11.738 0.000 21.161) 24.199 1.586 ( -2.348 0.000 26.061) 26.167 2.685 ( 8.213 0.000 3.871) 9.079 3.340 ( -0.890 0.000 10.074) 10.113 3.386 ( -2.833 0.000 -24.772) 24.933 3.606 ( -4.465 0.000 -4.538) 6.366 3.714 ( -9.746 0.000 -13.196) 16.405 3.725 ( -0.514 0.000 -8.435) 8.451 4.115 ( 8.423 0.000 13.714) 16.094 4.377 ( 5.687 0.000 15.579) 16.585 4.700 ( 18.522 0.000 0.388) 18.526 5.086 ( 0.493 0.000 -7.543) 7.560 5.551 ( -1.442 0.000 0.773) 1.636 5.728 ( -7.525 0.000 5.914) 9.571 6.589 ( 7.613 0.000 8.983) 11.775 6.594 ( -13.684 0.000 -0.147) 13.685 6.953 ( -5.096 0.000 15.763) 16.566 7.186 ( -5.818 0.000 -1.778) 6.083 7.352 ( -1.024 0.000 -4.380) 4.498 7.425 ( -3.947 0.000 -29.111) 29.377 8.000 ( 11.115 0.000 1.199) 11.180 8.043 ( 4.383 0.000 -5.438) 6.985 8.261 ( 10.579 0.000 -12.283) 16.211 8.327 ( 8.321 0.000 -15.761) 17.822 8.465 ( 8.690 0.000 18.354) 20.307 9.938 ( 0.948 0.000 -5.837) 5.913 10.251 ( -5.030 0.000 10.131) 11.311 10.665 ( -1.518 0.000 4.242) 4.506 11.401 ( -25.834 0.000 7.185) 26.814 11.646 ( -21.523 0.000 -6.195) 22.397 12.460 ( 14.256 0.000 -3.454) 14.669 12.505 ( 4.819 0.000 -2.778) 5.562 13.181 ( -10.703 0.000 11.832) 15.955 14.070 ( -0.409 0.000 -10.065) 10.073 14.169 ( 6.619 0.000 9.944) 11.946 14.810 ( 3.482 0.000 -6.139) 7.058======================= Grid point 299 (93/180) =======================q-point: ( 0.18 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.583 ( 2.972 0.000 22.115) 22.314 1.842 ( 18.253 0.000 17.340) 25.177 2.883 ( 11.416 0.000 -2.226) 11.631 3.298 ( -5.971 0.000 -20.127) 20.994 3.321 ( -1.752 0.000 3.183) 3.634 3.505 ( -9.670 0.000 -7.393) 12.172 3.538 ( -2.427 0.000 -7.844) 8.211 3.703 ( -0.827 0.000 -9.155) 9.193 4.400 ( 19.281 0.000 13.579) 23.583 4.525 ( 8.818 0.000 12.869) 15.600 5.042 ( -5.908 0.000 -0.251) 5.914 5.061 ( 16.993 0.000 -3.039) 17.263 5.525 ( -0.336 0.000 1.617) 1.652 5.602 ( -4.256 0.000 -2.828) 5.110 6.304 ( -15.358 0.000 -2.901) 15.629 6.653 ( -5.578 0.000 12.422) 13.617 6.909 ( 4.581 0.000 12.753) 13.551 7.024 ( -8.405 0.000 2.717) 8.833 7.347 ( -3.188 0.000 -23.578) 23.792 7.358 ( -2.175 0.000 -0.191) 2.183 8.104 ( 3.870 0.000 -1.364) 4.103 8.192 ( 10.385 0.000 -2.012) 10.578 8.452 ( 7.700 0.000 15.299) 17.128 8.504 ( 9.445 0.000 -16.344) 18.877 8.818 ( 22.967 0.000 -8.645) 24.540 9.963 ( 1.416 0.000 -4.548) 4.763 10.109 ( -9.421 0.000 11.682) 15.007 10.624 ( -2.571 0.000 3.556) 4.388 10.897 ( -23.204 0.000 8.906) 24.855 11.234 ( -20.481 0.000 -8.190) 22.058 12.475 ( -15.024 0.000 0.999) 15.058 12.481 ( -7.327 0.000 -0.967) 7.390 13.144 ( 10.158 0.000 7.697) 12.745 14.112 ( 4.919 0.000 -13.863) 14.710 14.287 ( 4.709 0.000 8.366) 9.600 14.861 ( 1.182 0.000 -5.762) 5.882======================= Grid point 300 (94/180) =======================q-point: ( 0.27 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( 10.312 0.000 13.181) 16.736 2.212 ( 18.975 0.000 12.754) 22.863 3.080 ( 3.317 0.000 -3.798) 5.042 3.171 ( -6.707 0.000 -16.434) 17.750 3.217 ( -3.310 0.000 -11.305) 11.780 3.435 ( 1.746 0.000 2.796) 3.297 3.508 ( -0.602 0.000 -9.340) 9.359 3.718 ( 2.412 0.000 -9.749) 10.043 4.679 ( 5.077 0.000 10.975) 12.093 4.822 ( 23.385 0.000 14.163) 27.339 4.882 ( -8.120 0.000 4.726) 9.395 5.262 ( 2.484 0.000 -4.329) 4.991 5.567 ( 0.110 0.000 -9.194) 9.195 5.611 ( 8.885 0.000 -1.734) 9.053 6.035 ( -10.137 0.000 -1.419) 10.236 6.439 ( -13.767 0.000 12.341) 18.488 6.852 ( -10.073 0.000 2.549) 10.391 7.058 ( 8.161 0.000 10.469) 13.275 7.248 ( -8.608 0.000 5.486) 10.207 7.315 ( -0.174 0.000 -15.550) 15.551 8.202 ( 6.349 0.000 -3.789) 7.393 8.426 ( 13.279 0.000 1.969) 13.425 8.611 ( 8.927 0.000 21.499) 23.278 8.687 ( 9.366 0.000 -15.933) 18.482 9.159 ( 8.998 0.000 -2.507) 9.341 9.894 ( -12.495 0.000 14.128) 18.860 9.983 ( 0.278 0.000 -2.062) 2.081 10.567 ( -3.695 0.000 0.234) 3.702 10.604 ( -4.517 0.000 0.158) 4.520 10.873 ( -15.643 0.000 -8.613) 17.858 12.052 ( -25.092 0.000 3.869) 25.388 12.252 ( -15.269 0.000 -3.484) 15.661 13.426 ( 16.060 0.000 3.978) 16.546 14.242 ( 7.822 0.000 -13.750) 15.819 14.338 ( 0.407 0.000 6.754) 6.766 14.851 ( -2.118 0.000 -5.563) 5.953======================= Grid point 301 (95/180) =======================q-point: ( 0.36 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( 14.816 0.000 3.912) 15.324 2.549 ( 15.117 0.000 6.264) 16.364 2.888 ( -14.536 0.000 -8.614) 16.897 3.047 ( -5.995 0.000 -13.885) 15.124 3.360 ( 9.438 0.000 -6.902) 11.692 3.497 ( 3.721 0.000 2.376) 4.415 3.524 ( 2.568 0.000 -8.061) 8.460 3.772 ( 1.846 0.000 -8.050) 8.259 4.637 ( -4.928 0.000 8.029) 9.421 4.836 ( -0.270 0.000 4.864) 4.872 5.224 ( 5.379 0.000 3.430) 6.380 5.314 ( 16.887 0.000 6.050) 17.938 5.602 ( 3.881 0.000 -7.883) 8.787 5.614 ( -8.171 0.000 -9.876) 12.818 6.089 ( 13.637 0.000 4.113) 14.244 6.166 ( -13.755 0.000 9.302) 16.605 6.614 ( -14.207 0.000 3.202) 14.563 7.044 ( -12.080 0.000 6.139) 13.550 7.192 ( 5.555 0.000 6.654) 8.668 7.325 ( 0.611 0.000 -6.431) 6.460 8.353 ( 9.261 0.000 -1.239) 9.344 8.688 ( 13.179 0.000 4.438) 13.906 8.784 ( 7.693 0.000 20.672) 22.057 8.864 ( 8.443 0.000 -12.871) 15.393 9.155 ( -5.973 0.000 10.756) 12.303 9.636 ( -13.720 0.000 18.182) 22.778 9.968 ( -1.389 0.000 -0.239) 1.410 10.408 ( -13.100 0.000 -8.223) 15.467 10.727 ( 1.501 0.000 -2.875) 3.244 10.735 ( 15.613 0.000 -12.496) 19.997 11.566 ( -24.010 0.000 2.524) 24.142 11.914 ( -19.115 0.000 -8.043) 20.738 13.727 ( 14.615 0.000 3.254) 14.973 14.301 ( -4.108 0.000 5.292) 6.699 14.399 ( 8.057 0.000 -11.652) 14.166 14.785 ( -4.541 0.000 -6.049) 7.564======================= Grid point 302 (96/180) =======================q-point: ( 0.45 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.270 ( 16.358 0.000 -2.938) 16.620 2.587 ( -16.119 0.000 -7.091) 17.609 2.787 ( 9.458 0.000 -2.442) 9.768 2.932 ( -6.177 0.000 -9.802) 11.585 3.504 ( 4.993 0.000 -3.366) 6.022 3.547 ( 0.606 0.000 -0.106) 0.615 3.614 ( 6.433 0.000 -5.077) 8.195 3.741 ( -5.194 0.000 -4.704) 7.008 4.634 ( 4.813 0.000 4.491) 6.583 4.765 ( -6.681 0.000 3.120) 7.373 5.264 ( 3.782 0.000 -4.191) 5.645 5.389 ( -8.471 0.000 -5.568) 10.137 5.724 ( 8.457 0.000 -1.997) 8.690 5.790 ( 22.399 0.000 7.218) 23.533 5.919 ( -11.487 0.000 4.170) 12.221 6.184 ( -14.800 0.000 6.044) 15.986 6.496 ( 11.670 0.000 2.866) 12.017 6.783 ( -14.770 0.000 4.159) 15.344 7.277 ( 3.334 0.000 2.977) 4.470 7.322 ( -1.187 0.000 -0.172) 1.200 8.559 ( 11.718 0.000 3.372) 12.193 8.780 ( -9.209 0.000 9.079) 12.932 8.907 ( 8.385 0.000 2.265) 8.685 8.976 ( 1.760 0.000 -5.139) 5.432 9.151 ( 8.213 0.000 22.308) 23.772 9.373 ( -13.106 0.000 21.922) 25.541 9.978 ( 4.003 0.000 -2.959) 4.978 10.145 ( -12.415 0.000 -7.187) 14.345 10.860 ( 11.227 0.000 -2.051) 11.413 11.108 ( 21.152 0.000 -14.922) 25.886 11.149 ( -18.427 0.000 -0.186) 18.428 11.522 ( -21.046 0.000 -12.375) 24.415 13.985 ( 11.798 0.000 3.423) 12.284 14.181 ( -8.244 0.000 4.141) 9.226 14.549 ( 7.309 0.000 -9.303) 11.831 14.680 ( -6.160 0.000 -7.341) 9.583======================= Grid point 308 (97/180) =======================q-point: ( 0.00 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( 0.000 12.943 21.899) 25.438 1.736 ( 0.000 11.156 24.098) 26.555 2.719 ( 0.000 11.935 7.622) 14.161 3.356 ( 0.000 -7.952 -20.770) 22.241 3.419 ( 0.000 5.985 9.541) 11.263 3.541 ( 0.000 -4.836 -11.697) 12.657 3.757 ( 0.000 6.384 0.817) 6.436 4.021 ( 0.000 12.522 -21.744) 25.092 4.057 ( 0.000 -1.500 17.479) 17.543 4.319 ( 0.000 0.388 17.574) 17.579 4.528 ( 0.000 6.927 0.436) 6.941 5.078 ( 0.000 0.753 -9.366) 9.397 5.585 ( 0.000 1.413 1.527) 2.080 5.905 ( 0.000 8.554 4.749) 9.784 6.440 ( 0.000 -6.157 7.757) 9.904 6.645 ( 0.000 -9.135 7.129) 11.588 7.071 ( 0.000 4.196 13.002) 13.663 7.130 ( 0.000 -4.932 -15.279) 16.055 7.419 ( 0.000 -2.741 -25.607) 25.753 7.614 ( 0.000 9.528 3.287) 10.079 7.710 ( 0.000 -2.095 -4.888) 5.318 8.097 ( 0.000 -7.259 -8.426) 11.122 8.146 ( 0.000 9.904 0.331) 9.910 8.318 ( 0.000 7.019 -18.220) 19.525 8.499 ( 0.000 12.280 14.944) 19.342 9.894 ( 0.000 -2.742 -6.318) 6.887 10.271 ( 0.000 -2.653 10.442) 10.773 10.709 ( 0.000 2.499 3.682) 4.450 11.670 ( 0.000 -4.918 4.812) 6.881 11.963 ( 0.000 -2.933 -7.313) 7.879 12.054 ( 0.000 -11.081 -2.153) 11.288 12.282 ( 0.000 -10.520 -3.561) 11.106 13.400 ( 0.000 7.225 10.348) 12.621 14.069 ( 0.000 -1.820 11.232) 11.379 14.140 ( 0.000 4.852 -7.114) 8.611 14.754 ( 0.000 -1.252 -6.228) 6.353======================= Grid point 309 (98/180) =======================q-point: ( 0.09 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 1.927 9.300 22.505) 24.427 1.738 ( 4.134 11.944 23.022) 26.263 2.792 ( 6.731 10.447 3.173) 12.826 3.316 ( -3.636 -7.398 -16.120) 18.105 3.410 ( -0.542 4.625 2.040) 5.084 3.557 ( 0.407 -1.509 -9.611) 9.737 3.693 ( -6.387 4.816 -1.106) 8.075 3.854 ( -8.061 5.096 -7.265) 11.989 4.217 ( 7.544 8.825 8.951) 14.660 4.325 ( 6.487 -2.740 10.307) 12.483 4.751 ( 16.838 4.784 1.863) 17.604 5.094 ( 0.679 0.978 -6.684) 6.789 5.556 ( -2.833 0.029 2.078) 3.514 5.826 ( -5.743 9.592 1.431) 11.271 6.516 ( -11.586 -7.457 2.214) 13.955 6.545 ( 8.678 -4.767 8.391) 12.978 6.882 ( -10.968 -5.881 7.912) 14.747 7.236 ( -2.271 2.808 -3.695) 5.167 7.394 ( 3.064 2.483 -8.221) 9.118 7.462 ( -7.645 5.598 -15.846) 18.463 7.955 ( 13.717 -3.542 1.087) 14.209 8.093 ( 2.071 -5.547 -9.211) 10.950 8.194 ( 5.542 8.560 -7.110) 12.431 8.371 ( 4.062 1.381 4.561) 6.262 8.647 ( 13.897 15.004 -1.458) 20.503 9.905 ( 1.196 -2.414 -6.379) 6.925 10.228 ( -4.326 -2.012 10.962) 11.955 10.690 ( -1.849 2.236 3.397) 4.468 11.377 ( -23.170 -2.254 6.019) 24.045 11.581 ( -21.889 -6.709 -6.394) 23.770 12.379 ( 11.738 -8.803 -2.729) 14.924 12.402 ( 9.130 -7.724 -2.672) 12.254 13.297 ( -8.368 10.000 10.185) 16.546 13.988 ( -3.172 -5.275 1.373) 6.306 14.254 ( 6.761 5.492 0.008) 8.711 14.783 ( 2.325 -2.634 -5.925) 6.888======================= Grid point 310 (99/180) =======================q-point: ( 0.18 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( 2.182 5.791 21.819) 22.680 1.948 ( 15.017 8.829 18.140) 25.150 2.945 ( 8.067 6.060 -3.532) 10.691 3.227 ( -5.135 -6.152 -14.245) 16.345 3.410 ( 0.519 5.562 -1.234) 5.721 3.535 ( -6.094 4.917 -10.312) 12.948 3.542 ( -4.280 1.626 -4.004) 6.082 3.740 ( -3.607 2.672 -7.882) 9.071 4.392 ( 10.451 -3.518 15.208) 18.785 4.542 ( 13.967 4.696 5.268) 15.648 5.031 ( 0.030 0.618 1.287) 1.428 5.096 ( 9.179 2.221 -0.561) 9.460 5.511 ( -0.197 -0.142 0.401) 0.468 5.747 ( -2.095 11.971 -4.418) 12.931 6.256 ( -13.670 -4.413 -2.172) 14.528 6.594 ( -11.262 -6.200 10.047) 16.316 6.780 ( 6.804 -10.136 10.226) 15.925 7.109 ( -8.005 6.935 1.125) 10.651 7.331 ( -4.598 1.376 -13.265) 14.106 7.469 ( 0.810 6.925 -3.629) 7.860 8.085 ( 4.158 -1.621 -4.340) 6.225 8.277 ( 12.013 -1.021 -0.912) 12.090 8.366 ( 11.596 1.474 -12.294) 16.964 8.475 ( 6.987 0.324 13.858) 15.523 8.948 ( 14.562 8.103 -4.826) 17.350 9.940 ( 1.939 -1.155 -5.762) 6.188 10.114 ( -6.618 0.753 10.933) 12.803 10.644 ( -2.604 2.007 1.747) 3.723 10.935 ( -20.142 3.330 7.098) 21.614 11.165 ( -20.519 -6.926 -8.113) 23.126 12.339 ( -11.310 -7.761 3.133) 14.070 12.536 ( -2.772 -0.145 -3.938) 4.818 13.230 ( 4.956 8.214 7.531) 12.196 13.991 ( 3.431 -9.298 -4.013) 10.692 14.362 ( 4.119 4.868 0.375) 6.388 14.814 ( 0.423 -4.537 -5.426) 7.086======================= Grid point 311 (100/180) =======================q-point: ( 0.27 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 9.438 3.169 14.070) 17.236 2.269 ( 17.249 5.071 13.875) 22.710 3.000 ( -5.674 -4.168 -8.981) 11.411 3.203 ( 5.071 0.060 -10.641) 11.788 3.339 ( -7.272 10.934 -12.249) 17.958 3.486 ( 3.385 4.580 2.673) 6.291 3.498 ( -1.805 -0.536 -8.795) 8.995 3.719 ( 1.340 0.621 -8.738) 8.862 4.564 ( 5.359 -8.346 12.448) 15.917 4.744 ( 0.416 -5.705 5.299) 7.797 5.015 ( 10.379 8.572 7.457) 15.388 5.253 ( 2.904 -0.254 -3.641) 4.665 5.571 ( 4.656 2.591 -2.910) 6.071 5.719 ( -2.934 4.809 -9.301) 10.874 6.062 ( -2.871 4.585 0.519) 5.435 6.323 ( -14.347 -9.723 10.953) 20.502 6.843 ( -6.469 -5.194 1.083) 8.367 7.021 ( 2.638 3.231 8.826) 9.762 7.274 ( -1.762 0.616 -1.963) 2.709 7.431 ( -3.436 9.707 -2.353) 10.563 8.186 ( 5.959 -0.556 -6.563) 8.882 8.497 ( 10.792 1.164 10.676) 15.225 8.590 ( 10.481 -7.386 -14.929) 19.680 8.657 ( 11.891 8.004 11.179) 18.178 9.121 ( 2.116 -3.749 4.424) 6.173 9.866 ( -10.119 -1.676 13.050) 16.599 10.088 ( 3.175 8.349 -5.525) 10.503 10.606 ( -3.553 4.169 -2.493) 6.019 10.657 ( -5.151 4.681 0.650) 6.991 10.815 ( -13.839 -5.384 -7.202) 16.504 11.996 ( -22.041 -3.694 4.854) 22.869 12.341 ( -14.868 6.489 -4.772) 16.910 13.443 ( 14.134 1.905 3.972) 14.805 14.094 ( 6.124 -11.059 -4.236) 13.332 14.412 ( 1.197 3.750 -1.591) 4.245 14.794 ( -2.445 -5.591 -5.247) 8.047======================= Grid point 312 (101/180) =======================q-point: ( 0.36 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 14.043 1.243 5.102) 14.993 2.590 ( 15.182 3.507 7.917) 17.478 2.814 ( -11.936 -4.347 -8.408) 15.233 3.162 ( -7.288 8.296 -14.383) 18.133 3.376 ( 7.520 1.373 -5.801) 9.596 3.481 ( 0.277 -2.125 -6.042) 6.410 3.578 ( 5.185 5.242 -0.451) 7.387 3.763 ( 1.903 -0.109 -8.031) 8.254 4.535 ( -4.572 -8.760 9.067) 13.411 4.734 ( -0.339 -8.613 5.640) 10.301 5.217 ( 0.706 -1.263 -0.782) 1.645 5.372 ( 14.457 3.859 4.392) 15.594 5.552 ( -7.880 -4.865 -8.373) 12.485 5.675 ( 4.257 5.172 -9.243) 11.415 6.032 ( -10.190 -8.537 8.637) 15.853 6.231 ( 11.294 11.782 5.572) 17.246 6.626 ( -13.213 -0.846 -2.218) 13.425 7.034 ( -5.197 2.958 10.223) 11.844 7.274 ( 2.705 2.524 9.608) 10.296 7.387 ( -0.775 7.666 -4.919) 9.141 8.313 ( 7.225 -1.905 -3.939) 8.447 8.677 ( 6.157 -4.520 15.828) 17.574 8.778 ( 9.017 -5.798 -11.961) 16.062 8.890 ( 10.019 7.808 2.525) 12.951 9.087 ( -1.524 -3.306 14.166) 14.626 9.637 ( -12.638 0.094 19.428) 23.177 10.084 ( -3.503 7.970 -2.575) 9.079 10.404 ( -12.892 1.037 -5.438) 14.030 10.700 ( 3.371 -1.241 -3.099) 4.744 10.829 ( 15.563 7.994 -11.952) 21.189 11.550 ( -22.629 -0.741 3.138) 22.858 12.007 ( -18.970 8.177 -8.480) 22.330 13.720 ( 13.704 -0.705 3.059) 14.059 14.184 ( 1.745 -9.719 1.060) 9.931 14.432 ( 1.947 1.307 -6.794) 7.187 14.725 ( -4.557 -5.946 -5.768) 9.454======================= Grid point 313 (102/180) =======================q-point: ( 0.45 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( 15.318 -0.446 -1.718) 15.420 2.553 ( -14.433 -2.496 -5.897) 15.790 2.846 ( 10.817 5.235 -0.974) 12.056 3.020 ( -7.625 7.629 -9.631) 14.460 3.489 ( 3.438 -2.315 -3.247) 5.265 3.506 ( 1.487 -3.693 -1.837) 4.385 3.669 ( 4.250 4.849 -3.940) 7.557 3.749 ( -3.398 1.553 -6.064) 7.122 4.533 ( 4.865 -9.042 5.901) 11.843 4.665 ( -6.582 -8.984 4.722) 12.097 5.229 ( 2.517 -3.352 -4.247) 5.967 5.336 ( -8.176 -5.469 -5.460) 11.250 5.655 ( 8.573 -3.216 0.455) 9.168 5.792 ( -2.993 -8.384 4.044) 9.778 5.937 ( 11.341 8.204 -2.742) 14.264 6.254 ( -15.224 4.312 -1.501) 15.894 6.579 ( 12.965 8.635 6.692) 16.954 6.845 ( -12.744 7.395 9.682) 17.631 7.341 ( 3.069 4.121 6.611) 8.373 7.378 ( -0.797 5.452 0.900) 5.583 8.471 ( 9.116 -5.844 0.529) 10.841 8.649 ( -7.869 -9.563 6.465) 13.970 8.939 ( 6.845 -1.403 -2.876) 7.556 8.993 ( 1.760 0.292 -1.087) 2.089 9.190 ( 9.365 4.474 18.965) 21.619 9.396 ( -11.764 1.897 21.185) 24.306 10.043 ( 1.600 5.528 -1.710) 6.003 10.169 ( -10.418 3.892 -2.956) 11.507 10.849 ( 11.433 -0.748 -1.621) 11.572 11.115 ( -9.142 -0.439 -1.471) 9.270 11.232 ( 11.878 9.270 -12.757) 19.742 11.618 ( -20.745 8.935 -12.448) 25.791 13.961 ( 10.943 -2.383 3.272) 11.667 14.134 ( -6.375 -4.832 3.833) 8.871 14.510 ( 5.553 -3.703 -8.694) 10.961 14.623 ( -5.743 -5.601 -7.070) 10.692======================= Grid point 319 (103/180) =======================q-point: ( 0.00 0.22 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 0.000 14.148 21.194) 25.482 2.018 ( 0.000 16.524 19.903) 25.869 3.028 ( 0.000 18.166 4.333) 18.675 3.135 ( 0.000 -12.266 -7.531) 14.394 3.493 ( 0.000 -0.934 5.457) 5.536 3.524 ( 0.000 0.893 -12.557) 12.589 3.907 ( 0.000 9.320 2.101) 9.554 4.086 ( 0.000 4.896 13.702) 14.551 4.237 ( 0.000 9.190 -23.745) 25.462 4.410 ( 0.000 10.635 18.262) 21.133 4.709 ( 0.000 10.319 -3.771) 10.986 5.116 ( 0.000 3.768 -7.540) 8.429 5.597 ( 0.000 -0.532 3.053) 3.099 6.138 ( 0.000 14.690 -2.320) 14.872 6.243 ( 0.000 -13.708 10.278) 17.134 6.457 ( 0.000 -9.763 5.384) 11.149 6.981 ( 0.000 -10.060 -15.468) 18.452 7.140 ( 0.000 2.967 11.111) 11.500 7.363 ( 0.000 -2.947 -24.529) 24.705 7.658 ( 0.000 -3.376 0.377) 3.397 7.802 ( 0.000 6.665 14.905) 16.328 7.912 ( 0.000 -11.237 -7.408) 13.459 8.358 ( 0.000 14.700 6.474) 16.062 8.487 ( 0.000 9.816 -20.801) 23.001 8.845 ( 0.000 18.494 4.422) 19.016 9.887 ( 0.000 4.419 -9.876) 10.820 10.210 ( 0.000 -3.484 