# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/cdb1599d-b286-4759-884a-690c4b50e57b/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 KHfCuS3 / Cmcm (63) / materials id 9855](https://mdr.nims.go.jp/datasets/89b1e69f-3a7d-4343-bc6d-f289e17a115d) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:35:19]-------------------------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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 1.841724505000000 -7.029635935000000 0.000000000000000 b 1.841724505000000 7.029635935000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.619689320000001Atomic positions (fractional): *1 S 0.62050767727875 0.37949232272125 0.55179517037732 32.065 2 S 0.37949232272125 0.62050767727875 0.44820482962268 32.065 3 S 0.37949232272125 0.62050767727875 0.05179517037732 32.065 *4 S 0.93605733082237 0.06394266917763 0.75000000000000 32.065 5 S 0.06394266917763 0.93605733082237 0.25000000000000 32.065 6 S 0.62050767727875 0.37949232272125 0.94820482962268 32.065 *7 K 0.74580947585268 0.25419052414732 0.25000000000000 39.098 8 K 0.25419052414732 0.74580947585268 0.75000000000000 39.098 *9 Cu 0.46618495937388 0.53381504062612 0.25000000000000 63.546 10 Cu 0.53381504062612 0.46618495937388 0.75000000000000 63.546 *11 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 12 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.683449009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.059271870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.619689320000001Atomic positions (fractional): *1 S 0.00000000000000 0.37949232272125 0.55179517037732 32.065 > 1 2 S 0.50000000000000 0.12050767727875 0.44820482962268 32.065 > 2 3 S 0.50000000000000 0.12050767727875 0.05179517037732 32.065 > 3 *4 S 0.00000000000000 0.06394266917763 0.75000000000000 32.065 > 4 5 S 0.50000000000000 0.43605733082237 0.25000000000000 32.065 > 5 6 S 0.00000000000000 0.37949232272125 0.94820482962268 32.065 > 6 7 S 0.50000000000000 0.87949232272125 0.55179517037732 32.065 > 1 8 S 0.00000000000000 0.62050767727875 0.44820482962268 32.065 > 2 9 S 0.00000000000000 0.62050767727875 0.05179517037732 32.065 > 3 10 S 0.50000000000000 0.56394266917763 0.75000000000000 32.065 > 4 11 S 0.00000000000000 0.93605733082237 0.25000000000000 32.065 > 5 12 S 0.50000000000000 0.87949232272125 0.94820482962268 32.065 > 6 *13 K 0.00000000000000 0.25419052414732 0.25000000000000 39.098 > 7 14 K 0.50000000000000 0.24580947585268 0.75000000000000 39.098 > 8 15 K 0.50000000000000 0.75419052414732 0.25000000000000 39.098 > 7 16 K 0.00000000000000 0.74580947585268 0.75000000000000 39.098 > 8 *17 Cu 0.50000000000000 0.03381504062612 0.25000000000000 63.546 > 9 18 Cu 0.00000000000000 0.46618495937388 0.75000000000000 63.546 > 10 19 Cu 0.00000000000000 0.53381504062612 0.25000000000000 63.546 > 9 20 Cu 0.50000000000000 0.96618495937388 0.75000000000000 63.546 > 10 *21 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 11 22 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 12 23 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 11 24 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 11.050347029999998 0.000000000000000 0.000000000000000 b 0.000000000000000 14.059271870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 19.239378640000002Atomic positions (fractional): *1 S 0.00000000000000 0.37949232272125 0.27589758518866 32.065 > 1 2 S 0.33333333333333 0.37949232272125 0.27589758518866 32.065 > 1 3 S 0.66666666666667 0.37949232272125 0.27589758518866 32.065 > 1 4 S 0.00000000000000 0.37949232272125 0.77589758518866 32.065 > 1 5 S 0.33333333333333 0.37949232272125 0.77589758518866 32.065 > 1 6 S 0.66666666666667 0.37949232272125 0.77589758518866 32.065 > 1 7 S 0.16666666666667 0.12050767727875 0.22410241481134 32.065 > 2 8 S 0.50000000000000 0.12050767727875 0.22410241481134 32.065 > 2 9 S 0.83333333333333 0.12050767727875 0.22410241481134 32.065 > 2 10 S 0.16666666666667 0.12050767727875 0.72410241481134 32.065 > 2 11 S 0.50000000000000 0.12050767727875 0.72410241481134 32.065 > 2 12 S 0.83333333333333 0.12050767727875 0.72410241481134 32.065 > 2 13 S 0.16666666666667 0.12050767727875 0.02589758518866 32.065 > 3 14 S 0.50000000000000 0.12050767727875 0.02589758518866 32.065 > 3 15 S 0.83333333333333 0.12050767727875 0.02589758518866 32.065 > 3 16 S 0.16666666666667 0.12050767727875 0.52589758518866 32.065 > 3 17 S 0.50000000000000 0.12050767727875 0.52589758518866 32.065 > 3 18 S 0.83333333333333 0.12050767727875 0.52589758518866 32.065 > 3 *19 S 0.00000000000000 0.06394266917763 0.37500000000000 32.065 > 4 20 S 0.33333333333333 0.06394266917763 0.37500000000000 32.065 > 4 21 S 0.66666666666667 0.06394266917763 0.37500000000000 32.065 > 4 22 S 0.00000000000000 0.06394266917763 0.87500000000000 32.065 > 4 23 S 0.33333333333333 0.06394266917763 0.87500000000000 32.065 > 4 24 S 0.66666666666667 0.06394266917763 0.87500000000000 32.065 > 4 25 S 0.16666666666667 0.43605733082237 0.12500000000000 32.065 > 5 26 S 0.50000000000000 0.43605733082237 0.12500000000000 32.065 > 5 27 S 0.83333333333333 0.43605733082237 0.12500000000000 32.065 > 5 28 S 0.16666666666667 0.43605733082237 0.62500000000000 32.065 > 5 29 S 0.50000000000000 0.43605733082237 0.62500000000000 32.065 > 5 30 S 0.83333333333333 0.43605733082237 0.62500000000000 32.065 > 5 31 S 0.00000000000000 0.37949232272125 0.47410241481134 32.065 > 6 32 S 0.33333333333333 0.37949232272125 0.47410241481134 32.065 > 6 33 S 0.66666666666667 0.37949232272125 0.47410241481134 32.065 > 6 34 S 0.00000000000000 0.37949232272125 0.97410241481134 32.065 > 6 35 S 0.33333333333333 0.37949232272125 0.97410241481134 32.065 > 6 36 S 0.66666666666667 0.37949232272125 0.97410241481134 32.065 > 6 37 S 0.16666666666667 0.87949232272125 0.27589758518866 32.065 > 1 38 S 0.50000000000000 0.87949232272125 0.27589758518866 32.065 > 1 39 S 0.83333333333333 0.87949232272125 0.27589758518866 32.065 > 1 40 S 0.16666666666667 0.87949232272125 0.77589758518866 32.065 > 1 41 S 0.50000000000000 0.87949232272125 0.77589758518866 32.065 > 1 42 S 0.83333333333333 0.87949232272125 0.77589758518866 32.065 > 1 43 S 0.00000000000000 0.62050767727875 0.22410241481134 32.065 > 2 44 S 0.33333333333333 0.62050767727875 0.22410241481134 32.065 > 2 45 S 0.66666666666667 0.62050767727875 0.22410241481134 32.065 > 2 46 S 0.00000000000000 0.62050767727875 0.72410241481134 32.065 > 2 47 S 0.33333333333333 0.62050767727875 0.72410241481134 32.065 > 2 48 S 0.66666666666667 0.62050767727875 0.72410241481134 32.065 > 2 49 S 0.00000000000000 0.62050767727875 0.02589758518866 32.065 > 3 50 S 0.33333333333333 0.62050767727875 0.02589758518866 32.065 > 3 51 S 0.66666666666667 0.62050767727875 0.02589758518866 32.065 > 3 52 S 0.00000000000000 0.62050767727875 0.52589758518866 32.065 > 3 53 S 0.33333333333333 0.62050767727875 0.52589758518866 32.065 > 3 54 S 0.66666666666667 0.62050767727875 0.52589758518866 32.065 > 3 55 S 0.16666666666667 0.56394266917763 0.37500000000000 32.065 > 4 56 S 0.50000000000000 0.56394266917763 0.37500000000000 32.065 > 4 57 S 0.83333333333333 0.56394266917763 0.37500000000000 32.065 > 4 58 S 0.16666666666667 0.56394266917763 0.87500000000000 32.065 > 4 59 S 0.50000000000000 0.56394266917763 0.87500000000000 32.065 > 4 60 S 0.83333333333333 0.56394266917763 0.87500000000000 32.065 > 4 61 S 0.00000000000000 0.93605733082237 0.12500000000000 32.065 > 5 62 S 0.33333333333333 0.93605733082237 0.12500000000000 32.065 > 5 63 S 0.66666666666667 0.93605733082237 0.12500000000000 32.065 > 5 64 S 0.00000000000000 0.93605733082237 0.62500000000000 32.065 > 5 65 S 0.33333333333333 0.93605733082237 0.62500000000000 32.065 > 5 66 S 0.66666666666667 0.93605733082237 0.62500000000000 32.065 > 5 67 S 0.16666666666667 0.87949232272125 0.47410241481134 32.065 > 6 68 S 0.50000000000000 0.87949232272125 0.47410241481134 32.065 > 6 69 S 0.83333333333333 0.87949232272125 0.47410241481134 32.065 > 6 70 S 0.16666666666667 0.87949232272125 0.97410241481134 32.065 > 6 71 S 0.50000000000000 0.87949232272125 0.97410241481134 32.065 > 6 72 S 0.83333333333333 0.87949232272125 0.97410241481134 32.065 > 6 *73 K 0.00000000000000 0.25419052414732 0.12500000000000 39.098 > 7 74 K 0.33333333333333 0.25419052414732 0.12500000000000 39.098 > 7 75 K 0.66666666666667 0.25419052414732 0.12500000000000 39.098 > 7 76 K 0.00000000000000 0.25419052414732 0.62500000000000 39.098 > 7 77 K 0.33333333333333 0.25419052414732 0.62500000000000 39.098 > 7 78 K 0.66666666666667 0.25419052414732 0.62500000000000 39.098 > 7 79 K 0.16666666666667 0.24580947585268 0.37500000000000 39.098 > 8 80 K 0.50000000000000 0.24580947585268 0.37500000000000 39.098 > 8 81 K 0.83333333333333 0.24580947585268 0.37500000000000 39.098 > 8 82 K 0.16666666666667 0.24580947585268 0.87500000000000 39.098 > 8 83 K 0.50000000000000 0.24580947585268 0.87500000000000 39.098 > 8 84 K 0.83333333333333 0.24580947585268 0.87500000000000 39.098 > 8 85 K 0.16666666666667 0.75419052414732 0.12500000000000 39.098 > 7 86 K 0.50000000000000 0.75419052414732 0.12500000000000 39.098 > 7 87 K 0.83333333333333 0.75419052414732 0.12500000000000 39.098 > 7 88 K 0.16666666666667 0.75419052414732 0.62500000000000 39.098 > 7 89 K 0.50000000000000 0.75419052414732 0.62500000000000 39.098 > 7 90 K 0.83333333333333 0.75419052414732 0.62500000000000 39.098 > 7 91 K 0.00000000000000 0.74580947585268 0.37500000000000 39.098 > 8 92 K 0.33333333333333 0.74580947585268 0.37500000000000 39.098 > 8 93 K 0.66666666666667 0.74580947585268 0.37500000000000 39.098 > 8 94 K 0.00000000000000 0.74580947585268 0.87500000000000 39.098 > 8 95 K 0.33333333333333 0.74580947585268 0.87500000000000 39.098 > 8 96 K 0.66666666666667 0.74580947585268 0.87500000000000 39.098 > 8 *97 Cu 0.16666666666667 0.03381504062612 0.12500000000000 63.546 > 9 98 Cu 0.50000000000000 0.03381504062612 0.12500000000000 63.546 > 9 99 Cu 0.83333333333333 0.03381504062612 0.12500000000000 63.546 > 9 100 Cu 0.16666666666667 0.03381504062612 0.62500000000000 63.546 > 9 101 Cu 0.50000000000000 0.03381504062612 0.62500000000000 63.546 > 9 102 Cu 0.83333333333333 0.03381504062612 0.62500000000000 63.546 > 9 103 Cu 0.00000000000000 0.46618495937388 0.37500000000000 63.546 > 10 104 Cu 0.33333333333333 0.46618495937388 0.37500000000000 63.546 > 10 105 Cu 0.66666666666667 0.46618495937388 0.37500000000000 63.546 > 10 106 Cu 0.00000000000000 0.46618495937388 0.87500000000000 63.546 > 10 107 Cu 0.33333333333333 0.46618495937388 0.87500000000000 63.546 > 10 108 Cu 0.66666666666667 0.46618495937388 0.87500000000000 63.546 > 10 109 Cu 0.00000000000000 0.53381504062612 0.12500000000000 63.546 > 9 110 Cu 0.33333333333333 0.53381504062612 0.12500000000000 63.546 > 9 111 Cu 0.66666666666667 0.53381504062612 0.12500000000000 63.546 > 9 112 Cu 0.00000000000000 0.53381504062612 0.62500000000000 63.546 > 9 113 Cu 0.33333333333333 0.53381504062612 0.62500000000000 63.546 > 9 114 Cu 0.66666666666667 0.53381504062612 0.62500000000000 63.546 > 9 115 Cu 0.16666666666667 0.96618495937388 0.37500000000000 63.546 > 10 116 Cu 0.50000000000000 0.96618495937388 0.37500000000000 63.546 > 10 117 Cu 0.83333333333333 0.96618495937388 0.37500000000000 63.546 > 10 118 Cu 0.16666666666667 0.96618495937388 0.87500000000000 63.546 > 10 119 Cu 0.50000000000000 0.96618495937388 0.87500000000000 63.546 > 10 120 Cu 0.83333333333333 0.96618495937388 0.87500000000000 63.546 > 10 *121 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 11 122 Hf 0.33333333333333 0.00000000000000 0.00000000000000 178.490 > 11 123 Hf 0.66666666666667 0.00000000000000 0.00000000000000 178.490 > 11 124 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 11 125 Hf 0.33333333333333 0.00000000000000 0.50000000000000 178.490 > 11 126 Hf 0.66666666666667 0.00000000000000 0.50000000000000 178.490 > 11 127 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 12 128 Hf 0.33333333333333 0.00000000000000 0.25000000000000 178.490 > 12 129 Hf 0.66666666666667 0.00000000000000 0.25000000000000 178.490 > 12 130 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 12 131 Hf 0.33333333333333 0.00000000000000 0.75000000000000 178.490 > 12 132 Hf 0.66666666666667 0.00000000000000 0.75000000000000 178.490 > 12 133 Hf 0.16666666666667 0.50000000000000 0.00000000000000 178.490 > 11 134 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 11 135 Hf 0.83333333333333 0.50000000000000 0.00000000000000 178.490 > 11 136 Hf 0.16666666666667 0.50000000000000 0.50000000000000 178.490 > 11 137 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 11 138 Hf 0.83333333333333 0.50000000000000 0.50000000000000 178.490 > 11 139 Hf 0.16666666666667 0.50000000000000 0.25000000000000 178.490 > 12 140 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 12 141 Hf 0.83333333333333 0.50000000000000 0.25000000000000 178.490 > 12 142 Hf 0.16666666666667 0.50000000000000 0.75000000000000 178.490 > 12 143 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 12 144 Hf 0.83333333333333 0.50000000000000 0.75000000000000 178.490 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 12.2442182 0.0000000 0.0000000 0.0000000 4.6635062 0.0000000 0.0000000 0.0000000 9.8299067-------------------------- Born effective charges -------------------------- 1 S -4.7096689 0.0000000 0.0000000 0.0000000 -1.5669554 0.1695497 0.0000000 0.1904379 -1.7696920 2 S -4.7096689 0.0000000 0.0000000 0.0000000 -1.5669554 0.1695497 0.0000000 0.1904379 -1.7696920 3 S -4.7096689 0.0000000 0.0000000 0.0000000 -1.5669554 -0.1695497 0.0000000 -0.1904379 -1.7696920 4 S -0.8744836 0.0000000 0.0000000 0.0000000 -0.9092612 0.0000000 0.0000000 0.0000000 -5.2142368 5 S -0.8744836 0.0000000 0.0000000 0.0000000 -0.9092612 0.0000000 0.0000000 0.0000000 -5.2142368 6 S -4.7096689 0.0000000 0.0000000 0.0000000 -1.5669554 -0.1695497 0.0000000 -0.1904379 -1.7696920 7 K 1.1218535 0.0000000 0.0000000 0.0000000 1.9282323 0.0000000 0.0000000 0.0000000 1.2756387 8 K 1.1218535 0.0000000 0.0000000 0.0000000 1.9282323 0.0000000 0.0000000 0.0000000 1.2756387 9 Cu 0.3640889 0.0000000 0.0000000 0.0000000 0.1156365 0.0000000 0.0000000 0.0000000 -0.3385120 10 Cu 0.3640889 0.0000000 0.0000000 0.0000000 0.1156365 0.0000000 0.0000000 0.0000000 -0.3385120 11 Hf 8.8078789 0.0000000 0.0000000 0.0000000 1.9993032 0.2548498 0.0000000 -0.3036730 7.8164941 12 Hf 8.8078789 0.0000000 0.0000000 0.0000000 1.9993032 -0.2548498 0.0000000 0.3036730 7.8164941----------------------------------------------------------------------------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: 9324/9324Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1140Number of blocks in projector: 1140Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 124Use standard eigh solver.Tree of FC basis block matrices:- (1140, 1121), data: False|-- (124, 124), data: True|-- (160, 160), data: True|-- (200, 195), data: True|-- (200, 195), data: True|-- (200, 195), data: True|-- (256, 252), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.007Solver_block: 100 / 240 - Time: 1.631Solver_block: 200 / 240 - Time: 1.633Solver_block: 240 / 240 - Time: 0.724Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.016--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432Permutation basis: 9324/9324Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1140Number of blocks in projector: 1140Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 124Use standard eigh solver.Tree of FC basis block matrices:- (1140, 1121), data: False|-- (124, 124), data: True|-- (160, 160), data: True|-- (200, 195), data: True|-- (200, 195), data: True|-- (200, 195), data: True|-- (256, 252), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:35:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:35:37]-------------------------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 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.841724505000000 -7.029635935000000 0.000000000000000 b 1.841724505000000 7.029635935000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.619689320000001Atomic positions (fractional): 1 S 0.62050767727875 0.37949232272125 0.55179517037732 32.065 2 S 0.37949232272125 0.62050767727875 0.44820482962268 32.065 3 S 0.37949232272125 0.62050767727875 0.05179517037732 32.065 4 S 0.93605733082237 0.06394266917763 0.75000000000000 32.065 5 S 0.06394266917763 0.93605733082237 0.25000000000000 32.065 6 S 0.62050767727875 0.37949232272125 0.94820482962268 32.065 7 K 0.74580947585268 0.25419052414732 0.25000000000000 39.098 8 K 0.25419052414732 0.74580947585268 0.75000000000000 39.098 9 Cu 0.46618495937388 0.53381504062612 0.25000000000000 63.546 10 Cu 0.53381504062612 0.46618495937388 0.75000000000000 63.546 11 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 12 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490-------------------------------- supercell ---------------------------------Lattice vectors: a 11.050347029999998 0.000000000000000 0.000000000000000 b 0.000000000000000 14.059271870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 19.239378640000002Atomic positions (fractional): 1 S 0.00000000000000 0.37949232272125 0.27589758518866 32.065 > 1 2 S 0.33333333333333 0.37949232272125 0.27589758518866 32.065 > 1 3 S 0.66666666666667 0.37949232272125 0.27589758518866 32.065 > 1 4 S 0.00000000000000 0.37949232272125 0.77589758518866 32.065 > 1 5 S 0.33333333333333 0.37949232272125 0.77589758518866 32.065 > 1 6 S 0.66666666666667 0.37949232272125 0.77589758518866 32.065 > 1 7 S 0.16666666666667 0.12050767727875 0.22410241481134 32.065 > 7 8 S 0.50000000000000 0.12050767727875 0.22410241481134 32.065 > 7 9 S 0.83333333333333 0.12050767727875 0.22410241481134 32.065 > 7 10 S 0.16666666666667 0.12050767727875 0.72410241481134 32.065 > 7 11 S 0.50000000000000 0.12050767727875 0.72410241481134 32.065 > 7 12 S 0.83333333333333 0.12050767727875 0.72410241481134 32.065 > 7 13 S 0.16666666666667 0.12050767727875 0.02589758518866 32.065 > 13 14 S 0.50000000000000 0.12050767727875 0.02589758518866 32.065 > 13 15 S 0.83333333333333 0.12050767727875 0.02589758518866 32.065 > 13 16 S 0.16666666666667 0.12050767727875 0.52589758518866 32.065 > 13 17 S 0.50000000000000 0.12050767727875 0.52589758518866 32.065 > 13 18 S 0.83333333333333 0.12050767727875 0.52589758518866 32.065 > 13 19 S 0.00000000000000 0.06394266917763 0.37500000000000 32.065 > 19 20 S 0.33333333333333 0.06394266917763 0.37500000000000 32.065 > 19 21 S 0.66666666666667 0.06394266917763 0.37500000000000 32.065 > 19 22 S 0.00000000000000 0.06394266917763 0.87500000000000 32.065 > 19 23 S 0.33333333333333 0.06394266917763 0.87500000000000 32.065 > 19 24 S 0.66666666666667 0.06394266917763 0.87500000000000 32.065 > 19 25 S 0.16666666666667 0.43605733082237 0.12500000000000 32.065 > 25 26 S 0.50000000000000 0.43605733082237 0.12500000000000 32.065 > 25 27 S 0.83333333333333 0.43605733082237 0.12500000000000 32.065 > 25 28 S 0.16666666666667 0.43605733082237 0.62500000000000 32.065 > 25 29 S 0.50000000000000 0.43605733082237 0.62500000000000 32.065 > 25 30 S 0.83333333333333 0.43605733082237 0.62500000000000 32.065 > 25 31 S 0.00000000000000 0.37949232272125 0.47410241481134 32.065 > 31 32 S 0.33333333333333 0.37949232272125 0.47410241481134 32.065 > 31 33 S 0.66666666666667 0.37949232272125 0.47410241481134 32.065 > 31 34 S 0.00000000000000 0.37949232272125 0.97410241481134 32.065 > 31 35 S 0.33333333333333 0.37949232272125 0.97410241481134 32.065 > 31 36 S 0.66666666666667 0.37949232272125 0.97410241481134 32.065 > 31 37 S 0.16666666666667 0.87949232272125 0.27589758518866 32.065 > 1 38 S 0.50000000000000 0.87949232272125 0.27589758518866 32.065 > 1 39 S 0.83333333333333 0.87949232272125 0.27589758518866 32.065 > 1 40 S 0.16666666666667 0.87949232272125 0.77589758518866 32.065 > 1 41 S 0.50000000000000 0.87949232272125 0.77589758518866 32.065 > 1 42 S 0.83333333333333 0.87949232272125 0.77589758518866 32.065 > 1 43 S 0.00000000000000 0.62050767727875 0.22410241481134 32.065 > 7 44 S 0.33333333333333 0.62050767727875 0.22410241481134 32.065 > 7 45 S 0.66666666666667 0.62050767727875 0.22410241481134 32.065 > 7 46 S 0.00000000000000 0.62050767727875 0.72410241481134 32.065 > 7 47 S 0.33333333333333 0.62050767727875 0.72410241481134 32.065 > 7 48 S 0.66666666666667 0.62050767727875 0.72410241481134 32.065 > 7 49 S 0.00000000000000 0.62050767727875 0.02589758518866 32.065 > 13 50 S 0.33333333333333 0.62050767727875 0.02589758518866 32.065 > 13 51 S 0.66666666666667 0.62050767727875 0.02589758518866 32.065 > 13 52 S 0.00000000000000 0.62050767727875 0.52589758518866 32.065 > 13 53 S 0.33333333333333 0.62050767727875 0.52589758518866 32.065 > 13 54 S 0.66666666666667 0.62050767727875 0.52589758518866 32.065 > 13 55 S 0.16666666666667 0.56394266917763 0.37500000000000 32.065 > 19 56 S 0.50000000000000 0.56394266917763 0.37500000000000 32.065 > 19 57 S 0.83333333333333 0.56394266917763 0.37500000000000 32.065 > 19 58 S 0.16666666666667 0.56394266917763 0.87500000000000 32.065 > 19 59 S 0.50000000000000 0.56394266917763 0.87500000000000 32.065 > 19 60 S 0.83333333333333 0.56394266917763 0.87500000000000 32.065 > 19 61 S 0.00000000000000 0.93605733082237 0.12500000000000 32.065 > 25 62 S 0.33333333333333 0.93605733082237 0.12500000000000 32.065 > 25 63 S 0.66666666666667 0.93605733082237 0.12500000000000 32.065 > 25 64 S 0.00000000000000 0.93605733082237 0.62500000000000 32.065 > 25 65 S 0.33333333333333 0.93605733082237 0.62500000000000 32.065 > 25 66 S 0.66666666666667 0.93605733082237 0.62500000000000 32.065 > 25 67 S 0.16666666666667 0.87949232272125 0.47410241481134 32.065 > 31 68 S 0.50000000000000 0.87949232272125 0.47410241481134 32.065 > 31 69 S 0.83333333333333 0.87949232272125 0.47410241481134 32.065 > 31 70 S 0.16666666666667 0.87949232272125 0.97410241481134 32.065 > 31 71 S 0.50000000000000 0.87949232272125 0.97410241481134 32.065 > 31 72 S 0.83333333333333 0.87949232272125 0.97410241481134 32.065 > 31 73 K 0.00000000000000 0.25419052414732 0.12500000000000 39.098 > 73 74 K 0.33333333333333 0.25419052414732 0.12500000000000 39.098 > 73 75 K 0.66666666666667 0.25419052414732 0.12500000000000 39.098 > 73 76 K 0.00000000000000 0.25419052414732 0.62500000000000 39.098 > 73 77 K 0.33333333333333 0.25419052414732 0.62500000000000 39.098 > 73 78 K 0.66666666666667 0.25419052414732 0.62500000000000 39.098 > 73 79 K 0.16666666666667 0.24580947585268 0.37500000000000 39.098 > 79 80 K 0.50000000000000 0.24580947585268 0.37500000000000 39.098 > 79 81 K 0.83333333333333 0.24580947585268 0.37500000000000 39.098 > 79 82 K 0.16666666666667 0.24580947585268 0.87500000000000 39.098 > 79 83 K 0.50000000000000 0.24580947585268 0.87500000000000 39.098 > 79 84 K 0.83333333333333 0.24580947585268 0.87500000000000 39.098 > 79 85 K 0.16666666666667 0.75419052414732 0.12500000000000 39.098 > 73 86 K 0.50000000000000 0.75419052414732 0.12500000000000 39.098 > 73 87 K 0.83333333333333 0.75419052414732 0.12500000000000 39.098 > 73 88 K 0.16666666666667 0.75419052414732 0.62500000000000 39.098 > 73 89 K 0.50000000000000 0.75419052414732 0.62500000000000 39.098 > 73 90 K 0.83333333333333 0.75419052414732 0.62500000000000 39.098 > 73 91 K 0.00000000000000 0.74580947585268 0.37500000000000 39.098 > 79 92 K 0.33333333333333 0.74580947585268 0.37500000000000 39.098 > 79 93 K 0.66666666666667 0.74580947585268 0.37500000000000 39.098 > 79 94 K 0.00000000000000 0.74580947585268 0.87500000000000 39.098 > 79 95 K 0.33333333333333 0.74580947585268 0.87500000000000 39.098 > 79 96 K 0.66666666666667 0.74580947585268 0.87500000000000 39.098 > 79 97 Cu 0.16666666666667 0.03381504062612 0.12500000000000 63.546 > 97 98 Cu 0.50000000000000 0.03381504062612 0.12500000000000 63.546 > 97 99 Cu 0.83333333333333 0.03381504062612 0.12500000000000 63.546 > 97 100 Cu 0.16666666666667 0.03381504062612 0.62500000000000 63.546 > 97 101 Cu 0.50000000000000 0.03381504062612 0.62500000000000 63.546 > 97 102 Cu 0.83333333333333 0.03381504062612 0.62500000000000 63.546 > 97 103 Cu 0.00000000000000 0.46618495937388 0.37500000000000 63.546 > 103 104 Cu 0.33333333333333 0.46618495937388 0.37500000000000 63.546 > 103 105 Cu 0.66666666666667 0.46618495937388 0.37500000000000 63.546 > 103 106 Cu 0.00000000000000 0.46618495937388 0.87500000000000 63.546 > 103 107 Cu 0.33333333333333 0.46618495937388 0.87500000000000 63.546 > 103 108 Cu 0.66666666666667 0.46618495937388 0.87500000000000 63.546 > 103 109 Cu 0.00000000000000 0.53381504062612 0.12500000000000 63.546 > 97 110 Cu 0.33333333333333 0.53381504062612 0.12500000000000 63.546 > 97 111 Cu 0.66666666666667 0.53381504062612 0.12500000000000 63.546 > 97 112 Cu 0.00000000000000 0.53381504062612 0.62500000000000 63.546 > 97 113 Cu 0.33333333333333 0.53381504062612 0.62500000000000 63.546 > 97 114 Cu 0.66666666666667 0.53381504062612 0.62500000000000 63.546 > 97 115 Cu 0.16666666666667 0.96618495937388 0.37500000000000 63.546 > 103 116 Cu 0.50000000000000 0.96618495937388 0.37500000000000 63.546 > 103 117 Cu 0.83333333333333 0.96618495937388 0.37500000000000 63.546 > 103 118 Cu 0.16666666666667 0.96618495937388 0.87500000000000 63.546 > 103 119 Cu 0.50000000000000 0.96618495937388 0.87500000000000 63.546 > 103 120 Cu 0.83333333333333 0.96618495937388 0.87500000000000 63.546 > 103 121 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 121 122 Hf 0.33333333333333 0.00000000000000 0.00000000000000 178.490 > 121 123 Hf 0.66666666666667 0.00000000000000 0.00000000000000 178.490 > 121 124 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 121 125 Hf 0.33333333333333 0.00000000000000 0.50000000000000 178.490 > 121 126 Hf 0.66666666666667 0.00000000000000 0.50000000000000 178.490 > 121 127 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 127 128 Hf 0.33333333333333 0.00000000000000 0.25000000000000 178.490 > 127 129 Hf 0.66666666666667 0.00000000000000 0.25000000000000 178.490 > 127 130 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 127 131 Hf 0.33333333333333 0.00000000000000 0.75000000000000 178.490 > 127 132 Hf 0.66666666666667 0.00000000000000 0.75000000000000 178.490 > 127 133 Hf 0.16666666666667 0.50000000000000 0.00000000000000 178.490 > 121 134 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 121 135 Hf 0.83333333333333 0.50000000000000 0.00000000000000 178.490 > 121 136 Hf 0.16666666666667 0.50000000000000 0.50000000000000 178.490 > 121 137 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 121 138 Hf 0.83333333333333 0.50000000000000 0.50000000000000 178.490 > 121 139 Hf 0.16666666666667 0.50000000000000 0.25000000000000 178.490 > 127 140 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 127 141 Hf 0.83333333333333 0.50000000000000 0.25000000000000 178.490 > 127 142 Hf 0.16666666666667 0.50000000000000 0.75000000000000 178.490 > 127 143 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 127 144 Hf 0.83333333333333 0.50000000000000 0.75000000000000 178.490 > 127----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 12.2442182 0.0000000 0.0000000 0.0000000 4.6635062 0.0000000 0.0000000 0.0000000 9.8299067-------------------------- Born effective charges -------------------------- 1 S -4.7096689 0.0000000 0.0000000 0.0000000 -1.5669554 0.1695497 0.0000000 0.1904379 -1.7696920 2 S -4.7096689 0.0000000 0.0000000 0.0000000 -1.5669554 0.1695497 0.0000000 0.1904379 -1.7696920 3 S -4.7096689 0.0000000 0.0000000 0.0000000 -1.5669554 -0.1695497 0.0000000 -0.1904379 -1.7696920 4 S -0.8744836 0.0000000 0.0000000 0.0000000 -0.9092612 0.0000000 0.0000000 0.0000000 -5.2142368 5 S -0.8744836 0.0000000 0.0000000 0.0000000 -0.9092612 0.0000000 0.0000000 0.0000000 -5.2142368 6 S -4.7096689 0.0000000 0.0000000 0.0000000 -1.5669554 -0.1695497 0.0000000 -0.1904379 -1.7696920 7 K 1.1218535 0.0000000 0.0000000 0.0000000 1.9282323 0.0000000 0.0000000 0.0000000 1.2756387 8 K 1.1218535 0.0000000 0.0000000 0.0000000 1.9282323 0.0000000 0.0000000 0.0000000 1.2756387 9 Cu 0.3640889 0.0000000 0.0000000 0.0000000 0.1156365 0.0000000 0.0000000 0.0000000 -0.3385120 10 Cu 0.3640889 0.0000000 0.0000000 0.0000000 0.1156365 0.0000000 0.0000000 0.0000000 -0.3385120 11 Hf 8.8078789 0.0000000 0.0000000 0.0000000 1.9993032 0.2548498 0.0000000 -0.3036730 7.8164941 12 Hf 8.8078789 0.0000000 0.0000000 0.0000000 1.9993032 -0.2548498 0.0000000 0.3036730 7.8164941----------------------------------------------------------------------------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[ 19, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 121, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 23:35:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:35:56]-------------------------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 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.841724505000000 -7.029635935000000 0.000000000000000 b 1.841724505000000 7.029635935000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.619689320000001Atomic positions (fractional): 1 S 0.62050767727875 0.37949232272125 0.55179517037732 32.065 2 S 0.37949232272125 0.62050767727875 0.44820482962268 32.065 3 S 0.37949232272125 0.62050767727875 0.05179517037732 32.065 4 S 0.93605733082237 0.06394266917763 0.75000000000000 32.065 5 S 0.06394266917763 0.93605733082237 0.25000000000000 32.065 6 S 0.62050767727875 0.37949232272125 0.94820482962268 32.065 7 K 0.74580947585268 0.25419052414732 0.25000000000000 39.098 8 K 0.25419052414732 0.74580947585268 0.75000000000000 39.098 9 Cu 0.46618495937388 0.53381504062612 0.25000000000000 63.546 10 Cu 0.53381504062612 0.46618495937388 0.75000000000000 63.546 11 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 12 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490-------------------------------- supercell ---------------------------------Lattice vectors: a 11.050347029999998 0.000000000000000 0.000000000000000 b 0.000000000000000 14.059271870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 19.239378640000002Atomic positions (fractional): 1 S 0.00000000000000 0.37949232272125 0.27589758518866 32.065 > 1 2 S 0.33333333333333 0.37949232272125 0.27589758518866 32.065 > 1 3 S 0.66666666666667 0.37949232272125 0.27589758518866 32.065 > 1 4 S 0.00000000000000 0.37949232272125 0.77589758518866 32.065 > 1 5 S 0.33333333333333 0.37949232272125 0.77589758518866 32.065 > 1 6 S 0.66666666666667 0.37949232272125 0.77589758518866 32.065 > 1 7 S 0.16666666666667 0.12050767727875 0.22410241481134 32.065 > 7 8 S 0.50000000000000 0.12050767727875 0.22410241481134 32.065 > 7 9 S 0.83333333333333 0.12050767727875 0.22410241481134 32.065 > 7 10 S 0.16666666666667 0.12050767727875 0.72410241481134 32.065 > 7 11 S 0.50000000000000 0.12050767727875 0.72410241481134 32.065 > 7 12 S 0.83333333333333 0.12050767727875 0.72410241481134 32.065 > 7 13 S 0.16666666666667 0.12050767727875 0.02589758518866 32.065 > 13 14 S 0.50000000000000 0.12050767727875 0.02589758518866 32.065 > 13 15 S 0.83333333333333 0.12050767727875 0.02589758518866 32.065 > 13 16 S 0.16666666666667 0.12050767727875 0.52589758518866 32.065 > 13 17 S 0.50000000000000 0.12050767727875 0.52589758518866 32.065 > 13 18 S 0.83333333333333 0.12050767727875 0.52589758518866 32.065 > 13 19 S 0.00000000000000 0.06394266917763 0.37500000000000 32.065 > 19 20 S 0.33333333333333 0.06394266917763 0.37500000000000 32.065 > 19 21 S 0.66666666666667 0.06394266917763 0.37500000000000 32.065 > 19 22 S 0.00000000000000 0.06394266917763 0.87500000000000 32.065 > 19 23 S 0.33333333333333 0.06394266917763 0.87500000000000 32.065 > 19 24 S 0.66666666666667 0.06394266917763 0.87500000000000 32.065 > 19 25 S 0.16666666666667 0.43605733082237 0.12500000000000 32.065 > 25 26 S 0.50000000000000 0.43605733082237 0.12500000000000 32.065 > 25 27 S 0.83333333333333 0.43605733082237 0.12500000000000 32.065 > 25 28 S 0.16666666666667 0.43605733082237 0.62500000000000 32.065 > 25 29 S 0.50000000000000 0.43605733082237 0.62500000000000 32.065 > 25 30 S 0.83333333333333 0.43605733082237 0.62500000000000 32.065 > 25 31 S 0.00000000000000 0.37949232272125 0.47410241481134 32.065 > 31 32 S 0.33333333333333 0.37949232272125 0.47410241481134 32.065 > 31 33 S 0.66666666666667 0.37949232272125 0.47410241481134 32.065 > 31 34 S 0.00000000000000 0.37949232272125 0.97410241481134 32.065 > 31 35 S 0.33333333333333 0.37949232272125 0.97410241481134 32.065 > 31 36 S 0.66666666666667 0.37949232272125 0.97410241481134 32.065 > 31 37 S 0.16666666666667 0.87949232272125 0.27589758518866 32.065 > 1 38 S 0.50000000000000 0.87949232272125 0.27589758518866 32.065 > 1 39 S 0.83333333333333 0.87949232272125 0.27589758518866 32.065 > 1 40 S 0.16666666666667 0.87949232272125 0.77589758518866 32.065 > 1 41 S 0.50000000000000 0.87949232272125 0.77589758518866 32.065 > 1 42 S 0.83333333333333 0.87949232272125 0.77589758518866 32.065 > 1 43 S 0.00000000000000 0.62050767727875 0.22410241481134 32.065 > 7 44 S 0.33333333333333 0.62050767727875 0.22410241481134 32.065 > 7 45 S 0.66666666666667 0.62050767727875 0.22410241481134 32.065 > 7 46 S 0.00000000000000 0.62050767727875 0.72410241481134 32.065 > 7 47 S 0.33333333333333 0.62050767727875 0.72410241481134 32.065 > 7 48 S 0.66666666666667 0.62050767727875 0.72410241481134 32.065 > 7 49 S 0.00000000000000 0.62050767727875 0.02589758518866 32.065 > 13 50 S 0.33333333333333 0.62050767727875 0.02589758518866 32.065 > 13 51 S 0.66666666666667 0.62050767727875 0.02589758518866 32.065 > 13 52 S 0.00000000000000 0.62050767727875 0.52589758518866 32.065 > 13 53 S 0.33333333333333 0.62050767727875 0.52589758518866 32.065 > 13 54 S 0.66666666666667 0.62050767727875 0.52589758518866 32.065 > 13 55 S 0.16666666666667 0.56394266917763 0.37500000000000 32.065 > 19 56 S 0.50000000000000 0.56394266917763 0.37500000000000 32.065 > 19 57 S 0.83333333333333 0.56394266917763 0.37500000000000 32.065 > 19 58 S 0.16666666666667 0.56394266917763 0.87500000000000 32.065 > 19 59 S 0.50000000000000 0.56394266917763 0.87500000000000 32.065 > 19 60 S 0.83333333333333 0.56394266917763 0.87500000000000 32.065 > 19 61 S 0.00000000000000 0.93605733082237 0.12500000000000 32.065 > 25 62 S 0.33333333333333 0.93605733082237 0.12500000000000 32.065 > 25 63 S 0.66666666666667 0.93605733082237 0.12500000000000 32.065 > 25 64 S 0.00000000000000 0.93605733082237 0.62500000000000 32.065 > 25 65 S 0.33333333333333 0.93605733082237 0.62500000000000 32.065 > 25 66 S 0.66666666666667 0.93605733082237 0.62500000000000 32.065 > 25 67 S 0.16666666666667 0.87949232272125 0.47410241481134 32.065 > 31 68 S 0.50000000000000 0.87949232272125 0.47410241481134 32.065 > 31 69 S 0.83333333333333 0.87949232272125 0.47410241481134 32.065 > 31 70 S 0.16666666666667 0.87949232272125 0.97410241481134 32.065 > 31 71 S 0.50000000000000 0.87949232272125 0.97410241481134 32.065 > 31 72 S 0.83333333333333 0.87949232272125 0.97410241481134 32.065 > 31 73 K 0.00000000000000 0.25419052414732 0.12500000000000 39.098 > 73 74 K 0.33333333333333 0.25419052414732 0.12500000000000 39.098 > 73 75 K 0.66666666666667 0.25419052414732 0.12500000000000 39.098 > 73 76 K 0.00000000000000 0.25419052414732 0.62500000000000 39.098 > 73 77 K 0.33333333333333 0.25419052414732 0.62500000000000 39.098 > 73 78 K 0.66666666666667 0.25419052414732 0.62500000000000 39.098 > 73 79 K 0.16666666666667 0.24580947585268 0.37500000000000 39.098 > 79 80 K 0.50000000000000 0.24580947585268 0.37500000000000 39.098 > 79 81 K 0.83333333333333 0.24580947585268 0.37500000000000 39.098 > 79 82 K 0.16666666666667 0.24580947585268 0.87500000000000 39.098 > 79 83 K 0.50000000000000 0.24580947585268 0.87500000000000 39.098 > 79 84 K 0.83333333333333 0.24580947585268 0.87500000000000 39.098 > 79 85 K 0.16666666666667 0.75419052414732 0.12500000000000 39.098 > 73 86 K 0.50000000000000 0.75419052414732 0.12500000000000 39.098 > 73 87 K 0.83333333333333 0.75419052414732 0.12500000000000 39.098 > 73 88 K 0.16666666666667 0.75419052414732 0.62500000000000 39.098 > 73 89 K 0.50000000000000 0.75419052414732 0.62500000000000 39.098 > 73 90 K 0.83333333333333 0.75419052414732 0.62500000000000 39.098 > 73 91 K 0.00000000000000 0.74580947585268 0.37500000000000 39.098 > 79 92 K 0.33333333333333 0.74580947585268 0.37500000000000 39.098 > 79 93 K 0.66666666666667 0.74580947585268 0.37500000000000 39.098 > 79 94 K 0.00000000000000 0.74580947585268 0.87500000000000 39.098 > 79 95 K 0.33333333333333 0.74580947585268 0.87500000000000 39.098 > 79 96 K 0.66666666666667 0.74580947585268 0.87500000000000 39.098 > 79 97 Cu 0.16666666666667 0.03381504062612 0.12500000000000 63.546 > 97 98 Cu 0.50000000000000 0.03381504062612 0.12500000000000 63.546 > 97 99 Cu 0.83333333333333 0.03381504062612 0.12500000000000 63.546 > 97 100 Cu 0.16666666666667 0.03381504062612 0.62500000000000 63.546 > 97 101 Cu 0.50000000000000 0.03381504062612 0.62500000000000 63.546 > 97 102 Cu 0.83333333333333 0.03381504062612 0.62500000000000 63.546 > 97 103 Cu 0.00000000000000 0.46618495937388 0.37500000000000 63.546 > 103 104 Cu 0.33333333333333 0.46618495937388 0.37500000000000 63.546 > 103 105 Cu 0.66666666666667 0.46618495937388 0.37500000000000 63.546 > 103 106 Cu 0.00000000000000 0.46618495937388 0.87500000000000 63.546 > 103 107 Cu 0.33333333333333 0.46618495937388 0.87500000000000 63.546 > 103 108 Cu 0.66666666666667 0.46618495937388 0.87500000000000 63.546 > 103 109 Cu 0.00000000000000 0.53381504062612 0.12500000000000 63.546 > 97 110 Cu 0.33333333333333 0.53381504062612 0.12500000000000 63.546 > 97 111 Cu 0.66666666666667 0.53381504062612 0.12500000000000 63.546 > 97 112 Cu 0.00000000000000 0.53381504062612 0.62500000000000 63.546 > 97 113 Cu 0.33333333333333 0.53381504062612 0.62500000000000 63.546 > 97 114 Cu 0.66666666666667 0.53381504062612 0.62500000000000 63.546 > 97 115 Cu 0.16666666666667 0.96618495937388 0.37500000000000 63.546 > 103 116 Cu 0.50000000000000 0.96618495937388 0.37500000000000 63.546 > 103 117 Cu 0.83333333333333 0.96618495937388 0.37500000000000 63.546 > 103 118 Cu 0.16666666666667 0.96618495937388 0.87500000000000 63.546 > 103 119 Cu 0.50000000000000 0.96618495937388 0.87500000000000 63.546 > 103 120 Cu 0.83333333333333 0.96618495937388 0.87500000000000 63.546 > 103 121 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 121 122 Hf 0.33333333333333 0.00000000000000 0.00000000000000 178.490 > 121 123 Hf 0.66666666666667 0.00000000000000 0.00000000000000 178.490 > 121 124 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 121 125 Hf 0.33333333333333 0.00000000000000 0.50000000000000 178.490 > 121 126 Hf 0.66666666666667 0.00000000000000 0.50000000000000 178.490 > 121 127 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 127 128 Hf 0.33333333333333 0.00000000000000 0.25000000000000 178.490 > 127 129 Hf 0.66666666666667 0.00000000000000 0.25000000000000 178.490 > 127 130 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 127 131 Hf 0.33333333333333 0.00000000000000 0.75000000000000 178.490 > 127 132 Hf 0.66666666666667 0.00000000000000 0.75000000000000 178.490 > 127 133 Hf 0.16666666666667 0.50000000000000 0.00000000000000 178.490 > 121 134 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 