11.834) 12.336 10.751 ( 0.000 1.006 2.756) 2.934 11.545 ( 0.000 -7.071 4.776) 8.533 11.780 ( 0.000 -15.873 -2.439) 16.059 11.870 ( 0.000 -6.720 -10.352) 12.342 12.050 ( 0.000 -12.090 -2.555) 12.357 13.558 ( 0.000 8.136 10.328) 13.148 14.021 ( 0.000 -2.981 12.114) 12.475 14.250 ( 0.000 5.943 -6.622) 8.897 14.717 ( 0.000 -2.489 -6.044) 6.536======================= Grid point 320 (104/180) =======================q-point: ( 0.09 0.22 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 0.526 15.388 20.053) 25.282 1.994 ( 0.789 13.832 21.441) 25.527 3.056 ( 1.998 13.927 -0.511) 14.078 3.115 ( -1.451 -9.961 -6.843) 12.172 3.452 ( -1.577 -1.147 -1.100) 2.239 3.605 ( 4.950 3.167 -6.316) 8.627 3.848 ( -5.839 11.186 -1.829) 12.750 3.927 ( -9.896 3.074 -1.418) 10.459 4.316 ( -2.535 4.969 8.911) 10.513 4.438 ( 11.456 10.411 -2.544) 15.688 4.890 ( 13.896 9.542 1.382) 16.913 5.133 ( 0.508 3.150 -4.426) 5.456 5.535 ( -4.623 -2.275 2.137) 5.578 6.063 ( -3.757 12.472 -2.509) 13.265 6.314 ( -5.271 -12.508 6.472) 15.037 6.423 ( 5.773 -6.367 4.364) 9.639 6.748 ( -15.815 -7.754 -0.333) 17.617 7.262 ( -0.102 0.621 -3.708) 3.760 7.409 ( 9.660 -0.647 -13.094) 16.285 7.606 ( -7.310 5.259 -0.524) 9.020 7.899 ( 9.624 -3.249 1.693) 10.297 7.923 ( 2.670 -8.124 -3.269) 9.155 8.411 ( 2.597 5.831 5.016) 8.118 8.497 ( 4.435 17.457 -10.315) 20.756 8.936 ( 7.217 12.409 2.601) 14.589 9.908 ( 2.085 4.307 -9.407) 10.554 10.189 ( -1.876 -1.503 11.009) 11.268 10.730 ( -1.898 1.237 1.932) 2.977 11.328 ( -17.020 -2.224 3.462) 17.511 11.388 ( -21.979 -12.668 -6.227) 26.122 12.159 ( 7.925 -12.504 -0.414) 14.809 12.236 ( 16.690 -9.268 -6.584) 20.194 13.506 ( -4.730 10.207 9.236) 14.556 13.899 ( -7.901 -3.407 7.553) 11.449 14.347 ( 6.147 3.728 -3.115) 7.835 14.716 ( -0.226 -3.909 -5.640) 6.866======================= Grid point 321 (105/180) =======================q-point: ( 0.18 0.22 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.833 ( -1.732 14.964 20.034) 25.065 2.127 ( 10.957 8.794 18.863) 23.521 3.031 ( -4.048 -5.384 -8.960) 11.210 3.143 ( 3.560 5.737 -5.048) 8.430 3.443 ( 0.476 -1.897 -1.749) 2.624 3.657 ( -1.438 9.467 -2.478) 9.891 3.706 ( -7.042 10.092 -13.185) 18.036 3.777 ( -4.460 1.684 -3.395) 5.852 4.322 ( 3.597 -1.845 10.700) 11.438 4.657 ( 8.201 5.408 -0.072) 9.824 5.067 ( -3.135 1.375 1.291) 3.659 5.155 ( 8.971 4.730 1.078) 10.199 5.527 ( 5.125 2.341 -0.244) 5.640 5.944 ( -10.912 2.192 -6.886) 13.088 6.201 ( -0.580 3.021 1.697) 3.513 6.421 ( -17.407 -9.674 5.733) 20.723 6.589 ( 8.211 -8.854 6.557) 13.740 7.215 ( -3.410 3.555 -0.810) 4.992 7.428 ( -8.594 7.231 -5.453) 12.485 7.580 ( 4.782 4.149 -0.489) 6.351 7.998 ( 7.221 -7.983 -12.502) 16.498 8.155 ( 13.748 -3.683 0.649) 14.247 8.435 ( 1.534 -0.022 3.527) 3.846 8.676 ( 11.700 18.184 0.647) 21.632 9.047 ( 3.167 2.603 6.140) 7.382 9.937 ( -1.086 0.044 1.109) 1.553 10.172 ( 1.663 5.799 1.392) 6.191 10.698 ( -0.529 3.365 -1.899) 3.900 10.968 ( -19.279 -9.936 -8.791) 23.403 11.019 ( -15.002 2.542 4.865) 15.975 12.180 ( -6.306 -8.742 3.988) 11.493 12.480 ( 6.291 -5.062 -7.282) 10.873 13.430 ( -1.125 10.962 6.861) 12.980 13.807 ( -0.827 -8.490 3.300) 9.146 14.436 ( 2.799 2.172 -2.580) 4.383 14.700 ( -1.680 -6.551 -4.953) 8.383======================= Grid point 322 (106/180) =======================q-point: ( 0.27 0.22 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 5.318 10.003 15.305) 19.042 2.374 ( 13.901 5.027 15.427) 21.366 2.924 ( -7.051 -4.229 -8.841) 12.073 3.220 ( 4.219 2.099 -8.822) 10.002 3.436 ( -2.025 -4.401 -4.638) 6.706 3.565 ( -7.187 11.557 -11.823) 18.028 3.623 ( 1.177 6.368 1.040) 6.559 3.766 ( 1.536 4.969 -9.513) 10.841 4.405 ( 2.555 -7.426 10.069) 12.770 4.646 ( -6.812 -3.868 4.406) 8.988 5.101 ( 6.281 -1.361 0.408) 6.440 5.290 ( 5.575 4.353 -3.800) 8.029 5.613 ( -6.366 -3.016 -0.911) 7.103 5.740 ( -1.309 2.860 -10.327) 10.795 6.101 ( -13.656 -7.304 7.409) 17.167 6.295 ( 8.897 13.275 5.079) 16.768 6.684 ( -0.165 -9.338 0.978) 9.390 7.144 ( -2.240 6.910 6.004) 9.424 7.318 ( -2.831 4.491 0.502) 5.332 7.604 ( -1.330 7.081 2.041) 7.488 8.166 ( 8.718 -2.501 -11.131) 14.358 8.410 ( 12.223 -4.900 -5.321) 14.203 8.486 ( 3.507 -4.909 7.202) 9.395 8.890 ( 8.104 9.319 1.070) 12.396 9.072 ( 1.751 3.481 11.635) 12.270 9.834 ( -8.501 -1.550 16.179) 18.342 10.225 ( 0.457 3.888 -6.418) 7.517 10.653 ( -10.790 -5.170 -11.931) 16.897 10.753 ( 0.108 5.019 -2.931) 5.813 10.795 ( -1.518 10.142 1.170) 10.322 11.934 ( -17.649 -2.929 6.221) 18.941 12.446 ( -8.995 3.610 -7.795) 12.438 13.507 ( 8.443 4.459 3.948) 10.332 13.855 ( 4.915 -12.355 0.691) 13.314 14.457 ( -0.399 0.610 -3.401) 3.478 14.649 ( -3.510 -8.523 -4.702) 10.347======================= Grid point 323 (107/180) =======================q-point: ( 0.36 0.22 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 11.025 4.880 7.904) 14.417 2.634 ( 9.479 -0.293 9.092) 13.138 2.773 ( -5.303 0.620 -4.487) 6.974 3.287 ( 0.578 3.147 -15.279) 15.611 3.378 ( -2.940 -7.375 -0.192) 7.942 3.454 ( -2.773 6.625 -8.440) 11.082 3.697 ( 4.803 5.499 -1.993) 7.568 3.807 ( 2.081 5.167 -9.301) 10.841 4.348 ( -5.370 -9.566 7.613) 13.353 4.570 ( -2.148 -6.919 6.550) 9.767 5.163 ( -0.412 -5.326 -2.519) 5.905 5.362 ( -9.432 -6.372 -1.758) 11.518 5.452 ( 6.107 -2.910 -6.810) 9.599 5.719 ( -5.106 -1.819 -1.985) 5.772 5.989 ( 2.582 5.947 -2.002) 6.785 6.505 ( 5.647 12.735 1.766) 14.042 6.587 ( -2.158 -0.472 1.150) 2.491 7.150 ( -0.110 7.101 13.389) 15.156 7.293 ( 1.070 1.298 8.785) 8.944 7.558 ( -2.995 7.973 2.033) 8.756 8.307 ( 5.691 0.851 -6.042) 8.344 8.536 ( 0.338 -8.895 5.574) 10.503 8.633 ( 11.037 -6.865 -10.079) 16.448 8.946 ( 0.975 -1.585 4.254) 4.643 9.184 ( 6.859 10.217 10.621) 16.256 9.640 ( -10.968 0.146 21.422) 24.067 10.158 ( -4.252 0.667 -4.352) 6.121 10.500 ( -8.290 7.052 -3.035) 11.299 10.689 ( 2.851 0.479 1.547) 3.279 11.032 ( 16.100 12.279 -12.363) 23.724 11.558 ( -19.288 1.576 3.790) 19.720 12.186 ( -16.646 9.209 -10.027) 21.504 13.705 ( 10.815 -0.767 2.726) 11.180 13.958 ( 4.607 -12.628 1.438) 13.519 14.432 ( -1.741 -1.453 -5.384) 5.842 14.568 ( -4.685 -9.390 -5.240) 11.729======================= Grid point 324 (108/180) =======================q-point: ( 0.45 0.22 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.267 ( 12.955 1.203 1.350) 13.080 2.514 ( -11.993 -1.464 -2.889) 12.423 2.942 ( 12.739 3.107 4.676) 13.921 3.167 ( -10.003 4.805 -4.773) 12.080 3.397 ( 2.460 -6.166 -5.026) 8.327 3.433 ( -0.945 -1.686 -7.099) 7.358 3.775 ( 2.977 5.147 -5.510) 8.106 3.816 ( -1.219 4.813 -8.259) 9.637 4.339 ( 4.937 -9.574 6.545) 12.605 4.478 ( -7.341 -8.719 6.345) 13.045 5.139 ( -0.472 -6.200 -4.447) 7.645 5.188 ( -6.025 -8.598 -5.325) 11.772 5.582 ( 4.651 -5.160 1.120) 7.036 5.640 ( -2.525 -4.896 2.324) 5.979 6.110 ( 9.108 8.847 -12.151) 17.575 6.323 ( -12.131 3.462 -13.014) 18.125 6.815 ( 13.678 13.833 15.902) 25.126 7.047 ( -9.577 11.521 16.795) 22.506 7.380 ( 6.156 0.157 9.349) 11.195 7.488 ( -4.519 4.389 5.455) 8.333 8.401 ( 4.450 -1.084 -2.816) 5.377 8.488 ( -4.283 -5.886 1.122) 7.366 8.839 ( 9.593 -7.285 -10.778) 16.164 8.960 ( -1.737 -3.696 -1.808) 4.466 9.285 ( 4.999 4.016 15.600) 16.867 9.431 ( -9.834 1.607 21.679) 23.859 10.162 ( 5.154 7.244 0.533) 8.906 10.319 ( -9.619 9.668 1.824) 13.759 10.842 ( 11.780 0.204 0.758) 11.806 11.115 ( -14.223 0.647 3.387) 14.635 11.465 ( 16.339 13.520 -15.120) 26.046 11.831 ( -19.306 11.957 -13.135) 26.234 13.895 ( 8.159 -4.326 3.160) 9.760 13.995 ( -1.545 -8.968 3.460) 9.735 14.418 ( 1.088 -5.356 -7.415) 9.211 14.476 ( -4.367 -8.756 -6.592) 11.798======================= Grid point 330 (109/180) =======================q-point: ( 0.00 0.33 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.094 ( 0.000 11.371 19.654) 22.706 2.331 ( 0.000 13.672 14.041) 19.597 2.925 ( 0.000 -7.802 3.307) 8.474 3.305 ( 0.000 1.777 -0.073) 1.779 3.439 ( 0.000 2.697 7.829) 8.281 3.544 ( 0.000 0.930 -8.428) 8.479 4.033 ( 0.000 6.037 -1.929) 6.337 4.349 ( 0.000 19.356 9.081) 21.380 4.368 ( 0.000 3.821 -22.796) 23.114 4.703 ( 0.000 17.780 15.422) 23.536 4.864 ( 0.000 4.507 -5.739) 7.297 5.253 ( 0.000 9.720 -6.229) 11.545 5.564 ( 0.000 -2.671 1.962) 3.314 5.924 ( 0.000 -18.466 13.280) 22.745 6.272 ( 0.000 -8.211 1.675) 8.380 6.437 ( 0.000 13.066 -4.850) 13.937 6.767 ( 0.000 -9.179 -14.902) 17.502 7.192 ( 0.000 2.393 9.460) 9.757 7.308 ( 0.000 -2.482 -18.150) 18.319 7.535 ( 0.000 -11.403 -2.457) 11.665 7.720 ( 0.000 -5.568 -0.815) 5.627 7.830 ( 0.000 -2.633 19.338) 19.516 8.681 ( 0.000 9.449 -18.835) 21.073 8.731 ( 0.000 19.211 0.708) 19.224 9.115 ( 0.000 11.369 9.649) 14.912 10.121 ( 0.000 -6.630 12.127) 13.821 10.126 ( 0.000 18.729 -14.614) 23.756 10.726 ( 0.000 -3.377 2.433) 4.162 11.429 ( 0.000 -4.362 4.119) 5.999 11.471 ( 0.000 -14.648 -2.571) 14.872 11.705 ( 0.000 -9.505 -14.255) 17.134 11.831 ( 0.000 -10.052 -3.509) 10.647 13.702 ( 0.000 6.449 11.173) 12.901 13.958 ( 0.000 -3.380 12.899) 13.334 14.365 ( 0.000 5.784 -5.872) 8.242 14.657 ( 0.000 -3.670 -5.780) 6.847======================= Grid point 331 (110/180) =======================q-point: ( 0.09 0.33 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.136 ( 4.002 11.022 18.426) 21.841 2.287 ( -3.902 14.878 15.340) 21.723 2.909 ( -1.467 -8.047 1.841) 8.384 3.287 ( -1.763 1.227 0.217) 2.159 3.411 ( -1.046 1.328 2.035) 2.646 3.643 ( 7.782 2.121 -4.545) 9.258 3.980 ( -5.672 5.837 -2.192) 8.430 4.127 ( -11.021 12.628 -9.589) 19.310 4.465 ( -7.496 9.037 2.480) 12.001 4.625 ( 7.195 8.631 -1.580) 11.347 5.102 ( 13.925 10.323 3.693) 17.723 5.204 ( -6.838 3.360 -3.316) 8.309 5.493 ( -1.007 -0.354 -0.454) 1.160 6.031 ( 5.582 -14.352 11.491) 19.214 6.135 ( -9.596 -6.924 -1.965) 11.996 6.438 ( -1.642 2.411 -1.888) 3.475 6.629 ( -9.707 2.056 -6.352) 11.781 7.280 ( 0.989 0.806 3.280) 3.519 7.381 ( 11.311 -1.758 -12.610) 17.031 7.577 ( 2.364 -8.525 -3.544) 9.531 7.743 ( 2.129 -5.536 -0.958) 6.008 7.892 ( 7.512 -1.333 14.254) 16.168 8.550 ( -7.006 7.870 -10.918) 15.173 8.862 ( 6.839 15.317 -5.383) 17.616 9.131 ( 1.778 11.627 10.643) 15.863 10.024 ( -4.951 1.862 4.770) 7.122 10.223 ( 4.647 7.659 -4.405) 9.983 10.728 ( 0.621 -0.892 0.600) 1.241 11.114 ( -21.471 -14.422 -5.999) 26.552 11.318 ( -10.207 1.716 0.832) 10.384 11.907 ( 8.333 -13.026 -0.516) 15.472 12.052 ( 18.193 -9.090 -10.364) 22.826 13.651 ( -4.887 3.597 10.780) 12.371 13.882 ( -6.361 2.406 10.021) 12.111 14.394 ( 1.989 1.011 -4.290) 4.836 14.643 ( -1.377 -3.209 -5.398) 6.429======================= Grid point 332 (111/180) =======================q-point: ( 0.18 0.33 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.165 ( -3.310 17.323 15.806) 23.683 2.287 ( 6.881 7.848 16.731) 19.720 2.876 ( -1.838 -7.420 -1.404) 7.772 3.241 ( -2.761 -2.623 0.468) 3.837 3.414 ( 0.976 2.058 -1.512) 2.734 3.784 ( 3.768 3.017 -9.270) 10.452 3.828 ( -6.782 7.434 -2.312) 10.325 3.950 ( -7.355 11.104 -9.149) 16.159 4.327 ( -4.554 1.648 4.515) 6.621 4.750 ( 0.606 4.744 -0.467) 4.805 5.001 ( -7.819 -7.860 -1.418) 11.177 5.303 ( 5.343 8.838 -2.609) 10.652 5.609 ( 8.584 4.356 1.307) 9.714 5.846 ( -11.526 -5.550 -6.125) 14.184 6.177 ( -3.649 -7.855 9.626) 12.949 6.305 ( -1.881 -8.714 4.588) 10.026 6.578 ( 2.706 12.670 -4.620) 13.755 7.267 ( -1.226 0.896 5.103) 5.325 7.508 ( -1.936 0.401 -3.698) 4.193 7.649 ( 4.933 2.984 3.456) 6.722 7.839 ( 10.270 -6.841 -12.137) 17.308 8.113 ( 13.647 -1.573 6.210) 15.076 8.440 ( -4.206 0.852 -7.173) 8.359 8.939 ( 0.484 4.361 -1.292) 4.574 9.203 ( 5.781 17.172 8.844) 20.162 9.927 ( -5.209 -0.797 12.801) 13.843 10.284 ( 0.900 3.294 -3.406) 4.823 10.725 ( -14.091 -11.290 -4.058) 18.507 10.783 ( 2.326 3.988 -8.089) 9.314 11.129 ( -8.321 7.834 -0.548) 11.442 11.989 ( -0.845 -10.786 3.687) 11.430 12.361 ( 12.015 -6.485 -10.821) 17.422 13.549 ( -4.281 -2.015 8.890) 10.071 13.766 ( -4.610 7.517 5.845) 10.580 14.413 ( -0.320 -5.356 -3.266) 6.281 14.603 ( -2.780 -2.164 -4.698) 5.872======================= Grid point 333 (112/180) =======================q-point: ( 0.27 0.33 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( -0.236 15.333 14.684) 21.231 2.459 ( 9.696 3.796 13.593) 17.123 2.831 ( -3.069 -4.853 -3.870) 6.925 3.191 ( -2.203 -8.615 0.920) 8.940 3.413 ( -1.908 4.624 -4.986) 7.063 3.714 ( -0.803 4.192 -3.729) 5.668 3.764 ( -7.266 7.861 -15.064) 18.480 3.908 ( 1.765 8.146 -5.267) 9.860 4.278 ( -2.430 -5.718 5.144) 8.066 4.599 ( -9.836 -1.109 4.028) 10.687 4.993 ( 2.098 -7.725 -3.430) 8.709 5.338 ( -2.513 -4.855 -9.610) 11.056 5.521 ( -9.253 1.865 0.804) 9.474 5.833 ( -3.223 2.418 -2.358) 4.669 6.020 ( 0.763 0.599 -0.706) 1.200 6.433 ( 7.696 -7.270 10.263) 14.745 6.651 ( 4.843 12.937 -2.772) 14.089 7.246 ( -0.574 2.644 8.161) 8.597 7.433 ( -4.164 6.270 5.045) 9.061 7.693 ( 0.349 2.187 4.044) 4.611 8.092 ( 13.440 -4.008 -14.484) 20.162 8.367 ( 9.509 -0.497 -4.929) 10.722 8.386 ( 0.577 -4.433 3.502) 5.678 8.912 ( -1.903 -1.555 1.582) 2.923 9.315 ( 4.384 14.282 5.947) 16.080 9.809 ( -7.355 -0.966 20.786) 22.071 10.231 ( -5.144 -1.818 -3.200) 6.326 10.554 ( -1.417 -3.973 -5.990) 7.327 10.829 ( -3.037 2.916 0.243) 4.217 11.079 ( 6.421 16.296 -9.738) 20.040 11.861 ( -11.759 -5.045 6.402) 14.308 12.475 ( -0.887 -0.391 -11.180) 11.222 13.529 ( 2.726 -6.517 5.683) 9.066 13.729 ( 0.993 4.448 3.022) 5.469 14.381 ( -2.788 -9.422 -3.555) 10.449 14.535 ( -4.200 -1.628 -4.479) 6.352======================= Grid point 334 (113/180) =======================q-point: ( 0.36 0.33 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.169 ( 5.229 9.348 10.799) 15.210 2.602 ( 1.256 -1.896 6.840) 7.208 2.788 ( 2.113 -0.298 0.924) 2.325 3.155 ( -1.993 -13.153 3.545) 13.767 3.369 ( -1.317 5.379 -10.233) 11.635 3.613 ( -7.643 7.429 -10.842) 15.203 3.768 ( 4.566 2.062 -5.476) 7.422 3.934 ( 0.310 6.239 -9.013) 10.966 4.184 ( -4.919 -6.758 2.658) 8.771 4.478 ( -4.546 -2.750 7.347) 9.067 4.999 ( -1.284 -9.435 -3.339) 10.090 5.189 ( -9.449 -10.280 -9.609) 16.950 5.456 ( 0.560 3.140 2.377) 3.977 5.690 ( -6.698 -0.777 0.970) 6.812 6.142 ( 6.994 7.574 -11.818) 15.682 6.486 ( -2.475 -4.777 -8.755) 10.276 6.814 ( 11.660 13.066 14.809) 22.935 7.267 ( 3.063 4.796 11.601) 12.922 7.358 ( -3.891 4.646 12.377) 13.782 7.662 ( -3.861 2.421 5.746) 7.334 8.324 ( 9.759 -2.080 -10.914) 14.788 8.370 ( 0.736 -3.984 -4.972) 6.414 8.554 ( 7.119 -1.574 -2.664) 7.762 8.896 ( 0.106 -3.440 -0.285) 3.454 9.343 ( -1.095 5.228 7.275) 9.025 9.638 ( -9.685 -0.336 23.277) 25.214 10.197 ( 2.805 4.020 -0.781) 4.964 10.591 ( 1.284 2.011 -4.194) 4.825 10.730 ( -2.421 3.164 5.286) 6.619 11.281 ( 8.499 12.109 -6.532) 16.172 11.602 ( -10.237 2.629 -0.283) 10.573 12.340 ( -11.860 6.173 -12.390) 18.229 13.636 ( 7.241 -9.221 3.850) 12.340 13.785 ( 3.846 -0.745 2.704) 4.760 14.318 ( -3.229 -10.625 -4.963) 12.164 14.442 ( -5.307 -2.324 -5.136) 7.743======================= Grid point 335 (114/180) =======================q-point: ( 0.45 0.33 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.310 ( 8.855 3.134 6.039) 11.167 2.491 ( -9.089 -1.042 2.358) 9.448 2.930 ( 9.138 -3.739 6.946) 12.072 3.083 ( -5.941 -10.434 6.110) 13.472 3.385 ( 3.017 3.808 -12.621) 13.524 3.477 ( -6.168 4.741 -10.739) 13.261 3.849 ( 3.292 2.347 -7.628) 8.633 3.903 ( -2.681 3.378 -10.853) 11.678 4.194 ( 5.822 -4.887 4.934) 9.062 4.349 ( -8.573 -4.503 6.610) 11.724 4.983 ( 0.722 -7.765 -4.859) 9.188 5.042 ( -5.368 -6.805 -6.894) 11.075 5.501 ( 3.769 -2.040 3.188) 5.341 5.586 ( -4.688 -1.634 2.447) 5.535 6.269 ( 6.335 6.999 -16.781) 19.255 6.391 ( -6.176 3.023 -17.205) 18.528 7.046 ( 11.302 8.201 21.468) 25.610 7.232 ( -7.480 6.015 20.929) 23.025 7.391 ( 7.264 2.455 8.614) 11.532 7.545 ( -7.691 2.163 8.012) 11.315 8.406 ( 2.425 -0.340 -5.181) 5.730 8.431 ( 1.021 0.971 -5.765) 5.935 8.700 ( 8.856 -6.203 -11.021) 15.439 8.858 ( -5.627 -6.272 -8.819) 12.197 9.343 ( 2.987 2.201 16.970) 17.371 9.460 ( -8.190 1.370 22.667) 24.140 10.316 ( 8.295 7.371 1.269) 11.169 10.486 ( -8.625 6.656 0.477) 10.905 10.860 ( 12.348 1.584 5.168) 13.480 11.142 ( -15.531 1.963 8.096) 17.625 11.728 ( 16.160 12.531 -16.368) 26.193 12.056 ( -16.574 10.301 -14.556) 24.345 13.772 ( 5.868 -9.198 4.071) 11.645 13.834 ( 0.014 -5.499 4.184) 6.909 14.283 ( 0.425 -8.251 -6.902) 10.766 14.340 ( -4.756 -4.363 -6.485) 9.149======================= Grid point 341 (115/180) =======================q-point: ( 0.00 0.44 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.297 ( 0.000 9.441 14.952) 17.683 2.442 ( 0.000 -3.432 9.395) 10.002 2.925 ( 0.000 8.537 11.996) 14.724 3.146 ( 0.000 -11.689 8.881) 14.680 3.538 ( 0.000 2.664 -0.269) 2.678 3.556 ( 0.000 0.160 -4.109) 4.112 4.210 ( 0.000 10.469 -9.548) 14.169 4.366 ( 0.000 -4.354 -17.902) 18.424 4.705 ( 0.000 14.768 2.555) 14.987 4.881 ( 0.000 -3.290 -2.602) 4.194 5.081 ( 0.000 20.652 14.142) 25.030 5.395 ( 0.000 -0.314 -2.772) 2.790 5.509 ( 0.000 -2.382 -0.255) 2.396 5.553 ( 0.000 -15.779 12.841) 20.344 6.209 ( 0.000 3.591 -3.477) 4.999 6.391 ( 0.000 -12.175 -8.018) 14.578 6.889 ( 0.000 16.803 -8.936) 19.031 7.215 ( 0.000 -7.897 0.339) 7.904 7.255 ( 0.000 -7.668 -4.195) 8.740 7.269 ( 0.000 -1.635 -7.964) 8.130 7.692 ( 0.000 1.408 8.218) 8.337 7.752 ( 0.000 -4.275 15.403) 15.986 8.838 ( 0.000 6.300 -12.986) 14.433 8.909 ( 0.000 0.042 -6.466) 6.466 9.471 ( 0.000 23.594 12.199) 26.561 9.894 ( 0.000 -17.445 11.584) 20.941 10.491 ( 0.000 15.104 -9.851) 18.032 10.655 ( 0.000 -3.756 -0.309) 3.769 11.265 ( 0.000 -4.350 -3.452) 5.553 11.327 ( 0.000 -7.365 -1.905) 7.607 11.583 ( 0.000 -0.358 -11.020) 11.026 11.662 ( 0.000 -6.995 -5.543) 8.925 13.810 ( 0.000 4.638 12.270) 13.117 13.889 ( 0.000 -3.663 12.984) 13.491 14.475 ( 0.000 5.406 -5.503) 7.714 14.574 ( 0.000 -4.694 -5.540) 7.261======================= Grid point 342 (116/180) =======================q-point: ( 0.09 0.44 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.325 ( 2.823 8.466 13.894) 16.513 2.446 ( 0.253 -1.065 8.834) 8.902 2.882 ( -3.599 6.476 10.456) 12.815 3.140 ( -1.462 -10.445 10.602) 14.954 3.468 ( -1.997 1.392 -3.120) 3.958 3.687 ( 8.111 1.370 -1.996) 8.465 4.147 ( -6.175 9.396 -8.680) 14.205 4.261 ( -8.822 0.039 -15.736) 18.040 4.623 ( -13.461 5.575 3.648) 15.020 4.777 ( 2.167 5.700 -1.279) 6.231 5.126 ( -12.059 -3.484 0.164) 12.554 5.353 ( 9.233 8.052 7.061) 14.140 5.549 ( 4.831 4.531 -4.124) 7.802 5.759 ( 11.996 -11.908 11.267) 20.314 6.023 ( -11.333 -2.471 -6.255) 13.178 6.320 ( -9.430 -6.875 -1.182) 11.730 6.888 ( -0.761 17.021 -6.480) 18.229 7.198 ( -1.542 -11.965 -0.664) 12.082 7.366 ( 12.891 0.026 -9.461) 15.991 7.418 ( 10.343 -3.166 -0.225) 10.819 7.679 ( 0.479 -1.767 5.992) 6.266 7.858 ( 9.070 -1.363 13.366) 16.210 8.670 ( -11.064 3.480 -11.805) 16.550 8.990 ( 2.175 1.375 -7.108) 7.559 9.490 ( 2.176 19.992 10.125) 22.515 9.913 ( 1.309 -11.440 13.446) 17.703 10.397 ( -6.655 6.205 -5.624) 10.697 10.738 ( 4.640 1.535 -0.820) 4.956 10.875 ( -19.435 -7.887 -7.700) 22.343 11.399 ( -5.890 5.889 -3.976) 9.229 11.665 ( 9.495 -10.487 0.278) 14.150 11.912 ( 18.446 -4.281 -12.736) 22.821 13.671 ( -9.806 -0.158 12.919) 16.220 13.954 ( 2.457 2.958 11.147) 11.792 14.393 ( -6.447 -0.609 -6.334) 9.058 14.602 ( 1.045 -0.983 -4.702) 4.916======================= Grid point 343 (117/180) =======================q-point: ( 0.18 0.44 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.399 ( 3.769 6.605 10.951) 13.332 2.448 ( 0.693 4.552 8.870) 9.994 2.816 ( -2.717 3.786 7.885) 9.159 3.068 ( -5.733 -11.344 11.574) 17.191 3.469 ( 1.769 1.582 -4.150) 4.781 3.839 ( 6.055 1.603 -5.985) 8.663 3.994 ( -8.514 8.561 -6.330) 13.633 4.088 ( -7.891 1.621 -11.862) 14.339 4.360 ( -12.048 1.192 3.135) 12.506 4.832 ( -10.048 -6.509 -4.390) 12.752 4.849 ( -1.691 4.255 0.081) 4.579 5.380 ( -8.387 -2.010 -5.751) 10.366 5.674 ( 4.882 4.992 -1.097) 7.068 5.878 ( 5.314 6.360 -2.690) 8.714 6.033 ( 0.190 -6.553 7.289) 9.803 6.100 ( -2.329 -9.230 4.556) 10.554 6.878 ( 0.287 14.843 -3.815) 15.328 7.181 ( 0.380 -9.506 3.569) 10.161 7.529 ( 3.575 2.241 6.215) 7.512 7.672 ( 6.974 -0.515 3.864) 7.990 7.749 ( 12.336 -2.370 -10.484) 16.362 8.087 ( 13.916 -0.869 8.321) 16.237 8.460 ( -9.702 0.761 -12.994) 16.235 8.972 ( -3.329 0.757 -4.307) 5.496 9.538 ( 1.574 12.433 4.677) 13.376 9.907 ( -2.862 -1.396 19.882) 20.135 10.284 ( -4.946 -1.600 -2.273) 5.674 10.534 ( -10.237 -6.244 -3.324) 12.443 10.863 ( 3.862 2.548 -4.605) 6.528 11.309 ( -1.846 8.445 -8.814) 12.346 11.783 ( 2.193 -8.532 5.095) 10.177 12.256 ( 15.222 -3.329 -13.689) 20.741 13.485 ( -8.215 -2.218 11.780) 14.532 13.958 ( -1.873 8.883 7.644) 11.868 14.266 ( -6.088 -7.602 -5.937) 11.406 14.593 ( -2.006 0.120 -4.185) 4.642======================= Grid point 344 (118/180) =======================q-point: ( 0.27 0.44 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.398 ( -1.844 9.749 9.653) 13.843 2.534 ( 5.676 3.916 9.101) 11.418 2.773 ( -2.123 1.269 5.445) 5.980 2.951 ( -4.998 -13.745 8.477) 16.905 3.510 ( 1.265 3.089 -4.287) 5.433 3.808 ( -5.763 4.476 -10.398) 12.703 3.864 ( -6.865 2.520 -9.379) 11.893 4.029 ( 0.772 3.211 -6.477) 7.270 4.181 ( -6.345 -3.674 1.340) 7.454 4.586 ( -9.725 -0.547 1.842) 9.913 4.886 ( 0.552 -1.869 -2.747) 3.368 5.170 ( -10.787 -7.274 -10.552) 16.751 5.665 ( -5.265 8.905 2.122) 10.560 5.804 ( -9.328 -4.591 2.481) 10.688 6.076 ( 10.145 2.660 -10.627) 14.931 6.279 ( 9.033 -5.485 5.830) 12.069 6.912 ( 3.330 10.387 1.546) 11.017 7.226 ( 4.325 -3.777 10.175) 11.684 7.532 ( -2.996 3.123 12.978) 13.681 7.714 ( 0.087 0.378 4.705) 4.721 8.030 ( 12.377 -1.997 -14.812) 19.405 8.337 ( -0.664 -0.547 -9.167) 9.207 8.360 ( 12.202 -0.504 1.927) 12.363 8.892 ( -4.293 -0.490 -3.383) 5.487 9.511 ( -4.522 5.000 1.949) 7.017 9.795 ( -8.062 -0.535 24.825) 26.107 10.218 ( -0.276 0.707 -1.201) 1.421 10.491 ( 3.865 -2.299 -1.751) 4.826 10.869 ( -3.284 1.100 0.861) 3.569 11.368 ( 7.747 11.338 -14.178) 19.737 11.735 ( -6.994 -6.677 7.974) 12.533 12.455 ( 4.371 -0.960 -13.746) 14.456 13.394 ( -0.368 -4.349 8.884) 9.898 13.904 ( -2.887 10.483 3.978) 11.579 14.165 ( -4.301 -11.208 -4.849) 12.947 14.527 ( -4.682 -0.024 -4.327) 6.375======================= Grid point 345 (119/180) =======================q-point: ( 0.36 0.44 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.368 ( -0.798 9.106 10.621) 14.013 2.571 ( -3.617 -1.507 10.069) 10.805 2.769 ( 3.487 -0.904 2.903) 4.626 2.906 ( -0.184 -9.812 3.751) 10.506 3.488 ( -2.618 5.063 -5.060) 7.622 3.683 ( -8.068 -0.287 -10.414) 13.177 3.810 ( 2.537 2.365 -6.417) 7.295 4.012 ( -2.927 1.435 -14.407) 14.771 4.097 ( -1.694 -2.013 -0.155) 2.636 4.449 ( -6.321 -0.516 8.045) 10.245 4.879 ( -0.410 -1.833 -3.418) 3.900 5.003 ( -6.110 -7.203 -10.414) 14.059 5.535 ( -5.496 3.433 3.734) 7.479 5.674 ( -5.719 -0.973 2.498) 6.316 6.251 ( 7.589 3.158 -15.789) 17.801 6.402 ( 3.641 -2.894 -7.528) 8.849 7.003 ( 5.769 5.421 12.289) 14.618 7.337 ( 6.510 1.918 14.570) 16.073 7.432 ( -6.681 2.226 16.469) 17.911 7.675 ( -3.846 -0.188 6.073) 7.191 8.218 ( 8.512 -3.630 -18.139) 20.363 8.411 ( 6.900 2.715 -5.638) 9.315 8.542 ( 4.862 -0.127 -1.310) 5.037 8.825 ( -2.580 -2.874 -5.376) 6.619 9.399 ( -5.239 1.112 7.029) 8.837 9.630 ( -8.240 -0.309 24.793) 26.128 10.280 ( 5.856 3.033 -0.572) 6.620 10.608 ( 6.001 0.248 -0.498) 6.026 10.779 ( -3.574 1.468 4.815) 6.173 11.458 ( -9.453 4.919 8.454) 13.603 11.648 ( 8.850 1.621 -14.520) 17.081 12.419 ( -7.376 1.922 -14.407) 16.299 13.464 ( 6.620 -5.545 6.328) 10.705 13.854 ( -2.959 5.327 4.931) 7.839 14.110 ( -0.593 -8.863 -6.940) 11.273 14.417 ( -6.491 -0.591 -5.123) 8.290======================= Grid point 346 (120/180) =======================q-point: ( 0.45 0.44 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 495Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.382 ( 2.448 3.626 10.524) 11.397 2.463 ( -5.657 -1.972 10.060) 11.709 2.857 ( 4.068 -2.431 2.224) 5.235 2.904 ( -0.828 -5.810 2.333) 6.316 3.465 ( 1.134 3.195 -7.363) 8.107 3.538 ( -6.131 0.963 -8.457) 10.490 3.882 ( 3.564 1.190 -10.008) 10.690 3.942 ( -3.260 0.850 -15.336) 15.702 4.137 ( 5.567 -1.421 3.107) 6.532 4.292 ( -9.294 -1.463 7.009) 11.732 4.889 ( 1.363 -1.450 -5.625) 5.967 4.926 ( -2.455 -4.418 -7.671) 9.186 5.493 ( 1.244 0.444 4.136) 4.341 5.564 ( -5.281 -0.701 3.902) 6.603 6.370 ( 4.657 3.016 -18.417) 19.234 6.427 ( -1.001 0.572 -16.980) 17.020 7.129 ( 7.229 1.410 19.585) 20.924 7.281 ( -8.133 0.338 20.729) 22.270 7.469 ( 6.470 3.438 12.225) 14.253 7.584 ( -5.292 1.325 9.344) 10.820 8.385 ( 8.106 -0.798 -14.721) 16.824 8.496 ( -1.783 4.162 -6.894) 8.248 8.604 ( 5.994 -3.863 -6.847) 9.886 8.746 ( -6.556 -3.926 -9.650) 12.309 9.374 ( 3.041 0.848 17.644) 17.924 9.481 ( -7.039 0.657 22.759) 23.831 10.418 ( 7.836 2.689 -0.683) 8.312 10.570 ( -7.253 2.008 -1.282) 7.634 10.893 ( 12.661 1.258 9.263) 15.738 11.177 ( -15.779 1.165 11.414) 19.509 11.916 ( 15.392 5.567 -17.757) 24.150 12.205 ( -13.754 4.247 -16.131) 21.620 13.615 ( 8.172 -5.004 5.719) 11.159 13.762 ( -6.547 -2.007 6.075) 9.154 14.158 ( 5.158 -3.638 -7.840) 10.065 14.283 ( -7.055 -1.490 -6.452) 9.676======================= Grid point 396 (121/180) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( 0.000 0.000 20.804) 20.804 2.099 ( 0.000 0.000 23.350) 23.350 2.513 ( 0.000 0.000 -11.850) 11.850 2.940 ( 0.000 0.000 -22.388) 22.388 3.488 ( 0.000 0.000 -9.346) 9.346 3.495 ( 0.000 0.000 -11.445) 11.445 3.566 ( 0.000 0.000 6.886) 6.886 3.678 ( 0.000 0.000 -0.799) 0.799 4.536 ( 0.000 0.000 6.634) 6.634 4.536 ( 0.000 0.000 22.737) 22.737 4.626 ( 0.000 0.000 13.159) 13.159 4.877 ( 0.000 0.000 -10.180) 10.180 5.627 ( 0.000 0.000 8.302) 8.302 6.016 ( 0.000 0.000 9.626) 9.626 6.615 ( 0.000 0.000 4.888) 4.888 6.774 ( 0.000 0.000 -2.315) 2.315 6.841 ( 0.000 0.000 -30.968) 30.968 6.849 ( 0.000 0.000 -17.745) 17.745 7.262 ( 0.000 0.000 10.096) 10.096 7.569 ( 0.000 0.000 -7.927) 7.927 7.607 ( 0.000 0.000 6.244) 6.244 7.873 ( 0.000 0.000 -7.281) 7.281 8.041 ( 0.000 0.000 -4.488) 4.488 8.067 ( 0.000 0.000 -3.806) 3.806 8.898 ( 0.000 0.000 26.034) 26.034 9.730 ( 0.000 0.000 -14.524) 14.524 10.467 ( 0.000 0.000 7.743) 7.743 10.692 ( 0.000 0.000 -2.615) 2.615 11.803 ( 0.000 0.000 3.619) 3.619 11.906 ( 0.000 0.000 -2.897) 2.897 12.158 ( 0.000 0.000 0.984) 0.984 12.297 ( 0.000 0.000 -5.217) 5.217 13.534 ( 0.000 0.000 11.128) 11.128 13.932 ( 0.000 0.000 -8.926) 8.926 14.289 ( 0.000 0.000 9.903) 9.903 14.630 ( 0.000 0.000 -7.662) 7.662======================= Grid point 397 (122/180) =======================q-point: ( 0.09 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( 9.076 0.000 19.586) 21.587 2.068 ( -2.727 0.000 23.387) 23.546 2.578 ( 6.483 0.000 -11.216) 12.955 2.922 ( -1.781 0.000 -22.282) 22.354 3.400 ( -7.436 0.000 -7.028) 10.232 3.442 ( -4.164 0.000 -9.398) 10.279 3.561 ( -2.415 0.000 2.407) 3.410 3.653 ( -2.490 0.000 -1.626) 2.974 4.458 ( 3.706 0.000 14.930) 15.383 4.652 ( 3.333 0.000 10.541) 11.056 4.812 ( 15.693 0.000 9.906) 18.558 4.937 ( 4.799 0.000 -6.729) 8.265 5.624 ( -0.165 0.000 9.239) 9.240 5.877 ( -11.973 0.000 8.448) 14.653 6.501 ( -15.995 0.000 -8.231) 17.989 6.725 ( 8.084 0.000 -0.297) 8.090 6.851 ( 2.321 0.000 -22.574) 22.693 7.078 ( 10.781 0.000 -8.166) 13.525 7.192 ( -6.818 0.000 8.510) 10.904 7.323 ( -9.995 0.000 -0.133) 9.996 7.955 ( 8.393 0.000 -3.334) 9.031 7.973 ( 20.612 0.000 -3.270) 20.870 8.064 ( 1.532 0.000 -5.053) 5.280 8.107 ( 6.075 0.000 -6.990) 9.261 8.931 ( 3.390 0.000 25.493) 25.718 9.746 ( 1.739 0.000 -14.139) 14.246 10.426 ( -4.172 0.000 8.177) 9.180 10.672 ( -2.046 0.000 -3.063) 3.684 11.503 ( -23.237 0.000 3.450) 23.492 11.567 ( -22.614 0.000 -2.125) 22.714 12.417 ( 13.270 0.000 -1.002) 13.308 12.453 ( 8.043 0.000 -2.420) 8.399 13.416 ( -9.317 0.000 12.262) 15.400 13.869 ( -4.402 0.000 -10.805) 11.667 14.356 ( 5.337 0.000 9.227) 10.659 14.679 ( 3.834 0.000 -7.392) 8.327======================= Grid point 398 (123/180) =======================q-point: ( 0.18 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( -1.757 0.000 22.114) 22.184 2.175 ( 14.383 0.000 16.520) 21.904 2.752 ( 11.174 0.000 -9.811) 14.870 2.872 ( -3.361 0.000 -21.458) 21.719 3.225 ( -10.595 0.000 -7.028) 12.714 3.352 ( -4.467 0.000 -10.853) 11.736 3.505 ( -1.965 0.000 3.478) 3.995 3.602 ( -1.885 0.000 -2.495) 3.127 4.652 ( 14.880 0.000 9.490) 17.648 4.763 ( 7.590 0.000 9.150) 11.888 5.012 ( 2.029 0.000 -1.762) 2.687 5.085 ( 10.943 0.000 2.331) 11.189 5.623 ( -12.917 0.000 4.955) 13.834 5.631 ( 0.994 0.000 10.228) 10.276 6.210 ( -12.761 0.000 -4.102) 13.404 6.823 ( 2.996 0.000 -16.660) 16.927 6.905 ( -4.950 0.000 1.424) 5.150 7.083 ( -8.617 0.000 2.796) 9.059 7.098 ( 4.014 0.000 5.683) 6.957 7.304 ( 5.034 0.000 -5.961) 7.802 8.051 ( 1.430 0.000 -1.274) 1.915 8.177 ( 13.194 0.000 -1.325) 13.261 8.256 ( 9.499 0.000 -7.067) 11.840 8.451 ( 23.846 0.000 -9.420) 25.639 9.035 ( 7.496 0.000 23.111) 24.297 9.797 ( 3.383 0.000 -12.807) 13.246 10.305 ( -8.347 0.000 9.040) 12.304 10.609 ( -4.628 0.000 -4.843) 6.699 11.042 ( -22.585 0.000 5.433) 23.229 11.132 ( -21.335 0.000 -2.409) 21.471 12.464 ( -7.683 0.000 -0.572) 7.704 12.474 ( -9.926 0.000 -0.649) 9.947 13.340 ( 4.719 0.000 11.869) 12.773 13.847 ( 3.303 0.000 -13.569) 13.965 14.446 ( 3.269 0.000 8.023) 8.664 14.737 ( 1.605 0.000 -6.893) 7.077======================= Grid point 399 (124/180) =======================q-point: ( 0.27 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( 2.159 0.000 17.551) 17.684 2.453 ( 12.888 0.000 10.967) 16.922 2.800 ( -3.751 0.000 -18.817) 19.188 2.970 ( -0.525 0.000 -12.683) 12.693 3.025 ( 1.582 0.000 -0.715) 1.736 3.294 ( -0.779 0.000 -12.364) 12.389 3.505 ( 1.716 0.000 3.381) 3.792 3.602 ( 1.992 0.000 -3.008) 3.608 4.909 ( 5.725 0.000 10.649) 12.090 4.990 ( -4.266 0.000 5.925) 7.300 4.994 ( 19.577 0.000 3.332) 19.858 5.200 ( 1.235 0.000 -2.981) 3.227 5.434 ( -4.612 0.000 -3.123) 5.570 5.603 ( -6.397 0.000 -2.940) 7.040 6.106 ( 4.499 0.000 12.566) 13.347 6.657 ( -15.309 0.000 10.076) 18.327 6.881 ( -12.144 0.000 -0.287) 12.147 6.924 ( 5.817 0.000 -20.795) 21.593 7.252 ( 7.595 0.000 5.788) 9.550 7.331 ( -2.923 0.000 2.288) 3.713 8.135 ( 7.602 0.000 -0.863) 7.651 8.398 ( 10.341 0.000 -12.606) 16.304 8.518 ( 16.187 0.000 6.509) 17.447 8.854 ( 16.153 0.000 -3.826) 16.600 9.222 ( 11.126 0.000 16.743) 20.103 9.871 ( 3.873 0.000 -9.947) 10.674 10.111 ( -10.862 0.000 8.965) 14.084 10.470 ( -10.568 0.000 -9.132) 13.967 10.683 ( -13.038 0.000 5.837) 14.286 10.789 ( -12.250 0.000 -0.928) 12.285 12.107 ( -24.488 0.000 2.011) 24.570 12.187 ( -19.319 0.000 -2.989) 19.549 13.547 ( 13.898 0.000 8.382) 16.230 13.981 ( 9.356 0.000 -13.061) 16.066 14.470 ( -0.921 0.000 6.845) 6.907 14.732 ( -2.093 0.000 -6.526) 6.854======================= Grid point 400 (125/180) =======================q-point: ( 0.36 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.107 ( 6.780 0.000 10.704) 12.670 2.629 ( 4.864 0.000 -1.552) 5.105 2.738 ( -2.426 0.000 -13.396) 13.614 2.745 ( -12.897 0.000 -5.142) 13.885 3.261 ( 12.540 0.000 -3.311) 12.970 3.350 ( 6.703 0.000 -8.650) 10.943 3.552 ( 2.431 0.000 2.953) 3.825 3.659 ( 2.751 0.000 -3.623) 4.549 4.851 ( -6.376 0.000 12.932) 14.418 4.962 ( -2.061 0.000 7.336) 7.620 5.178 ( -2.136 0.000 -3.956) 4.495 5.365 ( 7.734 0.000 -10.071) 12.698 5.448 ( 3.258 0.000 -0.948) 3.393 5.482 ( 8.688 0.000 -4.212) 9.655 6.313 ( 12.917 0.000 17.149) 21.470 6.340 ( -16.901 0.000 8.594) 18.960 6.616 ( -14.006 0.000 -2.428) 14.215 7.054 ( 7.335 0.000 -15.036) 16.730 7.200 ( -10.040 0.000 8.449) 13.122 7.342 ( 1.336 0.000 2.406) 2.752 8.339 ( 12.833 0.000 1.208) 12.890 8.615 ( 12.048 0.000 -11.942) 16.964 8.816 ( 13.112 0.000 7.999) 15.360 9.033 ( 1.062 0.000 2.507) 2.722 9.407 ( 7.621 0.000 17.751) 19.318 9.924 ( 1.005 0.000 -5.234) 5.329 9.926 ( -7.963 0.000 9.921) 12.721 10.230 ( -11.925 0.000 -9.502) 15.248 10.591 ( 4.911 0.000 -1.645) 5.179 10.677 ( 0.238 0.000 -2.393) 2.405 11.603 ( -26.225 0.000 1.703) 26.280 11.761 ( -23.683 0.000 -7.203) 24.754 13.823 ( 13.888 0.000 6.565) 15.361 14.177 ( 10.298 0.000 -11.043) 15.100 14.410 ( -5.119 0.000 5.950) 7.849 14.660 ( -5.240 0.000 -6.670) 8.482======================= Grid point 401 (126/180) =======================q-point: ( 0.45 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.275 ( 10.342 0.000 3.976) 11.080 2.498 ( -12.323 0.000 -1.305) 12.391 2.675 ( 1.230 0.000 -11.129) 11.197 2.701 ( -1.562 0.000 -10.475) 10.591 3.468 ( 8.236 0.000 -0.688) 8.264 3.519 ( 9.236 0.000 -3.902) 10.026 3.566 ( -1.789 0.000 1.735) 2.492 3.657 ( -3.881 0.000 -3.404) 5.163 4.795 ( 1.288 0.000 10.945) 11.021 4.876 ( -5.652 0.000 7.436) 9.340 5.159 ( 1.009 0.000 -6.313) 6.393 5.234 ( -6.690 0.000 -9.839) 11.898 5.715 ( 14.241 0.000 1.064) 14.281 5.825 ( 21.376 0.000 -2.319) 21.501 6.014 ( -16.358 0.000 5.579) 17.283 6.221 ( -18.651 0.000 -2.505) 18.818 6.669 ( 15.162 0.000 14.050) 20.671 6.961 ( -14.157 0.000 12.125) 18.640 7.197 ( 6.991 0.000 -9.121) 11.492 7.310 ( -4.217 0.000 -3.145) 5.261 8.614 ( 15.062 0.000 3.540) 15.473 8.844 ( 10.489 0.000 -7.148) 12.693 8.896 ( -12.858 0.000 4.237) 13.538 8.960 ( 0.316 0.000 1.567) 1.599 9.572 ( 9.661 0.000 19.412) 21.683 9.762 ( -9.408 0.000 15.968) 18.533 9.938 ( 2.459 0.000 -1.982) 3.158 10.044 ( -7.671 0.000 -3.594) 8.471 10.797 ( 12.041 0.000 -3.855) 12.643 10.854 ( 19.924 0.000 -10.162) 22.365 11.130 ( -21.596 0.000 -1.106) 21.624 11.292 ( -24.112 0.000 -10.532) 26.311 14.074 ( 11.778 0.000 5.718) 13.092 