121 135 Hf 0.83333333333333 0.50000000000000 0.00000000000000 178.490 > 121 136 Hf 0.16666666666667 0.50000000000000 0.50000000000000 178.490 > 121 137 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 121 138 Hf 0.83333333333333 0.50000000000000 0.50000000000000 178.490 > 121 139 Hf 0.16666666666667 0.50000000000000 0.25000000000000 178.490 > 127 140 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 127 141 Hf 0.83333333333333 0.50000000000000 0.25000000000000 178.490 > 127 142 Hf 0.16666666666667 0.50000000000000 0.75000000000000 178.490 > 127 143 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 127 144 Hf 0.83333333333333 0.50000000000000 0.75000000000000 178.490 > 127----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 12.2442182 0.0000000 0.0000000 0.0000000 4.6635062 0.0000000 0.0000000 0.0000000 9.8299067-------------------------- Born effective charges -------------------------- 1 S -4.7096689 0.0000000 0.0000000 0.0000000 -1.5669554 0.1695497 0.0000000 0.1904379 -1.7696920 2 S -4.7096689 0.0000000 0.0000000 0.0000000 -1.5669554 0.1695497 0.0000000 0.1904379 -1.7696920 3 S -4.7096689 0.0000000 0.0000000 0.0000000 -1.5669554 -0.1695497 0.0000000 -0.1904379 -1.7696920 4 S -0.8744836 0.0000000 0.0000000 0.0000000 -0.9092612 0.0000000 0.0000000 0.0000000 -5.2142368 5 S -0.8744836 0.0000000 0.0000000 0.0000000 -0.9092612 0.0000000 0.0000000 0.0000000 -5.2142368 6 S -4.7096689 0.0000000 0.0000000 0.0000000 -1.5669554 -0.1695497 0.0000000 -0.1904379 -1.7696920 7 K 1.1218535 0.0000000 0.0000000 0.0000000 1.9282323 0.0000000 0.0000000 0.0000000 1.2756387 8 K 1.1218535 0.0000000 0.0000000 0.0000000 1.9282323 0.0000000 0.0000000 0.0000000 1.2756387 9 Cu 0.3640889 0.0000000 0.0000000 0.0000000 0.1156365 0.0000000 0.0000000 0.0000000 -0.3385120 10 Cu 0.3640889 0.0000000 0.0000000 0.0000000 0.1156365 0.0000000 0.0000000 0.0000000 -0.3385120 11 Hf 8.8078789 0.0000000 0.0000000 0.0000000 1.9993032 0.2548498 0.0000000 -0.3036730 7.8164941 12 Hf 8.8078789 0.0000000 0.0000000 0.0000000 1.9993032 -0.2548498 0.0000000 0.3036730 7.8164941----------------------------------------------------------------------------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 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 5 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 307, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/171) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 7.053 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 0.000) 0.000 8.208 ( 0.000 0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 8.547 ( 0.000 0.000 0.000) 0.000 8.685 ( 0.000 0.000 0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000 9.869 ( 0.000 0.000 0.000) 0.000 10.311 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/171) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.447 ( 22.283 -6.144 0.000) 23.115 0.489 ( 23.807 -2.293 0.000) 23.917 1.024 ( 48.778 -4.066 0.000) 48.947 1.679 ( 4.345 -0.854 0.000) 4.428 1.766 ( 15.706 0.063 0.000) 15.707 2.312 ( 16.480 1.261 0.000) 16.528 2.418 ( 6.874 -0.754 0.000) 6.915 2.469 ( 2.222 -0.456 0.000) 2.268 2.550 ( 2.644 2.595 0.000) 3.704 2.916 ( -0.658 5.047 0.000) 5.090 3.027 ( -0.186 -5.285 0.000) 5.289 3.104 ( 6.030 1.355 0.000) 6.181 3.112 ( 2.373 0.264 0.000) 2.388 3.332 ( 2.570 1.351 0.000) 2.903 3.585 ( -2.733 -0.239 0.000) 2.743 3.792 ( -2.653 2.137 0.000) 3.407 4.002 ( -4.409 -0.873 0.000) 4.494 4.135 ( -3.081 -2.519 0.000) 3.979 4.542 ( 39.049 -0.321 0.000) 39.050 6.280 ( -2.465 -0.036 0.000) 2.465 7.116 ( 5.748 0.056 0.000) 5.748 7.120 ( 2.386 1.009 0.000) 2.590 7.518 ( -1.535 -1.049 0.000) 1.859 7.773 ( -2.397 -0.118 0.000) 2.400 7.782 ( 1.110 11.829 0.000) 11.881 7.866 ( 3.294 11.572 0.000) 12.032 8.231 ( 5.174 2.359 0.000) 5.687 8.241 ( 3.386 -0.337 0.000) 3.403 8.387 ( 8.671 24.864 0.000) 26.333 8.625 ( -2.927 -8.834 0.000) 9.307 8.669 ( -1.223 -5.171 0.000) 5.314 9.146 ( -3.509 -14.616 0.000) 15.032 9.345 ( -0.395 1.271 0.000) 1.331 9.470 ( -1.323 -1.254 0.000) 1.823 9.825 ( -4.415 -0.074 0.000) 4.415 10.282 ( -2.845 0.019 0.000) 2.845======================= Grid point 2 (3/171) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( 23.910 -3.042 0.000) 24.102 0.929 ( 20.100 -1.631 0.000) 20.166 1.797 ( 6.914 -1.542 0.000) 7.084 1.881 ( 36.527 -3.063 0.000) 36.656 2.087 ( 14.674 1.653 0.000) 14.767 2.533 ( 6.072 1.424 0.000) 6.237 2.592 ( 8.856 -1.860 0.000) 9.049 2.598 ( 3.546 2.169 0.000) 4.157 2.722 ( 23.760 1.511 0.000) 23.808 2.894 ( 0.735 2.803 0.000) 2.898 3.064 ( -3.148 2.114 0.000) 3.792 3.070 ( 3.630 -2.414 0.000) 4.359 3.311 ( 12.432 1.487 0.000) 12.521 3.428 ( 7.123 0.071 0.000) 7.123 3.515 ( -4.681 -0.540 0.000) 4.712 3.721 ( -2.808 2.080 0.000) 3.494 3.912 ( -4.989 -1.727 0.000) 5.280 4.088 ( -2.740 -3.665 0.000) 4.576 5.471 ( 52.602 -0.256 0.000) 52.603 6.242 ( -0.896 -0.015 0.000) 0.896 7.132 ( -1.367 0.542 0.000) 1.470 7.233 ( 5.382 0.036 0.000) 5.382 7.492 ( -1.607 -1.635 0.000) 2.292 7.708 ( -4.289 -0.208 0.000) 4.295 7.750 ( 1.120 8.644 0.000) 8.716 7.853 ( -1.915 -0.449 0.000) 1.967 8.300 ( 4.620 2.299 0.000) 5.160 8.363 ( 5.475 0.643 0.000) 5.513 8.457 ( 8.306 12.533 0.000) 15.035 8.577 ( -1.247 0.166 0.000) 1.258 8.711 ( 1.621 -3.700 0.000) 4.039 9.163 ( -0.799 -9.156 0.000) 9.191 9.327 ( -0.434 2.274 0.000) 2.315 9.441 ( -2.593 -2.177 0.000) 3.385 9.713 ( -6.665 0.058 0.000) 6.666 10.213 ( -3.873 0.069 0.000) 3.873======================= Grid point 3 (4/171) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 14.342 -0.801 0.000) 14.365 1.376 ( 21.132 0.206 0.000) 21.133 1.947 ( 7.232 -1.748 0.000) 7.440 2.239 ( 3.388 5.744 0.000) 6.669 2.431 ( 18.732 0.177 0.000) 18.733 2.635 ( -2.838 -5.950 0.000) 6.592 2.690 ( 11.415 2.334 0.000) 11.651 2.751 ( 6.071 -1.473 0.000) 6.247 2.930 ( 5.256 2.843 0.000) 5.976 2.935 ( -2.459 5.605 0.000) 6.120 3.189 ( 16.232 -1.159 0.000) 16.274 3.230 ( 12.494 1.560 0.000) 12.591 3.415 ( -5.585 -0.638 0.000) 5.621 3.545 ( 7.990 1.420 0.000) 8.115 3.596 ( 14.480 -0.698 0.000) 14.497 3.698 ( 1.255 -1.191 0.000) 1.730 3.848 ( -2.322 -4.176 0.000) 4.778 4.088 ( 1.638 -2.307 0.000) 2.830 6.258 ( 2.790 -0.011 0.000) 2.790 6.469 ( 48.152 -0.130 0.000) 48.152 7.057 ( -6.032 -0.054 0.000) 6.032 7.303 ( 1.842 0.054 0.000) 1.843 7.478 ( -0.876 -1.440 0.000) 1.686 7.615 ( -5.204 -0.223 0.000) 5.209 7.719 ( -2.246 3.452 0.000) 4.118 7.815 ( -0.804 -0.302 0.000) 0.859 8.339 ( -5.628 -0.226 0.000) 5.632 8.387 ( 4.664 1.135 0.000) 4.800 8.559 ( 5.275 5.219 0.000) 7.421 8.655 ( 6.092 -0.497 0.000) 6.112 8.786 ( 8.460 3.939 0.000) 9.332 9.210 ( 1.761 -5.638 0.000) 5.906 9.304 ( -0.849 2.705 0.000) 2.835 9.394 ( -3.358 -2.380 0.000) 4.116 9.580 ( -6.690 0.357 0.000) 6.700 10.149 ( -2.285 0.108 0.000) 2.287======================= Grid point 4 (5/171) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 9.027 -0.217 0.000) 9.029 1.702 ( 12.305 3.110 0.000) 12.692 2.077 ( 5.067 -0.837 0.000) 5.135 2.219 ( -1.690 5.319 0.000) 5.581 2.525 ( -10.864 -7.260 0.000) 13.066 2.651 ( 6.788 3.128 0.000) 7.474 2.807 ( -0.995 -2.443 0.000) 2.638 2.869 ( 0.781 6.125 0.000) 6.175 2.919 ( 11.445 5.021 0.000) 12.498 3.059 ( 8.215 1.760 0.000) 8.401 3.298 ( -5.775 -1.224 0.000) 5.903 3.396 ( 5.889 -1.452 0.000) 6.065 3.503 ( 14.305 2.939 0.000) 14.604 3.634 ( 4.218 1.187 0.000) 4.382 3.730 ( -0.336 -5.440 0.000) 5.450 3.886 ( 2.907 -8.147 0.000) 8.650 3.977 ( 19.228 -0.087 0.000) 19.228 4.180 ( 7.641 0.506 0.000) 7.657 6.348 ( 6.440 -0.169 0.000) 6.442 6.907 ( -9.426 -0.129 0.000) 9.427 7.289 ( 31.229 0.286 0.000) 31.231 7.325 ( 4.204 0.140 0.000) 4.207 7.454 ( -2.497 -0.950 0.000) 2.671 7.522 ( -3.149 -0.123 0.000) 3.152 7.633 ( -4.463 0.471 0.000) 4.488 7.840 ( 2.960 1.199 0.000) 3.193 8.224 ( -5.704 -0.466 0.000) 5.724 8.450 ( 1.390 -1.069 0.000) 1.753 8.564 ( -2.101 0.406 0.000) 2.139 8.782 ( 8.278 4.222 0.000) 9.292 8.991 ( 12.234 2.570 0.000) 12.501 9.262 ( -2.309 1.615 0.000) 2.818 9.290 ( 4.287 -2.399 0.000) 4.913 9.340 ( -3.012 -1.012 0.000) 3.178 9.458 ( -5.448 0.519 0.000) 5.473 10.134 ( 0.872 0.075 0.000) 0.875======================= Grid point 5 (6/171) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 5.224 0.014 0.000) 5.224 1.786 ( -1.833 4.441 0.000) 4.805 2.110 ( -7.475 1.794 0.000) 7.687 2.152 ( 1.777 0.400 0.000) 1.822 2.352 ( -8.093 -4.623 0.000) 9.320 2.692 ( 0.346 4.357 0.000) 4.371 2.784 ( -0.956 -1.066 0.000) 1.432 2.885 ( 3.091 5.637 0.000) 6.429 3.099 ( 9.849 3.766 0.000) 10.545 3.182 ( -0.780 -0.147 0.000) 0.793 3.221 ( 3.072 -0.000 0.000) 3.072 3.496 ( 4.326 -1.460 0.000) 4.566 3.700 ( 2.305 -0.042 0.000) 2.305 3.733 ( 10.257 2.261 0.000) 10.504 3.749 ( -0.787 -6.406 0.000) 6.454 3.969 ( 0.925 -8.484 0.000) 8.535 4.234 ( 8.738 4.195 0.000) 9.693 4.413 ( 14.005 -1.742 0.000) 14.112 6.499 ( 8.662 -0.238 0.000) 8.666 6.704 ( -10.750 0.508 0.000) 10.762 7.324 ( -0.391 0.667 0.000) 0.773 7.384 ( -4.002 -0.348 0.000) 4.017 7.419 ( -3.562 0.066 0.000) 3.562 7.566 ( -2.109 0.133 0.000) 2.113 7.903 ( 3.974 1.157 0.000) 4.139 7.903 ( 23.805 -0.046 0.000) 23.805 8.134 ( -3.834 -1.022 0.000) 3.968 8.436 ( -3.084 -1.000 0.000) 3.243 8.532 ( -0.556 -0.243 0.000) 0.606 8.914 ( 6.835 3.879 0.000) 7.859 9.191 ( 8.779 0.890 0.000) 8.824 9.204 ( -2.978 -0.008 0.000) 2.978 9.289 ( -2.326 0.667 0.000) 2.420 9.359 ( -1.765 0.444 0.000) 1.820 9.403 ( 3.655 -0.847 0.000) 3.752 10.174 ( 2.953 0.016 0.000) 2.953======================= Grid point 6 (7/171) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.639 ( -8.625 3.324 0.000) 9.243 1.703 ( 1.881 0.025 0.000) 1.881 1.920 ( -9.179 -0.780 0.000) 9.212 2.171 ( 0.506 1.161 0.000) 1.266 2.279 ( -1.949 -1.891 0.000) 2.716 2.662 ( -0.854 3.122 0.000) 3.237 2.788 ( 0.836 0.075 0.000) 0.840 2.912 ( 1.693 3.149 0.000) 3.575 3.123 ( -2.642 -0.526 0.000) 2.694 3.261 ( 7.512 0.935 0.000) 7.570 3.318 ( 3.946 0.281 0.000) 3.956 3.580 ( 4.182 2.166 0.000) 4.710 3.714 ( -1.482 -3.644 0.000) 3.934 3.758 ( -0.963 -3.210 0.000) 3.351 3.871 ( 4.981 1.217 0.000) 5.128 4.009 ( -0.102 -4.790 0.000) 4.791 4.342 ( 4.562 2.927 0.000) 5.421 4.639 ( 7.840 -1.186 0.000) 7.929 6.517 ( -7.322 0.770 0.000) 7.362 6.665 ( 7.537 -0.148 0.000) 7.539 7.257 ( -5.151 -0.267 0.000) 5.158 7.349 ( -0.596 0.661 0.000) 0.890 7.370 ( -1.035 0.154 0.000) 1.047 7.545 ( -0.388 0.010 0.000) 0.388 7.971 ( 3.504 1.428 0.000) 3.784 8.082 ( -2.473 -1.621 0.000) 2.957 8.248 ( 11.795 -0.021 0.000) 11.795 8.380 ( -2.403 -0.149 0.000) 2.408 8.531 ( -0.070 -0.672 0.000) 0.675 8.990 ( 2.607 2.425 0.000) 3.561 9.156 ( -1.964 -0.490 0.000) 2.024 9.247 ( -1.433 0.902 0.000) 1.693 9.311 ( 3.758 0.323 0.000) 3.772 9.335 ( 0.226 -0.089 0.000) 0.242 9.485 ( 3.268 -0.234 0.000) 3.276 10.231 ( 2.408 -0.011 0.000) 2.408======================= Grid point 7 (8/171) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.527 ( 0.000 -0.000 0.000) 0.000 1.713 ( 0.000 -0.000 0.000) 0.000 1.831 ( -0.000 -0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 -0.000 0.000) 0.000 2.644 ( 0.000 -0.000 0.000) 0.000 2.799 ( 0.000 -0.000 0.000) 0.000 2.918 ( 0.000 -0.000 0.000) 0.000 3.098 ( 0.000 -0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 -0.000 0.000) 0.000 3.618 ( -0.000 -0.000 0.000) 0.000 3.703 ( 0.000 -0.000 0.000) 0.000 3.752 ( 0.000 -0.000 0.000) 0.000 3.916 ( 0.000 -0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 -0.000 0.000) 0.000 4.719 ( -0.000 -0.000 0.000) 0.000 6.440 ( 0.000 -0.000 0.000) 0.000 6.750 ( -0.000 0.000 0.000) 0.000 7.195 ( 0.000 -0.000 0.000) 0.000 7.337 ( 0.000 -0.000 0.000) 0.000 7.365 ( 0.000 -0.000 0.000) 0.000 7.542 ( 0.000 -0.000 0.000) 0.000 8.009 ( 0.000 0.000 0.000) 0.000 8.056 ( -0.000 -0.000 0.000) 0.000 8.356 ( 0.000 -0.000 0.000) 0.000 8.362 ( 0.000 -0.000 0.000) 0.000 8.533 ( 0.000 -0.000 0.000) 0.000 9.005 ( -0.000 -0.000 0.000) 0.000 9.138 ( 0.000 -0.000 0.000) 0.000 9.230 ( 0.000 -0.000 0.000) 0.000 9.340 ( 0.000 -0.000 0.000) 0.000 9.348 ( 0.000 -0.000 0.000) 0.000 9.518 ( 0.000 -0.000 0.000) 0.000 10.256 ( 0.000 -0.000 0.000) 0.000======================= Grid point 16 (9/171) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( 25.211 -0.000 0.000) 25.211 0.921 ( 20.514 -0.000 0.000) 20.514 1.789 ( 6.963 -0.000 0.000) 6.963 1.865 ( 37.381 -0.000 0.000) 37.381 2.096 ( 15.451 -0.000 0.000) 15.451 2.542 ( 5.817 -0.000 0.000) 5.817 2.580 ( 9.081 -0.000 0.000) 9.081 2.609 ( 1.846 -0.000 0.000) 1.846 2.730 ( 24.520 -0.000 0.000) 24.520 2.909 ( -0.300 0.000 0.000) 0.300 3.056 ( 5.370 -0.000 0.000) 5.370 3.075 ( -3.647 0.000 0.000) 3.647 3.319 ( 12.605 -0.000 0.000) 12.605 3.428 ( 6.589 -0.000 0.000) 6.589 3.512 ( -4.695 0.000 0.000) 4.695 3.733 ( -3.522 0.000 0.000) 3.522 3.902 ( -5.108 0.000 0.000) 5.108 4.068 ( -2.348 0.000 0.000) 2.348 5.470 ( 52.685 -0.000 0.000) 52.685 6.242 ( -0.898 0.000 0.000) 0.898 7.135 ( -1.615 0.000 0.000) 1.615 7.234 ( 5.372 -0.000 0.000) 5.372 7.483 ( -1.459 0.000 0.000) 1.459 7.707 ( -4.281 0.000 0.000) 4.281 7.795 ( 0.080 -0.000 0.000) 0.080 7.849 ( -4.038 0.000 0.000) 4.038 8.309 ( 4.380 -0.000 0.000) 4.380 8.365 ( 5.110 -0.000 0.000) 5.110 8.540 ( 0.648 -0.000 0.000) 0.648 8.593 ( 1.550 -0.000 0.000) 1.550 8.669 ( 5.537 -0.000 0.000) 5.537 9.110 ( 1.034 -0.000 0.000) 1.034 9.341 ( -0.334 0.000 0.000) 0.334 9.428 ( -2.665 0.000 0.000) 2.665 9.713 ( -6.609 0.000 0.000) 6.609 10.213 ( -3.866 0.000 0.000) 3.866======================= Grid point 17 (10/171) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.265 ( 14.701 -0.297 0.000) 14.705 1.378 ( 22.306 0.189 0.000) 22.306 1.935 ( 7.510 -0.616 0.000) 7.536 2.286 ( 4.437 2.777 0.000) 5.234 2.430 ( 19.983 -0.158 0.000) 19.984 2.588 ( -5.056 -2.801 0.000) 5.780 2.708 ( 11.970 1.209 0.000) 12.031 2.736 ( 6.056 -1.104 0.000) 6.156 2.950 ( 5.009 1.010 0.000) 5.110 2.983 ( -3.916 2.956 0.000) 4.907 3.176 ( 17.711 -1.006 0.000) 17.739 3.241 ( 12.858 0.513 0.000) 12.868 3.411 ( -5.298 -0.224 0.000) 5.303 3.556 ( 6.245 0.556 0.000) 6.270 3.595 ( 16.383 0.195 0.000) 16.384 3.689 ( -0.157 -0.455 0.000) 0.482 3.814 ( -4.168 -2.020 0.000) 4.631 4.072 ( 3.012 -0.787 0.000) 3.113 6.258 ( 2.682 -0.002 0.000) 2.682 6.468 ( 48.292 -0.049 0.000) 48.292 7.057 ( -6.174 -0.014 0.000) 6.174 7.303 ( 1.867 0.009 0.000) 1.867 7.468 ( -0.533 -0.501 0.000) 0.731 7.614 ( -5.170 -0.082 0.000) 5.171 7.745 ( -5.314 1.517 0.000) 5.526 7.811 ( 1.004 -0.414 0.000) 1.087 8.338 ( -5.714 -0.092 0.000) 5.715 8.393 ( 3.868 0.210 0.000) 3.873 8.597 ( 0.318 2.078 0.000) 2.102 8.650 ( 8.361 -0.398 0.000) 8.370 8.823 ( 9.777 2.438 0.000) 10.077 9.164 ( 3.565 -2.800 0.000) 4.533 9.329 ( -0.642 2.036 0.000) 2.135 9.371 ( -3.492 -1.920 0.000) 3.985 9.582 ( -6.624 0.121 0.000) 6.625 10.149 ( -2.294 0.038 0.000) 2.294======================= Grid point 18 (11/171) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 9.206 -0.126 0.000) 9.207 1.728 ( 13.060 1.844 0.000) 13.189 2.070 ( 5.717 -0.486 0.000) 5.738 2.276 ( -2.302 5.680 0.000) 6.128 2.452 ( -10.615 -6.680 0.000) 12.542 2.675 ( 7.621 1.582 0.000) 7.784 2.782 ( -1.494 -2.008 0.000) 2.502 2.926 ( 1.129 4.454 0.000) 4.594 2.962 ( 12.093 3.093 0.000) 12.483 3.074 ( 7.661 1.143 0.000) 7.745 3.287 ( -5.667 -0.814 0.000) 5.726 3.386 ( 5.595 -0.546 0.000) 5.621 3.526 ( 13.912 1.560 0.000) 13.999 3.643 ( 3.085 -0.317 0.000) 3.101 3.696 ( -0.146 0.145 0.000) 0.206 3.804 ( 1.539 -7.722 0.000) 7.874 3.976 ( 20.338 -0.037 0.000) 20.338 4.185 ( 7.893 0.347 0.000) 7.900 6.347 ( 6.399 -0.095 0.000) 6.400 6.906 ( -9.281 -0.070 0.000) 9.281 7.292 ( 33.755 0.234 0.000) 33.756 7.325 ( 1.997 -0.013 0.000) 1.997 7.446 ( -2.359 -0.503 0.000) 2.412 7.521 ( -3.071 -0.074 0.000) 3.072 7.637 ( -4.819 0.318 0.000) 4.829 7.849 ( 2.882 0.590 0.000) 2.942 8.220 ( -5.784 -0.204 0.000) 5.787 8.442 ( 0.821 -0.628 0.000) 1.034 8.567 ( -2.278 0.213 0.000) 2.288 8.814 ( 8.386 2.017 0.000) 8.625 9.017 ( 10.972 2.280 0.000) 11.206 9.267 ( 5.603 -1.834 0.000) 5.896 9.277 ( -3.446 1.253 0.000) 3.667 9.330 ( -1.834 -0.920 0.000) 2.052 9.462 ( -5.538 0.262 0.000) 5.544 10.134 ( 0.842 0.042 0.000) 0.843======================= Grid point 19 (12/171) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 5.275 0.015 0.000) 5.275 1.824 ( -2.072 3.024 0.000) 3.665 2.129 ( -10.529 1.874 0.000) 10.694 2.156 ( 2.816 0.357 0.000) 2.839 2.308 ( -5.701 -3.859 0.000) 6.884 2.726 ( -0.067 2.155 0.000) 2.156 2.778 ( 0.779 -0.012 0.000) 0.779 2.935 ( 1.657 4.147 0.000) 4.466 3.141 ( 8.513 4.103 0.000) 9.450 3.181 ( -3.096 -0.094 0.000) 3.098 3.221 ( 5.224 -0.008 0.000) 5.224 3.486 ( 5.570 -0.482 0.000) 5.591 3.664 ( -1.539 -6.257 0.000) 6.443 3.726 ( 2.523 1.679 0.000) 3.030 3.752 ( 9.738 1.510 0.000) 9.855 3.885 ( 1.854 -7.858 0.000) 8.074 4.278 ( 9.860 4.347 0.000) 10.776 4.390 ( 13.168 -2.662 0.000) 13.434 6.497 ( 8.675 -0.168 0.000) 8.677 6.708 ( -10.490 0.309 0.000) 10.494 7.330 ( -0.719 0.460 0.000) 0.854 7.381 ( -3.492 -0.217 0.000) 3.498 7.419 ( -3.481 0.036 0.000) 3.482 7.568 ( -2.189 0.124 0.000) 2.192 7.902 ( 23.870 -0.042 0.000) 23.870 7.912 ( 3.907 0.736 0.000) 3.975 8.126 ( -4.054 -0.582 0.000) 4.096 8.426 ( -2.542 -0.846 0.000) 2.679 8.531 ( -0.963 -0.006 0.000) 0.963 8.947 ( 6.177 2.529 0.000) 6.674 9.200 ( 8.196 0.829 0.000) 8.237 9.204 ( -3.450 0.008 0.000) 3.450 9.294 ( -1.935 0.446 0.000) 1.986 9.364 ( -1.627 0.566 0.000) 1.723 9.393 ( 3.820 -0.991 0.000) 3.947 10.175 ( 2.931 0.013 0.000) 2.931======================= Grid point 20 (13/171) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( -9.677 2.734 0.000) 10.056 1.704 ( 1.833 0.023 0.000) 1.833 1.913 ( -9.143 -0.560 0.000) 9.160 2.184 ( 0.376 1.411 0.000) 1.460 2.259 ( -1.184 -2.041 0.000) 2.360 2.697 ( -1.347 3.712 0.000) 3.949 2.789 ( 0.664 0.120 0.000) 0.675 2.937 ( -0.142 1.760 0.000) 1.766 3.118 ( -2.404 -0.408 0.000) 2.439 3.269 ( 5.877 0.597 0.000) 5.907 3.320 ( 3.784 0.217 0.000) 3.790 3.607 ( 6.518 2.891 0.000) 7.131 3.664 ( -1.366 -5.151 0.000) 5.329 3.742 ( -0.419 -0.660 0.000) 0.782 3.883 ( 4.401 0.957 0.000) 4.504 3.951 ( 1.414 -5.999 0.000) 6.163 4.385 ( 4.382 4.986 0.000) 6.639 4.620 ( 7.917 -2.583 0.000) 8.327 6.524 ( -7.527 0.518 0.000) 7.545 6.664 ( 7.614 -0.124 0.000) 7.615 7.254 ( -5.161 -0.205 0.000) 5.165 7.355 ( -0.823 0.659 0.000) 1.054 7.371 ( -0.950 -0.004 0.000) 0.950 7.545 ( -0.391 0.066 0.000) 0.397 7.984 ( 3.620 1.144 0.000) 3.797 8.067 ( -2.587 -1.229 0.000) 2.864 8.248 ( 11.805 -0.022 0.000) 11.805 8.377 ( -2.254 -0.305 0.000) 2.275 8.526 ( 0.089 -0.374 0.000) 0.385 9.012 ( 1.585 1.856 0.000) 2.441 9.152 ( -1.894 -0.327 0.000) 1.922 9.255 ( -1.687 0.653 0.000) 1.809 9.314 ( 3.673 0.280 0.000) 3.683 9.334 ( 0.013 -0.028 0.000) 0.031 9.482 ( 3.459 -0.224 0.000) 3.467 10.230 ( 2.408 -0.005 0.000) 2.408======================= Grid point 21 (14/171) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.530 ( -1.855 0.438 0.000) 1.906 1.713 ( 0.082 0.007 0.000) 0.082 1.832 ( 0.595 0.212 0.000) 0.632 2.171 ( -0.758 0.113 0.000) 0.766 2.267 ( 0.906 -0.329 0.000) 0.964 2.654 ( -1.234 1.962 0.000) 2.318 2.796 ( -0.316 -0.679 0.000) 0.749 2.913 ( -1.917 -0.988 0.000) 2.156 3.098 ( 0.300 0.044 0.000) 0.303 3.334 ( -0.475 -1.530 0.000) 1.603 3.356 ( -0.136 -0.015 0.000) 0.137 3.613 ( -2.812 -0.322 0.000) 2.830 3.715 ( 2.611 1.071 0.000) 2.822 3.757 ( 3.095 1.428 0.000) 3.409 3.916 ( -0.631 0.003 0.000) 0.631 4.001 ( 1.301 -3.343 0.000) 3.587 4.402 ( -0.273 4.024 0.000) 4.033 4.710 ( 0.169 -1.731 0.000) 1.740 6.439 ( -0.559 -0.137 0.000) 0.575 6.750 ( 0.066 0.004 0.000) 0.067 7.195 ( 0.176 -0.064 0.000) 0.187 7.339 ( -0.199 0.251 0.000) 0.320 7.364 ( -0.317 -0.186 0.000) 0.367 7.543 ( 0.032 0.086 0.000) 0.092 8.005 ( -1.895 -0.714 0.000) 2.025 8.061 ( 2.077 0.782 0.000) 2.219 8.355 ( -0.031 -0.179 0.000) 0.182 8.362 ( 0.010 -0.003 0.000) 0.011 8.533 ( 0.473 0.101 0.000) 0.484 9.005 ( -1.370 -0.073 0.000) 1.372 9.138 ( 0.354 0.007 0.000) 0.355 9.229 ( -0.578 -0.013 0.000) 0.578 9.339 ( -0.147 -0.039 0.000) 0.152 9.349 ( 0.144 0.112 0.000) 0.183 9.518 ( 0.086 -0.011 0.000) 0.087 10.256 ( 0.011 0.005 0.000) 0.012======================= Grid point 22 (15/171) =======================q-point: (-0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 7.207 -3.163 0.000) 7.870 1.703 ( -1.923 -0.020 0.000) 1.923 1.928 ( 9.084 0.875 0.000) 9.126 2.160 ( -0.661 -0.918 0.000) 1.132 2.297 ( 2.966 1.583 0.000) 3.362 2.637 ( -0.421 -1.605 0.000) 1.659 2.785 ( -0.745 -0.663 0.000) 0.997 2.876 ( -3.199 -3.635 0.000) 4.842 3.128 ( 2.887 0.546 0.000) 2.938 3.250 ( -8.274 -1.350 0.000) 8.384 3.315 ( -4.125 -0.293 0.000) 4.135 3.567 ( -2.168 -0.225 0.000) 2.180 3.732 ( -0.260 0.432 0.000) 0.505 3.808 ( 3.151 5.628 0.000) 6.450 3.859 ( -5.655 -1.245 0.000) 5.791 4.038 ( 1.738 0.618 0.000) 1.845 4.335 ( -5.005 1.750 0.000) 5.302 4.643 ( -7.637 -0.491 0.000) 7.653 6.508 ( 7.108 -0.911 0.000) 7.166 6.666 ( -7.455 0.141 0.000) 7.457 7.259 ( 5.194 0.275 0.000) 5.201 7.342 ( 0.236 -0.553 0.000) 0.601 7.368 ( 1.191 -0.256 0.000) 1.218 7.545 ( 0.372 0.070 0.000) 0.378 7.956 ( -3.452 -1.425 0.000) 3.735 8.099 ( 2.445 1.721 0.000) 2.990 8.248 ( -11.786 0.015 0.000) 11.786 8.380 ( 2.499 -0.114 0.000) 2.502 8.539 ( 0.367 0.918 0.000) 0.989 8.965 ( -3.790 -2.557 0.000) 4.572 9.162 ( 2.109 0.638 0.000) 2.203 9.237 ( 1.083 -1.055 0.000) 1.513 9.307 ( -3.825 -0.304 0.000) 3.837 9.336 ( -0.461 0.141 0.000) 0.482 9.487 ( -3.108 0.189 0.000) 3.114 10.231 ( -2.410 0.015 0.000) 2.410======================= Grid point 23 (16/171) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( -5.165 -0.005 0.000) 5.165 1.737 ( 1.633 -5.027 0.000) 5.286 2.094 ( 5.439 -1.362 0.000) 5.607 2.148 ( -1.062 -0.425 0.000) 1.144 2.399 ( 9.933 4.604 0.000) 10.948 2.644 ( -1.093 -4.881 0.000) 5.002 2.792 ( 1.098 -0.752 0.000) 1.331 2.829 ( -3.026 -3.902 0.000) 4.937 3.066 ( -10.922 -2.708 0.000) 11.253 3.184 ( -2.005 0.179 0.000) 2.013 3.221 ( -0.470 -0.017 0.000) 0.471 3.515 ( -3.005 2.275 0.000) 3.769 3.698 ( -3.012 -0.104 0.000) 3.014 3.707 ( -10.961 -2.632 0.000) 11.273 3.817 ( 1.138 6.543 0.000) 6.641 4.049 ( 0.500 6.364 0.000) 6.384 4.199 ( -8.764 -2.080 0.000) 9.007 4.425 ( -14.297 0.664 0.000) 14.313 6.502 ( -8.645 0.256 0.000) 8.649 6.698 ( 11.113 -0.649 0.000) 11.132 7.317 ( 0.078 -0.733 0.000) 0.738 7.388 ( 4.556 0.431 0.000) 4.577 7.418 ( 3.653 -0.099 0.000) 3.655 7.565 ( 2.020 -0.082 0.000) 2.021 7.890 ( -3.986 -1.395 0.000) 4.223 7.903 ( -23.830 0.038 0.000) 23.830 8.147 ( 3.566 1.353 0.000) 3.814 8.445 ( 3.837 0.687 0.000) 3.898 8.537 ( -0.001 0.777 0.000) 0.777 8.870 ( -7.791 -4.608 0.000) 9.052 9.183 ( -9.213 -0.715 0.000) 9.240 9.204 ( 2.301 0.043 0.000) 2.302 9.281 ( 2.901 -0.780 0.000) 3.004 9.355 ( 1.956 -0.357 0.000) 1.988 9.410 ( -3.671 0.591 0.000) 3.719 10.174 ( -2.980 -0.015 0.000) 2.980======================= Grid point 24 (17/171) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( -8.787 0.256 0.000) 8.791 1.668 ( -10.970 -3.518 0.000) 11.520 2.085 ( -4.079 0.784 0.000) 4.154 2.171 ( 0.584 -3.896 0.000) 3.940 2.596 ( 11.424 6.725 0.000) 13.257 2.609 ( -6.123 -5.089 0.000) 7.962 2.789 ( -2.562 -6.436 0.000) 6.928 2.844 ( 0.738 0.679 0.000) 1.003 2.873 ( -8.896 -2.642 0.000) 9.280 3.041 ( -8.970 -1.654 0.000) 9.122 3.310 ( 5.974 1.133 0.000) 6.080 3.415 ( -6.668 2.223 0.000) 7.029 3.468 ( -14.960 -3.908 0.000) 15.463 3.627 ( -3.959 -0.206 0.000) 3.965 3.790 ( -0.803 5.959 0.000) 6.013 3.965 ( -5.631 7.263 0.000) 9.190 3.978 ( -16.757 0.147 0.000) 16.757 4.176 ( -6.957 -0.265 0.000) 6.962 6.350 ( -6.498 0.205 0.000) 6.502 6.908 ( 9.665 0.170 0.000) 9.667 7.287 ( -28.924 -0.180 0.000) 28.924 7.322 ( -6.119 -0.382 0.000) 6.131 7.465 ( 2.773 1.247 0.000) 3.040 7.523 ( 3.255 0.127 0.000) 3.257 7.629 ( 4.081 -0.371 0.000) 4.098 7.824 ( -3.203 -1.771 0.000) 3.660 8.230 ( 5.537 0.732 0.000) 5.585 8.462 ( -2.517 1.207 0.000) 2.791 8.559 ( 1.740 -0.544 0.000) 1.823 8.730 ( -8.173 -5.787 0.000) 10.014 8.968 ( -12.982 -1.760 0.000) 13.100 9.246 ( 1.461 -1.594 0.000) 2.163 9.314 ( -2.970 2.203 0.000) 3.698 9.349 ( 3.920 0.840 0.000) 4.009 9.452 ( 5.324 -0.753 0.000) 5.377 10.133 ( -0.916 -0.093 0.000) 0.920======================= Grid point 25 (18/171) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( -13.735 1.075 0.000) 13.777 1.377 ( -18.815 0.553 0.000) 18.823 1.969 ( -6.719 2.460 0.000) 7.155 2.179 ( -2.808 -5.676 0.000) 6.332 2.422 ( -16.828 -1.962 0.000) 16.942 2.662 ( -10.358 -3.002 0.000) 10.784 2.700 ( 0.076 6.508 0.000) 6.508 2.756 ( -5.092 -1.268 0.000) 5.248 2.889 ( 0.949 -2.458 0.000) 2.635 2.894 ( -5.927 -4.192 0.000) 7.260 3.197 ( -15.818 0.468 0.000) 15.825 3.209 ( -11.264 -2.534 0.000) 11.546 3.423 ( 5.832 0.915 0.000) 5.904 3.533 ( -9.537 -0.704 0.000) 9.563 3.609 ( -13.297 1.720 0.000) 13.407 3.709 ( -4.345 0.816 0.000) 4.421 3.893 ( 1.013 4.440 0.000) 4.554 4.118 ( 0.309 3.405 0.000) 3.419 6.258 ( -2.939 0.030 0.000) 2.939 6.471 ( -47.948 0.169 0.000) 47.948 7.058 ( 5.785 0.125 0.000) 5.787 7.302 ( -1.780 -0.133 0.000) 1.785 7.496 ( 1.483 2.166 0.000) 2.625 7.618 ( 5.263 0.293 0.000) 5.271 7.679 ( -1.686 -4.367 0.000) 4.681 7.815 ( 2.274 -0.395 0.000) 2.308 8.340 ( 3.793 -0.424 0.000) 3.817 8.364 ( -6.175 -3.449 0.000) 7.073 8.503 ( -8.234 -4.825 0.000) 9.544 8.660 ( -4.570 0.391 0.000) 4.587 8.752 ( -6.413 -2.724 0.000) 6.967 9.269 ( 0.418 5.621 0.000) 5.636 9.276 ( 0.659 -2.596 0.000) 2.679 9.417 ( 3.681 2.129 0.000) 4.252 9.575 ( 6.819 -0.572 0.000) 6.843 10.147 ( 2.266 -0.158 0.000) 2.272======================= Grid point 26 (19/171) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( -19.010 2.747 0.000) 19.208 0.970 ( -20.376 6.252 0.000) 21.314 1.820 ( -6.788 2.785 0.000) 7.337 1.920 ( -34.117 4.211 0.000) 34.376 2.064 ( -12.707 -2.678 0.000) 12.986 2.517 ( -6.153 -1.609 0.000) 6.360 2.568 ( -7.695 -3.507 0.000) 8.456 2.614 ( -8.597 2.348 0.000) 8.912 2.701 ( -21.970 -2.407 0.000) 22.102 2.856 ( -2.158 -4.619 0.000) 5.098 3.035 ( 1.685 -3.332 0.000) 3.734 3.100 ( -0.639 3.375 0.000) 3.435 3.292 ( -12.207 -1.941 0.000) 12.361 3.426 ( -8.565 -0.269 0.000) 8.570 3.522 ( 4.649 0.880 0.000) 4.732 3.695 ( 1.679 -2.716 0.000) 3.193 3.932 ( 4.109 2.078 0.000) 4.605 4.137 ( 3.753 5.844 0.000) 6.945 5.475 ( -52.371 0.472 0.000) 52.373 6.242 ( 0.892 0.006 0.000) 0.892 7.124 ( 0.411 -1.178 0.000) 1.247 7.233 ( -5.404 -0.071 0.000) 5.404 7.516 ( 2.010 2.966 0.000) 3.583 7.621 ( -9.603 -16.623 0.000) 19.197 7.711 ( 4.315 0.357 0.000) 4.329 7.857 ( 0.420 0.315 0.000) 0.525 8.233 ( -7.832 -10.730 0.000) 13.284 8.346 ( -6.977 -1.864 0.000) 7.222 8.382 ( -5.872 -1.757 0.000) 6.129 8.580 ( 1.982 0.578 0.000) 2.065 8.733 ( -0.046 1.001 0.000) 1.002 9.268 ( 3.680 10.394 0.000) 11.026 9.301 ( 0.462 -2.849 0.000) 2.887 9.467 ( 2.644 2.683 0.000) 3.766 9.712 ( 6.841 -0.105 0.000) 6.842 10.212 ( 3.890 -0.132 0.000) 3.892======================= Grid point 27 (20/171) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.532 ( -21.423 5.776 0.000) 22.188 0.557 ( -16.155 14.443 0.000) 21.670 1.100 ( -44.764 10.306 0.000) 45.935 1.695 ( -4.300 2.390 0.000) 4.920 1.765 ( -15.398 -0.118 0.000) 15.399 2.290 ( -16.458 -2.653 0.000) 16.670 2.430 ( -6.279 1.537 0.000) 6.464 2.478 ( -2.962 1.236 0.000) 3.209 2.500 ( -2.946 -6.865 0.000) 7.471 2.855 ( -0.625 -6.290 0.000) 6.321 3.085 ( -3.447 -2.372 0.000) 4.185 3.091 ( 1.353 6.546 0.000) 6.684 3.100 ( -4.494 -1.984 0.000) 4.912 3.306 ( -3.965 -3.672 0.000) 5.404 3.590 ( 2.677 0.638 0.000) 2.752 3.759 ( 2.358 -3.844 0.000) 4.510 4.012 ( 4.306 0.676 0.000) 4.359 4.182 ( 3.513 6.523 0.000) 7.409 4.548 ( -38.846 0.904 0.000) 38.857 6.280 ( 2.516 0.092 0.000) 2.517 7.081 ( -8.864 -11.005 0.000) 14.131 7.115 ( -5.805 -0.156 0.000) 5.807 7.386 ( -39.075 -48.922 0.000) 62.612 7.539 ( 1.677 2.938 0.000) 3.383 7.776 ( 2.402 0.323 0.000) 2.424 7.830 ( -1.969 -0.199 0.000) 1.979 8.169 ( -4.221 -7.528 0.000) 8.630 8.244 ( -3.115 0.195 0.000) 3.121 8.270 ( -5.526 -2.130 0.000) 5.922 8.651 ( 3.762 0.967 0.000) 3.884 8.716 ( -0.347 2.093 0.000) 2.122 9.324 ( 0.407 -2.685 0.000) 2.716 9.326 ( 10.868 16.419 0.000) 19.690 9.492 ( 1.329 2.649 0.000) 2.964 9.826 ( 4.563 0.315 0.000) 4.574 10.282 ( 2.861 -0.059 0.000) 2.861======================= Grid point 28 (21/171) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.159 ( 0.000 15.266 0.000) 15.266 0.218 ( 0.000 21.072 0.000) 21.072 0.329 ( 0.000 31.982 0.000) 31.982 1.594 ( 0.000 0.093 0.000) 0.093 1.641 ( 0.000 1.756 0.000) 1.756 2.045 ( -0.000 -0.059 0.000) 0.059 2.348 ( 0.000 0.894 0.000) 0.894 2.454 ( 0.000 0.875 0.000) 0.875 2.503 ( -0.000 -5.057 0.000) 5.057 2.887 ( -0.000 -7.353 0.000) 7.353 2.940 ( 0.000 0.372 0.000) 0.372 3.070 ( 0.000 7.504 0.000) 7.504 3.096 ( -0.000 -1.358 0.000) 1.358 3.300 ( -0.000 -4.238 0.000) 4.238 3.615 ( 0.000 0.365 0.000) 0.365 3.807 ( -0.000 -3.167 0.000) 3.167 4.132 ( 0.000 0.878 0.000) 0.878 4.185 ( 0.000 5.813 0.000) 5.813 4.193 ( -0.000 -0.052 0.000) 0.052 4.790 ( -0.000 -1.988 0.000) 1.988 6.310 ( 0.000 0.139 0.000) 0.139 7.052 ( -0.000 -0.188 0.000) 0.188 7.089 ( -0.000 -0.439 0.000) 0.439 7.543 ( 0.000 2.183 0.000) 2.183 7.798 ( 0.000 0.232 0.000) 0.232 7.811 ( 0.000 0.281 0.000) 0.281 8.151 ( -0.000 -2.617 0.000) 2.617 8.209 ( 0.000 0.127 0.000) 0.127 8.214 ( 0.000 0.200 0.000) 0.200 8.688 ( 0.000 0.547 0.000) 0.547 8.715 ( -0.000 -0.244 0.000) 0.244 9.340 ( -0.000 -2.172 0.000) 2.172 9.492 ( 0.000 2.158 0.000) 2.158 9.604 ( -0.000 -0.165 0.000) 0.165 9.873 ( 0.000 0.635 0.000) 0.635 10.311 ( -0.000 -0.021 0.000) 0.021======================= Grid point 31 (22/171) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 9.272 -0.000 0.000) 9.272 1.737 ( 13.297 -0.000 0.000) 13.297 2.067 ( 5.942 -0.000 0.000) 5.942 2.315 ( -1.239 0.000 0.000) 1.239 2.408 ( -11.810 0.000 0.000) 11.810 2.683 ( 8.138 -0.000 0.000) 8.138 2.771 ( -1.724 0.000 0.000) 1.724 2.951 ( 0.558 -0.000 0.000) 0.558 2.978 ( 12.952 -0.000 0.000) 12.952 3.080 ( 7.475 -0.000 0.000) 7.475 3.283 ( -5.649 0.000 0.000) 5.649 3.384 ( 5.704 -0.000 0.000) 5.704 3.534 ( 13.785 -0.000 0.000) 13.785 3.636 ( 0.868 -0.000 0.000) 0.868 3.725 ( 3.301 -0.000 0.000) 3.301 3.742 ( -0.720 0.000 0.000) 0.720 3.976 ( 20.677 -0.000 0.000) 20.677 4.187 ( 7.953 -0.000 0.000) 7.953 6.346 ( 6.384 -0.000 0.000) 6.384 6.905 ( -9.233 0.000 0.000) 9.233 7.293 ( 35.051 -0.000 0.000) 35.051 7.325 ( 0.824 -0.000 0.000) 0.824 7.444 ( -2.318 0.000 0.000) 2.318 7.521 ( -3.042 0.000 0.000) 3.042 7.639 ( -4.961 0.000 0.000) 4.961 7.852 ( 2.869 -0.000 0.000) 2.869 8.219 ( -5.805 0.000 0.000) 5.805 8.438 ( 0.645 -0.000 0.000) 0.645 8.568 ( -2.331 0.000 0.000) 2.331 8.824 ( 8.483 -0.000 0.000) 8.483 9.030 ( 10.252 -0.000 0.000) 10.252 9.257 ( 6.243 -0.000 0.000) 6.243 9.284 ( -4.326 0.000 0.000) 4.326 9.324 ( -0.940 0.000 0.000) 0.940 9.463 ( -5.570 0.000 0.000) 5.570 10.135 ( 0.831 -0.000 0.000) 0.831======================= Grid point 32 (23/171) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 5.305 0.006 0.000) 5.305 1.845 ( -2.245 1.069 0.000) 2.487 2.144 ( -13.345 0.825 0.000) 13.370 2.159 ( 3.305 0.323 0.000) 3.321 2.278 ( -3.179 -1.718 0.000) 3.614 2.738 ( -0.407 0.337 0.000) 0.528 2.782 ( 2.275 0.359 0.000) 2.304 2.965 ( 0.562 1.584 0.000) 1.681 3.174 ( 7.689 1.960 0.000) 7.935 3.180 ( -4.411 -0.032 0.000) 4.411 3.221 ( 6.440 -0.004 0.000) 6.440 3.486 ( 6.201 0.254 0.000) 6.206 3.611 ( -1.836 -3.300 0.000) 3.777 3.755 ( 1.929 3.740 0.000) 4.208 3.763 ( 9.465 0.529 0.000) 9.480 3.814 ( 2.957 -5.811 0.000) 6.520 4.321 ( 11.701 3.955 0.000) 12.351 4.359 ( 11.564 -3.372 0.000) 12.046 6.496 ( 8.682 -0.061 0.000) 8.682 6.710 ( -10.356 0.102 0.000) 10.357 7.333 ( -0.947 0.163 0.000) 0.961 7.380 ( -3.165 -0.072 0.000) 3.166 7.419 ( -3.437 0.011 0.000) 3.437 7.569 ( -2.235 0.051 0.000) 2.235 7.902 ( 23.884 -0.017 0.000) 23.884 7.917 ( 3.897 0.247 0.000) 3.905 8.123 ( -4.176 -0.180 0.000) 4.180 8.420 ( -2.281 -0.326 0.000) 2.305 8.532 ( -1.150 0.020 0.000) 1.150 8.964 ( 5.868 0.868 0.000) 5.932 9.204 ( -3.692 0.005 0.000) 3.692 9.206 ( 7.723 0.354 0.000) 7.731 9.297 ( -1.739 0.156 0.000) 1.746 9.370 ( -2.564 0.552 0.000) 2.622 9.384 ( 5.025 -0.742 0.000) 5.079 10.175 ( 2.919 0.005 0.000) 2.919======================= Grid point 33 (24/171) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( -10.281 1.527 0.000) 10.393 1.704 ( 1.793 0.014 0.000) 1.793 1.909 ( -9.052 -0.286 0.000) 9.056 2.200 ( 0.350 1.657 0.000) 1.694 2.238 ( -0.793 -2.024 0.000) 2.174 2.731 ( -0.591 2.641 0.000) 2.707 2.791 ( -0.288 0.180 0.000) 0.340 2.948 ( -1.665 0.622 0.000) 1.777 3.115 ( -2.231 -0.221 0.000) 2.242 3.273 ( 3.730 0.157 0.000) 3.734 3.322 ( 3.673 0.117 0.000) 3.675 3.621 ( 1.408 -2.939 0.000) 3.259 3.633 ( 8.098 1.836 0.000) 8.304 3.740 ( -2.118 0.327 0.000) 2.143 3.890 ( 4.015 0.524 0.000) 4.049 3.896 ( 2.639 -4.456 0.000) 5.178 4.435 ( 4.432 4.481 0.000) 6.302 4.590 ( 7.990 -3.002 0.000) 8.536 6.527 ( -7.676 0.250 0.000) 7.680 6.663 ( 7.670 -0.071 0.000) 7.670 7.253 ( -5.189 -0.110 0.000) 5.190 7.362 ( -0.954 0.557 0.000) 1.105 7.370 ( -0.899 -0.193 0.000) 0.920 7.546 ( -0.387 0.058 0.000) 0.391 7.993 ( 3.774 0.627 0.000) 3.825 8.057 ( -2.749 -0.648 0.000) 2.825 8.248 ( 11.814 -0.014 0.000) 11.814 8.374 ( -2.121 -0.237 0.000) 2.134 8.523 ( 0.150 -0.150 0.000) 0.212 9.027 ( 0.898 0.995 0.000) 1.341 9.149 ( -1.865 -0.163 0.000) 1.872 9.260 ( -1.844 0.342 0.000) 1.875 9.316 ( 3.590 0.164 0.000) 3.594 9.334 ( -0.137 0.005 0.000) 0.137 9.481 ( 3.626 -0.140 0.000) 3.629 10.230 ( 2.408 -0.002 0.000) 2.408======================= Grid point 34 (25/171) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -3.305 0.543 0.000) 3.350 1.713 ( 0.145 0.008 0.000) 0.145 1.835 ( 1.081 0.267 0.000) 1.114 2.173 ( -1.460 0.156 0.000) 1.469 2.263 ( 1.720 -0.429 0.000) 1.773 2.682 ( -2.200 3.456 0.000) 4.097 2.784 ( -1.015 -1.799 0.000) 2.065 2.901 ( -3.187 -1.258 0.000) 3.426 3.099 ( 0.541 0.054 0.000) 0.544 3.314 ( -0.782 -2.130 0.000) 2.269 3.356 ( -0.247 -0.019 0.000) 0.248 3.621 ( -2.295 1.795 0.000) 2.914 3.709 ( 0.881 -1.847 0.000) 2.047 3.785 ( 6.810 3.442 0.000) 7.630 3.916 ( -1.136 0.004 0.000) 1.136 3.961 ( 1.969 -4.169 0.000) 4.611 4.452 ( -0.213 5.270 0.000) 5.274 4.686 ( 0.280 -2.893 0.000) 2.906 6.438 ( -1.008 -0.171 0.000) 1.023 6.750 ( 0.120 0.005 0.000) 0.120 7.194 ( 0.309 -0.078 0.000) 0.319 7.342 ( -0.290 0.393 0.000) 0.488 7.361 ( -0.631 -0.313 0.000) 0.704 7.544 ( 0.058 0.107 0.000) 0.122 7.997 ( -2.639 -0.689 0.000) 2.727 8.069 ( 2.972 0.776 0.000) 3.072 8.352 ( -0.060 -0.224 0.000) 0.232 8.362 ( 0.019 -0.003 0.000) 0.019 8.535 ( 0.853 0.124 0.000) 0.862 9.004 ( -2.466 -0.091 0.000) 2.467 9.138 ( 0.641 0.008 0.000) 0.641 9.229 ( -1.043 -0.016 0.000) 1.044 9.339 ( -0.247 -0.040 0.000) 0.250 9.350 ( 0.239 0.131 0.000) 0.273 9.518 ( 0.154 -0.013 0.000) 0.155 10.256 ( 0.020 0.006 0.000) 0.020======================= Grid point 35 (26/171) =======================q-point: (-0.57 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 5.705 -2.374 0.000) 6.179 1.703 ( -1.951 -0.013 0.000) 1.951 1.937 ( 8.877 0.776 0.000) 8.911 2.152 ( -0.804 -0.659 0.000) 1.039 2.311 ( 4.031 1.140 0.000) 4.189 2.630 ( -2.030 0.209 0.000) 2.041 2.769 ( -1.581 -2.844 0.000) 3.253 2.846 ( -3.017 -1.856 0.000) 3.542 3.133 ( 3.089 0.453 0.000) 3.122 3.235 ( -8.277 -1.554 0.000) 8.421 3.312 ( -4.285 -0.245 0.000) 4.292 3.575 ( -0.970 1.624 0.000) 1.892 3.730 ( -0.272 -0.543 0.000) 0.607 3.847 ( -6.294 -1.020 0.000) 6.376 3.862 ( 3.466 4.996 0.000) 6.080 4.024 ( 2.630 -2.934 0.000) 3.940 4.374 ( -4.975 5.328 0.000) 7.290 4.630 ( -7.349 -2.085 0.000) 7.639 6.499 ( 6.928 -0.834 0.000) 6.978 6.668 ( -7.386 0.108 0.000) 7.387 7.262 ( 5.299 0.222 0.000) 5.304 7.338 ( -0.233 -0.367 0.000) 0.435 7.365 ( 1.415 -0.272 0.000) 1.441 7.546 ( 0.345 0.114 0.000) 0.364 7.943 ( -3.443 -1.143 0.000) 3.627 8.115 ( 2.477 1.466 0.000) 2.878 8.249 ( -11.781 0.008 0.000) 11.781 8.378 ( 2.526 -0.285 0.000) 2.542 8.549 ( 0.766 0.927 0.000) 1.202 8.940 ( -4.920 -2.160 0.000) 5.373 9.169 ( 2.397 0.725 0.000) 2.504 9.226 ( 0.613 -1.065 0.000) 1.228 9.305 ( -3.869 -0.237 0.000) 3.876 9.337 ( -0.679 0.148 0.000) 0.695 9.489 ( -3.001 0.121 0.000) 3.003 10.231 ( -2.412 0.015 0.000) 2.412======================= Grid point 36 (27/171) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( -5.110 0.004 0.000) 5.110 1.687 ( 1.490 -4.616 0.000) 4.851 2.083 ( 4.108 -0.900 0.000) 4.205 2.143 ( -0.517 -0.382 0.000) 0.642 2.443 ( 11.302 3.944 0.000) 11.970 2.598 ( -2.523 -3.976 0.000) 4.708 2.749 ( -3.107 -5.640 0.000) 6.439 2.828 ( 1.794 1.526 0.000) 2.355 3.043 ( -11.456 -1.901 0.000) 11.613 3.186 ( -4.643 0.178 0.000) 4.647 3.221 ( 2.011 -0.035 0.000) 2.011 3.541 ( -2.155 2.775 0.000) 3.513 3.681 ( -11.739 -2.498 0.000) 12.002 3.697 ( -3.006 -0.014 0.000) 3.006 3.878 ( 1.079 5.430 0.000) 5.536 4.077 ( 1.208 -0.984 0.000) 1.558 4.211 ( -8.814 4.658 0.000) 9.969 4.426 ( -14.054 -0.563 0.000) 14.065 6.504 ( -8.626 0.224 0.000) 8.629 6.691 ( 11.520 -0.662 0.000) 11.539 7.310 ( -0.169 -0.650 0.000) 0.671 7.393 ( 5.084 0.440 0.000) 5.103 7.417 ( 3.713 -0.129 0.000) 3.715 7.565 ( 1.945 -0.012 0.000) 1.945 7.875 ( -4.087 -1.337 0.000) 4.301 7.903 ( -23.818 0.020 0.000) 23.818 8.161 ( 3.304 1.399 0.000) 3.588 8.449 ( 4.508 0.166 0.000) 4.511 8.548 ( -0.372 1.361 0.000) 1.411 8.823 ( -8.903 -4.515 0.000) 9.983 9.177 ( -9.465 -0.491 0.000) 9.478 9.205 ( 1.476 0.082 0.000) 1.479 9.273 ( 3.626 -0.749 0.000) 3.702 9.352 ( 2.062 -0.278 0.000) 2.080 9.415 ( -3.745 0.344 0.000) 3.761 10.174 ( -3.009 -0.011 0.000) 3.009======================= Grid point 37 (28/171) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( -8.547 0.239 0.000) 8.550 1.633 ( -9.116 -3.137 0.000) 9.640 2.089 ( -3.009 -0.305 0.000) 3.024 2.143 ( -0.311 -1.498 0.000) 1.530 2.550 ( -6.048 -6.355 0.000) 8.773 2.659 ( 11.594 5.465 0.000) 12.817 2.722 ( -2.341 -6.293 0.000) 6.714 2.824 ( -10.075 -2.681 0.000) 10.426 2.886 ( 2.108 2.743 0.000) 3.460 3.028 ( -9.392 -0.825 0.000) 9.428 3.319 ( 5.799 0.436 0.000) 5.815 3.426 ( -15.519 -4.033 0.000) 16.035 3.440 ( -7.518 2.533 0.000) 7.933 3.629 ( -3.573 0.438 0.000) 3.600 3.846 ( -2.634 4.834 0.000) 5.505 3.978 ( -14.297 -0.156 0.000) 14.298 4.032 ( -7.994 5.753 0.000) 9.849 4.177 ( -5.578 0.433 0.000) 5.595 6.352 ( -6.563 0.199 0.000) 6.566 6.910 ( 9.976 0.187 0.000) 9.977 7.286 ( -27.187 0.007 0.000) 27.187 7.317 ( -7.517 -0.583 0.000) 7.540 7.478 ( 3.202 1.317 0.000) 3.462 7.524 ( 3.341 0.078 0.000) 3.341 7.626 ( 3.921 -0.046 0.000) 3.921 7.804 ( -3.752 -2.164 0.000) 4.332 8.238 ( 5.276 0.865 0.000) 5.346 8.474 ( -4.651 0.986 0.000) 4.755 8.553 ( 1.126 -0.573 0.000) 1.263 8.670 ( -7.122 -5.837 0.000) 9.208 8.955 ( -13.218 -1.019 0.000) 13.257 9.230 ( 0.838 -1.369 0.000) 1.605 9.334 ( -1.891 1.803 0.000) 2.613 9.357 ( 4.611 0.613 0.000) 4.652 9.443 ( 5.201 -0.921 0.000) 5.282 10.132 ( -0.965 -0.091 0.000) 0.970======================= Grid point 38 (29/171) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.292 ( -13.047 1.079 0.000) 13.092 1.389 ( -15.544 1.863 0.000) 15.655 1.993 ( -6.156 1.884 0.000) 6.438 2.131 ( -2.517 -3.391 0.000) 4.223 2.388 ( -15.035 -4.696 0.000) 15.752 2.632 ( -8.976 -2.703 0.000) 9.374 2.721 ( -2.778 -4.937 0.000) 5.665 2.763 ( -2.579 5.784 0.000) 6.333 2.848 ( -7.762 -4.699 0.000) 9.074 2.893 ( -1.199 