14.274 ( -8.786 0.000 5.538) 10.385 14.369 ( 9.326 0.000 -9.044) 12.990 14.534 ( -7.602 0.000 -7.520) 10.693======================= Grid point 407 (127/180) =======================q-point: ( 0.00 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( 0.000 12.070 20.347) 23.658 2.182 ( 0.000 8.061 21.792) 23.235 2.634 ( 0.000 11.692 -11.751) 16.576 2.961 ( 0.000 1.775 -19.829) 19.909 3.376 ( 0.000 -3.940 -4.125) 5.705 3.599 ( 0.000 2.710 6.867) 7.382 3.650 ( 0.000 8.544 -16.231) 18.342 3.743 ( 0.000 5.916 -1.753) 6.170 4.482 ( 0.000 -4.060 21.110) 21.496 4.580 ( 0.000 4.414 4.997) 6.667 4.640 ( 0.000 1.646 13.733) 13.832 4.895 ( 0.000 1.943 -9.585) 9.780 5.662 ( 0.000 3.295 9.140) 9.715 6.050 ( 0.000 3.507 8.565) 9.255 6.557 ( 0.000 -5.863 4.762) 7.553 6.697 ( 0.000 -7.371 -1.096) 7.452 6.794 ( 0.000 -4.944 -21.045) 21.618 6.839 ( 0.000 -0.361 -26.584) 26.587 7.290 ( 0.000 2.513 10.017) 10.327 7.613 ( 0.000 3.590 -5.900) 6.906 7.750 ( 0.000 13.907 7.834) 15.962 7.992 ( 0.000 -5.693 -2.900) 6.389 8.054 ( 0.000 16.552 -7.203) 18.051 8.059 ( 0.000 0.664 -8.037) 8.065 8.908 ( 0.000 1.585 23.760) 23.813 9.698 ( 0.000 -2.819 -14.128) 14.406 10.455 ( 0.000 -1.117 8.633) 8.705 10.710 ( 0.000 1.597 -3.205) 3.581 11.752 ( 0.000 -5.027 3.570) 6.166 11.862 ( 0.000 -4.520 -3.437) 5.678 12.047 ( 0.000 -10.553 1.497) 10.659 12.197 ( 0.000 -9.372 -4.872) 10.563 13.604 ( 0.000 6.430 10.552) 12.357 13.986 ( 0.000 5.102 -8.744) 10.124 14.276 ( 0.000 -1.335 10.071) 10.159 14.619 ( 0.000 -1.153 -7.634) 7.720======================= Grid point 408 (128/180) =======================q-point: ( 0.09 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( 3.924 8.916 20.215) 22.439 2.174 ( 0.637 9.618 21.489) 23.552 2.678 ( 4.350 9.716 -11.626) 15.764 2.947 ( -1.385 2.055 -19.388) 19.545 3.332 ( -4.162 -2.679 -4.857) 6.935 3.548 ( -6.333 7.236 -7.765) 12.360 3.592 ( -3.504 2.382 0.455) 4.261 3.716 ( -3.117 5.751 -3.138) 7.255 4.483 ( 3.341 2.469 12.797) 13.454 4.572 ( 3.660 -5.677 11.622) 13.442 4.863 ( 14.150 3.871 7.271) 16.373 4.958 ( 5.500 2.455 -6.509) 8.868 5.656 ( -0.938 2.339 10.516) 10.814 5.915 ( -10.727 4.296 6.753) 13.384 6.445 ( -15.330 -5.528 -7.618) 17.989 6.682 ( 9.973 -4.876 4.038) 11.813 6.838 ( 0.190 -0.895 -24.696) 24.713 6.949 ( 3.525 -8.378 -3.709) 9.817 7.288 ( 1.664 5.364 2.443) 6.124 7.416 ( -11.038 8.352 -1.343) 13.907 7.938 ( 9.126 -2.537 -1.255) 9.555 7.991 ( 0.264 -2.537 -2.390) 3.495 8.087 ( 9.677 10.150 -1.905) 14.153 8.272 ( 15.261 12.642 -8.720) 21.650 8.944 ( 3.774 2.051 22.770) 23.172 9.714 ( 1.661 -2.825 -13.716) 14.102 10.418 ( -3.768 -0.770 8.818) 9.621 10.685 ( -2.516 1.196 -3.588) 4.543 11.458 ( -22.304 -4.534 2.442) 22.890 11.507 ( -22.316 -5.920 -1.566) 23.141 12.335 ( 14.455 -7.873 -1.115) 16.497 12.363 ( 8.959 -8.301 -1.852) 12.353 13.503 ( -8.297 7.943 10.892) 15.830 13.898 ( -6.192 2.590 -8.353) 10.716 14.353 ( 5.585 -0.233 7.758) 9.562 14.656 ( 2.909 -2.276 -7.173) 8.068======================= Grid point 409 (129/180) =======================q-point: ( 0.18 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.050 ( -0.736 4.784 21.551) 22.088 2.294 ( 10.904 9.847 17.041) 22.500 2.785 ( 5.202 3.533 -12.351) 13.860 2.918 ( -0.420 3.626 -16.281) 16.685 3.224 ( -7.021 1.061 -7.639) 10.429 3.397 ( -7.435 3.780 -10.482) 13.396 3.543 ( -1.327 3.874 3.700) 5.519 3.648 ( -2.875 4.123 -2.627) 5.671 4.632 ( 10.268 -3.118 8.805) 13.881 4.699 ( 9.097 -3.679 7.973) 12.643 5.035 ( 3.344 2.046 -0.855) 4.013 5.114 ( 8.337 2.386 0.088) 8.672 5.581 ( -7.434 -1.515 6.958) 10.294 5.753 ( -4.892 7.990 4.217) 10.274 6.187 ( -8.827 -1.161 -0.967) 8.956 6.773 ( -9.112 -10.192 5.394) 14.697 6.856 ( 6.351 0.903 -13.451) 14.903 6.956 ( 0.264 -6.609 -2.354) 7.020 7.201 ( -5.243 8.336 2.610) 10.188 7.425 ( 6.351 7.061 -5.209) 10.832 7.986 ( 1.809 -5.165 -2.336) 5.950 8.123 ( 8.796 -5.222 -7.977) 12.972 8.346 ( 15.314 12.210 3.942) 19.979 8.601 ( 17.097 8.808 -5.241) 19.934 9.062 ( 8.462 3.600 18.527) 20.684 9.764 ( 3.495 -2.458 -12.466) 13.178 10.310 ( -7.259 0.460 8.903) 11.496 10.610 ( -5.479 0.069 -5.278) 7.608 11.025 ( -20.868 -2.610 2.562) 21.186 11.086 ( -19.919 -3.410 -0.576) 20.217 12.385 ( -7.809 -5.779 1.879) 9.895 12.469 ( -2.934 -2.667 -2.919) 4.923 13.408 ( 1.482 6.540 10.473) 12.435 13.837 ( 1.191 -1.034 -10.337) 10.457 14.440 ( 2.920 -0.510 6.101) 6.783 14.698 ( 0.921 -3.877 -6.469) 7.597======================= Grid point 410 (130/180) =======================q-point: ( 0.27 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( 2.044 4.141 18.089) 18.669 2.526 ( 11.493 6.819 11.410) 17.572 2.788 ( -3.581 -0.502 -13.284) 13.768 2.969 ( -1.299 0.129 -12.023) 12.094 3.111 ( 1.403 7.482 -6.736) 10.165 3.298 ( -2.248 0.475 -11.274) 11.506 3.551 ( 2.052 4.507 2.986) 5.783 3.630 ( 1.133 2.575 -2.139) 3.534 4.803 ( 5.970 -8.353 11.207) 15.200 4.862 ( 2.560 -6.909 6.000) 9.502 5.098 ( 7.886 3.199 1.339) 8.615 5.192 ( 0.651 -0.703 -3.554) 3.681 5.464 ( -2.928 3.101 -5.028) 6.593 5.604 ( -10.887 -1.503 -5.854) 12.452 6.203 ( 9.356 9.900 15.163) 20.383 6.524 ( -14.748 -10.765 9.342) 20.510 6.818 ( -12.172 -6.382 -3.257) 14.124 6.981 ( 6.599 6.555 -15.750) 18.291 7.263 ( 7.329 2.943 7.995) 11.238 7.483 ( -1.121 10.035 1.417) 10.197 8.074 ( 7.393 -4.365 -2.901) 9.062 8.301 ( 9.796 -7.305 -12.400) 17.409 8.648 ( 15.061 10.057 6.947) 19.397 8.879 ( 10.492 0.504 2.262) 10.745 9.251 ( 9.548 2.658 14.000) 17.153 9.852 ( 5.477 0.135 -10.469) 11.816 10.152 ( -8.286 3.268 7.779) 11.826 10.457 ( -10.491 -0.967 -9.383) 14.108 10.695 ( -11.355 0.117 2.759) 11.686 10.783 ( -10.426 0.629 0.674) 10.467 12.080 ( -21.769 -1.463 4.009) 22.183 12.247 ( -17.771 4.060 -4.787) 18.847 13.559 ( 11.916 1.290 7.780) 14.289 13.937 ( 8.068 -4.335 -10.222) 13.725 14.458 ( -1.117 -1.119 4.772) 5.027 14.683 ( -2.435 -4.868 -6.048) 8.137======================= Grid point 411 (131/180) =======================q-point: ( 0.36 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.138 ( 6.321 3.301 11.794) 13.782 2.666 ( -3.264 1.426 -6.544) 7.451 2.711 ( 0.771 3.181 2.415) 4.067 2.842 ( -6.298 5.756 -14.983) 17.242 3.273 ( 10.116 0.251 -4.451) 11.054 3.333 ( 6.241 -0.589 -7.115) 9.482 3.603 ( 2.491 4.539 1.968) 5.539 3.671 ( 1.884 1.102 -2.379) 3.228 4.759 ( -5.853 -8.627 13.283) 16.886 4.881 ( -0.837 -7.387 8.735) 11.470 5.158 ( -2.399 -2.294 -4.402) 5.513 5.319 ( -2.208 -5.337 -13.958) 15.106 5.423 ( 8.672 -0.935 0.250) 8.726 5.523 ( 6.642 3.402 -5.786) 9.443 6.209 ( -14.913 -9.852 9.047) 20.033 6.429 ( 1.620 4.973 7.732) 9.335 6.588 ( -2.780 2.764 3.481) 5.243 7.115 ( 6.244 7.187 -7.662) 12.221 7.337 ( -2.988 10.167 5.274) 11.836 7.430 ( -0.883 7.242 4.987) 8.837 8.257 ( 11.084 -5.484 -0.744) 12.389 8.516 ( 12.369 -8.753 -12.850) 19.867 8.880 ( 6.032 0.104 6.797) 9.088 8.974 ( -0.346 -2.987 2.865) 4.154 9.410 ( 8.181 1.265 18.610) 20.368 9.927 ( -0.949 2.596 2.735) 3.889 10.012 ( -5.030 4.725 1.337) 7.030 10.260 ( -7.817 3.682 -8.432) 12.073 10.637 ( 4.935 4.097 -2.448) 6.866 10.694 ( 2.509 2.328 -3.070) 4.598 11.611 ( -25.155 1.434 3.546) 25.444 11.842 ( -22.927 6.988 -8.181) 25.326 13.809 ( 13.014 -1.342 6.076) 14.425 14.112 ( 9.165 -6.268 -7.691) 13.507 14.400 ( -4.587 -1.160 2.980) 5.591 14.607 ( -5.302 -5.274 -6.219) 9.727======================= Grid point 412 (132/180) =======================q-point: ( 0.45 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.295 ( 9.511 2.085 5.476) 11.171 2.494 ( -10.559 0.263 0.434) 10.572 2.745 ( 0.981 6.463 -10.403) 12.287 2.770 ( -1.908 6.298 -13.116) 14.674 3.456 ( 8.392 -3.269 -0.248) 9.009 3.487 ( 6.698 -0.460 -0.679) 6.748 3.619 ( -0.911 3.622 -1.054) 3.881 3.657 ( -3.622 0.354 -3.139) 4.806 4.715 ( 2.036 -7.804 11.755) 14.255 4.806 ( -5.748 -6.819 8.923) 12.616 5.124 ( -0.013 -3.560 -6.465) 7.380 5.181 ( -5.870 -5.504 -10.095) 12.910 5.663 ( 11.966 -3.391 0.862) 12.467 5.793 ( 16.828 -4.137 -4.615) 17.933 5.927 ( -12.345 -5.159 3.984) 13.960 6.166 ( -18.072 -4.977 -6.465) 19.828 6.818 ( 15.253 13.958 15.430) 25.799 7.086 ( -10.956 11.583 12.795) 20.443 7.318 ( 4.797 10.625 -6.462) 13.328 7.408 ( -3.126 7.969 -0.537) 8.577 8.498 ( 13.419 -8.983 3.000) 16.425 8.728 ( -1.152 -10.505 -0.471) 10.578 8.806 ( 1.126 -7.945 -3.982) 8.958 8.957 ( -4.810 -2.969 -3.370) 6.581 9.593 ( 10.216 2.552 19.582) 22.234 9.790 ( -9.752 2.485 17.298) 20.013 10.012 ( 4.047 6.387 -2.052) 7.835 10.130 ( -6.789 7.955 -2.575) 10.771 10.800 ( 13.027 1.317 -2.467) 13.324 10.946 ( 19.791 8.172 -10.771) 23.968 11.147 ( -21.436 2.440 0.441) 21.579 11.384 ( -23.687 8.360 -11.168) 27.490 14.046 ( 11.094 -2.766 5.421) 12.654 14.215 ( -3.842 -5.786 3.936) 7.983 14.347 ( 4.292 -2.288 -7.274) 8.751 14.483 ( -7.252 -5.065 -7.187) 11.397======================= Grid point 418 (133/180) =======================q-point: ( 0.00 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.251 ( 0.000 14.316 20.399) 24.921 2.384 ( 0.000 11.595 17.781) 21.227 2.920 ( 0.000 15.854 -12.190) 19.999 2.988 ( 0.000 0.723 -10.419) 10.444 3.353 ( 0.000 1.566 -1.649) 2.274 3.632 ( 0.000 -0.142 7.438) 7.440 3.813 ( 0.000 7.783 -19.687) 21.170 3.865 ( 0.000 5.316 -4.363) 6.877 4.447 ( 0.000 2.231 19.081) 19.211 4.700 ( 0.000 7.274 2.822) 7.803 4.724 ( 0.000 7.691 10.545) 13.051 4.962 ( 0.000 5.352 -8.296) 9.873 5.720 ( 0.000 1.256 11.754) 11.821 6.167 ( 0.000 9.096 4.422) 10.114 6.391 ( 0.000 -11.015 5.394) 12.265 6.507 ( 0.000 -11.567 -0.060) 11.567 6.654 ( 0.000 -9.009 -17.998) 20.127 6.854 ( 0.000 2.264 -25.297) 25.399 7.344 ( 0.000 2.425 10.446) 10.723 7.648 ( 0.000 -2.020 -2.476) 3.195 7.846 ( 0.000 -7.584 0.301) 7.590 8.073 ( 0.000 15.350 12.411) 19.740 8.126 ( 0.000 6.751 -15.605) 17.003 8.406 ( 0.000 17.034 -2.716) 17.249 9.013 ( 0.000 10.567 14.068) 17.594 9.658 ( 0.000 0.555 -14.268) 14.279 10.425 ( 0.000 -2.044 10.392) 10.591 10.738 ( 0.000 0.759 -4.055) 4.126 11.619 ( 0.000 -7.969 2.918) 8.486 11.727 ( 0.000 -9.251 -4.598) 10.331 11.786 ( 0.000 -15.068 2.793) 15.325 11.975 ( 0.000 -12.332 -4.956) 13.290 13.753 ( 0.000 8.082 9.825) 12.722 14.107 ( 0.000 6.694 -8.132) 10.533 14.239 ( 0.000 -2.374 10.427) 10.694 14.585 ( 0.000 -2.288 -7.528) 7.868======================= Grid point 419 (134/180) =======================q-point: ( 0.09 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.258 ( -0.460 13.455 19.346) 23.569 2.388 ( 1.843 11.077 19.005) 22.075 2.905 ( -1.379 9.681 -12.171) 15.613 2.994 ( 0.543 5.112 -9.095) 10.447 3.329 ( -2.020 2.294 -3.751) 4.839 3.623 ( -3.116 0.497 1.345) 3.430 3.709 ( -6.269 8.824 -9.930) 14.689 3.833 ( -4.402 4.959 -4.667) 8.109 4.503 ( 2.774 0.280 11.732) 12.059 4.551 ( -0.348 4.219 6.924) 8.116 4.963 ( 10.314 6.917 1.953) 12.572 5.036 ( 7.392 5.204 -4.456) 10.079 5.662 ( -5.722 -2.330 12.051) 13.542 6.055 ( -8.128 8.126 0.903) 11.529 6.310 ( -10.156 -6.410 -3.011) 12.382 6.537 ( 10.013 -9.260 5.875) 14.851 6.720 ( -3.554 -10.652 -3.219) 11.681 6.904 ( 7.114 3.496 -24.012) 25.287 7.368 ( 3.417 3.169 3.659) 5.925 7.571 ( -8.707 4.243 -3.789) 10.400 7.848 ( 1.189 -5.411 0.904) 5.613 7.977 ( 0.333 2.656 -2.222) 3.478 8.342 ( 12.368 10.871 0.739) 16.483 8.518 ( 9.925 12.571 -0.583) 16.027 9.063 ( 5.103 10.902 12.340) 17.239 9.681 ( 2.544 1.492 -14.016) 14.323 10.397 ( -2.836 -1.481 9.970) 10.471 10.706 ( -3.275 0.481 -4.516) 5.600 11.313 ( -22.415 -10.467 0.223) 24.739 11.380 ( -17.644 -5.670 0.064) 18.533 12.135 ( 15.019 -12.004 -1.283) 19.270 12.160 ( 12.237 -11.847 -2.060) 17.157 13.683 ( -6.317 9.469 8.948) 14.478 13.953 ( -9.851 2.849 -2.305) 10.511 14.349 ( 6.016 -0.135 3.794) 7.114 14.596 ( 0.738 -3.604 -6.709) 7.651======================= Grid point 420 (135/180) =======================q-point: ( 0.18 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.218 ( -2.619 11.701 19.426) 22.829 2.489 ( 7.979 8.949 17.795) 21.458 2.866 ( -2.753 2.936 -10.581) 11.321 3.006 ( 0.595 7.126 -7.511) 10.371 3.289 ( -1.883 4.858 -9.702) 11.012 3.466 ( -9.843 2.958 -9.757) 14.171 3.658 ( -1.023 7.588 1.150) 7.742 3.735 ( -4.248 4.170 -2.135) 6.325 4.536 ( 4.227 -4.573 10.441) 12.157 4.681 ( 7.882 0.988 1.871) 8.161 5.074 ( 1.467 0.917 -0.655) 1.850 5.151 ( 2.025 0.844 -2.693) 3.473 5.567 ( -1.816 0.994 3.972) 4.479 5.821 ( -15.456 -3.191 -6.456) 17.051 6.274 ( 6.219 12.023 9.869) 16.752 6.552 ( -11.653 -11.837 5.929) 17.637 6.700 ( 4.763 -11.695 3.894) 13.214 7.038 ( 6.235 9.433 -15.823) 19.448 7.368 ( -7.246 7.883 0.144) 10.708 7.517 ( 8.789 2.516 -7.256) 11.672 7.876 ( 2.080 -4.964 1.168) 5.507 8.073 ( 7.302 -0.807 -6.492) 9.804 8.563 ( 10.010 3.683 7.176) 12.855 8.733 ( 11.163 8.433 1.562) 14.077 9.192 ( 7.273 8.761 11.068) 15.880 9.767 ( 6.592 4.717 -13.436) 15.692 10.320 ( -4.803 0.588 8.505) 9.785 10.610 ( -6.800 -0.230 -6.954) 9.728 10.907 ( -18.030 -7.865 2.447) 19.823 11.059 ( -14.499 0.124 -0.914) 14.528 12.245 ( -2.272 -8.589 2.875) 9.338 12.367 ( 4.843 -7.419 -4.437) 9.909 13.570 ( -3.300 9.205 7.502) 12.325 13.810 ( -3.698 -1.462 -2.926) 4.937 14.428 ( 2.024 -0.857 1.874) 2.889 14.597 ( -0.901 -5.912 -5.445) 8.088======================= Grid point 421 (136/180) =======================q-point: ( 0.27 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( 0.330 9.524 17.896) 20.276 2.670 ( 9.950 6.148 14.259) 18.442 2.795 ( -4.615 1.443 -6.323) 7.960 3.003 ( -1.521 4.425 -11.185) 12.124 3.271 ( 0.023 8.116 -13.034) 15.355 3.304 ( -5.193 -0.022 -8.918) 10.320 3.653 ( 0.697 4.226 1.626) 4.581 3.700 ( 0.515 5.314 -1.031) 5.438 4.630 ( 2.866 -9.036 12.219) 15.465 4.746 ( -2.529 -4.477 5.492) 7.523 5.059 ( 1.214 -6.643 -3.759) 7.729 5.191 ( 2.294 -0.942 -7.332) 7.740 5.511 ( -12.452 -2.084 -6.254) 14.090 5.582 ( -0.373 4.741 -5.753) 7.464 6.284 ( -12.824 -9.136 10.256) 18.791 6.479 ( 8.098 10.677 9.174) 16.240 6.686 ( -3.120 -4.095 2.465) 5.708 7.167 ( 7.259 11.646 -8.392) 16.086 7.331 ( 3.661 4.177 6.476) 8.532 7.654 ( 2.647 6.783 -1.332) 7.402 7.974 ( 9.095 -6.009 -4.632) 11.844 8.208 ( 6.247 -1.701 -9.678) 11.644 8.717 ( 5.202 -5.493 9.960) 12.508 8.906 ( 5.467 2.154 -0.275) 5.882 9.330 ( 7.488 7.061 15.372) 18.499 9.920 ( 7.616 5.911 -9.834) 13.772 10.218 ( -6.177 3.177 7.123) 9.949 10.440 ( -8.460 -0.570 -8.439) 11.963 10.695 ( -2.643 1.606 0.188) 3.098 10.830 ( -8.926 3.619 -1.075) 9.692 12.053 ( -16.501 -1.761 6.135) 17.692 12.302 ( -11.041 1.042 -7.012) 13.121 13.603 ( 6.443 3.195 5.825) 9.255 13.824 ( 4.627 -6.571 -3.818) 8.898 14.429 ( -1.859 -1.961 0.569) 2.762 14.555 ( -3.447 -7.629 -4.776) 9.638======================= Grid point 422 (137/180) =======================q-point: ( 0.36 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.239 ( 4.571 7.019 13.525) 15.909 2.677 ( -7.114 0.970 0.090) 7.180 2.845 ( 6.350 7.639 5.051) 11.144 2.951 ( -2.959 5.782 -17.671) 18.827 3.240 ( 1.502 -3.031 -7.205) 7.960 3.357 ( 6.114 2.227 -5.358) 8.429 3.675 ( 0.612 1.495 0.415) 1.667 3.724 ( 0.892 4.832 -1.539) 5.149 4.551 ( -6.198 -11.993 12.860) 18.645 4.728 ( -1.175 -6.949 9.265) 11.641 5.072 ( -1.603 -6.885 -6.607) 9.676 5.152 ( -7.971 -11.198 -15.681) 20.852 5.435 ( 7.293 2.518 1.924) 7.951 5.606 ( 2.691 4.684 -6.960) 8.810 6.047 ( -10.611 -5.471 6.485) 13.587 6.368 ( -13.715 -5.691 -8.927) 17.326 6.855 ( 14.948 18.210 17.076) 29.097 7.308 ( 6.509 11.181 -1.144) 12.988 7.447 ( 6.566 1.352 9.082) 11.288 7.619 ( -5.002 10.561 4.561) 12.545 8.187 ( 10.408 -2.321 -5.637) 12.062 8.336 ( 8.480 -7.976 -12.119) 16.804 8.723 ( -4.886 -10.903 6.846) 13.770 8.939 ( -1.696 -4.866 -3.144) 6.037 9.491 ( 8.601 6.328 18.256) 21.149 9.996 ( -2.124 3.966 9.325) 10.354 10.078 ( -3.762 2.467 -0.141) 4.501 10.375 ( -0.816 7.007 -7.575) 10.351 10.710 ( 0.532 3.520 -0.217) 3.567 10.818 ( 12.180 10.391 -8.719) 18.230 11.662 ( -22.428 3.298 6.663) 23.628 11.991 ( -19.614 7.445 -9.822) 23.165 13.777 ( 10.375 -1.728 4.623) 11.489 13.952 ( 7.495 -9.429 -2.326) 12.268 14.363 ( -4.681 -2.786 -1.241) 5.587 14.466 ( -5.574 -8.511 -4.997) 11.335======================= Grid point 423 (138/180) =======================q-point: ( 0.45 0.22 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.360 ( 7.633 4.651 8.453) 12.302 2.522 ( -8.574 2.564 4.233) 9.900 2.903 ( 0.626 8.623 -9.297) 12.696 2.912 ( -0.952 7.786 -16.819) 18.558 3.353 ( 8.496 -6.801 2.852) 11.251 3.458 ( 1.175 -3.435 3.652) 5.150 3.657 ( -0.627 1.100 -5.361) 5.508 3.704 ( -3.004 3.013 -4.158) 5.949 4.524 ( 3.759 -10.570 11.924) 16.372 4.645 ( -6.745 -8.482 10.134) 14.837 5.021 ( -2.366 -6.854 -7.791) 10.643 5.025 ( -3.391 -9.854 -11.075) 15.208 5.613 ( 8.067 -1.917 2.201) 8.579 5.685 ( 2.839 -4.189 1.653) 5.324 5.913 ( -0.304 2.713 -6.332) 6.895 6.086 ( -14.039 -2.128 -10.920) 17.913 7.141 ( 13.718 17.388 15.900) 27.264 7.349 ( -5.395 13.713 12.441) 19.286 7.534 ( 0.709 4.362 4.523) 6.324 7.536 ( 0.329 9.303 0.858) 9.349 8.352 ( 8.136 -4.654 -1.215) 9.452 8.497 ( -1.282 -12.044 -0.480) 12.122 8.631 ( 4.683 -8.640 -8.022) 12.686 8.828 ( -9.580 -9.103 -8.936) 15.953 9.659 ( 8.982 3.472 19.600) 21.838 9.842 ( -9.609 2.474 19.152) 21.570 10.153 ( 7.276 7.287 -3.121) 10.760 10.299 ( -6.792 8.098 -4.366) 11.435 10.859 ( 14.352 4.792 1.969) 15.258 11.136 ( 12.222 10.043 -7.057) 17.322 11.244 ( -13.178 7.754 -0.585) 15.301 11.581 ( -21.945 10.917 -12.369) 27.455 13.972 ( 8.965 -4.531 4.738) 11.106 14.065 ( 1.741 -8.966 3.274) 9.702 14.281 ( -1.521 -4.428 -6.109) 7.697 14.348 ( -6.172 -8.259 -6.425) 12.149======================= Grid point 429 (139/180) =======================q-point: ( 0.00 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.492 ( 0.000 9.745 20.747) 22.922 2.591 ( 0.000 8.265 13.370) 15.719 3.008 ( 0.000 2.297 0.699) 2.401 3.178 ( 0.000 8.537 -12.083) 14.794 3.418 ( 0.000 4.381 -0.998) 4.493 3.599 ( 0.000 -2.348 8.693) 9.004 3.930 ( 0.000 2.030 -7.450) 7.722 3.943 ( 0.000 5.134 -20.589) 21.219 4.598 ( 0.000 12.110 14.948) 19.238 4.836 ( 0.000 6.123 2.764) 6.718 4.941 ( 0.000 13.814 4.976) 14.683 5.113 ( 0.000 9.570 -8.178) 12.588 5.689 ( 0.000 -3.857 12.597) 13.174 6.129 ( 0.000 -15.556 7.667) 17.343 6.272 ( 0.000 -11.549 -1.262) 11.618 6.346 ( 0.000 0.102 -9.367) 9.368 6.519 ( 0.000 4.057 -5.292) 6.668 6.936 ( 0.000 6.114 -19.082) 20.037 7.350 ( 0.000 -2.683 6.483) 7.017 7.476 ( 0.000 -14.088 -2.233) 14.264 7.795 ( 0.000 2.649 7.176) 7.649 8.203 ( 0.000 -1.934 18.395) 18.497 8.311 ( 0.000 11.378 -18.349) 21.591 8.696 ( 0.000 9.986 -5.254) 11.284 9.291 ( 0.000 17.145 9.916) 19.806 9.826 ( 0.000 17.793 -16.017) 23.940 10.354 ( 0.000 -6.334 11.731) 13.331 10.716 ( 0.000 -3.535 -4.275) 5.547 11.476 ( 0.000 -6.308 0.825) 6.361 11.496 ( 0.000 -13.658 4.562) 14.400 11.513 ( 0.000 -11.238 -5.239) 12.399 11.743 ( 0.000 -10.967 -5.731) 12.374 13.903 ( 0.000 7.030 9.676) 11.960 14.185 ( 0.000 -3.151 10.634) 11.091 14.236 ( 0.000 6.380 -7.421) 9.787 14.529 ( 0.000 -3.414 -7.328) 8.084======================= Grid point 430 (140/180) =======================q-point: ( 0.09 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.500 ( -0.007 10.021 17.795) 20.423 2.578 ( -0.272 7.832 15.828) 17.662 2.963 ( -3.680 1.481 -0.558) 4.006 3.194 ( 0.826 9.016 -8.902) 12.697 3.395 ( -1.529 3.702 -1.078) 4.148 3.622 ( 0.019 -0.072 2.120) 2.121 3.866 ( -4.320 6.320 -13.082) 15.157 3.898 ( -4.884 2.733 -6.548) 8.614 4.596 ( -6.189 8.060 9.071) 13.622 4.655 ( -0.762 6.798 3.790) 7.821 5.113 ( -1.368 3.722 -5.422) 6.718 5.150 ( 7.951 8.875 -1.845) 12.058 5.595 ( -4.170 -2.688 11.027) 12.092 6.013 ( -15.997 -9.613 -7.687) 20.184 6.257 ( 10.415 -9.268 9.796) 17.039 6.437 ( 1.436 -2.356 1.077) 2.962 6.545 ( -1.109 2.793 -1.442) 3.333 7.012 ( 9.913 6.966 -19.518) 22.973 7.406 ( 3.653 -0.551 4.636) 5.928 7.489 ( 1.558 -10.193 -2.680) 10.654 7.803 ( 1.253 0.643 4.940) 5.137 8.098 ( -6.037 7.785 -0.807) 9.884 8.391 ( 5.206 -2.219 2.758) 6.295 8.766 ( 5.671 7.821 -6.278) 11.521 9.329 ( 3.671 16.667 10.824) 20.210 9.858 ( 3.272 16.304 -14.530) 22.083 10.344 ( -0.897 -4.763 10.085) 11.189 10.687 ( -2.988 -2.805 -5.649) 6.979 11.092 ( -20.161 -10.986 3.859) 23.282 11.300 ( -12.111 -2.019 -3.036) 12.648 11.884 ( 15.308 -13.085 -1.288) 20.180 11.925 ( 14.060 -11.432 -3.413) 18.440 13.838 ( -6.194 5.468 8.619) 11.939 14.019 ( -10.309 4.646 2.940) 11.684 14.338 ( 4.179 -1.532 -0.240) 4.458 14.528 ( -0.381 -2.943 -6.431) 7.083======================= Grid point 431 (141/180) =======================q-point: ( 0.18 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.461 ( -3.218 11.538 14.561) 18.855 2.626 ( 4.755 5.101 17.447) 18.789 2.891 ( -3.511 0.748 -0.439) 3.617 3.188 ( -1.719 8.753 -4.274) 9.891 3.375 ( -0.693 3.970 -3.846) 5.571 3.531 ( -8.107 3.927 -11.494) 14.604 3.780 ( -6.063 3.310 -2.460) 7.333 3.827 ( -0.481 6.233 -5.010) 8.011 4.484 ( -2.363 -0.765 10.163) 10.462 4.731 ( 4.060 4.024 -1.610) 5.939 4.985 ( -10.512 -9.558 0.294) 14.210 5.181 ( -2.399 1.129 -8.806) 9.197 5.638 ( 4.830 4.607 0.619) 6.703 5.724 ( -12.260 -2.243 -5.317) 13.550 6.322 ( -10.994 -11.476 5.788) 16.913 6.455 ( 5.373 -12.676 4.694) 14.545 6.587 ( 9.139 17.522 9.648) 21.991 7.249 ( 11.031 10.991 -11.714) 19.486 7.448 ( 0.320 -1.002 1.375) 1.731 7.550 ( 6.599 1.381 -5.948) 8.990 7.825 ( 0.444 -0.218 4.405) 4.433 8.078 ( 4.440 1.807 -8.258) 9.548 8.486 ( 4.436 -7.759 10.216) 13.573 8.857 ( 2.699 0.571 -6.298) 6.876 9.421 ( 5.478 15.331 12.822) 20.723 9.944 ( 5.092 11.032 -10.214) 15.873 10.326 ( -1.000 -0.583 6.796) 6.894 10.581 ( -9.130 -3.367 -7.475) 12.271 10.789 ( -7.931 -2.477 5.913) 10.198 11.083 ( -9.904 2.488 -4.783) 11.276 12.053 ( 3.227 -10.644 2.964) 11.510 12.198 ( 10.574 -9.212 -6.112) 15.298 13.700 ( -6.641 1.533 6.745) 9.589 13.836 ( -7.605 6.638 1.095) 10.154 14.377 ( -0.087 -5.481 -0.041) 5.482 14.506 ( -2.026 -2.242 -5.121) 5.946======================= Grid point 432 (142/180) =======================q-point: ( 0.27 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.408 ( -1.715 11.592 14.766) 18.850 2.733 ( 4.879 1.366 11.884) 12.919 2.836 ( -1.242 2.049 4.025) 4.684 3.132 ( -3.434 5.494 -4.543) 7.913 3.321 ( -6.417 4.210 -4.906) 9.109 3.412 ( -1.944 5.973 -17.352) 18.454 3.698 ( -1.772 1.249 0.087) 2.169 3.818 ( -0.673 5.011 -4.845) 7.002 4.448 ( -4.729 -9.688 11.768) 15.959 4.690 ( -5.184 -1.680 4.968) 7.374 4.905 ( 1.807 -7.294 -5.189) 9.132 5.077 ( -7.939 -9.870 -15.505) 20.021 5.541 ( -4.639 6.340 1.637) 8.025 5.715 ( 0.820 7.399 -7.217) 10.369 6.107 ( -9.340 -8.523 7.381) 14.641 6.424 ( -6.247 -9.967 -7.058) 13.718 6.873 ( 16.993 15.313 19.583) 30.112 7.379 ( 3.043 7.442 3.841) 8.910 7.464 ( 3.095 10.813 -0.815) 11.276 7.738 ( 8.065 2.053 -7.583) 11.259 7.869 ( 6.796 -4.082 0.405) 7.938 8.188 ( 5.059 -1.659 -9.143) 10.580 8.554 ( 1.942 -8.908 8.957) 12.781 8.861 ( -1.851 -5.583 -5.538) 8.079 9.523 ( 4.551 10.159 14.073) 17.944 10.033 ( 3.905 5.224 -4.764) 8.077 10.252 ( -8.342 -0.083 10.301) 13.255 10.450 ( 0.006 1.563 -3.810) 4.118 10.778 ( 3.422 5.360 -3.032) 7.045 10.932 ( -3.859 7.662 -6.541) 10.788 11.993 ( -9.470 -4.548 6.956) 12.599 12.281 ( -2.611 -2.856 -8.775) 9.590 13.632 ( 0.493 -3.138 4.933) 5.867 13.756 ( -0.258 3.052 -0.382) 3.086 14.340 ( -3.534 -8.092 -0.412) 8.839 14.445 ( -4.298 -2.276 -4.620) 6.708======================= Grid point 433 (143/180) =======================q-point: ( 0.36 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.406 ( 1.712 9.615 13.494) 16.657 2.711 ( -5.164 2.561 5.767) 8.153 2.913 ( 6.124 -0.063 7.003) 9.303 3.099 ( 1.527 2.589 -7.099) 7.709 3.185 ( -6.598 3.291 -8.573) 11.308 3.410 ( 0.709 3.149 -9.268) 9.815 3.691 ( -0.414 0.360 -1.839) 1.919 3.788 ( -2.856 0.160 -5.801) 6.468 4.318 ( -4.464 -10.705 10.712) 15.788 4.635 ( -3.361 -2.599 8.532) 9.532 4.885 ( -4.873 -11.408 -11.680) 17.038 4.951 ( -3.351 -7.737 -10.469) 13.443 5.522 ( 2.113 6.008 4.373) 7.726 5.689 ( -2.230 3.486 -2.010) 4.600 5.995 ( -2.485 -0.456 -1.849) 3.131 6.259 ( -9.779 -5.512 -11.870) 16.337 7.192 ( 15.157 14.242 19.854) 28.753 7.441 ( 4.488 2.748 7.830) 9.434 7.544 ( 3.866 9.889 3.630) 11.221 7.774 ( -2.126 4.488 5.216) 7.202 8.095 ( 12.726 -6.989 -9.408) 17.300 8.257 ( 2.685 -1.030 -7.123) 7.681 8.542 ( -2.894 -6.504 1.618) 7.301 8.796 ( -5.127 -8.327 -7.926) 12.588 9.600 ( 4.196 4.035 16.596) 17.588 10.056 ( -7.757 1.665 18.457) 20.090 10.137 ( 4.366 3.599 -6.173) 8.374 10.498 ( 1.030 5.222 -5.235) 7.465 10.789 ( 2.329 4.544 1.987) 5.479 11.064 ( 14.410 13.501 -12.223) 23.224 11.716 ( -17.821 1.650 8.773) 19.932 12.109 ( -14.054 4.235 -11.366) 18.564 13.712 ( 6.818 -6.871 3.950) 10.454 13.815 ( 5.416 -1.452 0.017) 5.607 14.249 ( -5.513 -9.394 -1.680) 11.021 14.341 ( -6.294 -3.078 -5.004) 8.609======================= Grid point 434 (144/180) =======================q-point: ( 0.45 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.474 ( 5.046 6.711 10.978) 13.821 2.591 ( -6.633 4.426 8.408) 11.588 2.999 ( 3.330 0.855 -7.406) 8.165 3.073 ( -4.622 4.119 -10.924) 12.556 3.219 ( 9.218 -3.500 3.619) 10.503 3.384 ( -5.459 -2.339 3.452) 6.869 3.667 ( 0.285 -0.635 -10.386) 10.409 3.722 ( -3.751 -1.669 -7.898) 8.901 4.345 ( 6.553 -6.896 10.302) 14.022 4.511 ( -8.830 -4.847 9.528) 13.865 4.830 ( 0.360 -8.915 -11.616) 14.647 4.882 ( -3.915 -6.596 -8.585) 11.512 5.594 ( 4.267 0.282 6.449) 7.738 5.654 ( -1.833 0.163 4.611) 4.965 5.990 ( 1.889 4.358 -11.578) 12.514 6.082 ( -7.576 0.965 -14.252) 16.169 7.442 ( 10.187 11.094 17.131) 22.811 7.544 ( 3.573 -0.195 9.516) 10.166 7.580 ( 0.911 8.895 10.697) 13.942 7.687 ( -6.254 5.705 6.613) 10.742 8.273 ( 5.130 -8.891 -5.440) 11.617 8.326 ( 2.068 -0.520 -4.577) 5.050 8.504 ( 2.704 -4.288 -9.090) 10.408 8.654 ( -9.119 -7.375 -11.072) 16.128 9.715 ( 7.643 2.143 19.367) 20.930 9.882 ( -9.158 1.603 20.076) 22.125 10.270 ( 7.940 4.407 -6.678) 11.272 10.423 ( -7.139 4.432 -6.924) 10.887 10.979 ( 15.401 6.770 7.482) 18.412 11.303 ( -10.585 7.011 6.742) 14.375 11.436 ( 9.836 10.344 -11.505) 18.333 11.781 ( -18.682 8.936 -13.544) 24.745 13.857 ( 7.004 -7.962 4.686) 11.594 13.915 ( 2.713 -4.430 3.921) 6.508 14.155 ( -2.324 -8.550 -5.777) 10.577 14.212 ( -6.378 -4.546 -6.420) 10.127======================= Grid point 440 (145/180) =======================q-point: ( 0.00 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 276Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.631 ( 0.000 4.633 18.711) 19.276 2.675 ( 0.000 0.438 14.298) 14.305 3.100 ( 0.000 6.585 2.386) 7.004 3.216 ( 0.000 -3.717 -4.595) 5.910 3.502 ( 0.000 3.830 1.407) 4.080 3.560 ( 0.000 -2.094 5.075) 5.490 3.977 ( 0.000 2.643 -13.088) 13.352 4.002 ( 0.000 0.730 -18.571) 18.585 4.836 ( 0.000 9.778 10.314) 14.212 4.918 ( 0.000 1.205 6.203) 6.319 5.215 ( 0.000 11.741 -2.639) 12.034 5.278 ( 0.000 5.004 -8.287) 9.681 5.630 ( 0.000 0.639 13.234) 13.250 5.809 ( 0.000 -15.696 11.515) 19.467 6.111 ( 0.000 -3.023 -5.918) 6.645 6.183 ( 0.000 -8.986 -12.734) 15.586 6.803 ( 0.000 17.958 0.333) 17.961 7.082 ( 0.000 8.407 -10.599) 13.528 7.156 ( 0.000 -17.544 -0.980) 17.571 7.245 ( 0.000 -7.691 -1.868) 7.915 7.911 ( 0.000 8.211 13.858) 16.109 8.083 ( 0.000 -8.579 17.971) 19.914 8.539 ( 0.000 11.189 -16.892) 20.261 8.718 ( 0.000 -5.968 -12.882) 14.197 9.708 ( 0.000 23.731 12.521) 26.832 10.127 ( 0.000 -17.374 12.362) 21.324 10.248 ( 0.000 21.782 -14.462) 26.145 10.581 ( 0.000 -11.268 -8.166) 13.917 11.289 ( 0.000 -6.397 5.303) 8.309 11.291 ( 0.000 -6.976 0.958) 7.041 11.457 ( 0.000 2.276 -4.549) 5.087 11.558 ( 0.000 -7.648 -5.992) 9.716 14.024 ( 0.000 5.370 10.016) 11.365 14.115 ( 0.000 -4.037 10.463) 11.215 14.353 ( 0.000 5.549 -7.065) 8.984 14.452 ( 0.000 -4.525 -7.107) 8.425======================= Grid point 441 (146/180) =======================q-point: ( 0.09 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.632 ( -0.132 3.722 15.647) 16.084 2.671 ( 0.063 1.529 15.651) 15.725 3.015 ( -5.906 2.876 0.508) 6.589 3.270 ( 2.770 0.018 -1.292) 3.056 3.458 ( -1.692 2.109 3.852) 4.706 3.628 ( 3.075 0.353 -0.593) 3.152 3.940 ( -3.541 2.654 -12.549) 13.306 3.961 ( -3.712 1.657 -13.478) 14.078 4.754 ( -13.015 7.287 8.198) 17.021 4.800 ( -2.049 5.027 5.143) 7.478 5.079 ( -12.352 -4.349 -4.054) 13.709 5.321 ( -2.770 5.623 -10.781) 12.471 5.598 ( 3.337 1.522 8.713) 9.453 5.874 ( -8.173 -1.493 -4.382) 9.393 6.030 ( 12.530 -10.795 10.099) 19.378 6.279 ( -2.092 -6.293 -3.098) 7.320 6.824 ( 1.938 16.245 0.570) 16.370 7.145 ( 9.895 4.385 -11.032) 15.454 7.206 ( 4.562 -13.524 1.360) 14.337 7.389 ( 11.535 -3.039 -3.444) 12.416 7.850 ( -3.876 2.993 11.161) 12.188 8.156 ( 4.962 -1.925 15.683) 16.562 8.407 ( -9.448 3.892 -13.807) 17.177 8.786 ( 3.537 -2.526 -13.150) 13.850 9.709 ( -0.002 18.767 12.271) 22.423 10.140 ( 0.815 -3.715 7.140) 8.089 10.236 ( -0.471 6.651 -7.768) 10.237 10.589 ( -0.127 -6.770 -10.879) 12.814 10.936 ( -14.895 -3.885 9.500) 18.089 11.300 ( -8.940 1.148 -6.737) 11.253 11.664 ( 15.933 -7.559 0.044) 17.635 11.750 ( 13.959 -5.309 -4.718) 15.662 13.893 ( -9.940 0.911 10.201) 14.272 14.135 ( -2.579 6.028 5.729) 8.707 14.277 ( -3.799 -4.336 -3.746) 6.875 14.493 ( 1.734 -0.688 -6.488) 6.750======================= Grid point 442 (147/180) =======================q-point: ( 0.18 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.614 ( -1.483 3.628 10.741) 11.434 2.696 ( 2.502 2.059 16.780) 17.090 2.914 ( -4.097 1.276 0.188) 4.295 3.278 ( -2.601 1.246 6.209) 6.846 3.455 ( 1.151 2.889 3.436) 4.634 3.599 ( -5.845 2.233 -12.444) 13.929 3.848 ( -5.748 3.690 -8.991) 11.291 3.909 ( -1.554 1.238 -8.467) 8.697 4.500 ( -12.304 1.810 10.588) 16.333 4.777 ( -4.455 -6.388 0.077) 7.788 4.835 ( -6.326 2.942 -2.175) 7.308 5.136 ( -13.486 -4.386 -16.041) 21.411 5.694 ( 3.662 3.322 2.421) 5.505 5.818 ( 1.758 6.505 -3.328) 7.515 6.126 ( -11.353 -7.152 3.803) 13.946 6.228 ( 5.512 -8.780 3.491) 10.939 6.905 ( 7.701 12.817 7.829) 16.878 7.308 ( 7.444 -6.930 8.645) 13.348 7.454 ( 17.427 4.219 -13.413) 22.393 7.594 ( 7.930 3.243 -1.598) 8.716 7.809 ( -0.102 -2.085 5.896) 6.254 8.160 ( -5.438 5.754 -9.637) 12.471 8.329 ( 3.725 -7.160 9.062) 12.135 8.811 ( -0.998 -2.720 -11.138) 11.508 9.698 ( -1.349 9.593 11.075) 14.714 10.127 ( -1.668 7.250 -4.445) 8.666 10.272 ( 3.448 -4.812 7.230) 9.344 10.503 ( -7.757 -2.993 -1.802) 8.508 10.806 ( 1.276 2.097 2.050) 3.198 11.147 ( -6.367 3.027 -8.822) 11.293 11.869 ( 6.205 -6.430 3.753) 9.692 12.048 ( 13.766 -4.799 -7.799) 16.533 13.691 ( -9.761 -0.696 9.714) 13.788 14.002 ( -8.526 7.998 -4.319) 12.463 14.238 ( -1.875 -7.169 4.456) 8.647 14.492 ( -1.814 -0.014 -6.074) 6.339======================= Grid point 443 (148/180) =======================q-point: ( 0.27 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.586 ( -1.285 5.055 9.912) 11.200 2.759 ( 3.548 1.371 13.330) 13.862 2.864 ( -0.861 0.721 1.793) 2.116 3.154 ( -9.446 -0.756 12.925) 16.027 3.473 ( -1.682 6.774 -2.306) 7.351 3.497 ( -2.044 2.539 -16.074) 16.401 3.733 ( -5.074 3.203 -6.068) 8.535 3.845 ( -5.674 -2.732 -11.522) 13.130 4.284 ( -9.481 -5.322 9.210) 14.249 4.661 ( -2.651 -1.161 5.608) 6.311 4.828 ( -2.364 -0.314 -7.096) 7.486 4.894 ( -8.209 -7.056 -13.296) 17.145 5.709 ( -1.786 9.253 2.647) 9.788 5.841 ( -4.821 3.591 -1.215) 6.133 5.949 ( -1.196 -6.714 0.227) 6.824 6.238 ( -3.067 -7.104 -8.030) 11.151 7.116 ( 12.507 7.755 16.787) 22.324 7.458 ( 7.319 1.284 12.088) 14.189 7.688 ( 3.091 9.707 2.125) 10.406 7.755 ( 10.159 0.201 -12.456) 16.075 7.813 ( 1.340 -2.387 4.596) 5.349 8.121 ( 3.062 -4.170 -10.827) 12.000 8.429 ( 4.912 -3.103 4.521) 7.362 8.756 ( -4.262 -3.686 -9.346) 10.913 9.659 ( -2.230 3.311 11.785) 12.443 10.118 ( 1.444 2.952 -6.469) 7.256 10.235 ( -7.479 -0.954 16.750) 18.369 10.481 ( 5.724 1.121 0.524) 5.856 10.852 ( 0.550 2.057 -1.411) 2.554 11.100 ( 3.723 6.652 -12.793) 14.892 11.896 ( -3.968 -3.966 7.957) 9.736 12.221 ( 3.078 -2.281 -10.336) 11.024 13.558 ( -2.929 -2.453 8.229) 9.073 13.868 ( -4.283 5.611 -6.595) 9.660 14.177 ( -4.439 -6.691 5.195) 9.563 14.425 ( -4.997 -0.343 -6.021) 7.832======================= Grid point 444 (149/180) =======================q-point: ( 0.36 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.572 ( 0.076 5.452 10.644) 11.959 2.788 ( -2.076 5.650 9.483) 11.233 2.894 ( 3.568 -1.528 9.252) 10.033 2.985 ( -5.510 -7.438 5.151) 10.593 3.392 ( -5.420 10.292 -7.117) 13.636 3.467 ( -2.353 2.424 -10.264) 10.806 3.689 ( -1.086 -0.424 -5.865) 5.980 3.702 ( -6.954 -7.501 -14.086) 17.408 4.179 ( -0.462 -3.176 7.889) 8.517 4.611 ( -4.871 -0.346 8.219) 9.560 4.711 ( -4.026 -5.060 -15.956) 17.216 4.847 ( -1.665 -2.804 -3.569) 4.835 5.635 ( -4.096 4.225 7.012) 9.154 5.734 ( -3.803 1.032 3.740) 5.433 6.002 ( 3.385 0.538 -9.593) 10.187 6.161 ( -3.955 -3.567 -14.225) 15.190 7.335 ( 9.268 1.893 18.037) 20.367 7.574 ( 4.431 8.133 10.298) 13.850 7.720 ( 0.553 7.213 8.953) 11.511 7.787 ( -0.634 -2.394 4.334) 4.992 7.951 ( 8.122 -6.689 -6.372) 12.301 8.256 ( 9.093 0.572 -10.156) 13.644 8.467 ( -2.059 -1.882 -4.136) 4.989 8.665 ( -4.628 -3.936 -9.471) 11.253 9.648 ( 2.006 1.101 16.012) 16.175 10.072 ( -8.491 0.315 20.290) 21.997 10.191 ( 5.544 1.487 -8.680) 10.406 10.568 ( -0.087 1.774 -4.670) 4.996 10.871 ( 5.464 2.900 5.804) 8.482 11.285 ( 13.478 7.290 -14.840) 21.331 11.719 ( -13.485 -0.847 10.723) 17.249 12.157 ( -9.113 0.951 -12.580) 15.562 13.587 ( 5.227 -3.961 6.494) 9.229 13.854 ( 2.537 3.667 -5.546) 7.116 14.070 ( -6.268 -7.292 3.713) 10.308 14.304 ( -7.290 -0.920 -6.321) 9.693======================= Grid point 445 (150/180) =======================q-point: ( 0.45 0.44 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 496Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.599 ( 2.970 4.730 11.981) 13.219 2.689 ( -6.047 5.042 13.097) 15.282 2.951 ( 2.114 -3.589 3.586) 5.496 2.969 ( 0.889 -7.350 3.622) 8.242 3.320 ( -0.419 7.118 -7.117) 10.074 3.385 ( -5.667 0.597 -4.609) 7.328 3.623 ( 0.359 -3.203 -16.496) 16.808 3.665 ( -2.585 -2.456 -11.432) 11.975 4.261 ( 8.133 -1.981 8.828) 12.166 4.453 ( -10.330 -1.325 9.062) 13.805 4.708 ( 3.111 -3.250 -12.180) 12.984 4.790 ( -4.229 -2.446 -7.135) 8.647 5.610 ( 1.450 0.740 8.246) 8.405 5.666 ( -3.551 0.549 6.719) 7.620 6.057 ( 2.353 2.029 -13.729) 14.076 6.100 ( -2.400 0.596 -15.857) 16.049 7.481 ( 6.500 -1.100 15.122) 16.497 7.591 ( -3.725 1.165 12.150) 12.762 7.735 ( 2.160 6.232 11.843) 13.556 7.773 ( -1.048 2.211 8.317) 8.669 8.132 ( 10.382 -4.356 -7.568) 13.566 8.325 ( -7.867 -0.482 -7.442) 10.840 8.448 ( 6.510 -1.348 -9.930) 11.950 8.572 ( -5.473 -1.414 -9.555) 11.102 9.743 ( 7.234 0.724 19.120) 20.455 9.903 ( -8.803 0.576 20.271) 22.107 10.325 ( 7.779 1.286 -8.857) 11.858 10.477 ( -7.356 1.272 -8.265) 11.138 11.087 ( 14.941 3.334 10.756) 18.709 11.403 ( -16.236 2.782 11.697) 20.203 11.592 ( 15.687 4.593 -15.309) 22.396 11.907 ( -15.521 3.459 -14.496) 21.517 13.726 ( 8.308 -4.002 5.963) 10.981 13.875 ( -5.194 -0.189 5.358) 7.465 14.009 ( 4.317 -5.078 -6.936) 9.619 14.150 ( -8.248 -1.674 -7.005) 10.950======================= Grid point 495 (151/180) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.221 ( 0.000 0.000 -17.552) 17.552 2.221 ( 0.000 0.000 17.552) 17.552 2.526 ( 0.000 0.000 -21.052) 21.052 2.526 ( 0.000 0.000 21.052) 21.052 3.385 ( 0.000 0.000 -0.287) 0.287 3.385 ( 0.000 0.000 0.287) 0.287 3.648 ( 0.000 0.000 -2.433) 2.433 3.648 ( 0.000 0.000 2.433) 2.433 4.686 ( 0.000 0.000 -9.170) 9.170 4.686 ( 0.000 0.000 9.170) 9.170 4.774 ( 0.000 0.000 -0.100) 0.100 4.774 ( 0.000 0.000 0.100) 0.100 5.950 ( 0.000 0.000 -20.300) 20.300 5.950 ( 0.000 0.000 20.300) 20.300 6.558 ( 0.000 0.000 -7.827) 7.827 6.558 ( 0.000 0.000 7.827) 7.827 6.702 ( 0.000 0.000 -4.365) 4.365 6.702 ( 0.000 0.000 4.365) 4.365 7.424 ( 0.000 0.000 -7.344) 7.344 7.424 ( 0.000 0.000 7.344) 7.344 7.735 ( 0.000 0.000 -6.943) 6.943 7.735 ( 0.000 0.000 6.943) 6.943 8.019 ( 0.000 0.000 -1.210) 1.210 8.019 ( 0.000 0.000 1.210) 1.210 9.372 ( 0.000 0.000 -22.048) 22.048 9.372 ( 0.000 0.000 22.048) 22.048 10.602 ( 0.000 0.000 -6.118) 6.118 10.602 ( 0.000 0.000 6.118) 6.118 11.859 ( 0.000 0.000 -2.358) 2.358 11.859 ( 0.000 0.000 2.358) 2.358 12.207 ( 0.000 0.000 -3.864) 3.864 12.207 ( 0.000 0.000 3.864) 3.864 13.744 ( 0.000 0.000 -10.361) 10.361 13.744 ( 0.000 0.000 10.361) 10.361 14.470 ( 0.000 0.000 -8.805) 8.805 14.470 ( 0.000 0.000 8.805) 8.805======================= Grid point 497 (152/180) =======================q-point: ( 0.09 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.285 ( 6.166 0.000 -15.058) 16.272 2.285 ( 6.166 0.000 15.058) 16.272 2.515 ( -0.794 0.000 -19.637) 19.653 2.515 ( -0.794 0.000 19.637) 19.653 3.326 ( -5.581 0.000 -1.326) 5.736 3.326 ( -5.581 0.000 1.326) 5.736 3.617 ( -2.936 0.000 -2.297) 3.728 3.617 ( -2.936 0.000 2.297) 3.728 4.664 ( 2.085 0.000 -7.567) 7.849 4.664 ( 2.085 0.000 7.567) 7.849 4.910 ( 9.010 0.000 -1.067) 9.073 4.910 ( 9.010 0.000 1.067) 9.073 5.910 ( -4.804 0.000 -12.069) 12.990 5.910 ( -4.804 0.000 12.069) 12.990 6.395 ( -7.882 0.000 -4.698) 9.176 6.395 ( -7.882 0.000 4.698) 9.176 6.911 ( 13.520 0.000 -8.334) 15.882 6.911 ( 13.520 0.000 8.334) 15.882 7.300 ( -9.605 0.000 -2.923) 10.040 7.300 ( -9.605 0.000 2.923) 10.040 7.925 ( 15.646 0.000 -0.532) 15.655 7.925 ( 15.646 0.000 0.532) 15.655 8.037 ( 1.991 0.000 -0.981) 2.220 8.037 ( 1.991 0.000 0.981) 2.220 9.396 ( 2.520 0.000 -21.674) 21.820 9.396 ( 2.520 0.000 21.674) 21.820 10.571 ( -3.201 0.000 -6.705) 7.430 10.571 ( -3.201 0.000 6.705) 7.430 11.543 ( -22.646 0.000 -1.064) 22.671 11.543 ( -22.646 0.000 1.064) 22.671 12.418 ( 11.034 0.000 -1.033) 11.082 12.418 ( 11.034 0.000 1.033) 11.082 13.650 ( -7.224 0.000 -11.763) 13.804 13.650 ( -7.224 0.000 11.763) 13.804 14.526 ( 4.420 0.000 -8.353) 9.451 14.526 ( 4.420 0.000 8.353) 9.451======================= Grid point 499 (153/180) =======================q-point: ( 0.18 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.386 ( 1.191 0.000 -8.001) 8.089 2.386 ( 1.191 0.000 8.001) 8.089 2.560 ( 8.035 0.000 -1.751) 8.224 2.560 ( 8.035 0.000 1.751) 8.224 3.192 ( -7.560 0.000 -4.109) 8.605 3.192 ( -7.560 0.000 4.109) 8.605 3.561 ( -2.011 0.000 -2.258) 3.024 3.561 ( -2.011 0.000 2.258) 3.024 4.786 ( 9.839 0.000 -4.878) 10.982 4.786 ( 9.839 0.000 4.878) 10.982 5.056 ( 5.397 0.000 -4.589) 7.084 5.056 ( 5.397 0.000 4.589) 7.084 5.738 ( -12.456 0.000 -3.608) 12.968 5.738 ( -12.456 0.000 3.608) 12.968 6.349 ( 3.225 0.000 -20.810) 21.059 6.349 ( 3.225 0.000 20.810) 21.059 7.081 ( -10.733 0.000 -6.294) 12.443 7.081 ( -10.733 0.000 6.294) 12.443 7.170 ( 10.131 0.000 -4.254) 10.988 7.170 ( 10.131 0.000 4.254) 10.988 8.082 ( 3.920 0.000 -4.260) 5.789 8.082 ( 3.920 0.000 4.260) 5.789 8.291 ( 20.223 0.000 -6.281) 21.176 8.291 ( 20.223 0.000 6.281) 21.176 9.471 ( 5.230 0.000 -20.433) 21.092 9.471 ( 5.230 0.000 20.433) 21.092 10.473 ( -7.234 0.000 -8.309) 11.017 10.473 ( -7.234 0.000 8.309) 11.017 11.105 ( -21.165 0.000 -1.507) 21.218 11.105 ( -21.165 0.000 1.507) 21.218 12.462 ( -8.138 0.000 -0.360) 8.146 12.462 ( -8.138 0.000 0.360) 8.146 13.586 ( 2.852 0.000 -13.282) 13.585 13.586 ( 2.852 0.000 13.282) 13.585 14.597 ( 2.248 0.000 -7.545) 7.873 14.597 ( 2.248 0.000 7.545) 7.873======================= Grid point 501 (154/180) =======================q-point: ( 0.27 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.368 ( -1.272 0.000 -17.661) 17.707 2.368 ( -1.272 0.000 17.661) 17.707 2.740 ( 5.625 0.000 -10.720) 12.106 2.740 ( 5.625 0.000 10.720) 12.106 3.088 ( -0.032 0.000 -7.530) 7.530 3.088 ( -0.032 0.000 7.530) 7.530 3.558 ( 1.651 0.000 -2.211) 2.759 3.558 ( 1.651 0.000 2.211) 2.759 5.015 ( 12.458 0.000 -0.783) 12.482 5.015 ( 12.458 0.000 0.783) 12.482 5.112 ( 0.473 0.000 -6.108) 6.126 5.112 ( 0.473 0.000 6.108) 6.126 5.482 ( -12.077 0.000 -6.953) 13.935 5.482 ( -12.077 0.000 6.953) 13.935 6.484 ( 9.647 0.000 -23.100) 25.033 6.484 ( 9.647 0.000 23.100) 25.033 6.821 ( -14.899 0.000 -6.042) 16.077 6.821 ( -14.899 0.000 6.042) 16.077 7.329 ( 4.413 0.000 -2.164) 4.915 7.329 ( 4.413 0.000 2.164) 4.915 8.199 ( 8.676 0.000 -7.240) 11.300 8.199 ( 8.676 0.000 7.240) 11.300 8.684 ( 19.105 0.000 -9.934) 21.534 8.684 ( 19.105 0.000 9.934) 21.534 9.596 ( 7.411 0.000 -18.042) 19.505 9.596 ( 7.411 0.000 18.042) 19.505 10.282 ( -12.017 0.000 -9.331) 15.214 10.282 ( -12.017 0.000 9.331) 15.214 10.768 ( -12.720 0.000 -2.388) 12.943 10.768 ( -12.720 0.000 2.388) 12.943 12.141 ( -22.619 0.000 -1.818) 22.692 12.141 ( -22.619 0.000 1.818) 22.692 13.742 ( 11.357 0.000 -11.434) 16.116 13.742 ( 11.357 0.000 11.434) 16.116 14.602 ( -1.737 0.000 -6.826) 7.043 14.602 ( -1.737 0.000 6.826) 7.043======================= Grid point 503 (155/180) =======================q-point: ( 0.36 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.366 ( 1.373 0.000 -15.645) 15.705 2.366 ( 1.373 0.000 15.645) 15.705 2.696 ( -7.079 0.000 -0.668) 7.110 2.696 ( -7.079 0.000 0.668) 7.110 3.242 ( 12.408 0.000 -1.963) 12.562 3.242 ( 12.408 0.000 1.963) 12.562 3.605 ( 2.288 0.000 -2.520) 3.404 3.605 ( 2.288 0.000 2.520) 3.404 5.086 ( -2.778 0.000 -6.457) 7.029 5.086 ( -2.778 0.000 6.457) 7.029 5.119 ( -4.971 0.000 -12.823) 13.753 5.119 ( -4.971 0.000 12.823) 13.753 5.442 ( 11.836 0.000 -0.182) 11.837 5.442 ( 11.836 0.000 0.182) 11.837 6.486 ( -16.973 0.000 -5.411) 17.814 6.486 ( -16.973 0.000 5.411) 17.814 6.720 ( 11.649 0.000 -18.003) 21.443 6.720 ( 11.649 0.000 18.003) 21.443 7.327 ( -4.348 0.000 -3.968) 5.887 7.327 ( -4.348 0.000 3.968) 5.887 8.422 ( 13.851 0.000 -7.438) 15.722 8.422 ( 13.851 0.000 7.438) 15.722 8.971 ( 8.374 0.000 -6.926) 10.867 8.971 ( 8.374 0.000 6.926) 10.867 9.738 ( 6.557 0.000 -14.172) 15.615 9.738 ( 6.557 0.000 14.172) 15.615 10.066 ( -8.175 0.000 -6.887) 10.690 10.066 ( -8.175 0.000 6.887) 10.690 10.625 ( -1.446 0.000 -3.106) 3.426 10.625 ( -1.446 0.000 3.106) 3.426 11.652 ( -26.586 0.000 -3.895) 26.870 11.652 ( -26.586 0.000 3.895) 26.870 13.978 ( 12.302 0.000 -9.303) 15.424 13.978 ( 12.302 0.000 9.303) 15.424 14.531 ( -5.471 0.000 -6.502) 8.498 14.531 ( -5.471 0.000 6.502) 8.498======================= Grid point 505 (156/180) =======================q-point: ( 0.45 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.427 ( 4.837 0.000 -11.290) 12.282 2.427 ( 4.837 0.000 11.290) 12.282 2.548 ( -7.356 0.000 -6.063) 9.532 2.548 ( -7.356 0.000 6.063) 9.532 3.472 ( 10.099 0.000 -1.132) 10.162 3.472 ( 10.099 0.000 1.132) 10.162 3.605 ( -3.201 0.000 -2.228) 3.900 3.605 ( -3.201 0.000 2.228) 3.900 5.020 ( -2.614 0.000 -10.668) 10.983 5.020 ( -2.614 0.000 10.668) 10.983 5.027 ( -2.586 0.000 -8.597) 8.977 5.027 ( -2.586 0.000 8.597) 8.977 5.761 ( 18.508 0.000 -3.398) 18.817 5.761 ( 18.508 0.000 3.398) 18.817 6.129 ( -19.084 0.000 -5.959) 19.993 6.129 ( -19.084 0.000 5.959) 19.993 6.961 ( 12.412 0.000 -14.560) 19.133 6.961 ( 12.412 0.000 14.560) 19.133 7.183 ( -9.932 0.000 -9.648) 13.846 7.183 ( -9.932 0.000 9.648) 13.846 8.709 ( 14.965 0.000 -6.236) 16.212 8.709 ( 14.965 0.000 6.236) 16.212 8.958 ( -8.830 0.000 -1.885) 9.029 8.958 ( -8.830 0.000 1.885) 9.029 9.853 ( 6.050 0.000 -8.766) 10.651 9.853 ( 6.050 0.000 8.766) 10.651 9.963 ( -4.660 0.000 -5.752) 7.403 9.963 ( -4.660 0.000 5.752) 7.403 10.751 ( 14.644 0.000 -0.458) 14.651 10.751 ( 14.644 0.000 0.458) 14.651 11.147 ( -24.499 0.000 -3.921) 24.811 11.147 ( -24.499 0.000 3.921) 24.811 14.205 ( 10.875 0.000 -7.736) 13.346 14.205 ( 10.875 0.000 7.736) 13.346 14.394 ( -8.527 0.000 -6.787) 10.898 14.394 ( -8.527 0.000 6.787) 10.898======================= Grid point 517 (157/180) =======================q-point: ( 0.00 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.345 ( 0.000 11.763 -17.371) 20.979 2.345 ( 0.000 11.763 17.371) 20.979 2.581 ( 0.000 5.296 -19.684) 20.384 2.581 ( 0.000 5.296 19.684) 20.384 3.412 ( 0.000 2.703 -7.689) 8.150 3.412 ( 0.000 2.703 7.689) 8.150 3.694 ( 0.000 3.961 -3.444) 5.249 3.694 ( 0.000 3.961 3.444) 5.249 4.715 ( 0.000 3.020 -8.564) 9.081 4.715 ( 0.000 3.020 8.564) 9.081 4.741 ( 0.000 -2.401 -4.685) 5.264 4.741 ( 0.000 -2.401 4.685) 5.264 5.991 ( 0.000 3.994 -19.897) 20.294 5.991 ( 0.000 3.994 19.897) 20.294 6.530 ( 0.000 -2.558 -7.325) 7.758 6.530 ( 0.000 -2.558 7.325) 7.758 6.640 ( 0.000 -6.163 -3.974) 7.333 6.640 ( 0.000 -6.163 3.974) 7.333 7.469 ( 0.000 4.081 -8.566) 9.489 7.469 ( 0.000 4.081 8.566) 9.489 7.904 ( 0.000 16.147 -7.980) 18.011 7.904 ( 0.000 16.147 7.980) 18.011 7.978 ( 0.000 -3.809 -1.398) 4.058 7.978 ( 0.000 -3.809 1.398) 4.058 9.352 ( 0.000 -1.648 -21.103) 21.167 9.352 ( 0.000 -1.648 21.103) 21.167 10.607 ( 0.000 0.393 -6.919) 6.930 10.607 ( 0.000 0.393 6.919) 6.930 11.809 ( 0.000 -5.061 -2.503) 5.646 11.809 ( 0.000 -5.061 2.503) 5.646 12.106 ( 0.000 -9.613 -4.218) 10.497 12.106 ( 0.000 -9.613 4.218) 10.497 13.804 ( 0.000 5.639 -9.975) 11.459 13.804 ( 0.000 5.639 9.975) 11.459 14.459 ( 0.000 -1.154 -8.850) 8.925 14.459 ( 0.000 -1.154 8.850) 8.925======================= Grid point 519 (158/180) =======================q-point: ( 0.09 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.388 ( 3.913 9.744 -16.275) 19.369 2.388 ( 3.913 9.744 16.275) 19.369 2.575 ( -0.095 5.904 -18.707) 19.617 2.575 ( -0.095 5.904 18.707) 19.617 3.353 ( -5.610 2.656 -6.840) 9.236 3.353 ( -5.610 2.656 6.840) 9.236 3.661 ( -3.064 4.000 -3.157) 5.946 3.661 ( -3.064 4.000 3.157) 5.946 4.653 ( 0.843 -1.175 -4.734) 4.950 4.653 ( 0.843 -1.175 4.734) 4.950 4.912 ( 9.592 0.939 -1.771) 9.799 4.912 ( 9.592 0.939 1.771) 9.799 5.943 ( -6.284 2.427 -11.078) 12.965 5.943 ( -6.284 2.427 11.078) 12.965 6.381 ( -5.235 -0.520 -9.308) 10.692 6.381 ( -5.235 -0.520 9.308) 10.692 6.837 ( 11.006 -6.939 -7.007) 14.778 6.837 ( 11.006 -6.939 7.007) 14.778 7.363 ( -8.012 5.427 -3.980) 10.463 7.363 ( -8.012 5.427 3.980) 10.463 7.946 ( 2.806 -1.187 -1.745) 3.511 7.946 ( 2.806 -1.187 1.745) 3.511 8.130 ( 14.279 12.161 -5.372) 19.510 8.130 ( 14.279 12.161 5.372) 19.510 9.377 ( 2.545 -1.582 -20.665) 20.881 9.377 ( 2.545 -1.582 20.665) 20.881 10.575 ( -3.350 0.255 -7.253) 7.994 10.575 ( -3.350 0.255 7.253) 7.994 11.488 ( -22.153 -5.371 -1.040) 22.819 11.488 ( -22.153 -5.371 1.040) 22.819 12.335 ( 12.140 -7.983 -0.905) 14.558 12.335 ( 12.140 -7.983 0.905) 14.558 13.712 ( -7.415 5.753 -10.433) 14.033 13.712 ( -7.415 5.753 10.433) 14.033 14.508 ( 3.873 -1.744 -7.966) 9.027 14.508 ( 3.873 -1.744 7.966) 9.027======================= Grid point 521 (159/180) =======================q-point: ( 0.18 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.439 ( -0.026 5.340 -16.492) 17.335 2.439 ( -0.026 5.340 16.492) 17.335 2.632 ( 6.935 6.759 -12.175) 15.557 2.632 ( 6.935 6.759 12.175) 15.557 3.217 ( -7.603 2.487 -6.109) 10.065 3.217 ( -7.603 2.487 6.109) 10.065 3.602 ( -2.131 3.928 -2.498) 5.120 3.602 ( -2.131 3.928 2.498) 5.120 4.750 ( 8.335 -3.396 -3.213) 9.557 4.750 ( 8.335 -3.396 3.213) 9.557 5.063 ( 5.415 0.850 -4.024) 6.800 5.063 ( 5.415 0.850 4.024) 6.800 5.733 ( -13.825 -1.157 -6.989) 15.534 5.733 ( -13.825 -1.157 6.989) 15.534 6.401 ( 6.188 5.605 -21.490) 23.054 6.401 ( 6.188 5.605 21.490) 23.054 6.928 ( -4.792 -9.550 -4.706) 11.675 6.928 ( -4.792 -9.550 4.706) 11.675 7.293 ( 3.906 6.476 -6.615) 10.047 7.293 ( 3.906 6.476 6.615) 10.047 8.010 ( 3.948 -4.004 -3.911) 6.850 8.010 ( 3.948 -4.004 3.911) 6.850 8.458 ( 18.233 12.949 -7.347) 23.539 8.458 ( 18.233 12.949 7.347) 23.539 9.453 ( 5.364 -1.257 -19.223) 19.997 9.453 ( 5.364 -1.257 19.223) 19.997 10.472 ( -7.391 -0.079 -8.046) 10.926 10.472 ( -7.391 -0.079 8.046) 10.926 11.070 ( -19.735 -3.316 -1.832) 20.095 11.070 ( -19.735 -3.316 1.832) 20.095 12.422 ( -4.899 -4.163 -2.032) 6.743 12.422 ( -4.899 -4.163 2.032) 6.743 13.623 ( 0.466 3.517 -11.406) 11.945 13.623 ( 0.466 3.517 11.406) 11.945 14.568 ( 1.718 -2.808 -6.814) 7.567 14.568 ( 1.718 -2.808 6.814) 7.567======================= Grid point 523 (160/180) =======================q-point: ( 0.27 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.416 ( -1.236 4.756 -18.313) 18.961 2.416 ( -1.236 4.756 18.313) 18.961 2.775 ( 4.293 3.658 -9.263) 10.845 2.775 ( 4.293 3.658 9.263) 10.845 3.110 ( -0.664 2.070 -6.325) 6.688 3.110 ( -0.664 2.070 6.325) 6.688 3.597 ( 1.484 3.684 -1.799) 4.360 3.597 ( 1.484 3.684 1.799) 4.360 4.936 ( 9.306 -6.563 -0.562) 11.401 4.936 ( 9.306 -6.563 0.562) 11.401 5.116 ( 0.029 -0.763 -2.716) 2.821 5.116 ( 0.029 -0.763 2.716) 2.821 5.474 ( -10.745 -0.645 -5.614) 12.140 5.474 ( -10.745 -0.645 5.614) 12.140 6.557 ( 6.007 3.803 -16.110) 17.609 6.557 ( 6.007 3.803 16.110) 17.609 6.738 ( -9.178 -2.835 -2.544) 9.937 6.738 ( -9.178 -2.835 2.544) 9.937 7.420 ( 5.636 6.390 -6.942) 10.991 7.420 ( 5.636 6.390 6.942) 10.991 8.114 ( 7.409 -5.889 -6.569) 11.521 8.114 ( 7.409 -5.889 6.569) 11.521 8.794 ( 15.009 7.694 -7.502) 18.460 8.794 ( 15.009 7.694 7.502) 18.460 9.583 ( 7.877 -0.208 -16.865) 18.615 9.583 ( 7.877 -0.208 16.865) 18.615 10.291 ( -10.439 0.954 -7.460) 12.866 10.291 ( -10.439 0.954 7.460) 12.866 10.762 ( -11.369 -0.433 -2.962) 11.756 10.762 ( -11.369 -0.433 2.962) 11.756 12.159 ( -20.302 1.402 -4.263) 20.792 12.159 ( -20.302 1.402 4.263) 20.792 13.735 ( 9.711 -0.602 -10.134) 14.049 13.735 ( 9.711 -0.602 10.134) 14.049 14.565 ( -2.056 -3.630 -5.993) 7.302 14.565 ( -2.056 -3.630 5.993) 7.302======================= Grid point 525 (161/180) =======================q-point: ( 0.36 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.414 ( 1.289 4.674 -15.968) 16.688 2.414 ( 1.289 4.674 15.968) 16.688 2.727 ( -6.761 3.209 -1.257) 7.589 2.727 ( -6.761 3.209 1.257) 7.589 3.243 ( 11.491 0.022 -1.860) 11.641 3.243 ( 11.491 0.022 1.860) 11.641 3.638 ( 1.698 2.967 -1.554) 3.755 3.638 ( 1.698 2.967 1.554) 3.755 5.023 ( -1.695 -7.750 -7.081) 10.634 5.023 ( -1.695 -7.750 7.081) 10.634 5.055 ( -5.113 -4.803 -0.439) 7.029 5.055 ( -5.113 -4.803 0.439) 7.029 5.443 ( 8.709 0.778 -2.418) 9.072 5.443 ( 8.709 0.778 2.418) 9.072 6.371 ( -16.548 -9.327 -7.420) 20.394 6.371 ( -16.548 -9.327 7.420) 20.394 6.854 ( 12.583 12.506 -16.470) 24.207 6.854 ( 12.583 12.506 16.470) 24.207 7.448 ( -3.003 9.875 -3.291) 10.833 7.448 ( -3.003 9.875 3.291) 10.833 8.316 ( 13.167 -8.679 -7.085) 17.288 8.316 ( 13.167 -8.679 7.085) 17.288 8.974 ( 2.025 -2.071 -2.710) 3.966 8.974 ( 2.025 -2.071 2.710) 3.966 