2.488 0.000) 2.762 3.180 ( -8.716 -3.203 0.000) 9.286 3.200 ( -16.512 0.302 0.000) 16.515 3.433 ( 5.875 0.971 0.000) 5.954 3.532 ( -10.359 0.607 0.000) 10.377 3.629 ( -12.289 2.235 0.000) 12.491 3.712 ( -8.287 -0.301 0.000) 8.293 3.936 ( 0.153 3.978 0.000) 3.981 4.155 ( 2.049 3.646 0.000) 4.183 6.258 ( -3.052 0.051 0.000) 3.052 6.472 ( -47.775 0.162 0.000) 47.775 7.060 ( 5.513 0.231 0.000) 5.518 7.300 ( -1.678 -0.202 0.000) 1.690 7.521 ( 2.222 2.522 0.000) 3.361 7.621 ( 5.332 0.260 0.000) 5.338 7.632 ( -6.535 -4.625 0.000) 8.006 7.807 ( 3.623 -1.082 0.000) 3.781 8.295 ( -12.667 -7.311 0.000) 14.625 8.350 ( 4.810 0.234 0.000) 4.816 8.471 ( -7.067 -1.668 0.000) 7.261 8.664 ( -3.226 0.361 0.000) 3.247 8.730 ( -5.454 -1.745 0.000) 5.726 9.252 ( 0.427 -2.254 0.000) 2.294 9.321 ( 2.249 4.629 0.000) 5.146 9.437 ( 4.084 1.738 0.000) 4.439 9.568 ( 7.001 -0.737 0.000) 7.040 10.145 ( 2.239 -0.180 0.000) 2.246======================= Grid point 39 (30/171) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.982 ( -17.599 3.090 0.000) 17.868 1.049 ( -15.579 9.170 0.000) 18.078 1.850 ( -6.658 3.007 0.000) 7.306 1.957 ( -30.563 2.527 0.000) 30.668 2.038 ( -10.373 -2.212 0.000) 10.606 2.501 ( -6.185 -1.460 0.000) 6.355 2.530 ( -12.356 -3.747 0.000) 12.912 2.633 ( -7.319 0.714 0.000) 7.354 2.682 ( -20.686 -0.466 0.000) 20.692 2.802 ( -3.103 -5.945 0.000) 6.706 3.000 ( -0.430 -3.491 0.000) 3.517 3.135 ( 1.780 3.407 0.000) 3.844 3.276 ( -12.310 -1.196 0.000) 12.368 3.422 ( -10.678 -0.611 0.000) 10.696 3.531 ( 4.608 0.938 0.000) 4.702 3.669 ( 1.124 -2.435 0.000) 2.682 3.950 ( 2.522 1.385 0.000) 2.877 4.201 ( 4.947 6.409 0.000) 8.096 5.481 ( -52.042 0.609 0.000) 52.045 6.242 ( 0.890 -0.027 0.000) 0.891 7.107 ( -2.643 -2.399 0.000) 3.570 7.232 ( -5.421 -0.095 0.000) 5.421 7.428 ( -21.195 -20.192 0.000) 29.274 7.550 ( 2.570 3.743 0.000) 4.541 7.715 ( 4.352 0.398 0.000) 4.371 7.860 ( 0.071 0.350 0.000) 0.357 8.125 ( -6.749 -9.544 0.000) 11.689 8.337 ( -6.131 -0.276 0.000) 6.137 8.376 ( -5.083 -0.173 0.000) 5.086 8.586 ( 2.236 0.665 0.000) 2.333 8.737 ( 0.399 -0.029 0.000) 0.400 9.272 ( 0.397 -2.720 0.000) 2.749 9.364 ( 5.332 8.267 0.000) 9.837 9.493 ( 2.831 2.529 0.000) 3.796 9.711 ( 7.150 -0.129 0.000) 7.151 10.210 ( 3.910 -0.180 0.000) 3.915======================= Grid point 40 (31/171) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( -18.279 7.069 0.000) 19.598 0.723 ( -10.921 17.604 0.000) 20.716 1.220 ( -38.451 12.441 0.000) 40.414 1.724 ( -4.518 3.010 0.000) 5.429 1.765 ( -14.627 0.320 0.000) 14.631 2.262 ( -16.429 -2.674 0.000) 16.645 2.419 ( -3.634 -8.616 0.000) 9.351 2.448 ( -5.326 1.852 0.000) 5.639 2.494 ( -3.683 1.840 0.000) 4.117 2.790 ( -1.234 -6.490 0.000) 6.606 3.054 ( 1.180 -4.029 0.000) 4.198 3.078 ( -8.253 -1.941 0.000) 8.478 3.154 ( 1.931 5.657 0.000) 5.977 3.261 ( -6.454 -5.048 0.000) 8.193 3.598 ( 2.598 0.825 0.000) 2.726 3.722 ( 2.174 -3.262 0.000) 3.920 4.013 ( 4.123 -0.274 0.000) 4.132 4.258 ( 4.073 7.945 0.000) 8.928 4.559 ( -38.483 1.318 0.000) 38.506 6.282 ( 2.609 0.108 0.000) 2.611 6.700 ( -67.469 -51.480 0.000) 84.866 7.113 ( -5.910 -0.225 0.000) 5.914 7.157 ( -8.867 -4.733 0.000) 10.051 7.576 ( 1.926 4.247 0.000) 4.663 7.780 ( 2.413 0.441 0.000) 2.453 7.832 ( -1.484 0.425 0.000) 1.543 8.103 ( -1.426 -5.930 0.000) 6.099 8.246 ( -2.899 0.265 0.000) 2.911 8.263 ( -4.930 -0.085 0.000) 4.931 8.660 ( 3.719 0.826 0.000) 3.810 8.725 ( -1.149 0.103 0.000) 1.153 9.294 ( 0.382 -2.935 0.000) 2.960 9.455 ( 9.461 9.251 0.000) 13.232 9.520 ( 1.391 2.910 0.000) 3.225 9.831 ( 4.976 0.657 0.000) 5.019 10.281 ( 2.887 -0.103 0.000) 2.889======================= Grid point 41 (32/171) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.307 ( 0.000 13.754 0.000) 13.754 0.425 ( 0.000 19.503 0.000) 19.503 0.646 ( 0.000 30.054 0.000) 30.054 1.596 ( 0.000 0.167 0.000) 0.167 1.667 ( 0.000 3.142 0.000) 3.142 2.045 ( -0.000 -0.050 0.000) 0.050 2.362 ( 0.000 1.762 0.000) 1.762 2.431 ( -0.000 -8.522 0.000) 8.522 2.467 ( 0.000 1.743 0.000) 1.743 2.814 ( -0.000 -6.887 0.000) 6.887 2.945 ( 0.000 0.600 0.000) 0.600 3.076 ( -0.000 -2.575 0.000) 2.575 3.143 ( 0.000 6.624 0.000) 6.624 3.239 ( -0.000 -7.619 0.000) 7.619 3.621 ( 0.000 0.632 0.000) 0.632 3.771 ( -0.000 -3.611 0.000) 3.611 4.145 ( 0.000 1.583 0.000) 1.583 4.192 ( -0.000 -0.080 0.000) 0.080 4.259 ( 0.000 8.183 0.000) 8.183 4.760 ( -0.000 -3.693 0.000) 3.693 6.312 ( 0.000 0.236 0.000) 0.236 7.049 ( -0.000 -0.341 0.000) 0.341 7.082 ( -0.000 -0.793 0.000) 0.793 7.575 ( 0.000 3.924 0.000) 3.924 7.801 ( 0.000 0.405 0.000) 0.405 7.815 ( 0.000 0.516 0.000) 0.516 8.114 ( -0.000 -4.498 0.000) 4.498 8.211 ( 0.000 0.236 0.000) 0.236 8.217 ( 0.000 0.350 0.000) 0.350 8.694 ( 0.000 0.624 0.000) 0.624 8.712 ( -0.000 -0.319 0.000) 0.319 9.314 ( -0.000 -2.932 0.000) 2.932 9.519 ( 0.000 2.928 0.000) 2.928 9.602 ( -0.000 -0.262 0.000) 0.262 9.882 ( 0.000 1.105 0.000) 1.105 10.311 ( -0.000 -0.052 0.000) 0.052======================= Grid point 46 (33/171) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( -10.472 0.000 0.000) 10.472 1.704 ( 1.777 -0.000 0.000) 1.777 1.907 ( -9.006 0.000 0.000) 9.006 2.216 ( 2.339 -0.000 0.000) 2.339 2.220 ( -2.666 0.000 0.000) 2.666 2.746 ( 0.382 -0.000 0.000) 0.382 2.792 ( -1.222 0.000 0.000) 1.222 2.951 ( -2.314 0.000 0.000) 2.314 3.113 ( -2.168 0.000 0.000) 2.168 3.273 ( 2.627 -0.000 0.000) 2.627 3.323 ( 3.633 -0.000 0.000) 3.633 3.606 ( 2.334 -0.000 0.000) 2.334 3.643 ( 9.296 -0.000 0.000) 9.296 3.744 ( -3.309 0.000 0.000) 3.309 3.871 ( 3.379 -0.000 0.000) 3.379 3.893 ( 3.879 -0.000 0.000) 3.879 4.462 ( 4.302 -0.000 0.000) 4.302 4.571 ( 8.196 -0.000 0.000) 8.196 6.529 ( -7.731 0.000 0.000) 7.731 6.662 ( 7.690 -0.000 0.000) 7.690 7.252 ( -5.202 0.000 0.000) 5.202 7.366 ( -1.914 0.000 0.000) 1.914 7.367 ( 0.035 -0.000 0.000) 0.035 7.546 ( -0.384 0.000 0.000) 0.384 7.996 ( 3.852 -0.000 0.000) 3.852 8.054 ( -2.832 0.000 0.000) 2.832 8.248 ( 11.818 -0.000 0.000) 11.818 8.373 ( -2.068 0.000 0.000) 2.068 8.523 ( 0.164 -0.000 0.000) 0.164 9.032 ( 0.656 -0.000 0.000) 0.656 9.148 ( -1.857 0.000 0.000) 1.857 9.262 ( -1.898 0.000 0.000) 1.898 9.317 ( 3.554 -0.000 0.000) 3.554 9.334 ( -0.191 0.000 0.000) 0.191 9.480 ( 3.694 -0.000 0.000) 3.694 10.230 ( 2.408 -0.000 0.000) 2.408======================= Grid point 47 (34/171) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( -4.084 0.240 0.000) 4.091 1.713 ( 0.178 0.003 0.000) 0.178 1.837 ( 1.357 0.120 0.000) 1.362 2.174 ( -1.933 0.076 0.000) 1.934 2.259 ( 2.250 -0.198 0.000) 2.259 2.721 ( -2.473 3.967 0.000) 4.674 2.758 ( -2.130 -3.229 0.000) 3.869 2.891 ( -3.548 -0.550 0.000) 3.591 3.099 ( 0.676 0.024 0.000) 0.676 3.297 ( -0.763 -0.989 0.000) 1.249 3.356 ( -0.309 -0.008 0.000) 0.309 3.647 ( -2.129 3.077 0.000) 3.742 3.683 ( 1.166 -3.017 0.000) 3.234 3.815 ( 8.100 1.987 0.000) 8.340 3.916 ( -1.416 0.002 0.000) 1.416 3.925 ( 1.807 -2.248 0.000) 2.884 4.497 ( -0.048 2.878 0.000) 2.878 4.658 ( 0.307 -1.935 0.000) 1.959 6.436 ( -1.259 -0.076 0.000) 1.261 6.750 ( 0.150 0.002 0.000) 0.150 7.193 ( 0.378 -0.034 0.000) 0.379 7.346 ( -0.197 0.255 0.000) 0.323 7.358 ( -0.943 -0.220 0.000) 0.969 7.544 ( 0.073 0.048 0.000) 0.087 7.992 ( -2.857 -0.267 0.000) 2.869 8.075 ( 3.278 0.306 0.000) 3.292 8.351 ( -0.078 -0.100 0.000) 0.127 8.362 ( 0.023 -0.002 0.000) 0.023 8.535 ( 1.064 0.055 0.000) 1.065 9.003 ( -3.072 -0.040 0.000) 3.072 9.138 ( 0.801 0.004 0.000) 0.801 9.229 ( -1.303 -0.007 0.000) 1.303 9.339 ( -0.297 -0.016 0.000) 0.297 9.351 ( 0.284 0.056 0.000) 0.289 9.518 ( 0.190 -0.006 0.000) 0.190 10.256 ( 0.024 0.003 0.000) 0.025======================= Grid point 48 (35/171) =======================q-point: (-0.64 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( 4.541 -1.241 0.000) 4.708 1.703 ( -1.966 -0.006 0.000) 1.966 1.943 ( 8.664 0.461 0.000) 8.676 2.147 ( -0.901 -0.352 0.000) 0.968 2.320 ( 4.853 0.597 0.000) 4.890 2.640 ( -3.740 1.654 0.000) 4.090 2.732 ( -2.566 -3.781 0.000) 4.569 2.837 ( -1.779 -0.288 0.000) 1.802 3.137 ( 3.216 0.258 0.000) 3.227 3.221 ( -7.936 -1.052 0.000) 8.005 3.310 ( -4.393 -0.140 0.000) 4.395 3.595 ( -0.695 1.938 0.000) 2.058 3.722 ( 0.237 -0.889 0.000) 0.920 3.839 ( -6.753 -0.575 0.000) 6.778 3.908 ( 3.206 4.107 0.000) 5.210 3.988 ( 3.097 -3.829 0.000) 4.924 4.430 ( -4.698 5.107 0.000) 6.939 4.603 ( -7.146 -2.796 0.000) 7.674 6.492 ( 6.809 -0.503 0.000) 6.828 6.669 ( -7.340 0.058 0.000) 7.340 7.264 ( 5.419 0.121 0.000) 5.421 7.335 ( -0.676 -0.169 0.000) 0.697 7.362 ( 1.646 -0.180 0.000) 1.656 7.547 ( 0.320 0.086 0.000) 0.332 7.934 ( -3.449 -0.635 0.000) 3.507 8.127 ( 2.527 0.853 0.000) 2.667 8.249 ( -11.778 0.003 0.000) 11.778 8.375 ( 2.513 -0.235 0.000) 2.524 8.557 ( 1.131 0.593 0.000) 1.277 8.922 ( -5.758 -1.249 0.000) 5.892 9.176 ( 2.915 0.611 0.000) 2.979 9.216 ( -0.032 -0.801 0.000) 0.802 9.303 ( -3.895 -0.130 0.000) 3.897 9.339 ( -0.834 0.096 0.000) 0.839 9.489 ( -2.942 0.056 0.000) 2.942 10.231 ( -2.413 0.010 0.000) 2.413======================= Grid point 49 (36/171) =======================q-point: (-0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( -5.069 0.008 0.000) 5.069 1.646 ( 1.382 -3.243 0.000) 3.525 2.076 ( 3.297 -0.498 0.000) 3.335 2.140 ( -0.123 -0.265 0.000) 0.292 2.477 ( 12.239 2.685 0.000) 12.530 2.565 ( -4.242 -2.379 0.000) 4.864 2.697 ( -3.102 -4.263 0.000) 5.273 2.843 ( 2.805 1.367 0.000) 3.121 3.027 ( -11.653 -1.228 0.000) 11.718 3.187 ( -6.607 0.136 0.000) 6.608 3.220 ( 3.871 -0.038 0.000) 3.871 3.569 ( -1.903 2.509 0.000) 3.149 3.659 ( -12.428 -1.808 0.000) 12.559 3.697 ( -2.780 -0.146 0.000) 2.784 3.927 ( 1.060 4.169 0.000) 4.301 4.050 ( 0.651 -3.358 0.000) 3.421 4.271 ( -8.226 6.117 0.000) 10.251 4.413 ( -13.413 -1.864 0.000) 13.542 6.506 ( -8.610 0.151 0.000) 8.611 6.685 ( 11.880 -0.501 0.000) 11.891 7.304 ( -0.338 -0.442 0.000) 0.556 7.397 ( 5.563 0.354 0.000) 5.574 7.415 ( 3.679 -0.134 0.000) 3.682 7.565 ( 1.900 0.029 0.000) 1.900 7.863 ( -4.209 -0.967 0.000) 4.319 7.904 ( -23.815 0.006 0.000) 23.815 8.174 ( 3.094 1.068 0.000) 3.273 8.449 ( 4.898 -0.127 0.000) 4.899 8.563 ( -0.285 1.463 0.000) 1.490 8.781 ( -10.037 -3.484 0.000) 10.624 9.173 ( -9.591 -0.283 0.000) 9.595 9.206 ( 0.637 0.091 0.000) 0.644 9.266 ( 4.385 -0.555 0.000) 4.420 9.349 ( 2.100 -0.182 0.000) 2.108 9.417 ( -3.828 0.162 0.000) 3.832 10.174 ( -3.032 -0.006 0.000) 3.032======================= Grid point 50 (37/171) =======================q-point: (-0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -8.354 0.181 0.000) 8.356 1.606 ( -7.058 -2.241 0.000) 7.405 2.080 ( -2.629 -1.205 0.000) 2.892 2.139 ( -0.250 0.376 0.000) 0.451 2.487 ( -6.638 -5.695 0.000) 8.746 2.665 ( -2.241 -4.690 0.000) 5.198 2.705 ( 10.892 3.609 0.000) 11.474 2.802 ( -10.989 -1.522 0.000) 11.094 2.912 ( 3.368 2.230 0.000) 4.039 3.025 ( -8.656 0.404 0.000) 8.665 3.316 ( 2.408 -1.256 0.000) 2.716 3.391 ( -13.297 -2.496 0.000) 13.529 3.464 ( -8.298 2.239 0.000) 8.595 3.634 ( -3.117 0.586 0.000) 3.172 3.887 ( -5.255 3.408 0.000) 6.263 3.973 ( -11.280 -0.859 0.000) 11.313 4.082 ( -10.037 4.036 0.000) 10.818 4.184 ( -4.051 0.992 0.000) 4.171 6.354 ( -6.621 0.156 0.000) 6.622 6.912 ( 10.301 0.168 0.000) 10.303 7.287 ( -26.293 0.212 0.000) 26.294 7.311 ( -8.179 -0.677 0.000) 8.207 7.491 ( 3.740 1.141 0.000) 3.911 7.525 ( 3.338 -0.016 0.000) 3.338 7.628 ( 4.219 0.331 0.000) 4.232 7.782 ( -4.729 -2.161 0.000) 5.199 8.247 ( 4.957 0.765 0.000) 5.016 8.481 ( -8.617 0.432 0.000) 8.627 8.548 ( 0.328 -0.439 0.000) 0.548 8.617 ( -3.790 -4.399 0.000) 5.807 8.947 ( -13.261 -0.552 0.000) 13.272 9.218 ( 0.402 -0.999 0.000) 1.077 9.350 ( -1.141 1.380 0.000) 1.791 9.362 ( 5.109 0.390 0.000) 5.124 9.433 ( 5.138 -0.945 0.000) 5.224 10.131 ( -1.011 -0.072 0.000) 1.014======================= Grid point 51 (38/171) =======================q-point: (-0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.302 ( -12.439 0.870 0.000) 12.469 1.414 ( -11.770 2.981 0.000) 12.142 2.000 ( -5.852 -0.585 0.000) 5.881 2.117 ( -1.930 0.697 0.000) 2.052 2.330 ( -13.931 -6.427 0.000) 15.342 2.609 ( -7.567 -1.806 0.000) 7.779 2.670 ( -2.094 -4.784 0.000) 5.222 2.788 ( -2.794 -3.557 0.000) 4.523 2.828 ( -13.474 3.731 0.000) 13.981 2.925 ( -1.481 3.443 0.000) 3.748 3.146 ( -4.586 -3.369 0.000) 5.690 3.204 ( -17.806 0.319 0.000) 17.809 3.442 ( 5.771 0.821 0.000) 5.829 3.545 ( -10.392 1.797 0.000) 10.547 3.651 ( -10.189 1.684 0.000) 10.327 3.705 ( -12.718 -0.843 0.000) 12.746 3.972 ( -1.149 3.017 0.000) 3.229 4.189 ( 3.459 3.082 0.000) 4.633 6.259 ( -3.091 0.061 0.000) 3.091 6.474 ( -47.684 0.126 0.000) 47.684 7.063 ( 5.323 0.330 0.000) 5.333 7.298 ( -1.554 -0.215 0.000) 1.569 7.546 ( 2.949 2.422 0.000) 3.816 7.587 ( -12.064 -4.213 0.000) 12.778 7.623 ( 5.392 0.117 0.000) 5.393 7.794 ( 5.051 -1.483 0.000) 5.265 8.220 ( -15.914 -6.939 0.000) 17.361 8.354 ( 5.133 0.380 0.000) 5.148 8.462 ( -6.227 -0.325 0.000) 6.235 8.667 ( -1.630 0.392 0.000) 1.676 8.715 ( -5.807 -1.254 0.000) 5.940 9.231 ( 0.227 -1.743 0.000) 1.757 9.362 ( 3.550 3.416 0.000) 4.926 9.452 ( 4.461 1.281 0.000) 4.642 9.560 ( 7.216 -0.795 0.000) 7.260 10.144 ( 2.206 -0.167 0.000) 2.212======================= Grid point 52 (39/171) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( -16.236 2.730 0.000) 16.464 1.153 ( -10.594 10.987 0.000) 15.262 1.873 ( -6.630 1.019 0.000) 6.708 1.965 ( -26.674 -1.158 0.000) 26.699 2.028 ( -8.476 0.715 0.000) 8.506 2.489 ( -6.393 -0.971 0.000) 6.467 2.496 ( -15.898 -2.954 0.000) 16.170 2.621 ( -7.128 -2.254 0.000) 7.476 2.700 ( -18.299 3.227 0.000) 18.581 2.736 ( -3.931 -6.878 0.000) 7.922 2.968 ( -2.556 -2.739 0.000) 3.747 3.168 ( 3.411 2.943 0.000) 4.505 3.270 ( -12.819 0.150 0.000) 12.820 3.413 ( -13.138 -1.171 0.000) 13.190 3.540 ( 4.553 0.771 0.000) 4.618 3.648 ( 1.180 -1.669 0.000) 2.044 3.959 ( 0.828 0.291 0.000) 0.878 4.264 ( 5.976 5.769 0.000) 8.306 5.487 ( -51.683 0.631 0.000) 51.687 6.242 ( 0.894 -0.063 0.000) 0.896 7.064 ( -16.474 -7.191 0.000) 17.975 7.231 ( -5.425 -0.098 0.000) 5.426 7.242 ( -20.179 -14.256 0.000) 24.707 7.589 ( 3.167 3.831 0.000) 4.970 7.719 ( 4.396 0.302 0.000) 4.406 7.864 ( 0.289 0.508 0.000) 0.585 8.042 ( -4.378 -6.907 0.000) 8.178 8.336 ( -5.889 0.073 0.000) 5.889 8.375 ( -4.960 -0.059 0.000) 4.960 8.593 ( 2.319 0.564 0.000) 2.387 8.734 ( 0.540 -0.395 0.000) 0.669 9.246 ( 0.308 -2.272 0.000) 2.293 9.435 ( 5.820 5.719 0.000) 8.159 9.517 ( 3.067 2.103 0.000) 3.718 9.710 ( 7.581 -0.124 0.000) 7.582 10.208 ( 3.926 -0.199 0.000) 3.931======================= Grid point 53 (40/171) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.669 ( -15.551 6.538 0.000) 16.870 0.905 ( -8.701 17.812 0.000) 19.823 1.340 ( -30.982 10.686 0.000) 32.773 1.745 ( -7.994 0.786 0.000) 8.033 1.779 ( -10.770 2.514 0.000) 11.060 2.238 ( -16.104 -1.990 0.000) 16.227 2.336 ( -4.310 -7.081 0.000) 8.289 2.468 ( -4.503 2.172 0.000) 4.999 2.516 ( -3.845 2.513 0.000) 4.594 2.721 ( -1.473 -7.268 0.000) 7.416 3.003 ( 2.061 -5.626 0.000) 5.992 3.064 ( -8.592 -0.725 0.000) 8.622 3.205 ( 2.181 4.484 0.000) 4.986 3.207 ( -9.206 -5.507 0.000) 10.728 3.606 ( 2.525 0.761 0.000) 2.637 3.694 ( 2.095 -2.217 0.000) 3.051 4.007 ( 4.174 -0.984 0.000) 4.289 4.338 ( 4.519 7.515 0.000) 8.769 4.574 ( -38.035 1.478 0.000) 38.063 6.227 ( -78.701 -40.038 0.000) 88.300 6.283 ( 2.729 0.089 0.000) 2.730 7.111 ( -6.044 -0.248 0.000) 6.049 7.130 ( -4.771 -1.780 0.000) 5.092 7.622 ( 2.224 4.739 0.000) 5.235 7.784 ( 2.429 0.427 0.000) 2.467 7.837 ( -1.318 0.647 0.000) 1.468 8.045 ( -0.667 -5.440 0.000) 5.480 8.249 ( -2.756 0.316 0.000) 2.774 8.264 ( -4.771 0.147 0.000) 4.774 8.667 ( 3.665 0.619 0.000) 3.717 8.723 ( -1.442 -0.443 0.000) 1.508 9.266 ( 0.339 -2.654 0.000) 2.675 9.524 ( 6.221 4.728 0.000) 7.814 9.549 ( 1.489 2.668 0.000) 3.055 9.839 ( 5.534 0.892 0.000) 5.605 10.280 ( 2.916 -0.144 0.000) 2.920======================= Grid point 54 (41/171) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.435 ( 0.000 11.419 0.000) 11.419 0.611 ( 0.000 16.932 0.000) 16.932 0.935 ( 0.000 26.774 0.000) 26.774 1.598 ( 0.000 0.207 0.000) 0.207 1.702 ( 0.000 3.496 0.000) 3.496 2.045 ( 0.000 0.044 0.000) 0.044 2.341 ( -0.000 -8.673 0.000) 8.673 2.384 ( 0.000 2.560 0.000) 2.560 2.489 ( 0.000 2.573 0.000) 2.573 2.745 ( -0.000 -6.996 0.000) 6.996 2.951 ( 0.000 0.467 0.000) 0.467 3.045 ( -0.000 -3.365 0.000) 3.365 3.150 ( -0.000 -9.531 0.000) 9.531 3.203 ( 0.000 5.222 0.000) 5.222 3.628 ( 0.000 0.708 0.000) 0.708 3.737 ( -0.000 -2.946 0.000) 2.946 4.163 ( 0.000 1.974 0.000) 1.974 4.191 ( -0.000 -0.076 0.000) 0.076 4.344 ( 0.000 8.254 0.000) 8.254 4.717 ( -0.000 -4.828 0.000) 4.828 6.315 ( 0.000 0.270 0.000) 0.270 7.045 ( -0.000 -0.431 0.000) 0.431 7.073 ( -0.000 -0.991 0.000) 0.991 7.620 ( 0.000 4.890 0.000) 4.890 7.806 ( 0.000 0.468 0.000) 0.468 7.821 ( 0.000 0.680 0.000) 0.680 8.063 ( -0.000 -5.331 0.000) 5.331 8.213 ( 0.000 0.302 0.000) 0.302 8.221 ( 0.000 0.425 0.000) 0.425 8.698 ( -0.000 -0.075 0.000) 0.075 8.711 ( 0.000 0.120 0.000) 0.120 9.284 ( -0.000 -2.885 0.000) 2.885 9.549 ( 0.000 2.924 0.000) 2.924 9.599 ( -0.000 -0.271 0.000) 0.271 9.894 ( 0.000 1.318 0.000) 1.318 10.310 ( -0.000 -0.093 0.000) 0.093======================= Grid point 61 (42/171) =======================q-point: (-0.71 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( 4.101 -0.000 0.000) 4.101 1.703 ( -1.971 0.000 0.000) 1.971 1.946 ( 8.574 -0.000 0.000) 8.574 2.145 ( -0.936 0.000 0.000) 0.936 2.323 ( 5.163 -0.000 0.000) 5.163 2.654 ( -5.159 0.000 0.000) 5.159 2.707 ( -2.067 0.000 0.000) 2.067 2.836 ( -1.356 0.000 0.000) 1.356 3.138 ( 3.259 -0.000 0.000) 3.259 3.215 ( -7.756 0.000 0.000) 7.756 3.309 ( -4.431 0.000 0.000) 4.431 3.606 ( -0.807 0.000 0.000) 0.807 3.717 ( 0.610 -0.000 0.000) 0.610 3.836 ( -6.921 0.000 0.000) 6.921 3.944 ( 1.204 -0.000 0.000) 1.204 3.953 ( 5.106 -0.000 0.000) 5.106 4.461 ( -4.470 0.000 0.000) 4.470 4.585 ( -7.189 0.000 0.000) 7.189 6.490 ( 6.768 -0.000 0.000) 6.768 6.669 ( -7.324 0.000 0.000) 7.324 7.264 ( 5.473 -0.000 0.000) 5.473 7.334 ( -0.867 0.000 0.000) 0.867 7.361 ( 1.751 -0.000 0.000) 1.751 7.547 ( 0.310 -0.000 0.000) 0.310 7.930 ( -3.453 0.000 0.000) 3.453 8.132 ( 2.549 -0.000 0.000) 2.549 8.249 ( -11.778 0.000 0.000) 11.778 8.373 ( 2.503 -0.000 0.000) 2.503 8.560 ( 1.283 -0.000 0.000) 1.283 8.916 ( -6.073 0.000 0.000) 6.073 9.179 ( 3.356 -0.000 0.000) 3.356 9.211 ( -0.518 0.000 0.000) 0.518 9.302 ( -3.903 0.000 0.000) 3.903 9.339 ( -0.890 0.000 0.000) 0.890 9.490 ( -2.924 0.000 0.000) 2.924 10.231 ( -2.414 0.000 0.000) 2.414======================= Grid point 63 (43/171) =======================q-point: (-0.64 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.624 ( 1.316 -1.167 0.000) 1.759 1.634 ( -5.047 0.004 0.000) 5.047 2.072 ( 2.914 -0.158 0.000) 2.918 2.138 ( 0.086 -0.095 0.000) 0.128 2.496 ( 12.724 0.956 0.000) 12.760 2.550 ( -5.537 -0.747 0.000) 5.587 2.666 ( -2.583 -1.593 0.000) 3.034 2.853 ( 3.222 0.526 0.000) 3.265 3.019 ( -11.731 -0.442 0.000) 11.739 3.188 ( -7.613 0.051 0.000) 7.613 3.220 ( 4.829 -0.017 0.000) 4.829 3.588 ( -1.999 1.077 0.000) 2.270 3.646 ( -12.840 -0.663 0.000) 12.857 3.695 ( -2.523 -0.134 0.000) 2.526 3.962 ( 1.082 2.470 0.000) 2.696 4.019 ( 0.698 -2.402 0.000) 2.502 4.325 ( -8.289 3.925 0.000) 9.171 4.390 ( -13.029 -2.349 0.000) 13.239 6.507 ( -8.601 0.053 0.000) 8.601 6.682 ( 12.094 -0.188 0.000) 12.095 7.301 ( -0.423 -0.156 0.000) 0.451 7.399 ( 5.927 0.145 0.000) 5.929 7.414 ( 3.556 -0.066 0.000) 3.556 7.565 ( 1.883 0.018 0.000) 1.883 7.857 ( -4.295 -0.353 0.000) 4.309 7.904 ( -23.815 0.001 0.000) 23.815 8.182 ( 2.974 0.401 0.000) 3.001 8.448 ( 5.063 -0.089 0.000) 5.064 8.575 ( 0.085 0.683 0.000) 