9.744 ( 8.202 2.045 -14.721) 16.976 9.744 ( 8.202 2.045 14.721) 16.976 10.127 ( -5.481 5.350 -5.385) 9.363 10.127 ( -5.481 5.350 5.385) 9.363 10.643 ( -0.043 1.919 -2.345) 3.030 10.643 ( -0.043 1.919 2.345) 3.030 11.702 ( -25.468 4.700 -6.030) 26.590 11.702 ( -25.468 4.700 6.030) 26.590 13.950 ( 11.587 -2.807 -8.249) 14.498 13.950 ( 11.587 -2.807 8.249) 14.498 14.490 ( -5.579 -4.054 -5.640) 8.909 14.490 ( -5.579 -4.054 5.640) 8.909======================= Grid point 527 (162/180) =======================q-point: ( 0.45 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( 4.598 4.352 -11.860) 13.444 2.471 ( 4.598 4.352 11.860) 13.444 2.586 ( -7.012 3.806 -7.030) 10.633 2.586 ( -7.012 3.806 7.030) 10.633 3.469 ( 10.605 -0.408 -1.109) 10.670 3.469 ( 10.605 -0.408 1.109) 10.670 3.620 ( -4.318 1.233 -0.930) 4.586 3.620 ( -4.318 1.233 0.930) 4.586 4.955 ( -1.500 -6.590 -12.105) 13.864 4.955 ( -1.500 -6.590 12.105) 13.864 4.981 ( -3.299 -4.787 -8.492) 10.291 4.981 ( -3.299 -4.787 8.492) 10.291 5.705 ( 16.122 -3.947 -3.598) 16.984 5.705 ( 16.122 -3.947 3.598) 16.984 6.035 ( -17.544 -7.388 -6.573) 20.139 6.035 ( -17.544 -7.388 6.573) 20.139 7.103 ( 12.520 12.780 -12.606) 21.886 7.103 ( 12.520 12.780 12.606) 21.886 7.321 ( -9.451 12.020 -7.900) 17.211 7.321 ( -9.451 12.020 7.900) 17.211 8.599 ( 15.199 -9.736 -7.270) 19.459 8.599 ( 15.199 -9.736 7.270) 19.459 8.869 ( -11.360 -8.667 -5.248) 15.222 8.869 ( -11.360 -8.667 5.248) 15.222 9.899 ( 7.783 4.332 -10.996) 14.151 9.899 ( 7.783 4.332 10.996) 14.151 10.034 ( -5.692 5.805 -7.860) 11.308 10.034 ( -5.692 5.805 7.860) 11.308 10.801 ( 16.098 5.209 -3.596) 17.298 10.801 ( 16.098 5.209 3.596) 17.298 11.209 ( -24.366 6.105 -6.307) 25.899 11.209 ( -24.366 6.105 6.307) 25.899 14.167 ( 10.564 -3.754 -6.789) 13.107 14.167 ( 10.564 -3.754 6.789) 13.107 14.353 ( -8.443 -4.102 -5.896) 11.085 14.353 ( -8.443 -4.102 5.896) 11.085======================= Grid point 539 (163/180) =======================q-point: ( 0.00 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.623 ( 0.000 15.061 -17.681) 23.226 2.623 ( 0.000 15.061 17.681) 23.226 2.713 ( 0.000 7.556 -16.280) 17.948 2.713 ( 0.000 7.556 16.280) 17.948 3.486 ( 0.000 4.767 -13.355) 14.181 3.486 ( 0.000 4.767 13.355) 14.181 3.763 ( 0.000 2.200 -6.027) 6.416 3.763 ( 0.000 2.200 6.027) 6.416 4.733 ( 0.000 2.794 -8.830) 9.261 4.733 ( 0.000 2.794 8.830) 9.261 4.805 ( 0.000 6.147 -7.427) 9.641 4.805 ( 0.000 6.147 7.427) 9.641 6.071 ( 0.000 2.317 -20.117) 20.250 6.071 ( 0.000 2.317 20.117) 20.250 6.471 ( 0.000 -10.815 -3.176) 11.272 6.471 ( 0.000 -10.815 3.176) 11.272 6.495 ( 0.000 0.801 -9.651) 9.684 6.495 ( 0.000 0.801 9.651) 9.684 7.538 ( 0.000 0.781 -8.709) 8.744 7.538 ( 0.000 0.781 8.709) 8.744 7.910 ( 0.000 -1.117 -6.603) 6.697 7.910 ( 0.000 -1.117 6.603) 6.697 8.282 ( 0.000 19.297 -9.097) 21.334 8.282 ( 0.000 19.297 9.097) 21.334 9.340 ( 0.000 2.042 -17.877) 17.994 9.340 ( 0.000 2.042 17.877) 17.994 10.610 ( 0.000 -0.338 -8.516) 8.523 10.610 ( 0.000 -0.338 8.516) 8.523 11.667 ( 0.000 -9.200 -2.322) 9.488 11.667 ( 0.000 -9.200 2.322) 9.488 11.871 ( 0.000 -13.384 -5.382) 14.426 11.871 ( 0.000 -13.384 5.382) 14.426 13.938 ( 0.000 7.446 -9.216) 11.848 13.938 ( 0.000 7.446 9.216) 11.848 14.426 ( 0.000 -2.212 -8.911) 9.181 14.426 ( 0.000 -2.212 8.911) 9.181======================= Grid point 541 (164/180) =======================q-point: ( 0.09 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.613 ( -1.197 11.444 -16.895) 20.441 2.613 ( -1.197 11.444 16.895) 20.441 2.732 ( 2.201 9.902 -16.170) 19.088 2.732 ( 2.201 9.902 16.170) 19.088 3.425 ( -5.868 4.582 -11.310) 13.540 3.425 ( -5.868 4.582 11.310) 13.540 3.743 ( -2.191 3.568 -4.706) 6.299 3.743 ( -2.191 3.568 4.706) 6.299 4.639 ( -2.063 0.809 -0.974) 2.420 4.639 ( -2.063 0.809 0.974) 2.420 4.968 ( 8.833 4.671 -2.696) 10.349 4.968 ( 8.833 4.671 2.696) 10.349 5.944 ( -12.029 -3.516 -13.215) 18.212 5.944 ( -12.029 -3.516 13.215) 18.212 6.433 ( 3.477 6.860 -16.820) 18.495 6.433 ( 3.477 6.860 16.820) 18.495 6.661 ( 8.182 -10.572 -5.064) 14.296 6.661 ( 8.182 -10.572 5.064) 14.296 7.471 ( -5.824 4.318 -6.075) 9.459 7.471 ( -5.824 4.318 6.075) 9.459 7.898 ( 0.908 -1.992 -3.865) 4.442 7.898 ( 0.908 -1.992 3.865) 4.442 8.434 ( 12.633 15.246 -6.282) 20.772 8.434 ( 12.633 15.246 6.282) 20.772 9.371 ( 3.322 2.872 -17.301) 17.849 9.371 ( 3.322 2.872 17.301) 17.849 10.575 ( -3.676 -0.507 -8.342) 9.130 10.575 ( -3.676 -0.507 8.342) 9.130 11.351 ( -19.943 -8.036 -2.545) 21.651 11.351 ( -19.943 -8.036 2.545) 21.651 12.132 ( 14.085 -12.171 -0.843) 18.634 12.132 ( 14.085 -12.171 0.843) 18.634 13.846 ( -7.833 7.367 -7.610) 13.174 13.846 ( -7.833 7.367 7.610) 13.174 14.462 ( 2.678 -2.839 -6.879) 7.909 14.462 ( 2.678 -2.839 6.879) 7.909======================= Grid point 543 (165/180) =======================q-point: ( 0.18 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.579 ( -2.124 8.130 -17.518) 19.429 2.579 ( -2.124 8.130 17.518) 19.429 2.801 ( 4.702 10.015 -14.050) 17.883 2.801 ( 4.702 10.015 14.050) 17.883 3.282 ( -8.151 4.086 -7.677) 11.919 3.282 ( -8.151 4.086 7.677) 11.919 3.693 ( -2.137 4.655 -2.113) 5.541 3.693 ( -2.137 4.655 2.113) 5.541 4.681 ( 5.500 -2.829 -3.554) 7.133 4.681 ( 5.500 -2.829 3.554) 7.133 5.082 ( 2.188 0.279 -2.780) 3.549 5.082 ( 2.188 0.279 2.780) 3.549 5.680 ( -13.422 -3.592 -7.354) 15.721 5.680 ( -13.422 -3.592 7.354) 15.721 6.545 ( 4.334 5.195 -11.710) 13.524 6.545 ( 4.334 5.195 11.710) 13.524 6.762 ( 3.418 -4.104 -6.721) 8.584 6.762 ( 3.418 -4.104 6.721) 8.584 7.402 ( 0.898 5.119 -3.646) 6.349 7.402 ( 0.898 5.119 3.646) 6.349 7.954 ( 4.070 -2.116 -5.487) 7.152 7.954 ( 4.070 -2.116 5.487) 7.152 8.687 ( 12.015 7.596 -5.271) 15.161 8.687 ( 12.015 7.596 5.271) 15.161 9.473 ( 7.307 5.371 -16.182) 18.550 9.473 ( 7.307 5.371 16.182) 18.550 10.468 ( -7.180 -0.432 -7.276) 10.232 10.468 ( -7.180 -0.432 7.276) 10.232 10.996 ( -15.743 -3.680 -5.006) 16.925 10.996 ( -15.743 -3.680 5.006) 16.925 12.299 ( 1.688 -8.273 -2.895) 8.926 12.299 ( 1.688 -8.273 2.895) 8.926 13.711 ( -4.217 5.087 -6.685) 9.400 13.711 ( -4.217 5.087 6.685) 9.400 14.496 ( 0.425 -4.225 -4.719) 6.348 14.496 ( 0.425 -4.225 4.719) 6.348======================= Grid point 545 (166/180) =======================q-point: ( 0.27 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.541 ( -1.411 7.455 -17.682) 19.241 2.541 ( -1.411 7.455 17.682) 19.241 2.884 ( 1.833 7.521 -6.629) 10.192 2.884 ( 1.833 7.521 6.629) 10.192 3.155 ( -2.604 2.243 -3.581) 4.964 3.155 ( -2.604 2.243 3.581) 4.964 3.681 ( 0.787 4.175 -1.155) 4.402 3.681 ( 0.787 4.175 1.155) 4.402 4.806 ( 5.886 -5.997 -2.704) 8.827 4.806 ( 5.886 -5.997 2.704) 8.827 5.035 ( -6.588 -8.104 -4.941) 11.553 5.035 ( -6.588 -8.104 4.941) 11.553 5.488 ( -5.033 3.021 -3.051) 6.616 5.488 ( -5.033 3.021 3.051) 6.616 6.460 ( -11.351 -9.199 -7.261) 16.315 6.460 ( -11.351 -9.199 7.261) 16.315 6.914 ( 11.493 15.810 -15.759) 25.108 6.914 ( 11.493 15.810 15.759) 25.108 7.505 ( 7.871 2.112 -10.279) 13.118 7.505 ( 7.871 2.112 10.279) 13.118 8.037 ( 4.620 -1.789 -7.726) 9.178 8.037 ( 4.620 -1.789 7.726) 9.178 8.858 ( 4.739 -2.595 -4.807) 7.232 8.858 ( 4.739 -2.595 4.807) 7.232 9.647 ( 9.918 7.270 -16.320) 20.434 9.647 ( 9.918 7.270 16.320) 20.434 10.326 ( -6.109 2.829 -4.335) 8.007 10.326 ( -6.109 2.829 4.335) 8.007 10.761 ( -8.140 0.657 -5.098) 9.628 10.761 ( -8.140 0.657 5.098) 9.628 12.173 ( -13.949 -0.459 -6.357) 15.336 12.173 ( -13.949 -0.459 6.357) 15.336 13.723 ( 5.167 -0.576 -6.175) 8.072 13.723 ( 5.167 -0.576 6.175) 8.072 14.472 ( -2.940 -5.504 -3.561) 7.185 14.472 ( -2.940 -5.504 3.561) 7.185======================= Grid point 547 (167/180) =======================q-point: ( 0.36 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.535 ( 1.004 7.253 -16.001) 17.597 2.535 ( 1.004 7.253 16.001) 17.597 2.820 ( -6.599 6.287 -4.699) 10.255 2.820 ( -6.599 6.287 4.699) 10.255 3.239 ( 9.313 -0.623 -5.500) 10.834 3.239 ( 9.313 -0.623 5.500) 10.834 3.698 ( -0.140 2.482 -1.408) 2.857 3.698 ( -0.140 2.482 1.408) 2.857 4.828 ( -4.504 -11.650 -14.223) 18.929 4.828 ( -4.504 -11.650 14.223) 18.929 4.920 ( -2.929 -8.001 -7.503) 11.353 4.920 ( -2.929 -8.001 7.503) 11.353 5.495 ( 5.350 4.587 -4.390) 8.303 5.495 ( 5.350 4.587 4.390) 8.303 6.197 ( -14.619 -7.784 -8.528) 18.629 6.197 ( -14.619 -7.784 8.528) 18.629 7.153 ( 12.548 16.833 -12.681) 24.527 7.153 ( 12.548 16.833 12.681) 24.527 7.620 ( 2.049 6.107 -6.145) 8.902 7.620 ( 2.049 6.107 6.145) 8.902 8.163 ( 9.244 -5.585 -4.656) 11.761 8.163 ( 9.244 -5.585 4.656) 11.761 8.848 ( -5.821 -10.012 -5.928) 13.010 8.848 ( -5.821 -10.012 5.928) 13.010 9.829 ( 8.553 5.428 -15.399) 18.432 9.829 ( 8.553 5.428 15.399) 18.432 10.249 ( -3.308 6.511 -7.020) 10.129 10.249 ( -3.308 6.511 7.020) 10.129 10.712 ( 4.695 5.615 -2.100) 7.614 10.712 ( 4.695 5.615 2.100) 7.614 11.811 ( -21.959 5.733 -8.647) 24.287 11.811 ( -21.959 5.733 8.647) 24.287 13.875 ( 9.529 -4.615 -5.053) 11.732 13.875 ( 9.529 -4.615 5.053) 11.732 14.384 ( -5.984 -6.344 -3.108) 9.258 14.384 ( -5.984 -6.344 3.108) 9.258======================= Grid point 549 (168/180) =======================q-point: ( 0.45 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.584 ( 4.052 6.828 -12.928) 15.172 2.584 ( 4.052 6.828 12.928) 15.172 2.688 ( -6.394 6.330 -9.240) 12.897 2.688 ( -6.394 6.330 9.240) 12.897 3.448 ( 11.176 -2.009 -4.749) 12.308 3.448 ( 11.176 -2.009 4.749) 12.308 3.633 ( -6.950 -0.462 -2.740) 7.485 3.633 ( -6.950 -0.462 2.740) 7.485 4.777 ( 0.949 -10.751 -13.606) 17.367 4.777 ( 0.949 -10.751 13.606) 17.367 4.846 ( -4.816 -8.193 -10.124) 13.886 4.846 ( -4.816 -8.193 10.124) 13.886 5.666 ( 11.464 0.549 -2.971) 11.856 5.666 ( 11.464 0.549 2.971) 11.856 5.916 ( -13.927 -3.984 -5.932) 15.654 5.916 ( -13.927 -3.984 5.932) 15.654 7.387 ( 11.160 14.671 -8.454) 20.280 7.387 ( 11.160 14.671 8.454) 20.280 7.567 ( -6.789 11.509 -2.907) 13.675 7.567 ( -6.789 11.509 2.907) 13.675 8.394 ( 13.716 -9.812 -5.932) 17.877 8.394 ( 13.716 -9.812 5.932) 17.877 8.659 ( -12.638 -11.594 -7.491) 18.716 8.659 ( -12.638 -11.594 7.491) 18.716 9.990 ( 8.298 4.283 -13.608) 16.504 9.990 ( 8.298 4.283 13.608) 16.504 10.145 ( -7.224 4.906 -11.759) 14.646 10.145 ( -7.224 4.906 11.759) 14.646 10.952 ( 18.400 9.859 -7.904) 22.321 10.952 ( 18.400 9.859 7.904) 22.321 11.365 ( -23.058 9.155 -9.501) 26.566 11.365 ( -23.058 9.155 9.501) 26.566 14.066 ( 9.793 -6.257 -3.966) 12.279 14.066 ( 9.793 -6.257 3.966) 12.279 14.244 ( -8.350 -6.652 -3.268) 11.165 14.244 ( -8.350 -6.652 3.268) 11.165======================= Grid point 561 (169/180) =======================q-point: ( 0.00 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.856 ( 0.000 6.643 -13.191) 14.770 2.856 ( 0.000 6.643 13.191) 14.770 2.876 ( 0.000 9.702 -18.355) 20.761 2.876 ( 0.000 9.702 18.355) 20.761 3.587 ( 0.000 5.150 -15.515) 16.347 3.587 ( 0.000 5.150 15.515) 16.347 3.770 ( 0.000 -1.139 -8.747) 8.821 3.770 ( 0.000 -1.139 8.747) 8.821 4.864 ( 0.000 9.917 -10.866) 14.711 4.864 ( 0.000 9.917 10.866) 14.711 4.949 ( 0.000 8.212 -8.009) 11.471 4.949 ( 0.000 8.212 8.009) 11.471 6.026 ( 0.000 -6.047 -19.613) 20.524 6.026 ( 0.000 -6.047 19.613) 20.524 6.230 ( 0.000 -13.371 -3.233) 13.756 6.230 ( 0.000 -13.371 3.233) 13.756 6.621 ( 0.000 11.509 -12.262) 16.817 6.621 ( 0.000 11.509 12.262) 16.817 7.437 ( 0.000 -10.322 -2.682) 10.664 7.437 ( 0.000 -10.322 2.682) 10.664 7.996 ( 0.000 9.073 -13.632) 16.375 7.996 ( 0.000 9.073 13.632) 16.375 8.515 ( 0.000 2.456 -13.215) 13.441 8.515 ( 0.000 2.456 13.215) 13.441 9.526 ( 0.000 18.089 -14.280) 23.047 9.526 ( 0.000 18.089 14.280) 23.047 10.569 ( 0.000 -4.969 -10.065) 11.225 10.569 ( 0.000 -4.969 10.065) 11.225 11.476 ( 0.000 -9.209 -0.140) 9.210 11.476 ( 0.000 -9.209 0.140) 9.210 11.616 ( 0.000 -11.991 -6.967) 13.868 11.616 ( 0.000 -11.991 6.967) 13.868 14.080 ( 0.000 6.876 -8.630) 11.034 14.080 ( 0.000 6.876 8.630) 11.034 14.373 ( 0.000 -3.221 -8.850) 9.418 14.373 ( 0.000 -3.221 8.850) 9.418======================= Grid point 563 (170/180) =======================q-point: ( 0.09 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( -3.799 6.947 -11.694) 14.123 2.792 ( -3.799 6.947 11.694) 14.123 2.929 ( 2.926 8.580 -16.059) 18.441 2.929 ( 2.926 8.580 16.059) 18.441 3.528 ( -5.344 5.876 -11.798) 14.223 3.528 ( -5.344 5.876 11.798) 14.223 3.782 ( 0.152 0.353 -4.854) 4.869 3.782 ( 0.152 0.353 4.854) 4.869 4.713 ( -6.923 6.747 -1.418) 9.770 4.713 ( -6.923 6.747 1.418) 9.770 5.071 ( 3.913 4.691 -3.009) 6.809 5.071 ( 3.913 4.691 3.009) 6.809 5.829 ( -12.135 -6.527 -11.305) 17.823 5.829 ( -12.135 -6.527 11.305) 17.823 6.410 ( 8.583 -12.191 -4.674) 15.625 6.410 ( 8.583 -12.191 4.674) 15.625 6.663 ( 6.290 13.105 -14.373) 20.442 6.663 ( 6.290 13.105 14.373) 20.442 7.463 ( 2.120 -5.789 -1.301) 6.300 7.463 ( 2.120 -5.789 1.301) 6.300 7.938 ( -3.776 6.608 -9.266) 11.991 7.938 ( -3.776 6.608 9.266) 11.991 8.591 ( 6.148 -0.265 -11.555) 13.092 8.591 ( 6.148 -0.265 11.555) 13.092 9.571 ( 4.529 17.677 -14.151) 23.092 9.571 ( 4.529 17.677 14.151) 23.092 10.534 ( -3.461 -4.500 -9.288) 10.886 10.534 ( -3.461 -4.500 9.288) 10.886 11.205 ( -15.503 -6.023 -6.328) 17.795 11.205 ( -15.503 -6.023 6.328) 17.795 11.883 ( 15.032 -12.482 -1.204) 19.576 11.883 ( 15.032 -12.482 1.204) 19.576 13.981 ( -8.598 6.069 -5.726) 11.981 13.981 ( -8.598 6.069 5.726) 11.981 14.403 ( 1.894 -2.989 -5.909) 6.888 14.403 ( 1.894 -2.989 5.909) 6.888======================= Grid point 565 (171/180) =======================q-point: ( 0.18 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.724 ( -3.023 6.207 -11.574) 13.477 2.724 ( -3.023 6.207 11.574) 13.477 2.986 ( 3.117 7.512 -15.733) 17.710 2.986 ( 3.117 7.512 15.733) 17.710 3.392 ( -8.579 7.845 -6.059) 13.109 3.392 ( -8.579 7.845 6.059) 13.109 3.758 ( -2.019 1.458 -1.089) 2.718 3.758 ( -2.019 1.458 1.089) 2.718 4.661 ( 1.240 1.005 -6.674) 6.863 4.661 ( 1.240 1.005 6.674) 6.863 5.030 ( -7.846 -6.203 -5.272) 11.306 5.030 ( -7.846 -6.203 5.272) 11.306 5.653 ( -5.386 2.220 -1.916) 6.133 5.653 ( -5.386 2.220 1.916) 6.133 6.425 ( -5.286 -11.857 -4.475) 13.732 6.425 ( -5.286 -11.857 4.475) 13.732 6.915 ( 17.113 13.505 -19.475) 29.232 6.915 ( 17.113 13.505 19.475) 29.232 7.492 ( 0.950 3.297 -1.902) 3.923 7.492 ( 0.950 3.297 1.902) 3.923 7.924 ( 2.766 -0.420 -6.480) 7.058 7.924 ( 2.766 -0.420 6.480) 7.058 8.697 ( 3.910 -5.296 -10.113) 12.066 8.697 ( 3.910 -5.296 10.113) 12.066 9.688 ( 6.903 14.579 -14.366) 21.601 9.688 ( 6.903 14.579 14.366) 21.601 10.451 ( -4.287 -1.435 -6.260) 7.722 10.451 ( -4.287 -1.435 6.260) 7.722 10.947 ( -10.717 -0.928 -8.736) 13.858 10.947 ( -10.717 -0.928 8.736) 13.858 12.111 ( 7.300 -10.321 -3.314) 13.069 12.111 ( 7.300 -10.321 3.314) 13.069 13.806 ( -8.050 4.280 -3.923) 9.925 13.806 ( -8.050 4.280 3.923) 9.925 14.416 ( -0.872 -3.690 -3.778) 5.352 14.416 ( -0.872 -3.690 3.778) 5.352======================= Grid point 567 (172/180) =======================q-point: ( 0.27 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.680 ( -1.396 6.119 -12.300) 13.809 2.680 ( -1.396 6.119 12.300) 13.809 3.049 ( 2.536 7.185 -12.355) 14.516 3.049 ( 2.536 7.185 12.355) 14.516 3.215 ( -8.024 5.940 -4.441) 10.926 3.215 ( -8.024 5.940 4.441) 10.926 3.731 ( -0.674 0.316 -3.425) 3.505 3.731 ( -0.674 0.316 3.425) 3.505 4.693 ( -1.453 -7.141 -10.691) 12.938 4.693 ( -1.454 -7.141 10.691) 12.938 4.846 ( -7.092 -8.090 -4.599) 11.700 4.846 ( -7.092 -8.090 4.599) 11.700 5.598 ( -0.954 7.851 -4.487) 9.093 5.598 ( -0.954 7.851 4.487) 9.093 6.266 ( -10.084 -10.492 -8.598) 16.902 6.266 ( -10.084 -10.492 8.598) 16.902 7.242 ( 15.048 16.148 -16.092) 27.316 7.242 ( 15.048 16.148 16.092) 27.316 7.538 ( 4.877 2.455 -7.484) 9.264 7.538 ( 4.877 2.455 7.484) 9.264 8.010 ( 4.926 -2.122 -9.166) 10.620 8.010 ( 4.926 -2.122 9.166) 10.620 8.724 ( -1.473 -9.268 -8.306) 12.532 8.724 ( -1.473 -9.268 8.306) 12.532 9.812 ( 5.519 7.685 -14.659) 17.447 9.812 ( 5.519 7.685 14.659) 17.447 10.400 ( -0.951 4.251 -3.199) 5.405 10.400 ( -0.951 4.251 3.199) 5.405 10.802 ( -3.352 3.867 -5.745) 7.694 10.802 ( -3.352 3.867 5.745) 7.694 12.129 ( -5.887 -3.972 -7.211) 10.121 12.129 ( -5.887 -3.972 7.211) 10.121 13.716 ( -0.466 -0.061 -3.491) 3.522 13.716 ( -0.466 -0.061 3.491) 3.522 14.367 ( -4.077 -4.772 -3.044) 6.976 14.367 ( -4.077 -4.772 3.044) 6.976======================= Grid point 569 (173/180) =======================q-point: ( 0.36 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.675 ( 0.962 6.417 -12.665) 14.230 2.675 ( 0.962 6.417 12.665) 14.230 2.974 ( -8.192 9.241 -9.260) 15.435 2.974 ( -8.192 9.241 9.260) 15.435 3.218 ( 6.710 -1.110 -10.779) 12.746 3.218 ( 6.710 -1.110 