0.688 8.756 ( -10.932 -1.377 0.000) 11.018 9.171 ( -9.641 -0.093 0.000) 9.641 9.207 ( 0.059 0.042 0.000) 0.073 9.263 ( 4.918 -0.208 0.000) 4.923 9.348 ( 2.108 -0.064 0.000) 2.108 9.418 ( -3.882 0.045 0.000) 3.883 10.174 ( -3.045 -0.002 0.000) 3.045======================= Grid point 64 (44/171) =======================q-point: (-0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( -8.233 0.096 0.000) 8.233 1.588 ( -5.383 -1.135 0.000) 5.502 2.069 ( -2.804 -0.758 0.000) 2.905 2.144 ( 0.390 0.487 0.000) 0.624 2.440 ( -7.380 -3.310 0.000) 8.088 2.629 ( -2.183 -2.489 0.000) 3.311 2.732 ( 9.525 1.650 0.000) 9.667 2.791 ( -11.190 -0.664 0.000) 11.210 2.929 ( 3.856 1.200 0.000) 4.039 3.034 ( -6.675 0.970 0.000) 6.745 3.296 ( -5.020 -2.049 0.000) 5.422 3.377 ( -7.404 -0.600 0.000) 7.429 3.483 ( -8.912 1.329 0.000) 9.010 3.639 ( -2.713 0.377 0.000) 2.739 3.917 ( -7.590 2.535 0.000) 8.003 3.960 ( -9.357 -1.627 0.000) 9.497 4.114 ( -10.168 2.206 0.000) 10.405 4.194 ( -3.502 0.737 0.000) 3.578 6.355 ( -6.660 0.085 0.000) 6.661 6.913 ( 10.555 0.103 0.000) 10.555 7.290 ( -27.699 0.362 0.000) 27.701 7.304 ( -6.646 -0.620 0.000) 6.675 7.501 ( 4.305 0.716 0.000) 4.365 7.524 ( 3.176 -0.090 0.000) 3.177 7.632 ( 4.986 0.427 0.000) 5.004 7.763 ( -6.001 -1.469 0.000) 6.178 8.253 ( 4.669 0.442 0.000) 4.690 8.483 ( -14.037 -0.082 0.000) 14.037 8.545 ( -0.254 -0.199 0.000) 0.323 8.583 ( 1.338 -2.159 0.000) 2.540 8.943 ( -13.260 -0.245 0.000) 13.262 9.210 ( 0.143 -0.526 0.000) 0.545 9.362 ( -0.786 0.842 0.000) 1.152 9.365 ( 5.412 0.187 0.000) 5.415 9.425 ( 5.196 -0.680 0.000) 5.240 10.131 ( -1.044 -0.040 0.000) 1.045======================= Grid point 65 (45/171) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( -12.008 0.546 0.000) 12.021 1.445 ( -8.229 2.977 0.000) 8.751 1.988 ( -5.835 -1.380 0.000) 5.996 2.136 ( -0.970 2.281 0.000) 2.479 2.266 ( -13.744 -5.620 0.000) 14.849 2.594 ( -5.151 -1.173 0.000) 5.283 2.629 ( -3.536 -3.032 0.000) 4.658 2.747 ( -6.552 -3.721 0.000) 7.535 2.870 ( -17.006 3.605 0.000) 17.384 2.957 ( -0.801 2.594 0.000) 2.714 3.114 ( 1.085 -2.814 0.000) 3.016 3.206 ( -19.187 0.194 0.000) 19.188 3.449 ( 5.631 0.537 0.000) 5.657 3.568 ( -9.435 2.632 0.000) 9.795 3.654 ( -8.916 -1.204 0.000) 8.997 3.703 ( -15.787 0.665 0.000) 15.801 3.996 ( -2.861 1.777 0.000) 3.368 4.215 ( 4.579 2.018 0.000) 5.004 6.259 ( -3.074 0.050 0.000) 3.074 6.475 ( -47.664 0.076 0.000) 47.664 7.066 ( 5.289 0.327 0.000) 5.299 7.296 ( -1.442 -0.162 0.000) 1.451 7.549 ( -17.230 -3.033 0.000) 17.495 7.568 ( 3.527 1.850 0.000) 3.983 7.623 ( 5.432 -0.081 0.000) 5.433 7.779 ( 6.411 -1.330 0.000) 6.547 8.161 ( -16.543 -4.451 0.000) 17.131 8.357 ( 4.984 0.280 0.000) 4.992 8.461 ( -6.038 0.003 0.000) 6.038 8.672 ( 0.608 0.417 0.000) 0.737 8.704 ( -7.400 -0.917 0.000) 7.457 9.217 ( 0.085 -1.101 0.000) 1.105 9.390 ( 4.333 2.138 0.000) 4.832 9.463 ( 4.751 0.784 0.000) 4.815 9.553 ( 7.429 -0.660 0.000) 7.458 10.142 ( 2.176 -0.118 0.000) 2.179======================= Grid point 66 (46/171) =======================q-point: (-0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( -15.174 1.934 0.000) 15.297 1.266 ( -6.065 10.877 0.000) 12.453 1.871 ( -6.512 -1.108 0.000) 6.605 1.935 ( -23.751 -4.368 0.000) 24.149 2.052 ( -7.783 3.392 0.000) 8.491 2.474 ( -17.373 -1.208 0.000) 17.415 2.482 ( -6.894 -0.282 0.000) 6.900 2.598 ( -4.660 -2.254 0.000) 5.176 2.664 ( -5.004 -7.126 0.000) 8.707 2.735 ( -18.500 3.186 0.000) 18.772 2.946 ( -3.851 -1.408 0.000) 4.101 3.194 ( 4.418 2.159 0.000) 4.918 3.278 ( -13.693 1.388 0.000) 13.763 3.397 ( -15.279 -1.883 0.000) 15.394 3.547 ( 4.485 0.502 0.000) 4.513 3.636 ( 1.360 -0.701 0.000) 1.530 3.957 ( -0.550 -0.557 0.000) 0.783 4.315 ( 6.720 4.294 0.000) 7.975 5.493 ( -51.365 0.521 0.000) 51.368 6.241 ( 0.902 -0.075 0.000) 0.905 6.956 ( -41.422 -12.149 0.000) 43.167 7.157 ( -3.922 -3.971 0.000) 5.582 7.230 ( -5.421 -0.078 0.000) 5.421 7.626 ( 3.688 3.219 0.000) 4.896 7.721 ( 4.432 0.085 0.000) 4.433 7.871 ( 0.926 0.776 0.000) 1.209 7.982 ( -3.284 -4.926 0.000) 5.920 8.337 ( -5.836 0.144 0.000) 5.838 8.375 ( -4.864 -0.050 0.000) 4.865 8.598 ( 2.296 0.394 0.000) 2.330 8.730 ( 0.588 -0.442 0.000) 0.736 9.226 ( 0.228 -1.624 0.000) 1.640 9.481 ( 5.696 3.499 0.000) 6.685 9.536 ( 3.290 1.507 0.000) 3.619 9.709 ( 8.066 -0.094 0.000) 8.067 10.206 ( 3.932 -0.175 0.000) 3.936======================= Grid point 67 (47/171) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.728 ( -13.584 4.959 0.000) 14.461 1.078 ( -9.805 16.014 0.000) 18.777 1.428 ( -22.213 6.484 0.000) 23.140 1.748 ( -8.976 0.022 0.000) 8.976 1.802 ( -10.147 1.550 0.000) 10.265 2.222 ( -15.585 -1.187 0.000) 15.630 2.286 ( -4.211 -2.323 0.000) 4.810 2.492 ( -3.835 2.422 0.000) 4.536 2.545 ( -3.484 3.114 0.000) 4.673 2.642 ( -1.660 -8.227 0.000) 8.393 2.945 ( 1.193 -5.530 0.000) 5.658 3.061 ( -8.405 -0.208 0.000) 8.408 3.152 ( -11.352 -5.149 0.000) 12.465 3.245 ( 2.262 3.283 0.000) 3.987 3.613 ( 2.468 0.530 0.000) 2.524 3.676 ( 1.963 -1.298 0.000) 2.354 3.995 ( 4.579 -1.303 0.000) 4.761 4.407 ( 4.837 6.030 0.000) 7.730 4.588 ( -37.591 1.345 0.000) 37.615 5.890 ( -77.254 -26.601 0.000) 81.706 6.283 ( 2.852 0.054 0.000) 2.852 7.108 ( -6.182 -0.222 0.000) 6.186 7.115 ( -3.979 -1.257 0.000) 4.173 7.669 ( 2.509 4.361 0.000) 5.031 7.788 ( 2.449 0.257 0.000) 2.463 7.845 ( -1.269 0.800 0.000) 1.500 7.993 ( -0.512 -4.676 0.000) 4.704 8.252 ( -2.655 0.297 0.000) 2.671 8.265 ( -4.657 0.168 0.000) 4.660 8.672 ( 3.604 0.394 0.000) 3.625 8.718 ( -1.562 -0.579 0.000) 1.666 9.241 ( 0.294 -2.082 0.000) 2.102 9.558 ( 3.757 2.346 0.000) 4.429 9.574 ( 1.598 2.139 0.000) 2.670 9.849 ( 6.015 0.874 0.000) 6.078 10.278 ( 2.940 -0.162 0.000) 2.945======================= Grid point 68 (48/171) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.537 ( 0.000 8.563 0.000) 8.563 0.766 ( 0.000 13.468 0.000) 13.468 1.185 ( 0.000 22.068 0.000) 22.068 1.600 ( 0.000 0.207 0.000) 0.207 1.731 ( 0.000 1.919 0.000) 1.919 2.046 ( 0.000 0.171 0.000) 0.171 2.269 ( -0.000 -4.761 0.000) 4.761 2.413 ( 0.000 3.152 0.000) 3.152 2.519 ( 0.000 3.271 0.000) 3.271 2.670 ( -0.000 -7.869 0.000) 7.869 2.951 ( -0.000 -0.769 0.000) 0.769 3.012 ( -0.000 -2.789 0.000) 2.789 3.051 ( -0.000 -9.868 0.000) 9.868 3.249 ( 0.000 3.883 0.000) 3.883 3.634 ( 0.000 0.581 0.000) 0.581 3.712 ( -0.000 -2.171 0.000) 2.171 4.184 ( 0.000 1.975 0.000) 1.975 4.190 ( -0.000 -0.050 0.000) 0.050 4.422 ( 0.000 7.085 0.000) 7.085 4.665 ( -0.000 -5.121 0.000) 5.121 6.318 ( 0.000 0.246 0.000) 0.246 7.040 ( -0.000 -0.437 0.000) 0.437 7.063 ( -0.000 -0.994 0.000) 0.994 7.671 ( 0.000 4.928 0.000) 4.928 7.810 ( 0.000 0.381 0.000) 0.381 7.828 ( 0.000 0.774 0.000) 0.774 8.009 ( -0.000 -5.163 0.000) 5.163 8.217 ( 0.000 0.306 0.000) 0.306 8.226 ( 0.000 0.415 0.000) 0.415 8.694 ( -0.000 -0.496 0.000) 0.496 8.713 ( 0.000 0.255 0.000) 0.255 9.256 ( -0.000 -2.440 0.000) 2.440 9.577 ( 0.000 2.537 0.000) 2.537 9.597 ( -0.000 -0.220 0.000) 0.220 9.908 ( 0.000 1.261 0.000) 1.261 10.309 ( -0.000 -0.131 0.000) 0.131======================= Grid point 77 (49/171) =======================q-point: (-0.64 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( -8.192 0.000 0.000) 8.192 1.583 ( -4.729 0.000 0.000) 4.729 2.065 ( -2.907 0.000 0.000) 2.907 2.147 ( 0.691 -0.000 0.000) 0.691 2.423 ( -7.708 0.000 0.000) 7.708 2.616 ( -2.163 0.000 0.000) 2.163 2.740 ( 8.797 -0.000 0.000) 8.797 2.788 ( -11.232 0.000 0.000) 11.232 2.936 ( 4.005 -0.000 0.000) 4.005 3.040 ( -5.421 0.000 0.000) 5.421 3.284 ( -8.124 0.000 0.000) 8.124 3.374 ( -5.184 0.000 0.000) 5.184 3.490 ( -9.159 0.000 0.000) 9.159 3.641 ( -2.545 0.000 0.000) 2.545 3.938 ( -10.997 0.000 0.000) 10.997 3.943 ( -6.212 0.000 0.000) 6.212 4.125 ( -9.838 0.000 0.000) 9.838 4.198 ( -3.549 0.000 0.000) 3.549 6.356 ( -6.674 0.000 0.000) 6.674 6.914 ( 10.651 -0.000 0.000) 10.651 7.293 ( -34.549 0.000 0.000) 34.549 7.300 ( 0.243 -0.000 0.000) 0.243 7.504 ( 4.627 -0.000 0.000) 4.627 7.523 ( 3.005 -0.000 0.000) 3.005 7.635 ( 5.501 -0.000 0.000) 5.501 7.755 ( -6.706 0.000 0.000) 6.706 8.255 ( 4.547 -0.000 0.000) 4.547 8.482 ( -16.766 0.000 0.000) 16.766 8.544 ( -0.403 0.000 0.000) 0.403 8.573 ( 3.935 -0.000 0.000) 3.935 8.942 ( -13.257 0.000 0.000) 13.257 9.208 ( 0.056 -0.000 0.000) 0.056 9.366 ( 5.514 -0.000 0.000) 5.514 9.366 ( -0.737 0.000 0.000) 0.737 9.421 ( 5.285 -0.000 0.000) 5.285 10.130 ( -1.056 0.000 0.000) 1.056======================= Grid point 79 (50/171) =======================q-point: (-0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.313 ( -11.791 0.184 0.000) 11.793 1.469 ( -5.953 1.293 0.000) 6.092 1.977 ( -5.922 -0.564 0.000) 5.948 2.154 ( -0.143 1.070 0.000) 1.080 2.224 ( -14.027 -2.259 0.000) 14.208 2.585 ( -1.688 -0.566 0.000) 1.780 2.609 ( -6.598 -0.876 0.000) 6.656 2.719 ( -7.792 -1.455 0.000) 7.927 2.896 ( -22.244 1.434 0.000) 22.290 2.975 ( -0.150 0.953 0.000) 0.965 3.093 ( 6.493 -1.188 0.000) 6.600 3.208 ( -20.128 0.048 0.000) 20.128 3.453 ( 5.540 0.185 0.000) 5.543 3.596 ( -5.933 2.584 0.000) 6.471 3.633 ( -13.409 -2.349 0.000) 13.614 3.711 ( -14.855 0.580 0.000) 14.866 4.008 ( -4.128 0.566 0.000) 4.167 4.229 ( 5.239 0.699 0.000) 5.286 6.260 ( -3.047 0.019 0.000) 3.047 6.476 ( -47.673 0.025 0.000) 47.673 7.069 ( 5.350 0.142 0.000) 5.352 7.295 ( -1.375 -0.060 0.000) 1.376 7.528 ( -20.440 -1.119 0.000) 20.471 7.582 ( 3.838 0.748 0.000) 3.910 7.622 ( 5.461 -0.115 0.000) 5.462 7.769 ( 7.282 -0.539 0.000) 7.301 8.131 ( -16.437 -1.491 0.000) 16.505 8.359 ( 4.863 0.102 0.000) 4.864 8.461 ( -6.022 0.025 0.000) 6.022 8.675 ( 3.610 0.244 0.000) 3.619 8.697 ( -10.125 -0.411 0.000) 10.133 9.209 ( 0.011 -0.377 0.000) 0.377 9.405 ( 4.679 0.741 0.000) 4.738 9.468 ( 4.908 0.264 0.000) 4.915 9.548 ( 7.573 -0.267 0.000) 7.577 10.141 ( 2.157 -0.043 0.000) 2.157======================= Grid point 80 (51/171) =======================q-point: (-0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( -14.526 0.977 0.000) 14.559 1.363 ( -2.242 7.609 0.000) 7.933 1.858 ( -6.339 -1.052 0.000) 6.426 1.886 ( -22.835 -4.460 0.000) 23.266 2.085 ( -8.272 2.751 0.000) 8.717 2.473 ( -16.731 0.978 0.000) 16.760 2.482 ( -7.668 0.133 0.000) 7.669 2.578 ( -1.920 -1.486 0.000) 2.428 2.596 ( -6.376 -5.886 0.000) 8.678 2.760 ( -19.636 1.736 0.000) 19.713 2.938 ( -3.906 -0.315 0.000) 3.919 3.211 ( 4.966 1.145 0.000) 5.096 3.296 ( -14.744 1.896 0.000) 14.866 3.376 ( -16.431 -2.126 0.000) 16.568 3.550 ( 4.422 0.234 0.000) 4.428 3.632 ( 1.290 -0.060 0.000) 1.291 3.950 ( -1.409 -0.652 0.000) 1.553 4.349 ( 7.163 2.280 0.000) 7.517 5.497 ( -51.149 0.295 0.000) 51.149 6.240 ( 0.910 -0.050 0.000) 0.912 6.852 ( -50.360 -7.374 0.000) 50.897 7.134 ( 0.175 -1.165 0.000) 1.179 7.229 ( -5.414 -0.043 0.000) 5.414 7.652 ( 4.050 1.939 0.000) 4.490 7.720 ( 4.447 -0.110 0.000) 4.448 7.880 ( 2.267 1.032 0.000) 2.491 7.941 ( -3.733 -3.105 0.000) 4.856 8.339 ( -5.839 0.101 0.000) 5.840 8.374 ( -4.784 -0.034 0.000) 4.784 8.601 ( 2.240 0.201 0.000) 2.249 8.726 ( 0.607 -0.280 0.000) 0.668 9.214 ( 0.175 -0.846 0.000) 0.863 9.507 ( 5.418 1.646 0.000) 5.662 9.547 ( 3.450 0.789 0.000) 3.539 9.708 ( 8.467 -0.049 0.000) 8.467 10.205 ( 3.931 -0.104 0.000) 3.932======================= Grid point 81 (52/171) =======================q-point: (-0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( -12.361 2.986 0.000) 12.716 1.224 ( -14.999 12.396 0.000) 19.458 1.470 ( -11.387 1.712 0.000) 11.515 1.748 ( -7.191 0.134 0.000) 7.192 1.806 ( -13.020 -0.590 0.000) 13.033 2.213 ( -15.147 -0.605 0.000) 15.160 2.292 ( -3.094 3.277 0.000) 4.507 2.516 ( -3.357 2.208 0.000) 4.018 2.555 ( -2.056 -8.666 0.000) 8.907 2.576 ( -2.515 2.793 0.000) 3.759 2.896 ( -0.508 -3.817 0.000) 3.850 3.055 ( -9.612 -1.260 0.000) 9.694 3.109 ( -11.705 -2.909 0.000) 12.061 3.272 ( 2.279 2.034 0.000) 3.054 3.617 ( 2.427 0.273 0.000) 2.442 3.667 ( 1.730 -0.621 0.000) 1.838 3.982 ( 5.199 -1.109 0.000) 5.316 4.458 ( 5.051 3.883 0.000) 6.371 4.600 ( -37.239 0.937 0.000) 37.251 5.680 ( -73.630 -15.071 0.000) 75.156 6.284 ( 2.953 0.024 0.000) 2.953 7.104 ( -3.685 -0.815 0.000) 3.774 7.106 ( -6.296 -0.153 0.000) 6.298 7.708 ( 2.734 3.194 0.000) 4.205 7.789 ( 2.462 -0.020 0.000) 2.462 7.853 ( -1.343 0.882 0.000) 1.607 7.952 ( -0.445 -3.416 0.000) 3.445 8.255 ( -2.589 0.211 0.000) 2.598 8.267 ( -4.570 0.122 0.000) 4.571 8.675 ( 3.596 0.225 0.000) 3.603 8.712 ( -1.663 -0.483 0.000) 1.732 9.224 ( 0.260 -1.323 0.000) 1.348 9.575 ( 2.312 1.078 0.000) 2.551 9.592 ( 1.693 1.391 0.000) 2.192 9.856 ( 6.327 0.621 0.000) 6.357 10.277 ( 2.955 -0.132 0.000) 2.958======================= Grid point 82 (53/171) =======================q-point: (-0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.609 ( 0.000 5.557 0.000) 5.557 0.882 ( 0.000 9.315 0.000) 9.315 1.379 ( 0.000 15.898 0.000) 15.898 1.602 ( 0.000 0.165 0.000) 0.165 1.736 ( -0.000 -0.826 0.000) 0.826 2.048 ( 0.000 0.236 0.000) 0.236 2.253 ( 0.000 1.696 0.000) 1.696 2.446 ( 0.000 3.211 0.000) 3.211 2.555 ( 0.000 3.590 0.000) 3.590 2.584 ( -0.000 -8.875 0.000) 8.875 2.931 ( -0.000 -3.017 0.000) 3.017 2.955 ( -0.000 -8.685 0.000) 8.685 2.995 ( -0.000 -0.556 0.000) 0.556 3.282 ( 0.000 2.629 0.000) 2.629 3.639 ( 0.000 0.350 0.000) 0.350 3.693 ( -0.000 -1.438 0.000) 1.438 4.190 ( -0.000 -0.020 0.000) 0.020 4.202 ( 0.000 1.584 0.000) 1.584 4.485 ( 0.000 5.166 0.000) 5.166 4.616 ( -0.000 -4.380 0.000) 4.380 6.320 ( 0.000 0.182 0.000) 0.182 7.036 ( -0.000 -0.355 0.000) 0.355 7.053 ( -0.000 -0.799 0.000) 0.799 7.717 ( 0.000 4.084 0.000) 4.084 7.813 ( 0.000 0.136 0.000) 0.136 7.837 ( 0.000 0.810 0.000) 0.810 7.961 ( -0.000 -4.182 0.000) 4.182 8.219 ( 0.000 0.247 0.000) 0.247 8.229 ( 0.000 0.328 0.000) 0.328 8.689 ( -0.000 -0.448 0.000) 0.448 8.715 ( 0.000 0.089 0.000) 0.089 9.235 ( -0.000 -1.755 0.000) 1.755 9.595 ( -0.000 -0.144 0.000) 0.144 9.600 ( 0.000 1.880 0.000) 1.880 9.919 ( 0.000 0.976 0.000) 0.976 10.308 ( -0.000 -0.137 0.000) 0.137======================= Grid point 93 (54/171) =======================q-point: (-0.57 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( -14.311 0.000 0.000) 14.311 1.405 ( -0.355 0.000 0.000) 0.355 1.852 ( -6.282 0.000 0.000) 6.282 1.861 ( -23.123 0.000 0.000) 23.123 2.100 ( -8.754 0.000 0.000) 8.754 2.483 ( -15.973 0.000 0.000) 15.973 2.483 ( -8.163 0.000 0.000) 8.163 2.560 ( -7.059 0.000 0.000) 7.059 2.570 ( -0.672 0.000 0.000) 0.672 2.769 ( -20.229 0.000 0.000) 20.229 2.937 ( -3.655 0.000 0.000) 3.655 3.217 ( 5.140 -0.000 0.000) 5.140 3.309 ( -15.314 0.000 0.000) 15.314 3.362 ( -16.666 0.000 0.000) 16.666 3.552 ( 4.395 -0.000 0.000) 4.395 3.632 ( 1.185 -0.000 0.000) 1.185 3.947 ( -1.695 0.000 0.000) 1.695 4.361 ( 7.310 -0.000 0.000) 7.310 5.499 ( -51.072 0.000 0.000) 51.072 6.240 ( 0.914 -0.000 0.000) 0.914 6.814 ( -52.494 0.000 0.000) 52.494 7.128 ( 0.769 -0.000 0.000) 0.769 7.229 ( -5.411 0.000 0.000) 5.411 7.663 ( 4.186 -0.000 0.000) 4.186 7.720 ( 4.444 -0.000 0.000) 4.444 7.888 ( 4.261 -0.000 0.000) 4.261 7.923 ( -5.456 0.000 0.000) 5.456 8.339 ( -5.845 0.000 0.000) 5.845 8.374 ( -4.752 0.000 0.000) 4.752 8.602 ( 2.213 -0.000 0.000) 2.213 8.724 ( 0.612 -0.000 0.000) 0.612 9.209 ( 0.156 -0.000 0.000) 0.156 9.515 ( 5.289 -0.000 0.000) 5.289 9.551 ( 3.508 -0.000 0.000) 3.508 9.708 ( 8.624 -0.000 0.000) 8.624 10.204 ( 3.929 -0.000 0.000) 3.929======================= Grid point 95 (55/171) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.789 ( -11.785 0.983 0.000) 11.826 1.320 ( -25.405 5.689 0.000) 26.034 1.470 ( 2.096 -0.913 0.000) 2.287 1.750 ( -4.467 0.170 0.000) 4.470 1.798 ( -16.582 -0.700 0.000) 16.597 2.209 ( -14.929 -0.192 0.000) 14.930 2.339 ( -1.485 4.731 0.000) 4.958 2.474 ( -3.045 -6.228 0.000) 6.933 2.533 ( -3.218 0.981 0.000) 3.364 2.596 ( -1.167 1.085 0.000) 1.593 2.871 ( -2.205 -1.234 0.000) 2.527 3.038 ( -12.114 -1.344 0.000) 12.188 3.094 ( -10.168 -0.400 0.000) 10.176 3.286 ( 2.279 0.694 0.000) 2.383 3.618 ( 2.404 0.078 0.000) 2.405 3.663 ( 1.526 -0.174 0.000) 1.536 3.974 ( 5.677 -0.437 0.000) 5.694 4.485 ( 5.163 1.340 0.000) 5.334 4.607 ( -37.045 0.336 0.000) 37.046 5.579 ( -71.319 -4.883 0.000) 71.486 6.284 ( 3.010 0.006 0.000) 3.010 7.099 ( -3.570 -0.286 0.000) 3.582 7.105 ( -6.361 -0.054 0.000) 6.361 7.732 ( 2.875 1.254 0.000) 3.137 7.788 ( 2.450 -0.125 0.000) 2.453 7.861 ( -1.531 0.529 0.000) 1.620 7.926 ( -0.294 -1.411 0.000) 1.441 8.256 ( -2.558 0.076 0.000) 2.559 8.268 ( -4.521 0.044 0.000) 4.521 8.677 ( 3.648 0.079 0.000) 3.649 8.708 ( -1.770 -0.193 0.000) 1.781 9.215 ( 0.241 -0.454 0.000) 0.514 9.582 ( 1.668 0.312 0.000) 1.697 9.601 ( 1.749 0.484 0.000) 1.815 9.861 ( 6.474 0.223 0.000) 6.478 10.276 ( 2.961 -0.052 0.000) 2.962======================= Grid point 96 (56/171) =======================q-point: (-0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.651 ( 0.000 2.687 0.000) 2.687 0.954 ( 0.000 4.745 0.000) 4.745 1.503 ( 0.000 8.385 0.000) 8.385 1.603 ( 0.000 0.091 0.000) 0.091 1.721 ( -0.000 -1.581 0.000) 1.581 2.050 ( 0.000 0.171 0.000) 0.171 2.297 ( 0.000 6.427 0.000) 6.427 2.475 ( 0.000 2.204 0.000) 2.204 2.492 ( -0.000 -9.137 0.000) 9.137 2.589 ( 0.000 2.847 0.000) 2.847 2.880 ( -0.000 -5.626 0.000) 5.626 2.901 ( -0.000 -2.492 0.000) 2.492 2.994 ( 0.000 0.078 0.000) 0.078 3.302 ( 0.000 1.348 0.000) 1.348 3.641 ( 0.000 0.143 0.000) 0.143 3.682 ( -0.000 -0.719 0.000) 0.719 4.190 ( -0.000 -0.004 0.000) 0.004 4.215 ( 0.000 0.879 0.000) 0.879 4.526 ( 0.000 2.828 0.000) 2.828 4.580 ( -0.000 -2.657 0.000) 2.657 6.321 ( 0.000 0.096 0.000) 0.096 7.034 ( -0.000 -0.199 0.000) 0.199 7.047 ( -0.000 -0.445 0.000) 0.445 7.751 ( 0.000 2.469 0.000) 2.469 7.813 ( -0.000 -0.142 0.000) 0.142 7.844 ( 0.000 0.686 0.000) 0.686 7.926 ( -0.000 -2.510 0.000) 2.510 8.221 ( 0.000 0.138 0.000) 0.138 8.232 ( 0.000 0.180 0.000) 0.180 8.686 ( -0.000 -0.251 0.000) 0.251 8.715 ( -0.000 -0.003 0.000) 0.003 9.221 ( -0.000 -0.916 0.000) 0.916 9.594 ( -0.000 -0.069 0.000) 0.069 9.614 ( 0.000 1.006 0.000) 1.006 9.927 ( 0.000 0.529 0.000) 0.529 10.306 ( -0.000 -0.090 0.000) 0.090======================= Grid point 110 (57/171) =======================q-point: ( 0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.664 ( 0.000 0.000 0.000) 0.000 0.978 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.354 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.679 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.764 ( 0.000 0.000 0.000) 0.000 7.812 ( -0.000 -0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 7.913 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 0.000) 0.000 9.593 ( 0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 9.930 ( 0.000 0.000 0.000) 0.000 10.306 ( -0.000 -0.000 0.000) 0.000======================= Grid point 205 (58/171) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.331 ( 0.000 0.000 17.182) 17.182 0.548 ( 0.000 0.000 25.095) 25.095 1.135 ( 0.000 0.000 52.132) 52.132 1.540 ( 0.000 0.000 -5.407) 5.407 1.552 ( 0.000 0.000 -14.552) 14.552 2.069 ( 0.000 0.000 2.167) 2.167 2.307 ( 0.000 0.000 -3.306) 3.306 2.479 ( 0.000 0.000 5.205) 5.205 2.903 ( 0.000 0.000 10.124) 10.124 2.926 ( 0.000 0.000 -7.894) 7.894 2.955 ( 0.000 0.000 1.556) 1.556 3.087 ( 0.000 0.000 -1.436) 1.436 3.307 ( 0.000 0.000 -1.911) 1.911 3.494 ( 0.000 0.000 -11.529) 11.529 3.779 ( 0.000 0.000 0.959) 0.959 3.871 ( 0.000 0.000 3.386) 3.386 4.035 ( 0.000 0.000 -1.350) 1.350 4.092 ( 0.000 0.000 -5.810) 5.810 4.148 ( 0.000 0.000 1.761) 1.761 4.200 ( 0.000 0.000 0.540) 0.540 7.049 ( 0.000 0.000 -0.309) 0.309 7.079 ( 0.000 0.000 -0.984) 0.984 7.489 ( 0.000 0.000 3.623) 3.623 7.760 ( 0.000 0.000 -2.965) 2.965 7.847 ( 0.000 0.000 3.424) 3.424 7.960 ( 0.000 0.000 2.790) 2.790 8.208 ( 0.000 0.000 0.012) 0.012 8.212 ( 0.000 0.000 -0.084) 0.084 8.519 ( 0.000 0.000 -2.206) 2.206 8.642 ( 0.000 0.000 -3.738) 3.738 8.872 ( 0.000 0.000 2.087) 2.087 9.079 ( 0.000 0.000 -2.622) 2.622 9.390 ( 0.000 0.000 3.286) 3.286 9.724 ( 0.000 0.000 -6.692) 6.692 9.993 ( 0.000 0.000 5.633) 5.633 10.276 ( 0.000 0.000 -3.172) 3.172======================= Grid point 206 (59/171) =======================q-point: ( 0.07 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.577 ( 18.963 -4.843 11.582) 22.742 0.933 ( 21.773 -2.228 21.572) 30.731 1.399 ( 27.734 -1.719 36.238) 45.666 1.610 ( 6.129 -0.551 -10.713) 12.355 1.725 ( 16.819 -0.088 -4.117) 17.316 2.223 ( 13.924 0.362 -1.185) 13.979 2.382 ( 7.080 -0.663 -3.142) 7.775 2.456 ( 0.351 0.195 4.582) 4.599 2.839 ( -1.505 8.111 8.500) 11.845 2.951 ( -0.581 -6.991 -3.765) 7.962 3.059 ( 7.435 0.612 6.191) 9.695 3.102 ( 0.648 1.166 -0.863) 1.589 3.206 ( -8.925 0.794 13.534) 16.232 3.320 ( 2.658 1.273 -1.602) 3.354 3.475 ( -1.898 -0.003 -10.901) 11.065 3.806 ( -2.688 2.725 1.313) 4.047 3.978 ( -4.435 -2.415 -3.558) 6.177 4.024 ( -3.383 -1.829 -7.514) 8.441 4.612 ( 38.931 -0.274 5.564) 39.327 5.518 ( 51.287 1.339 -39.646) 64.838 7.037 ( 0.750 0.539 -1.516) 1.775 7.103 ( 1.701 0.155 -1.672) 2.390 7.504 ( 0.760 -0.618 2.536) 2.718 7.742 ( -1.840 -0.046 -2.550) 3.144 7.832 ( -0.972 2.184 3.210) 4.002 7.933 ( -1.962 1.655 2.951) 3.911 8.239 ( 2.621 -0.036 0.048) 2.622 8.256 ( 4.725 -0.067 0.082) 4.726 8.509 ( 1.677 9.160 0.332) 9.318 8.626 ( -2.070 -1.058 -3.035) 3.823 8.765 ( -4.972 1.993 8.988) 10.463 9.093 ( -0.487 -5.396 -3.525) 6.464 9.382 ( -1.011 -0.441 2.876) 3.080 9.577 ( -8.708 0.302 2.117) 8.967 9.885 ( -6.215 -0.025 6.470) 8.971 10.246 ( -3.099 -0.479 -3.358) 4.594======================= Grid point 207 (60/171) =======================q-point: ( 0.14 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( 22.524 -2.500 8.119) 24.073 1.284 ( 15.499 -1.862 24.941) 29.424 1.768 ( 9.622 -0.533 -4.995) 10.855 2.019 ( 27.151 -1.088 12.982) 30.115 2.070 ( 16.432 0.277 -1.457) 16.499 2.456 ( 6.673 0.726 1.860) 6.965 2.557 ( 9.077 -1.691 -2.528) 9.573 2.610 ( 18.437 0.512 -3.844) 18.840 2.804 ( 1.449 4.154 7.430) 8.635 2.991 ( 1.969 -1.493 -4.801) 5.400 3.053 ( -0.687 2.875 2.201) 3.685 3.110 ( 1.385 -0.239 10.687) 10.779 3.321 ( 12.582 1.425 1.053) 12.707 3.406 ( 1.607 0.106 -4.378) 4.665 3.441 ( 2.882 -0.297 -5.063) 5.833 3.735 ( -2.484 2.485 1.052) 3.668 3.902 ( -4.420 -1.967 -1.383) 5.032 3.975 ( -2.632 -4.287 -9.205) 10.489 5.520 ( 50.859 -0.108 4.364) 51.046 6.102 ( 16.403 0.609 -11.982) 20.322 7.099 ( 2.218 1.409 -4.162) 4.922 7.119 ( 2.673 -0.476 -5.061) 5.743 7.513 ( -0.315 -1.341 2.498) 2.853 7.691 ( -3.389 -0.028 -1.429) 3.678 7.795 ( -0.801 4.434 3.050) 5.441 7.878 ( -3.405 -0.701 1.717) 3.877 8.306 ( 4.157 0.330 0.230) 4.176 8.365 ( 4.581 -0.155 -0.710) 4.638 8.522 ( 4.647 8.445 2.451) 9.946 8.573 ( -1.731 -0.565 -0.039) 1.821 8.741 ( 1.768 0.629 4.762) 5.118 9.120 ( 0.724 -5.253 -3.466) 6.335 9.356 ( -1.525 0.747 2.140) 2.732 9.458 ( -4.705 -1.325 0.638) 4.929 9.759 ( -6.845 -0.087 4.712) 8.311 10.173 ( -4.235 -0.321 -3.840) 5.726======================= Grid point 208 (61/171) =======================q-point: ( 0.21 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 20.141 0.593 5.882) 20.991 1.569 ( 12.949 -1.229 22.840) 26.284 1.957 ( 8.978 -0.416 -0.642) 9.011 2.217 ( 3.429 5.547 -0.915) 6.585 2.407 ( 9.541 -2.221 -0.839) 9.832 2.611 ( 8.947 -0.516 0.374) 8.970 2.716 ( 5.966 -1.367 -2.746) 6.708 2.786 ( -0.250 -1.022 5.720) 5.816 2.922 ( -1.706 4.790 -0.929) 5.169 2.990 ( 11.348 2.251 3.759) 12.164 3.188 ( 13.287 1.275 -4.090) 13.961 3.235 ( 9.358 -0.765 4.584) 10.448 3.357 ( -2.093 0.578 -5.292) 5.720 3.538 ( 6.486 0.881 -0.860) 6.601 3.618 ( 14.615 -1.012 1.733) 14.752 3.716 ( 1.396 -1.094 1.731) 2.479 3.844 ( -2.158 -3.533 -0.412) 4.160 3.990 ( 2.927 -2.752 -8.508) 9.409 6.319 ( 8.593 0.018 5.045) 9.965 6.474 ( 45.065 -0.006 0.290) 45.066 7.044 ( -4.422 -0.198 -0.979) 4.534 7.233 ( 5.661 0.183 -5.908) 8.185 7.507 ( -1.082 -1.282 2.407) 2.934 7.610 ( -5.021 -0.176 -0.508) 5.050 7.753 ( -2.273 2.771 2.822) 4.562 7.826 ( -0.999 -0.063 0.957) 1.385 8.343 ( -5.073 -0.383 -0.019) 5.087 8.389 ( 3.534 -0.290 -0.086) 3.547 8.574 ( 2.666 2.303 0.953) 3.649 8.655 ( 7.495 -0.004 -0.089) 7.495 8.807 ( 7.437 5.300 3.255) 9.695 9.177 ( 2.776 -3.593 -2.865) 5.369 9.317 ( -1.733 1.811 1.070) 2.725 9.388 ( -3.574 -1.941 -0.611) 4.113 9.626 ( -6.723 0.054 4.426) 8.050 10.102 ( -2.765 -0.096 -4.622) 5.387======================= Grid point 209 (62/171) =======================q-point: ( 0.29 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.746 ( 11.616 3.368 4.382) 12.863 1.794 ( 9.728 -0.525 23.101) 25.071 2.100 ( 5.288 0.160 1.301) 5.448 2.202 ( -1.295 4.786 -0.257) 4.965 2.461 ( -5.463 -5.741 -3.987) 8.871 2.706 ( 1.930 1.989 3.489) 4.456 2.792 ( 0.783 -1.079 -1.583) 2.070 2.842 ( -0.966 4.318 -2.144) 4.917 2.859 ( 8.363 3.054 -3.210) 9.465 3.160 ( 7.001 2.875 6.529) 9.996 3.262 ( -2.906 -0.156 -3.370) 4.452 3.412 ( 6.009 -1.140 0.820) 6.171 3.479 ( 13.010 2.219 -1.920) 13.337 3.605 ( 2.710 0.441 -3.074) 4.122 3.746 ( 0.290 -4.917 1.526) 5.157 3.870 ( 1.274 -8.021 -1.522) 8.263 3.985 ( 18.746 -0.104 0.738) 18.761 4.123 ( 10.149 0.635 -4.458) 11.103 6.474 ( 7.725 -0.176 10.035) 12.665 6.878 ( -6.504 -0.065 -2.622) 7.013 7.278 ( 27.768 0.086 -0.822) 27.780 7.322 ( 3.924 0.291 -0.709) 3.998 7.480 ( -1.936 -1.021 2.565) 3.372 7.520 ( -1.225 -0.151 0.220) 1.254 7.688 ( -2.568 0.626 4.314) 5.059 7.847 ( 2.796 1.287 0.472) 3.114 8.235 ( -5.536 -0.752 1.327) 5.742 8.434 ( 0.050 -1.379 -2.013) 2.440 8.580 ( -0.697 0.242 1.998) 2.130 8.792 ( 7.100 2.724 0.538) 7.623 8.974 ( 10.637 3.496 -0.199) 11.199 9.245 ( 1.478 0.675 -1.730) 2.374 9.291 ( 1.433 -0.753 0.269) 1.641 9.338 ( -2.180 -0.771 -0.315) 2.334 9.504 ( -5.731 0.085 4.410) 7.232 10.079 ( 0.470 0.041 -5.623) 5.643======================= Grid point 210 (63/171) =======================q-point: ( 0.36 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( -1.929 4.055 3.562) 5.731 1.952 ( 6.350 -0.020 25.150) 25.940 2.087 ( -7.230 1.928 -2.199) 7.799 2.182 ( 1.308 0.053 3.569) 3.801 2.340 ( -6.859 -4.297 -1.154) 8.176 2.705 ( -0.338 3.743 1.123) 3.922 2.780 ( -0.598 -0.132 -0.369) 0.715 2.862 ( 3.960 5.033 -1.637) 6.610 3.021 ( 9.537 2.893 -5.360) 11.316 3.189 ( -2.880 0.158 -0.399) 2.912 3.273 ( 4.377 1.459 3.345) 5.699 3.508 ( 4.144 -1.326 1.176) 4.507 3.651 ( 2.683 -0.531 -5.727) 6.346 3.677 ( 6.191 0.352 -3.159) 6.959 3.790 ( 2.201 -4.109 1.981) 5.065 3.919 ( -0.852 -7.869 -3.969) 8.854 4.246 ( 9.689 2.994 1.303) 10.224 4.386 ( 14.303 -1.438 -2.116) 14.530 6.622 ( 7.317 -0.080 8.284) 11.053 6.711 ( -9.364 0.483 0.643) 9.399 7.325 ( -3.147 0.132 -0.972) 3.296 7.371 ( -3.729 0.061 -3.111) 4.856 7.478 ( 2.427 0.041 10.088) 10.376 7.633 ( -0.784 0.224 4.899) 4.966 7.896 ( 17.970 0.328 -0.558) 17.981 7.907 ( 7.684 0.862 -0.214) 7.735 8.148 ( -3.808 -1.144 1.875) 4.396 8.407 ( -2.775 -0.954 -2.697) 3.985 8.568 ( -0.550 -0.226 3.338) 3.391 8.886 ( 3.415 2.432 -2.862) 5.076 9.129 ( 5.727 1.550 -1.163) 6.046 9.251 ( 1.293 1.670 0.819) 2.265 9.302 ( -0.386 0.247 0.685) 0.824 9.380 ( 4.397 -0.807 -0.664) 4.519 9.411 ( -3.297 -0.245 4.179) 5.329 10.114 ( 2.806 0.041 -6.330) 6.924======================= Grid point 211 (64/171) =======================q-point: ( 0.43 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( -8.198 2.507 3.825) 9.387 1.894 ( -9.568 -0.662 -0.418) 9.600 2.048 ( 3.121 0.053 25.625) 25.814 2.195 ( 0.348 0.828 2.987) 3.120 2.276 ( -1.787 -1.642 -0.324) 2.448 2.674 ( -0.675 3.159 1.205) 3.448 2.782 ( 0.762 0.787 -0.554) 1.228 2.914 ( 2.959 2.850 0.401) 4.128 3.133 ( -2.399 -0.157 0.817) 2.539 3.188 ( 8.006 0.652 -5.261) 9.602 3.328 ( 1.529 1.091 -0.349) 1.911 3.591 ( 4.149 1.590 1.007) 4.556 3.690 ( 0.925 -1.791 -3.810) 4.310 3.737 ( 0.119 -3.093 -1.828) 3.594 3.861 ( 3.129 0.066 -1.064) 3.306 3.918 ( -2.311 -5.053 -6.843) 8.815 4.376 ( 5.126 1.943 3.135) 6.315 4.611 ( 7.719 -0.911 -2.512) 8.168 6.545 ( -6.569 0.703 2.691) 7.134 6.748 ( 5.294 0.131 3.546) 6.374 7.243 ( -4.322 -0.299 -1.016) 4.450 7.312 ( -2.062 0.094 -3.392) 3.970 7.538 ( 2.978 0.549 17.833) 18.088 7.623 ( -0.113 0.052 5.955) 5.956 7.957 ( 2.294 1.189 -1.770) 3.132 8.100 ( -1.822 -1.340 2.360) 3.269 8.226 ( 10.872 0.099 -2.233) 11.099 8.366 ( -1.021 -0.336 -1.356) 1.731 8.557 ( -0.734 -0.486 2.534) 2.683 8.902 ( -0.120 1.137 -6.678) 6.775 9.186 ( 1.352 0.977 1.985) 2.592 9.243 ( -0.898 1.110 -0.233) 1.447 9.329 ( 1.901 0.136 0.807) 2.070 9.381 ( 0.418 -0.399 5.468) 5.499 9.466 ( 3.192 -0.212 -1.745) 3.644 10.169 ( 2.384 0.009 -6.593) 7.011======================= Grid point 212 (65/171) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( 0.000 -0.000 4.380) 4.380 1.791 ( 0.000 -0.000 -0.774) 0.774 2.079 ( 0.000 -0.000 26.521) 26.521 2.195 ( 0.000 0.000 3.123) 3.123 2.266 ( 0.000 -0.000 -0.248) 0.248 2.658 ( 0.000 -0.000 1.391) 1.391 2.789 ( 0.000 -0.000 -0.832) 0.832 2.937 ( 0.000 -0.000 1.745) 1.745 3.107 ( 0.000 -0.000 0.953) 0.953 3.299 ( -0.000 0.000 -3.863) 3.863 3.312 ( 0.000 -0.000 -3.811) 3.811 3.632 ( -0.000 -0.000 0.267) 0.267 3.705 ( 0.000 -0.000 0.202) 0.202 3.742 ( 0.000 -0.000 -1.329) 1.329 3.894 ( -0.000 -0.000 -2.015) 2.015 3.902 ( 0.000 0.000 -9.848) 9.848 4.422 ( 0.000 -0.000 3.744) 3.744 4.688 ( -0.000 -0.000 -2.729) 2.729 6.476 ( 0.000 -0.000 3.421) 3.421 6.805 ( -0.000 -0.000 0.575) 0.575 7.195 ( 0.000 -0.000 0.040) 0.040 7.292 ( 0.000 -0.000 -3.489) 3.489 7.568 ( 0.000 -0.000 20.937) 20.937 7.623 ( 0.000 -0.000 6.205) 6.205 7.976 ( 0.000 0.000 -3.128) 3.128 8.088 ( -0.000 -0.000 2.971) 2.971 8.307 ( 0.000 -0.000 -3.231) 3.231 8.383 ( 0.000 -0.000 0.261) 0.261 8.549 ( 0.000 -0.000 1.684) 1.684 8.895 ( 0.000 -0.000 -7.727) 7.727 9.192 ( 0.000 -0.000 2.592) 2.592 9.228 ( 0.000 -0.000 -0.110) 0.110 9.353 ( 0.000 -0.000 1.391) 1.391 9.389 ( 0.000 -0.000 4.710) 4.710 9.498 ( 0.000 -0.000 -1.802) 1.802 10.193 ( 0.000 -0.000 -6.646) 6.646======================= Grid point 221 (66/171) =======================q-point: ( 0.07 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( 23.668 -0.000 8.350) 25.098 1.274 ( 15.862 -0.000 24.786) 29.427 1.765 ( 9.688 -0.000 -4.685) 10.761 2.012 ( 28.938 -0.000 14.518) 32.375 2.073 ( 15.954 -0.000 -2.661) 16.175 2.461 ( 5.882 -0.000 1.847) 6.165 2.548 ( 9.144 -0.000 -2.705) 9.536 2.613 ( 18.789 -0.000 -3.883) 19.186 2.827 ( -1.020 0.000 8.291) 8.354 2.979 ( 5.447 -0.000 -5.912) 8.039 3.076 ( -2.960 0.000 -1.289) 3.228 3.104 ( 2.176 -0.000 14.366) 14.529 3.329 ( 13.010 -0.000 1.139) 13.060 3.407 ( 1.686 -0.000 -4.251) 4.573 3.439 ( 2.074 -0.000 -5.254) 5.648 3.750 ( -3.393 0.000 1.747) 3.816 3.889 ( -3.809 0.000 -2.422) 4.514 3.953 ( -2.654 0.000 -9.005) 9.388 5.519 ( 50.922 -0.000 4.431) 51.115 6.105 ( 16.051 -0.000 -11.828) 19.938 7.109 ( -1.622 0.000 -2.292) 2.808 7.114 ( 6.207 -0.000 -7.127) 9.451 7.506 ( -0.235 0.000 2.544) 2.555 7.691 ( -3.410 0.000 -1.507) 3.728 7.820 ( -0.626 0.000 2.180) 2.268 7.872 ( -4.323 0.000 1.802) 4.683 8.308 ( 4.192 -0.000 -0.026) 4.192 8.365 ( 4.520 -0.000 -0.718) 4.576 8.569 ( 1.845 -0.000 -1.853) 2.615 8.570 ( -1.598 0.000 -0.093) 1.601 8.745 ( 3.190 -0.000 7.542) 8.189 9.089 ( 1.411 -0.000 -2.058) 2.495 9.360 ( -1.058 0.000 1.735) 2.032 9.451 ( -5.016 0.000 1.021) 5.119 9.759 ( -6.802 0.000 4.691) 8.263 10.171 ( -4.141 0.000 -3.964) 5.733======================= Grid point 222 (67/171) =======================q-point: ( 0.14 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( 21.245 0.307 6.093) 22.103 1.561 ( 13.325 -0.456 22.538) 26.186 1.954 ( 9.048 -0.182 0.264) 9.053 2.265 ( 4.534 3.187 -1.955) 5.877 2.383 ( 7.840 -1.911 -0.837) 8.113 2.605 ( 9.370 -0.517 1.473) 9.499 2.704 ( 6.209 -0.767 -2.724) 6.823 2.780 ( 0.508 -0.189 5.332) 5.360 2.962 ( -4.201 2.515 -1.688) 5.179 3.005 ( 13.749 0.684 3.630) 14.236 3.196 ( 12.967 0.385 -4.395) 13.696 3.228 ( 9.816 -0.474 5.265) 11.148 3.361 ( -2.106 0.168 -4.888) 5.325 3.546 ( 5.020 0.492 -1.198) 5.185 3.612 ( 16.127 -0.160 1.604) 16.208 3.707 ( -0.114 -0.476 1.806) 1.871 3.816 ( -4.050 -1.698 -0.025) 4.392 3.971 ( 4.917 -0.892 -8.750) 10.077 6.320 ( 8.401 0.005 5.076) 9.815 6.474 ( 45.194 -0.006 0.366) 45.196 7.042 ( -4.557 -0.067 -1.065) 4.680 7.234 ( 5.546 0.049 -5.916) 8.109 7.498 ( -0.834 -0.461 2.518) 2.692 7.608 ( -5.034 -0.058 -0.542) 5.064 7.775 ( -4.479 1.318 2.528) 5.309 7.823 ( 0.595 -0.347 1.149) 1.340 8.341 ( -5.333 -0.139 0.001) 5.335 8.386 ( 3.350 -0.145 -0.775) 3.442 8.589 ( 0.495 0.714 -0.491) 0.998 8.655 ( 8.342 -0.004 -0.029) 8.342 8.850 ( 7.759 2.636 3.508) 8.914 9.146 ( 3.884 -1.920 -1.685) 4.649 9.337 ( -1.313 1.799 0.624) 2.313 9.368 ( -3.785 -1.777 -0.271) 4.190 9.626 ( -6.686 0.020 4.293) 7.946 10.101 ( -2.679 -0.039 -4.720) 5.428======================= Grid point 223 (68/171) =======================q-point: ( 0.21 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( 12.232 2.007 4.830) 13.303 1.790 ( 10.061 -0.317 22.500) 24.648 2.099 ( 5.653 -0.162 2.488) 6.178 2.257 ( -2.132 5.756 -1.255) 6.265 2.400 ( -6.363 -6.060 -3.327) 9.396 2.720 ( 3.290 1.029 3.367) 4.818 2.772 ( -0.368 -1.985 -0.990) 2.249 2.886 ( 4.485 2.877 -3.396) 6.319 2.888 ( 4.944 2.764 -3.881) 6.866 3.188 ( 6.820 2.284 7.127) 10.125 3.262 ( -2.885 0.215 -2.819) 4.039 3.401 ( 5.770 -1.057 1.088) 5.966 3.497 ( 12.332 1.174 -2.447) 12.627 3.612 ( 3.053 0.811 -3.438) 4.669 3.713 ( -0.183 -1.161 1.426) 1.848 3.791 ( 0.233 -7.298 -1.067) 7.379 3.984 ( 19.616 -0.064 0.720) 19.629 4.129 ( 10.151 0.392 -4.446) 11.089 6.473 ( 7.724 -0.102 10.048) 12.674 6.878 ( -6.424 -0.038 -2.584) 6.925 7.279 ( 28.414 0.070 -0.909) 28.429 7.324 ( 3.690 0.143 -0.700) 3.758 7.472 ( -1.832 -0.569 2.597) 3.229 7.519 ( -1.162 -0.075 0.185) 1.179 7.693 ( -2.948 0.392 4.432) 5.337 7.857 ( 2.733 0.653 0.541) 2.861 8.230 ( -5.579 -0.366 1.116) 5.701 8.423 ( -0.074 -0.772 -2.171) 2.305 8.582 ( -0.774 0.133 1.915) 2.070 8.811 ( 7.278 1.143 -0.685) 7.399 9.007 ( 9.219 2.672 0.415) 9.607 9.246 ( 4.709 -0.375 -1.665) 5.009 9.288 ( -1.260 0.216 0.625) 1.423 9.331 ( -1.560 -0.708 -0.041) 1.713 9.504 ( -5.784 0.041 4.176) 7.134 10.079 ( 0.491 0.021 -5.643) 5.665======================= Grid point 224 (69/171) =======================q-point: ( 0.29 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( -2.510 2.856 3.275) 5.018 1.951 ( 6.524 -0.050 24.989) 25.826 2.107 ( -9.947 1.886 -2.098) 10.339 2.183 ( 1.887 0.031 3.406) 3.895 2.299 ( -4.617 -3.445 -0.830) 5.820 2.731 ( -0.246 1.343 0.295) 1.397 2.783 ( 0.937 0.756 0.604) 1.347 2.907 ( 2.687 3.555 -2.062) 4.910 3.051 ( 8.635 2.796 -5.693) 10.714 3.193 ( -3.160 0.513 0.184) 3.207 3.289 ( 4.206 1.718 3.745) 5.888 3.498 ( 5.104 -0.539 1.258) 5.284 3.633 ( 1.400 -3.352 -3.842) 5.288 3.681 ( 3.264 1.053 -4.100) 5.345 3.764 ( 5.690 -1.027 0.639) 5.817 3.841 ( 0.042 -7.180 -3.219) 7.869 4.278 ( 10.184 3.282 0.301) 10.704 4.368 ( 13.869 -2.171 -1.704) 14.141 6.621 ( 7.412 -0.062 8.420) 11.218 6.715 ( -9.132 0.302 0.629) 9.159 7.327 ( -3.481 0.090 -1.155) 3.669 7.372 ( -3.741 0.033 -3.137) 4.882 7.479 ( 3.007 0.062 10.182) 10.617 7.635 ( -0.899 0.170 4.971) 5.055 7.897 ( 21.658 0.044 -0.529) 21.664 7.916 ( 4.011 0.747 -0.207) 4.085 8.139 ( -3.945 -0.719 1.795) 4.393 8.398 ( -2.376 -0.737 -2.652) 3.636 8.566 ( -0.765 -0.071 3.338) 3.425 8.906 ( 2.750 1.432 -3.935) 5.010 9.144 ( 5.137 1.324 -0.338) 5.315 9.268 ( 1.561 1.588 1.394) 2.627 9.303 ( -0.753 -0.071 0.652) 0.999 9.372 ( 5.225 -0.766 -1.090) 5.392 9.408 ( -3.733 -0.229 4.180) 5.609 10.114 ( 2.790 0.029 -6.317) 6.906======================= Grid point 225 (70/171) =======================q-point: ( 0.36 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( -9.184 2.077 3.154) 9.930 1.887 ( -9.711 -0.526 -0.433) 9.735 2.049 ( 3.168 0.064 25.755) 25.949 2.204 ( 0.302 0.961 2.598) 2.787 2.259 ( -1.043 -1.677 -0.006) 1.974 2.710 ( -1.012 3.638 1.153) 3.949 2.790 ( 0.480 0.754 0.060) 0.896 2.936 ( 1.299 1.534 0.220) 2.022 3.132 ( -2.597 -0.011 1.214) 2.867 3.194 ( 6.773 0.466 -5.317) 8.623 3.339 ( 1.228 0.915 0.049) 1.532 3.613 ( 6.184 2.382 0.511) 6.647 3.660 ( 0.029 -3.856 -1.270) 4.060 3.716 ( 0.912 -0.846 -3.012) 3.258 3.856 ( 0.083 -4.470 -4.087) 6.058 3.871 ( 2.641 -0.879 -4.673) 5.439 4.405 ( 4.905 3.338 2.105) 6.295 4.596 ( 7.778 -1.984 -2.112) 8.301 6.551 ( -6.755 0.489 2.650) 7.273 6.749 ( 5.349 0.099 3.754) 6.535 7.240 ( -4.355 -0.231 -1.012) 4.477 7.313 ( -2.056 0.092 -3.435) 4.004 7.543 ( 2.881 0.441 17.743) 17.981 7.624 ( -0.153 0.062 5.973) 5.975 7.968 ( 2.035 0.959 -2.060) 3.050 8.088 ( -1.564 -1.020 2.666) 3.255 8.227 ( 10.935 0.069 -2.164) 11.147 8.362 ( -0.872 -0.373 -1.418) 1.706 8.553 ( -0.645 -0.292 2.628) 2.722 8.912 ( -0.722 0.788 -7.224) 7.303 9.196 ( 0.981 0.898 2.574) 2.898 9.253 ( -1.431 0.876 -0.101) 1.681 9.330 ( 1.731 0.111 0.632) 1.846 9.377 ( 0.632 -0.317 5.382) 5.429 9.463 ( 3.378 -0.206 -1.726) 3.799 10.169 ( 2.376 0.011 -6.583) 6.998======================= Grid point 226 (71/171) =======================q-point: ( 0.43 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.580 ( -1.317 0.270 4.306) 4.511 1.792 ( 0.615 0.100 -0.802) 1.015 2.079 ( -0.046 0.043 26.608) 26.608 2.195 ( -0.607 -0.035 2.865) 2.928 2.265 ( 0.787 -0.186 -0.087) 0.813 2.668 ( -1.312 1.993 1.398) 2.766 2.788 ( -0.616 -0.235 -0.661) 0.933 2.930 ( -1.919 -1.232 1.670) 2.826 3.107 ( 0.270 0.058 0.958) 0.996 3.290 ( 1.277 -1.517 -3.846) 4.327 3.315 ( -2.401 0.338 -3.692) 4.417 3.629 ( -2.038 -0.145 0.794) 2.192 3.710 ( 1.476 0.435 -1.181) 1.939 3.748 ( 2.842 1.379 -0.782) 3.254 3.873 ( 0.258 -2.864 -6.388) 7.006 3.912 ( 1.704 0.834 -4.894) 5.248 4.435 ( -0.309 2.410 3.138) 3.969 4.681 ( 0.106 -1.374 -2.567) 2.914 6.475 ( -0.500 -0.103 3.437) 3.475 6.805 ( -0.158 0.004 0.575) 0.596 7.195 ( 0.263 -0.030 0.049) 0.269 7.292 ( -0.054 0.050 -3.502) 3.503 7.568 ( -0.377 0.004 20.959) 20.963 7.623 ( -0.004 0.034 6.174) 6.174 7.974 ( -0.909 -0.226 -3.008) 3.150 8.089 ( 1.056 0.284 2.844) 3.047 8.306 ( -0.106 -0.068 -3.215) 3.217 8.383 ( 0.106 -0.054 0.269) 0.294 8.549 ( 0.378 0.063 1.670) 1.713 8.895 ( -0.566 -0.029 -7.718) 7.738 9.192 ( -0.561 -0.046 2.581) 2.642 9.228 ( -0.616 -0.006 -0.108) 0.625 9.353 ( -0.015 -0.011 1.396) 1.396 9.390 ( 0.225 0.084 4.702) 4.708 9.498 ( 0.075 -0.007 -1.801) 1.802 10.193 ( 0.001 0.006 -6.645) 6.645======================= Grid point 227 (72/171) =======================q-point: (-0.50 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.657 ( 6.971 -2.382 4.535) 8.651 1.900 ( 9.328 0.675 -0.371) 9.360 2.048 ( -3.074 -0.016 25.545) 25.729 2.187 ( -0.383 -0.717 3.071) 3.177 2.292 ( 2.730 1.429 -0.464) 3.116 2.649 ( -0.512 -1.641 1.171) 2.080 2.773 ( -0.976 -1.084 -1.092) 1.822 2.880 ( -4.263 -3.571 0.557) 5.589 3.135 ( 2.179 0.301 0.417) 2.239 3.180 ( -8.624 -0.912 -5.073) 10.047 3.317 ( -1.513 -1.097 -0.701) 1.996 3.583 ( -2.552 0.063 1.397) 2.910 3.701 ( -1.653 0.511 -4.382) 4.712 3.764 ( -1.258 1.634 -3.699) 4.235 3.869 ( -0.831 1.747 0.469) 1.991 3.958 ( 3.631 2.741 -5.774) 7.351 4.369 ( -5.504 0.698 3.179) 6.394 4.613 ( -7.567 -0.442 -2.624) 8.021 6.537 ( 6.374 -0.807 2.766) 6.995 6.747 ( -5.242 -0.140 3.317) 6.205 7.246 ( 4.317 0.314 -1.023) 4.448 7.311 ( 2.040 -0.071 -3.367) 3.937 7.532 ( -3.084 -0.552 17.975) 18.246 7.623 ( 0.063 -0.022 5.892) 5.892 7.945 ( -2.517 -1.182 -1.471) 3.146 8.115 ( 2.063 1.423 2.029) 3.224 8.225 ( -10.795 -0.116 -2.313) 11.041 8.368 ( 1.151 0.183 -1.211) 1.681 8.563 ( 0.901 0.645 2.367) 2.613 8.890 ( -0.689 -1.331 -5.994) 6.178 9.177 ( -1.606 -0.797 