10.779) 12.746 3.705 ( -3.187 -2.408 -2.784) 4.869 3.705 ( -3.187 -2.408 2.784) 4.869 4.580 ( -5.035 -12.470 -15.801) 20.749 4.580 ( -5.035 -12.470 15.801) 20.749 4.798 ( -2.329 -4.000 -7.852) 9.114 4.798 ( -2.329 -4.000 7.852) 9.114 5.615 ( 2.993 7.414 -4.842) 9.347 5.615 ( 2.993 7.414 4.842) 9.347 6.063 ( -10.361 -6.379 -7.693) 14.395 6.063 ( -10.361 -6.379 7.693) 14.395 7.469 ( 9.054 14.217 -7.248) 18.348 7.469 ( 9.054 14.217 7.248) 18.348 7.678 ( 7.331 1.364 -12.781) 14.797 7.678 ( 7.331 1.364 12.781) 14.797 8.104 ( 5.410 -1.691 -7.761) 9.611 8.104 ( 5.410 -1.691 7.761) 9.611 8.637 ( -7.273 -10.253 -7.588) 14.683 8.637 ( -7.273 -10.253 7.588) 14.683 9.917 ( 5.952 3.259 -14.902) 16.374 9.917 ( 5.952 3.259 14.902) 16.374 10.354 ( -5.042 3.809 -10.996) 12.682 10.354 ( -5.042 3.809 10.996) 12.682 10.868 ( 10.395 9.653 -7.232) 15.923 10.868 ( 10.395 9.653 7.232) 15.923 11.901 ( -16.443 3.034 -10.155) 19.563 11.901 ( -16.443 3.034 10.155) 19.563 13.783 ( 6.568 -4.361 -3.034) 8.448 13.783 ( 6.568 -4.361 3.034) 8.448 14.261 ( -6.726 -5.739 -2.782) 9.270 14.261 ( -6.726 -5.739 2.782) 9.270======================= Grid point 571 (174/180) =======================q-point: ( 0.45 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.721 ( 3.906 6.727 -12.027) 14.323 2.721 ( 3.906 6.727 12.027) 14.323 2.825 ( -6.698 7.444 -10.606) 14.587 2.825 ( -6.698 7.444 10.606) 14.587 3.387 ( 10.030 -3.954 -8.469) 13.710 3.387 ( 10.030 -3.954 8.469) 13.710 3.582 ( -9.130 -4.954 -5.230) 11.630 3.582 ( -9.130 -4.954 5.230) 11.630 4.578 ( 4.431 -8.565 -13.250) 16.388 4.578 ( 4.431 -8.565 13.250) 16.388 4.703 ( -6.889 -5.734 -9.878) 13.338 4.703 ( -6.889 -5.734 9.878) 13.338 5.715 ( 7.024 3.871 -2.911) 8.532 5.715 ( 7.024 3.871 2.911) 8.532 5.874 ( -9.058 -1.000 -4.090) 9.989 5.874 ( -9.058 -1.000 4.090) 9.989 7.628 ( 7.380 8.830 -3.426) 12.007 7.628 ( 7.380 8.830 3.426) 12.007 7.732 ( -2.239 5.205 -4.644) 7.326 7.732 ( -2.239 5.205 4.644) 7.326 8.253 ( 9.961 -4.210 -3.413) 11.340 8.253 ( 9.961 -4.210 3.413) 11.340 8.459 ( -10.467 -7.870 -6.837) 14.773 8.459 ( -10.467 -7.870 6.837) 14.773 10.055 ( 8.096 2.346 -15.032) 17.234 10.055 ( 8.096 2.346 15.032) 17.234 10.218 ( -8.256 2.573 -14.201) 16.627 10.218 ( -8.256 2.573 14.201) 16.627 11.159 ( 18.215 10.311 -11.047) 23.667 11.159 ( 18.215 10.311 11.047) 23.667 11.537 ( -19.987 7.706 -11.518) 24.321 11.537 ( -19.987 7.706 11.518) 24.321 13.940 ( 8.925 -6.162 -2.685) 11.173 13.940 ( 8.925 -6.162 2.685) 11.173 14.112 ( -8.513 -6.333 -2.650) 10.936 14.112 ( -8.513 -6.333 2.650) 10.936======================= Grid point 583 (175/180) =======================q-point: ( 0.00 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.960 ( 0.000 3.731 -13.647) 14.148 2.960 ( 0.000 3.731 13.647) 14.148 2.986 ( 0.000 1.683 -16.769) 16.853 2.986 ( 0.000 1.683 16.769) 16.853 3.676 ( 0.000 3.790 -14.409) 14.899 3.676 ( 0.000 3.790 14.409) 14.899 3.734 ( 0.000 -2.312 -11.483) 11.714 3.734 ( 0.000 -2.312 11.483) 11.714 5.059 ( 0.000 7.699 -11.349) 13.714 5.059 ( 0.000 7.699 11.349) 13.714 5.090 ( 0.000 4.498 -10.365) 11.299 5.090 ( 0.000 4.498 10.365) 11.299 5.916 ( 0.000 -2.805 -14.671) 14.937 5.916 ( 0.000 -2.805 14.671) 14.937 5.987 ( 0.000 -9.800 -7.265) 12.199 5.987 ( 0.000 -9.800 7.265) 12.199 6.891 ( 0.000 15.134 -8.118) 17.174 6.891 ( 0.000 15.134 8.118) 17.174 7.186 ( 0.000 -14.489 -3.286) 14.857 7.186 ( 0.000 -14.489 3.286) 14.857 8.210 ( 0.000 11.794 -16.607) 20.369 8.210 ( 0.000 11.794 16.607) 20.369 8.426 ( 0.000 -9.316 -16.860) 19.263 8.426 ( 0.000 -9.316 16.860) 19.263 9.965 ( 0.000 23.802 -14.152) 27.691 9.965 ( 0.000 23.802 14.152) 27.691 10.370 ( 0.000 -16.017 -12.407) 20.260 10.370 ( 0.000 -16.017 12.407) 20.260 11.362 ( 0.000 -1.345 -5.072) 5.248 11.362 ( 0.000 -1.345 5.072) 5.248 11.424 ( 0.000 -7.077 -7.575) 10.366 11.424 ( 0.000 -7.077 7.575) 10.366 14.202 ( 0.000 5.608 -8.473) 10.161 14.202 ( 0.000 5.608 8.473) 10.161 14.299 ( 0.000 -4.329 -8.643) 9.666 14.299 ( 0.000 -4.329 8.643) 9.666======================= Grid point 585 (176/180) =======================q-point: ( 0.09 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.888 ( -4.446 2.671 -10.833) 12.011 2.888 ( -4.446 2.671 10.833) 12.011 3.033 ( 2.243 2.264 -18.234) 18.511 3.033 ( 2.243 2.264 18.234) 18.511 3.638 ( -2.593 4.380 -11.756) 12.811 3.638 ( -2.593 4.380 11.756) 12.811 3.765 ( 1.072 -1.619 -7.507) 7.754 3.765 ( 1.072 -1.619 7.507) 7.754 4.878 ( -10.329 8.529 -3.876) 13.944 4.878 ( -10.329 8.529 3.876) 13.944 5.091 ( -7.299 -3.129 -9.900) 12.691 5.091 ( -7.299 -3.129 9.900) 12.691 5.757 ( -3.973 -0.332 -7.192) 8.223 5.757 ( -3.973 -0.332 7.192) 8.223 6.194 ( 7.607 -7.748 -6.067) 12.438 6.194 ( 7.607 -7.748 6.067) 12.438 6.927 ( 5.898 11.889 -9.627) 16.396 6.927 ( 5.898 11.889 9.627) 16.396 7.291 ( 9.415 -9.591 -5.873) 14.667 7.291 ( 9.415 -9.591 5.873) 14.667 8.098 ( -8.413 7.272 -13.957) 17.845 8.098 ( -8.413 7.272 13.957) 17.845 8.500 ( 4.941 -5.838 -15.795) 17.549 8.500 ( 4.941 -5.838 15.795) 17.549 9.960 ( -0.731 18.390 -13.332) 22.726 9.960 ( -0.731 18.390 13.332) 22.726 10.376 ( 0.911 -11.049 -10.906) 15.551 10.376 ( 0.911 -11.049 10.906) 15.551 11.135 ( -11.390 -1.287 -9.980) 15.198 11.135 ( -11.390 -1.287 9.980) 15.198 11.687 ( 14.753 -6.126 -2.278) 16.136 11.687 ( 14.753 -6.126 2.278) 16.136 14.070 ( -9.948 2.646 -8.050) 13.068 14.070 ( -9.948 2.646 8.050) 13.068 14.355 ( 2.344 -1.584 -7.480) 7.997 14.355 ( 2.344 -1.584 7.480) 7.997======================= Grid point 587 (177/180) =======================q-point: ( 0.18 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.810 ( -3.316 2.362 -8.460) 9.388 2.810 ( -3.316 2.362 8.460) 9.388 3.069 ( 1.639 1.502 -19.362) 19.489 3.069 ( 1.639 1.502 19.362) 19.490 3.577 ( -4.533 9.294 -3.991) 11.084 3.577 ( -4.533 9.294 3.991) 11.084 3.737 ( -3.709 -3.704 -5.035) 7.269 3.737 ( -3.709 -3.704 5.035) 7.269 4.722 ( -6.462 5.234 -9.723) 12.794 4.722 ( -6.462 5.234 9.723) 12.794 4.866 ( -11.840 -9.022 -8.989) 17.389 4.866 ( -11.840 -9.022 8.989) 17.389 5.751 ( 1.383 5.536 -3.384) 6.634 5.751 ( 1.383 5.536 3.384) 6.634 6.205 ( -5.229 -8.459 -3.938) 10.696 6.205 ( -5.229 -8.459 3.938) 10.696 7.153 ( 15.742 8.695 -15.546) 23.772 7.153 ( 15.742 8.695 15.546) 23.772 7.496 ( 10.363 -2.288 -8.233) 13.432 7.496 ( 10.363 -2.288 8.233) 13.432 7.953 ( -5.358 2.404 -9.429) 11.108 7.953 ( -5.358 2.404 9.429) 11.108 8.570 ( 1.901 -5.182 -13.230) 14.335 8.570 ( 1.901 -5.182 13.230) 14.335 9.933 ( -1.813 7.942 -12.316) 14.766 9.933 ( -1.813 7.942 12.316) 14.766 10.416 ( 3.094 -1.620 -6.393) 7.285 10.416 ( 3.094 -1.620 6.393) 7.285 10.955 ( -6.920 1.025 -10.547) 12.656 10.955 ( -6.920 1.025 10.547) 12.656 11.939 ( 10.287 -5.637 -4.010) 12.397 11.939 ( 10.287 -5.637 4.010) 12.397 13.867 ( -10.129 1.680 -8.391) 13.260 13.867 ( -10.129 1.680 8.391) 13.260 14.363 ( -1.507 -1.479 -7.072) 7.380 14.363 ( -1.507 -1.479 7.072) 7.380======================= Grid point 589 (178/180) =======================q-point: ( 0.27 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.766 ( -1.172 2.363 -7.700) 8.140 2.766 ( -1.172 2.363 7.700) 8.140 3.105 ( 2.081 0.302 -18.560) 18.678 3.105 ( 2.081 0.302 18.560) 18.678 3.424 ( -10.760 12.160 -10.194) 19.172 3.424 ( -10.760 12.160 10.194) 19.172 3.672 ( -2.548 -6.293 -3.489) 7.634 3.672 ( -2.548 -6.293 3.489) 7.634 4.530 ( -10.913 -6.243 -15.705) 20.117 4.530 ( -10.913 -6.243 15.705) 20.117 4.776 ( 0.015 -0.823 -5.389) 5.451 4.776 ( 0.015 -0.823 5.389) 5.451 5.772 ( 0.443 8.652 -3.827) 9.471 5.772 ( 0.443 8.652 3.827) 9.471 6.061 ( -8.113 -9.414 -8.779) 15.216 6.061 ( -8.113 -9.414 8.779) 15.216 7.456 ( 13.331 4.249 -16.513) 21.644 7.456 ( 13.331 4.249 16.513) 21.644 7.652 ( 6.034 8.619 -5.739) 11.985 7.652 ( 6.034 8.619 5.739) 11.985 7.932 ( 3.439 -5.350 -8.109) 10.305 7.932 ( 3.439 -5.350 8.109) 10.305 8.568 ( -2.196 -5.044 -9.296) 10.801 8.568 ( -2.196 -5.044 9.296) 10.801 9.911 ( 0.174 2.371 -13.019) 13.235 9.911 ( 0.174 2.371 13.019) 13.235 10.463 ( 0.249 1.664 -4.898) 5.179 10.463 ( 0.249 1.664 4.898) 5.179 10.893 ( 1.636 3.783 -7.250) 8.340 10.893 ( 1.636 3.783 7.250) 8.340 12.047 ( -0.061 -3.126 -7.981) 8.572 12.047 ( -0.061 -3.126 7.981) 8.572 13.718 ( -4.206 0.113 -8.218) 9.233 13.718 ( -4.206 0.113 8.218) 9.233 14.300 ( -4.892 -1.867 -6.726) 8.525 14.300 ( -4.892 -1.867 6.726) 8.525======================= Grid point 591 (179/180) =======================q-point: ( 0.36 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.767 ( 1.452 2.665 -8.371) 8.904 2.767 ( 1.452 2.665 8.371) 8.904 3.114 ( -4.772 2.274 -7.249) 8.972 3.114 ( -4.772 2.274 7.249) 8.972 3.249 ( -2.425 5.603 -8.392) 10.378 3.249 ( -2.425 5.603 8.392) 10.378 3.603 ( -5.393 -6.461 -2.484) 8.775 3.603 ( -5.393 -6.461 2.484) 8.775 4.399 ( -1.474 -5.000 -14.541) 15.447 4.399 ( -1.474 -5.000 14.541) 15.447 4.755 ( -3.521 -0.841 -6.255) 7.227 4.755 ( -3.521 -0.841 6.255) 7.227 5.772 ( 0.116 8.279 -3.862) 9.136 5.772 ( 0.116 8.279 3.862) 9.136 5.930 ( -5.089 -7.402 -6.302) 10.973 5.930 ( -5.089 -7.402 6.302) 10.973 7.616 ( 4.821 1.292 -9.773) 10.973 7.616 ( 4.821 1.292 9.773) 10.973 7.779 ( 5.388 7.818 -4.704) 10.596 7.779 ( 5.388 7.818 4.704) 10.596 8.047 ( 7.688 -4.027 -10.180) 13.378 8.047 ( 7.688 -4.027 10.180) 13.378 8.491 ( -5.387 -3.916 -7.050) 9.698 8.491 ( -5.387 -3.916 7.050) 9.698 9.957 ( 4.680 0.958 -14.855) 15.605 9.957 ( 4.680 0.958 14.855) 15.605 10.399 ( -6.242 0.988 -12.984) 14.440 10.399 ( -6.242 0.988 12.984) 14.440 11.032 ( 11.823 5.359 -10.900) 16.950 11.032 ( 11.823 5.359 10.900) 16.950 11.929 ( -11.442 0.288 -11.098) 15.943 11.929 ( -11.442 0.288 11.098) 15.943 13.720 ( 4.099 -1.772 -7.232) 8.500 13.720 ( 4.099 -1.772 7.232) 8.500 14.179 ( -7.423 -2.324 -6.434) 10.094 14.179 ( -7.423 -2.324 6.434) 10.094======================= Grid point 593 (180/180) =======================q-point: ( 0.45 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 297Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.827 ( 4.772 3.326 -9.446) 11.093 2.827 ( 4.772 3.326 9.446) 11.093 2.954 ( -8.282 4.549 -8.767) 12.890 2.954 ( -8.282 4.549 8.767) 12.890 3.320 ( 6.539 -2.004 -9.215) 11.476 3.320 ( 6.539 -2.004 9.215) 11.476 3.466 ( -8.018 -5.133 -7.465) 12.098 3.466 ( -8.018 -5.133 7.465) 12.098 4.466 ( 7.243 -2.828 -12.012) 14.309 4.466 ( 7.243 -2.828 12.012) 14.309 4.631 ( -8.548 -1.695 -9.028) 12.547 4.631 ( -8.548 -1.695 9.028) 12.547 5.795 ( 2.291 3.708 -3.985) 5.906 5.795 ( 2.291 3.708 3.985) 5.906 5.852 ( -3.385 -1.698 -1.995) 4.280 5.852 ( -3.385 -1.698 1.995) 4.280 7.711 ( 5.205 0.877 -8.151) 9.711 7.711 ( 5.205 0.877 8.151) 9.711 7.799 ( -2.866 1.805 -5.197) 6.203 7.799 ( -2.866 1.805 5.197) 6.203 8.214 ( 8.745 -0.590 -11.509) 14.466 8.214 ( 8.745 -0.590 11.509) 14.466 8.369 ( -7.130 -1.748 -9.518) 12.020 8.369 ( -7.130 -1.748 9.518) 12.020 10.084 ( 8.003 0.723 -15.541) 17.496 10.084 ( 8.003 0.723 15.541) 17.496 10.249 ( -8.562 0.765 -15.071) 17.351 10.249 ( -8.562 0.765 15.071) 17.351 11.314 ( 16.462 4.571 -12.790) 21.342 11.314 ( 16.462 4.571 12.790) 21.342 11.644 ( -16.804 2.875 -12.718) 21.269 11.644 ( -16.804 2.875 12.718) 21.269 13.848 ( 8.320 -2.650 -6.465) 10.865 13.848 ( 8.320 -2.650 6.465) 10.865 14.019 ( -8.828 -2.670 -6.284) 11.160 14.019 ( -8.828 -2.670 6.284) 11.160=================== 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 10.0 901.195 1165.084 1396.404 0.000 0.000 -0.000 3/35640 20.0 608.557 519.077 616.076 0.000 0.000 -0.000 3/35640 30.0 249.354 222.900 260.174 0.000 0.000 -0.000 3/35640 40.0 128.465 120.053 139.609 0.000 0.000 -0.000 3/35640 50.0 77.831 75.252 87.123 0.000 0.000 -0.000 3/35640 60.0 52.288 51.781 59.630 0.000 0.000 -0.000 3/35640 70.0 37.831 38.045 43.610 0.000 0.000 -0.000 3/35640 80.0 28.949 29.387 33.578 0.000 0.000 -0.000 3/35640 90.0 23.133 23.607 26.927 0.000 0.000 -0.000 3/35640 100.0 19.120 19.565 22.303 0.000 0.000 -0.000 3/35640 110.0 16.231 16.625 18.956 0.000 0.000 -0.000 3/35640 120.0 14.075 14.414 16.448 0.000 0.000 -0.000 3/35640 130.0 12.416 12.705 14.513 0.000 0.000 -0.000 3/35640 140.0 11.107 11.351 12.983 0.000 0.000 -0.000 3/35640 150.0 10.050 10.256 11.747 0.000 0.000 -0.000 3/35640 160.0 9.182 9.355 10.728 0.000 0.000 -0.000 3/35640 170.0 8.456 8.601 9.877 0.000 0.000 -0.000 3/35640 180.0 7.840 7.962 9.154 0.000 0.000 -0.000 3/35640 190.0 7.312 7.414 8.534 0.000 0.000 -0.000 3/35640 200.0 6.853 6.938 7.995 0.000 0.000 -0.000 3/35640 210.0 6.451 6.522 7.523 0.000 0.000 -0.000 3/35640 220.0 6.096 6.155 7.106 0.000 0.000 -0.000 3/35640 230.0 5.780 5.828 6.735 0.000 0.000 -0.000 3/35640 240.0 5.496 5.535 6.402 0.000 0.000 -0.000 3/35640 250.0 5.240 5.272 6.102 0.000 0.000 -0.000 3/35640 260.0 5.009 5.034 5.830 0.000 0.000 -0.000 3/35640 270.0 4.797 4.817 5.582 0.000 0.000 -0.000 3/35640 280.0 4.604 4.619 5.355 0.000 0.000 -0.000 3/35640 290.0 4.426 4.437 5.147 0.000 0.000 -0.000 3/35640 300.0 4.262 4.269 4.955 0.000 0.000 -0.000 3/35640 310.0 4.110 4.114 4.777 0.000 0.000 -0.000 3/35640 320.0 3.969 3.970 4.612 0.000 0.000 -0.000 3/35640 330.0 3.838 3.837 4.458 0.000 0.000 -0.000 3/35640 340.0 3.715 3.712 4.315 0.000 0.000 -0.000 3/35640 350.0 3.601 3.595 4.181 0.000 0.000 -0.000 3/35640 360.0 3.493 3.486 4.055 0.000 0.000 -0.000 3/35640 370.0 3.392 3.384 3.937 0.000 0.000 -0.000 3/35640 380.0 3.296 3.287 3.826 0.000 0.000 -0.000 3/35640 390.0 3.206 3.196 3.721 0.000 0.000 -0.000 3/35640 400.0 3.121 3.110 3.622 0.000 0.000 -0.000 3/35640 410.0 3.041 3.029 3.528 0.000 0.000 -0.000 3/35640 420.0 2.965 2.952 3.439 0.000 0.000 -0.000 3/35640 430.0 2.892 2.879 3.354 0.000 0.000 -0.000 3/35640 440.0 2.823 2.809 3.274 0.000 0.000 -0.000 3/35640 450.0 2.757 2.743 3.197 0.000 0.000 -0.000 3/35640 460.0 2.695 2.680 3.124 0.000 0.000 -0.000 3/35640 470.0 2.635 2.620 3.055 0.000 0.000 -0.000 3/35640 480.0 2.578 2.563 2.988 0.000 0.000 -0.000 3/35640 490.0 2.523 2.508 2.925 0.000 0.000 -0.000 3/35640 500.0 2.471 2.455 2.864 0.000 0.000 -0.000 3/35640 510.0 2.421 2.405 2.805 0.000 0.000 -0.000 3/35640 520.0 2.372 2.357 2.749 0.000 0.000 -0.000 3/35640 530.0 2.326 2.310 2.695 0.000 0.000 -0.000 3/35640 540.0 2.282 2.266 2.644 0.000 0.000 -0.000 3/35640 550.0 2.239 2.223 2.594 0.000 0.000 -0.000 3/35640 560.0 2.198 2.182 2.546 0.000 0.000 -0.000 3/35640 570.0 2.158 2.142 2.500 0.000 0.000 -0.000 3/35640 580.0 2.120 2.104 2.456 0.000 0.000 -0.000 3/35640 590.0 2.083 2.067 2.413 0.000 0.000 -0.000 3/35640 600.0 2.047 2.031 2.372 0.000 0.000 -0.000 3/35640 610.0 2.013 1.997 2.332 0.000 0.000 -0.000 3/35640 620.0 1.980 1.964 2.293 0.000 0.000 -0.000 3/35640 630.0 1.948 1.932 2.256 0.000 0.000 -0.000 3/35640 640.0 1.917 1.901 2.220 0.000 0.000 -0.000 3/35640 650.0 1.886 1.871 2.185 0.000 0.000 -0.000 3/35640 660.0 1.857 1.842 2.151 0.000 0.000 -0.000 3/35640 670.0 1.829 1.813 2.118 0.000 0.000 -0.000 3/35640 680.0 1.802 1.786 2.086 0.000 0.000 -0.000 3/35640 690.0 1.775 1.760 2.055 0.000 0.000 -0.000 3/35640 700.0 1.749 1.734 2.025 0.000 0.000 -0.000 3/35640 710.0 1.724 1.709 1.996 0.000 0.000 -0.000 3/35640 720.0 1.700 1.685 1.968 0.000 0.000 -0.000 3/35640 730.0 1.676 1.661 1.941 0.000 0.000 -0.000 3/35640 740.0 1.653 1.638 1.914 0.000 0.000 -0.000 3/35640 750.0 1.631 1.616 1.888 0.000 0.000 -0.000 3/35640 760.0 1.609 1.594 1.863 0.000 0.000 -0.000 3/35640 770.0 1.588 1.573 1.838 0.000 0.000 -0.000 3/35640 780.0 1.567 1.553 1.814 0.000 0.000 -0.000 3/35640 790.0 1.547 1.533 1.791 0.000 0.000 -0.000 3/35640 800.0 1.527 1.513 1.768 0.000 0.000 -0.000 3/35640 810.0 1.508 1.494 1.746 0.000 0.000 -0.000 3/35640 820.0 1.490 1.476 1.724 0.000 0.000 -0.000 3/35640 830.0 1.471 1.457 1.703 0.000 0.000 -0.000 3/35640 840.0 1.454 1.440 1.683 0.000 0.000 -0.000 3/35640 850.0 1.436 1.423 1.663 0.000 0.000 -0.000 3/35640 860.0 1.420 1.406 1.643 0.000 0.000 -0.000 3/35640 870.0 1.403 1.389 1.624 0.000 0.000 -0.000 3/35640 880.0 1.387 1.373 1.605 0.000 0.000 -0.000 3/35640 890.0 1.371 1.358 1.587 0.000 0.000 -0.000 3/35640 900.0 1.356 1.342 1.569 0.000 0.000 -0.000 3/35640 910.0 1.341 1.328 1.552 0.000 0.000 -0.000 3/35640 920.0 1.326 1.313 1.535 0.000 0.000 -0.000 3/35640 930.0 1.312 1.299 1.518 0.000 0.000 -0.000 3/35640 940.0 1.298 1.285 1.502 0.000 0.000 -0.000 3/35640 950.0 1.284 1.271 1.486 0.000 0.000 -0.000 3/35640 960.0 1.270 1.258 1.470 0.000 0.000 -0.000 3/35640 970.0 1.257 1.244 1.455 0.000 0.000 -0.000 3/35640 980.0 1.244 1.232 1.440 0.000 0.000 -0.000 3/35640 990.0 1.231 1.219 1.425 0.000 0.000 -0.000 3/35640 1000.0 1.219 1.207 1.411 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 2026-01-07 22:34:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|