1.253) 2.187 9.231 ( 0.355 -1.147 -0.329) 1.245 9.327 ( -2.059 -0.139 0.979) 2.285 9.385 ( -0.278 0.401 5.545) 5.567 9.468 ( -3.042 0.169 -1.765) 3.521 10.169 ( -2.395 -0.003 -6.603) 7.024======================= Grid point 228 (73/171) =======================q-point: (-0.43 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.778 ( 1.323 -4.466 3.947) 6.105 1.952 ( -6.131 -0.010 25.412) 26.141 2.069 ( 5.047 -1.576 -2.381) 5.799 2.182 ( -0.699 -0.052 3.685) 3.751 2.384 ( 8.690 4.407 -1.386) 9.842 2.661 ( -0.259 -4.690 1.533) 4.941 2.776 ( 0.185 -2.180 -1.460) 2.630 2.815 ( -3.182 -2.920 -1.065) 4.448 2.995 ( -10.197 -2.227 -5.045) 11.592 3.190 ( 2.635 0.263 -0.804) 2.767 3.259 ( -4.435 -1.146 2.985) 5.468 3.525 ( -3.206 1.923 0.893) 3.843 3.655 ( -2.632 0.295 -5.129) 5.773 3.666 ( -8.761 -1.605 -3.377) 9.526 3.840 ( -0.252 5.358 1.864) 5.678 3.994 ( 1.850 6.340 -4.290) 7.875 4.221 ( -9.764 -1.541 2.075) 10.101 4.397 ( -14.433 0.533 -2.350) 14.633 6.623 ( -7.198 0.075 8.109) 10.843 6.705 ( 9.679 -0.601 0.675) 9.721 7.324 ( 2.691 -0.142 -0.712) 2.787 7.370 ( 3.716 -0.091 -3.079) 4.827 7.478 ( -1.660 0.020 9.948) 10.085 7.630 ( 0.657 -0.217 4.795) 4.844 7.888 ( -7.205 -1.141 -0.397) 7.305 7.901 ( -18.482 -0.235 -0.373) 18.487 8.162 ( 3.668 1.403 1.911) 4.367 8.416 ( 3.311 0.878 -2.655) 4.334 8.571 ( 0.257 0.502 3.235) 3.284 8.857 ( -4.432 -3.206 -1.508) 5.674 9.114 ( -6.190 -1.265 -2.185) 6.684 9.234 ( -0.995 -1.553 0.321) 1.872 9.299 ( 0.128 -0.386 0.702) 0.811 9.388 ( -3.767 0.666 -0.436) 3.850 9.413 ( 2.869 0.161 4.292) 5.165 10.114 ( -2.827 -0.043 -6.347) 6.949======================= Grid point 229 (74/171) =======================q-point: (-0.36 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( -10.558 -3.844 4.042) 11.941 1.800 ( -9.306 0.603 23.660) 25.432 2.091 ( -4.195 -1.917 -1.478) 4.843 2.167 ( -0.426 -1.805 2.012) 2.736 2.512 ( 3.261 4.169 -4.156) 6.730 2.677 ( -0.269 -3.659 2.733) 4.575 2.760 ( -2.542 -6.115 -2.476) 7.070 2.826 ( -3.781 -1.284 -1.464) 4.253 2.844 ( 0.387 1.628 -1.187) 2.052 3.135 ( -7.530 -2.081 6.450) 10.131 3.264 ( 3.247 0.184 -4.328) 5.413 3.422 ( -8.525 0.336 -0.508) 8.547 3.456 ( -12.104 -1.948 -0.397) 12.267 3.605 ( -2.260 0.396 -2.553) 3.432 3.803 ( -0.893 5.757 1.311) 5.972 3.950 ( -3.121 7.361 -1.666) 8.167 3.986 ( -17.066 0.061 0.732) 17.081 4.117 ( -9.898 -0.524 -4.548) 10.905 6.476 ( -7.730 0.205 10.010) 12.649 6.879 ( 6.635 0.077 -2.683) 7.158 7.277 ( -26.987 -0.032 -0.734) 26.997 7.318 ( -4.186 -0.423 -0.675) 4.261 7.492 ( 2.093 1.256 2.488) 3.485 7.522 ( 1.378 0.221 0.290) 1.426 7.681 ( 2.134 -0.615 4.129) 4.688 7.831 ( -3.002 -1.817 0.421) 3.534 8.245 ( 5.464 1.077 1.611) 5.798 8.450 ( -0.269 1.765 -1.743) 2.495 8.577 ( 0.570 -0.303 2.123) 2.219 8.755 ( -7.281 -4.564 2.362) 8.912 8.942 ( -11.698 -2.659 -1.354) 12.073 9.234 ( -0.120 -1.287 -1.391) 1.899 9.301 ( -1.745 1.108 -0.567) 2.143 9.345 ( 2.313 0.543 -0.650) 2.463 9.503 ( 5.673 -0.126 4.750) 7.400 10.078 ( -0.448 -0.058 -5.598) 5.616======================= Grid point 230 (75/171) =======================q-point: (-0.29 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( -18.010 -0.192 5.385) 18.799 1.584 ( -12.298 1.667 23.394) 26.483 1.960 ( -8.814 0.084 -2.488) 9.159 2.163 ( -2.838 -4.791 0.382) 5.581 2.421 ( -10.824 0.392 -0.044) 10.831 2.610 ( -7.694 -0.945 -0.727) 7.785 2.721 ( -4.692 -1.013 -2.720) 5.517 2.803 ( 0.567 2.411 5.617) 6.139 2.881 ( -0.542 -2.336 -0.365) 2.426 2.963 ( -10.288 -2.908 4.301) 11.524 3.170 ( -12.782 -2.187 -3.680) 13.480 3.241 ( -9.941 0.465 4.311) 10.845 3.350 ( 2.581 -0.773 -6.276) 6.830 3.532 ( -8.313 -0.108 -0.340) 8.321 3.633 ( -13.445 1.872 1.676) 13.678 3.725 ( -4.384 0.428 1.432) 4.631 3.883 ( 0.893 3.970 -0.902) 4.168 4.026 ( -0.417 4.120 -7.877) 8.900 6.319 ( -8.914 -0.043 4.973) 10.208 6.474 ( -44.884 -0.018 0.148) 44.884 7.046 ( 4.187 0.323 -0.834) 4.281 7.230 ( -5.941 -0.388 -5.895) 8.378 7.523 ( 1.468 1.777 2.148) 3.150 7.612 ( 4.980 0.307 -0.401) 5.005 7.722 ( 0.099 -3.150 3.368) 4.613 7.823 ( 2.160 -0.718 0.651) 2.368 8.348 ( 4.171 0.419 -0.043) 4.192 8.391 ( -3.819 0.028 1.667) 4.167 8.542 ( -6.247 -3.791 3.537) 8.118 8.654 ( -5.907 -0.020 -0.201) 5.910 8.754 ( -6.080 -4.597 1.728) 7.815 9.209 ( -1.487 2.340 -4.131) 4.975 9.305 ( 1.883 -0.362 1.405) 2.377 9.406 ( 3.861 1.513 -1.069) 4.282 9.625 ( 6.795 -0.073 4.673) 8.247 10.103 ( 2.901 0.103 -4.459) 5.321======================= Grid point 231 (76/171) =======================q-point: (-0.21 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( -19.412 5.093 7.376) 21.382 1.310 ( -14.547 3.162 25.383) 29.427 1.775 ( -9.436 0.762 -5.926) 11.168 2.022 ( -19.607 -0.959 6.619) 20.716 2.075 ( -20.485 1.568 4.006) 20.932 2.450 ( -8.390 -0.367 2.272) 8.700 2.577 ( -9.155 2.039 -2.385) 9.678 2.603 ( -17.468 -0.771 -3.730) 17.878 2.754 ( -4.802 -5.329 6.825) 9.901 2.978 ( 3.037 -4.080 -0.013) 5.086 3.051 ( -2.033 2.371 -0.352) 3.143 3.102 ( -1.781 -1.769 9.273) 9.607 3.304 ( -12.005 -1.677 1.050) 12.167 3.404 ( -1.599 -0.245 -4.656) 4.929 3.444 ( -4.405 0.133 -4.786) 6.506 3.709 ( 1.426 -2.395 0.576) 2.846 3.922 ( 3.900 1.901 -1.012) 4.455 4.033 ( 3.478 6.641 -8.707) 11.490 5.522 ( -50.681 0.202 4.172) 50.853 6.093 ( -17.475 -1.283 -12.425) 21.480 7.081 ( -4.256 -2.139 -4.265) 6.394 7.122 ( -1.572 0.149 -4.263) 4.546 7.530 ( 0.308 1.950 2.453) 3.149 7.689 ( 2.814 -0.804 -0.405) 2.954 7.740 ( 0.143 -5.590 4.737) 7.328 7.883 ( 2.667 0.215 1.504) 3.069 8.297 ( -4.213 -1.974 1.958) 5.048 8.367 ( -4.719 0.154 -0.803) 4.790 8.424 ( -8.329 -9.403 7.239) 14.498 8.581 ( 2.081 0.985 0.176) 2.309 8.734 ( -0.219 -0.763 1.583) 1.771 9.176 ( 0.112 5.018 -5.748) 7.631 9.351 ( 2.516 0.087 2.559) 3.589 9.475 ( 4.261 1.747 -0.111) 4.606 9.761 ( 6.972 0.171 4.782) 8.457 10.177 ( 4.456 0.477 -3.522) 5.700======================= Grid point 232 (77/171) =======================q-point: (-0.14 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.666 ( -14.319 12.113 9.868) 21.192 0.975 ( -19.687 5.740 21.664) 29.831 1.431 ( -27.308 4.357 33.571) 43.494 1.621 ( -6.146 1.598 -10.565) 12.327 1.727 ( -16.645 0.312 -3.872) 17.092 2.216 ( -13.325 -0.775 -0.524) 13.358 2.395 ( -7.185 1.688 -3.234) 8.058 2.451 ( -0.774 -0.841 4.036) 4.195 2.747 ( -0.248 -8.922 7.209) 11.474 3.020 ( 1.825 5.449 -3.124) 6.541 3.046 ( -3.692 -1.733 8.705) 9.613 3.082 ( -2.161 -2.346 -0.639) 3.253 3.190 ( 6.327 -2.341 11.583) 13.405 3.296 ( -3.928 -3.273 -1.105) 5.231 3.475 ( 1.963 0.032 -10.981) 11.155 3.769 ( 2.587 -3.811 0.510) 4.634 3.996 ( 4.105 0.811 -1.452) 4.429 4.071 ( 3.659 7.037 -8.554) 11.666 4.617 ( -38.524 0.789 5.426) 38.912 5.491 ( -51.940 -3.938 -38.074) 64.520 7.026 ( -0.234 -1.789 -0.499) 1.872 7.100 ( -1.949 -0.390 -1.633) 2.572 7.512 ( -1.506 0.476 3.754) 4.072 7.738 ( 1.670 -1.690 -0.528) 2.434 7.782 ( 0.707 -6.786 5.175) 8.563 7.912 ( 0.329 -1.661 5.072) 5.347 8.240 ( -2.417 -0.072 0.277) 2.434 8.257 ( -4.709 0.172 0.158) 4.715 8.370 ( -3.357 -15.371 9.201) 18.226 8.638 ( 2.431 1.321 -2.428) 3.681 8.744 ( 1.542 -1.639 4.861) 5.356 9.163 ( 1.379 6.590 -7.161) 9.829 9.392 ( 1.855 1.602 2.694) 3.642 9.573 ( 6.925 -0.511 1.218) 7.050 9.885 ( 5.908 0.184 5.978) 8.407 10.254 ( 3.472 0.986 -2.985) 4.684======================= Grid point 233 (78/171) =======================q-point: (-0.07 0.07 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.440 ( 0.000 18.468 12.172) 22.119 0.586 ( 0.000 7.141 23.122) 24.200 1.152 ( 0.000 3.278 51.246) 51.351 1.541 ( 0.000 0.294 -5.296) 5.304 1.557 ( 0.000 1.048 -14.152) 14.191 2.069 ( 0.000 0.115 2.249) 2.252 2.312 ( 0.000 0.980 -3.280) 3.423 2.474 ( -0.000 -0.986 4.763) 4.864 2.804 ( -0.000 -10.896 4.998) 11.987 2.956 ( 0.000 0.120 1.443) 1.448 3.010 ( 0.000 8.237 -2.001) 8.477 3.081 ( -0.000 -1.242 -1.379) 1.856 3.286 ( -0.000 -3.986 -1.926) 4.427 3.493 ( -0.000 -0.392 -11.280) 11.287 3.655 ( -0.000 -18.932 10.302) 21.554 3.837 ( -0.000 -4.020 2.557) 4.764 4.125 ( 0.000 6.053 -5.142) 7.942 4.149 ( 0.000 14.718 -8.834) 17.165 4.152 ( 0.000 0.767 1.709) 1.873 4.200 ( 0.000 0.022 0.576) 0.577 7.047 ( -0.000 -0.216 -0.322) 0.388 7.077 ( -0.000 -0.420 -0.974) 1.061 7.489 ( -0.000 -0.310 5.115) 5.124 7.760 ( -0.000 -0.087 -2.514) 2.515 7.825 ( -0.000 -5.344 4.379) 6.909 7.930 ( -0.000 -4.537 6.478) 7.909 8.209 ( 0.000 0.138 0.017) 0.139 8.213 ( 0.000 0.197 -0.086) 0.215 8.427 ( -0.000 -16.066 5.859) 17.100 8.651 ( 0.000 1.306 -3.764) 3.985 8.802 ( -0.000 -7.803 6.374) 10.075 9.145 ( 0.000 8.057 -7.759) 11.185 9.400 ( 0.000 1.927 2.772) 3.376 9.700 ( -0.000 -4.324 -4.828) 6.482 9.976 ( -0.000 -2.411 6.423) 6.861 10.286 ( 0.000 1.581 -3.185) 3.556======================= Grid point 236 (79/171) =======================q-point: ( 0.14 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.785 ( 12.510 -0.000 4.522) 13.302 1.788 ( 10.109 -0.000 22.757) 24.902 2.098 ( 5.735 -0.000 2.780) 6.373 2.301 ( -0.824 0.000 -1.457) 1.674 2.354 ( -8.188 0.000 -3.080) 8.748 2.726 ( 4.221 -0.000 3.485) 5.474 2.760 ( -0.852 0.000 -1.162) 1.441 2.898 ( 9.681 -0.000 -4.300) 10.593 2.906 ( 0.032 -0.000 -3.578) 3.578 3.201 ( 6.899 -0.000 7.606) 10.269 3.264 ( -3.157 0.000 -2.765) 4.196 3.394 ( 6.139 -0.000 1.081) 6.233 3.503 ( 11.886 -0.000 -2.585) 12.164 3.617 ( 3.079 -0.000 -3.096) 4.366 3.730 ( -3.182 0.000 -0.405) 3.208 3.730 ( 2.754 -0.000 0.456) 2.791 3.984 ( 19.882 -0.000 0.709) 19.894 4.131 ( 10.135 -0.000 -4.448) 11.068 6.472 ( 7.724 -0.000 10.051) 12.677 6.878 ( -6.398 0.000 -2.571) 6.895 7.279 ( 28.670 -0.000 -0.947) 28.686 7.325 ( 3.594 -0.000 -0.689) 3.659 7.469 ( -1.799 0.000 2.604) 3.165 7.518 ( -1.147 0.000 0.174) 1.160 7.695 ( -3.098 0.000 4.473) 5.441 7.860 ( 2.724 -0.000 0.572) 2.783 8.228 ( -5.593 0.000 1.038) 5.688 8.419 ( -0.113 0.000 -2.224) 2.226 8.583 ( -0.800 0.000 1.887) 2.050 8.817 ( 7.384 -0.000 -1.068) 7.461 9.022 ( 8.522 -0.000 0.533) 8.539 9.243 ( 6.159 -0.000 -1.367) 6.309 9.290 ( -2.703 0.000 0.484) 2.746 9.326 ( -1.014 0.000 0.095) 1.019 9.505 ( -5.805 0.000 4.092) 7.102 10.079 ( 0.500 -0.000 -5.651) 5.673======================= Grid point 237 (80/171) =======================q-point: ( 0.21 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( -2.908 1.041 3.045) 4.337 1.951 ( 6.643 -0.035 25.008) 25.875 2.122 ( -12.545 0.899 -2.106) 12.753 2.183 ( 2.379 0.015 3.243) 4.022 2.273 ( -2.470 -1.449 -0.519) 2.910 2.737 ( 0.098 0.155 -0.119) 0.219 2.791 ( 1.926 0.487 0.986) 2.218 2.932 ( 1.762 1.278 -2.378) 3.224 3.072 ( 8.060 1.174 -5.909) 10.063 3.197 ( -3.381 0.321 0.706) 3.469 3.304 ( 4.099 0.929 3.969) 5.780 3.497 ( 5.673 0.199 1.207) 5.803 3.598 ( -0.208 -2.544 -1.731) 3.084 3.698 ( 3.070 1.869 -6.387) 7.329 3.761 ( 6.711 0.187 -0.571) 6.737 3.781 ( 0.848 -4.195 -1.549) 4.552 4.311 ( 10.436 2.961 -0.710) 10.871 4.343 ( 13.708 -2.572 -1.018) 13.984 6.621 ( 7.464 -0.024 8.495) 11.308 6.717 ( -9.011 0.101 0.626) 9.033 7.327 ( -3.657 0.031 -1.246) 3.864 7.372 ( -3.744 0.010 -3.151) 4.893 7.479 ( 3.312 0.029 10.226) 10.749 7.636 ( -0.968 0.064 5.007) 5.100 7.897 ( 22.226 0.004 -0.506) 22.231 7.921 ( 3.468 0.271 -0.192) 3.484 8.134 ( -4.034 -0.241 1.726) 4.394 8.393 ( -2.167 -0.277 -2.604) 3.398 8.566 ( -0.872 -0.012 3.316) 3.429 8.915 ( 2.447 0.462 -4.501) 5.144 9.153 ( 4.697 0.523 0.096) 4.727 9.281 ( 2.052 0.941 2.158) 3.123 9.301 ( -1.419 -0.336 0.318) 1.492 9.366 ( 5.892 -0.338 -1.479) 6.085 9.407 ( -4.009 -0.094 4.204) 5.810 10.115 ( 2.781 0.011 -6.310) 6.896======================= Grid point 238 (81/171) =======================q-point: ( 0.29 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( -9.802 1.172 2.681) 10.230 1.883 ( -9.772 -0.294 -0.435) 9.787 2.049 ( 3.208 0.042 25.882) 26.080 2.215 ( 0.272 1.145 1.990) 2.312 2.243 ( -0.597 -1.563 0.492) 1.744 2.742 ( -0.153 2.441 0.962) 2.628 2.797 ( -0.363 0.642 0.575) 0.936 2.946 ( -0.086 0.489 0.110) 0.508 3.132 ( -2.834 0.069 1.530) 3.221 3.197 ( 5.368 0.190 -5.266) 7.522 3.346 ( 0.579 0.517 0.402) 0.874 3.624 ( 2.426 -2.507 0.031) 3.488 3.635 ( 7.416 1.436 0.140) 7.555 3.719 ( -0.222 1.485 -3.640) 3.937 3.799 ( -0.227 -5.464 -6.284) 8.330 3.874 ( 3.909 0.418 -2.732) 4.787 4.439 ( 4.847 3.017 0.852) 5.772 4.573 ( 7.826 -2.156 -1.478) 8.251 6.555 ( -6.890 0.244 2.637) 7.381 6.750 ( 5.390 0.052 3.899) 6.653 7.238 ( -4.391 -0.125 -1.011) 4.507 7.314 ( -2.041 0.057 -3.473) 4.029 7.546 ( 2.813 0.247 17.705) 17.929 7.624 ( -0.178 0.041 5.959) 5.962 7.976 ( 1.803 0.533 -2.276) 2.952 8.080 ( -1.343 -0.544 2.887) 3.230 8.228 ( 10.977 0.035 -2.117) 11.180 8.359 ( -0.755 -0.245 -1.425) 1.631 8.551 ( -0.609 -0.129 2.664) 2.736 8.918 ( -1.074 0.394 -7.560) 7.646 9.204 ( 0.648 0.539 2.953) 3.070 9.260 ( -1.836 0.481 0.009) 1.898 9.331 ( 1.585 0.065 0.496) 1.662 9.375 ( 0.844 -0.174 5.314) 5.383 9.462 ( 3.545 -0.131 -1.715) 3.940 10.169 ( 2.370 0.008 -6.575) 6.989======================= Grid point 239 (82/171) =======================q-point: ( 0.36 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( -2.353 0.336 4.142) 4.776 1.793 ( 1.114 0.124 -0.864) 1.415 2.079 ( -0.080 0.055 26.810) 26.811 2.194 ( -1.134 -0.046 2.258) 2.527 2.262 ( 1.448 -0.231 0.296) 1.496 2.697 ( -2.296 3.414 1.370) 4.336 2.783 ( -1.337 -0.971 -0.148) 1.659 2.914 ( -3.443 -1.765 1.409) 4.117 3.108 ( 0.514 0.078 0.971) 1.101 3.272 ( 0.680 -1.781 -3.629) 4.099 3.318 ( -2.591 0.146 -3.551) 4.398 3.636 ( -1.666 1.538 1.167) 2.550 3.707 ( 0.711 -1.036 -1.107) 1.674 3.766 ( 4.003 1.824 -2.834) 5.233 3.842 ( 3.054 -2.883 -6.151) 7.448 3.917 ( 1.385 0.331 -3.076) 3.390 4.466 ( -0.381 3.412 1.791) 3.872 4.662 ( 0.164 -2.205 -2.103) 3.051 6.474 ( -0.903 -0.128 3.473) 3.591 6.805 ( -0.285 0.005 0.575) 0.642 7.194 ( 0.471 -0.038 0.071) 0.478 7.293 ( -0.093 0.062 -3.533) 3.535 7.568 ( -0.681 0.005 21.009) 21.020 7.623 ( -0.006 0.042 6.105) 6.105 7.972 ( -1.558 -0.268 -2.761) 3.182 8.093 ( 1.827 0.342 2.584) 3.182 8.305 ( -0.191 -0.087 -3.176) 3.183 8.382 ( 0.188 -0.066 0.286) 0.348 8.550 ( 0.684 0.078 1.638) 1.777 8.894 ( -1.024 -0.037 -7.695) 7.763 9.191 ( -0.999 -0.056 2.558) 2.747 9.228 ( -1.109 -0.008 -0.102) 1.114 9.353 ( -0.028 -0.013 1.407) 1.407 9.391 ( 0.399 0.104 4.685) 4.703 9.498 ( 0.133 -0.008 -1.797) 1.802 10.194 ( 0.002 0.007 -6.643) 6.643======================= Grid point 240 (83/171) =======================q-point: (-0.57 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 5.744 -1.794 5.129) 7.906 1.907 ( 9.032 0.551 -0.285) 9.054 2.048 ( -3.031 0.020 25.518) 25.697 2.181 ( -0.399 -0.564 2.905) 2.986 2.305 ( 3.684 1.048 -0.486) 3.860 2.642 ( -2.075 0.238 1.137) 2.378 2.757 ( -1.823 -2.123 -1.058) 2.991 2.846 ( -4.307 -2.854 0.247) 5.173 3.139 ( 1.826 0.381 0.061) 1.867 3.170 ( -8.490 -1.111 -4.747) 9.790 3.307 ( -1.425 -0.869 -0.969) 1.930 3.592 ( -1.612 1.494 1.446) 2.631 3.703 ( -1.614 0.007 -3.955) 4.272 3.769 ( -3.156 -0.425 -5.778) 6.597 3.894 ( 1.487 2.898 1.275) 3.498 3.972 ( 4.364 0.127 -3.687) 5.714 4.390 ( -5.646 3.131 1.936) 6.740 4.602 ( -7.361 -1.689 -2.435) 7.936 6.529 ( 6.207 -0.725 2.861) 6.873 6.745 ( -5.202 -0.118 3.112) 6.063 7.249 ( 4.350 0.264 -1.027) 4.477 7.311 ( 1.988 -0.040 -3.371) 3.914 7.527 ( -3.179 -0.449 18.138) 18.420 7.623 ( 0.013 0.006 5.802) 5.802 7.934 ( -2.682 -0.945 -1.215) 3.092 8.128 ( 2.265 1.212 1.729) 3.096 8.224 ( -10.721 -0.110 -2.390) 10.985 8.369 ( 1.226 0.028 -1.011) 1.590 8.570 ( 1.138 0.651 2.158) 2.525 8.876 ( -1.559 -1.226 -5.316) 5.674 9.171 ( -1.690 -0.481 0.507) 1.829 9.220 ( -0.123 -0.974 -0.349) 1.042 9.326 ( -2.189 -0.116 1.123) 2.462 9.389 ( -0.217 0.325 5.600) 5.613 9.469 ( -2.943 0.108 -1.780) 3.441 10.169 ( -2.406 0.001 -6.611) 7.035======================= Grid point 241 (84/171) =======================q-point: (-0.50 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 0.783 -4.020 4.415) 6.022 1.952 ( -5.902 -0.033 25.637) 26.308 2.056 ( 3.404 -1.105 -2.551) 4.395 2.181 ( -0.049 -0.010 3.781) 3.781 2.427 ( 10.188 3.864 -1.500) 10.999 2.615 ( -1.758 -4.015 1.591) 4.663 2.731 ( -3.555 -5.331 -1.487) 6.578 2.810 ( 1.232 0.615 -1.583) 2.098 2.975 ( -10.439 -1.591 -4.810) 11.603 3.194 ( 2.500 0.510 -1.074) 2.769 3.249 ( -4.443 -0.964 2.788) 5.333 3.546 ( -2.702 2.271 0.459) 3.559 3.647 ( -9.141 -1.903 -2.407) 9.642 3.659 ( -3.183 0.356 -5.435) 6.308 3.893 ( 0.440 4.860 1.525) 5.112 4.038 ( 2.449 2.067 -3.237) 4.555 4.222 ( -10.074 1.936 1.411) 10.354 4.397 ( -14.181 -0.502 -2.410) 14.393 6.624 ( -7.079 0.055 7.928) 10.629 6.699 ( 10.024 -0.601 0.723) 10.068 7.323 ( 2.183 -0.118 -0.415) 2.225 7.369 ( 3.730 -0.107 -3.056) 4.823 7.478 ( -0.857 0.074 9.785) 9.823 7.628 ( 0.546 -0.164 4.675) 4.710 7.876 ( -4.494 -1.217 -0.239) 4.662 7.900 ( -21.281 -0.067 -0.485) 21.286 8.176 ( 3.552 1.379 1.887) 4.252 8.424 ( 3.881 0.591 -2.468) 4.637 8.578 ( -0.006 0.807 2.957) 3.065 8.823 ( -5.627 -3.376 -0.205) 6.565 9.103 ( -6.482 -0.799 -3.110) 7.234 9.220 ( -0.676 -1.284 -0.096) 1.454 9.295 ( -0.067 -0.386 0.740) 0.837 9.394 ( -3.456 0.497 -0.519) 3.530 9.414 ( 2.602 0.040 4.624) 5.306 10.113 ( -2.851 -0.036 -6.365) 6.974======================= Grid point 242 (85/171) =======================q-point: (-0.43 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( -9.154 -3.502 3.717) 10.482 1.806 ( -8.879 0.541 24.180) 25.765 2.064 ( -3.475 -3.046 -3.510) 5.803 2.164 ( -1.465 0.793 3.460) 3.840 2.534 ( -2.243 -0.702 -1.938) 3.046 2.644 ( 2.721 -1.827 -0.505) 3.316 2.696 ( -2.069 -5.857 -2.121) 6.564 2.817 ( -3.469 -0.248 0.084) 3.479 2.868 ( 3.200 2.389 -1.487) 4.261 3.119 ( -7.878 -1.044 6.611) 10.337 3.264 ( 3.247 -0.113 -5.081) 6.031 3.407 ( -14.242 -2.730 -1.743) 14.606 3.454 ( -7.932 1.211 0.957) 8.081 3.611 ( -1.796 0.833 -2.247) 2.995 3.858 ( -2.249 4.887 1.274) 5.528 3.985 ( -14.564 -0.229 0.701) 14.582 4.017 ( -5.732 5.849 -1.606) 8.346 4.114 ( -8.760 0.132 -4.783) 9.982 6.478 ( -7.740 0.188 9.973) 12.626 6.880 ( 6.804 0.078 -2.763) 7.344 7.278 ( -26.351 0.067 -0.683) 26.359 7.313 ( -4.336 -0.502 -0.583) 4.404 7.505 ( 2.223 1.227 2.336) 3.450 7.524 ( 1.667 0.265 0.415) 1.739 7.676 ( 1.862 -0.370 3.890) 4.328 7.811 ( -3.444 -2.110 0.451) 4.064 8.256 ( 5.366 1.206 1.905) 5.820 8.469 ( -0.561 1.992 -1.357) 2.474 8.574 ( 0.400 -0.296 2.265) 2.319 8.702 ( -7.917 -5.600 3.908) 10.455 8.921 ( -12.035 -1.525 -2.360) 12.359 9.221 ( 0.049 -1.267 -1.214) 1.755 9.311 ( -0.551 0.952 -1.176) 1.611 9.349 ( 1.940 0.235 -1.015) 2.202 9.501 ( 5.632 -0.146 5.123) 7.615 10.078 ( -0.432 -0.065 -5.577) 5.595======================= Grid point 243 (86/171) =======================q-point: (-0.36 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( -15.082 0.715 4.547) 15.769 1.602 ( -11.535 1.707 24.082) 26.757 1.955 ( -8.387 -1.344 -4.860) 9.786 2.127 ( -2.966 -1.886 1.736) 3.920 2.410 ( -11.227 -2.706 1.356) 11.628 2.595 ( -5.962 -1.603 -1.369) 6.324 2.693 ( -2.320 -4.032 -2.041) 5.080 2.832 ( -0.435 3.004 4.626) 5.533 2.878 ( -3.801 1.160 -0.162) 3.977 2.935 ( -9.735 -2.105 4.882) 11.092 3.145 ( -10.832 -2.776 -3.261) 11.648 3.244 ( -11.503 0.186 4.463) 12.340 3.343 ( 3.189 -0.542 -7.529) 8.195 3.537 ( -9.640 1.042 0.016) 9.696 3.654 ( -12.505 2.302 1.473) 12.800 3.722 ( -7.675 -0.965 0.915) 7.789 3.923 ( 0.219 3.907 -1.076) 4.058 4.070 ( 1.409 4.310 -7.174) 8.487 6.319 ( -9.279 -0.078 4.852) 10.471 6.473 ( -44.742 -0.055 -0.035) 44.742 7.050 ( 3.926 0.438 -0.667) 4.006 7.225 ( -6.454 -0.617 -5.878) 8.751 7.541 ( 1.677 1.695 1.716) 2.937 7.616 ( 4.927 0.457 -0.179) 4.951 7.691 ( -1.830 -2.764 4.092) 5.266 7.812 ( 3.116 -1.386 0.350) 3.428 8.349 ( 0.621 -0.430 0.545) 0.932 8.388 ( -2.955 -0.485 5.062) 5.881 8.503 ( -8.318 -3.505 4.639) 10.148 8.654 ( -3.549 -0.078 -0.420) 3.575 8.717 ( -5.167 -2.833 -0.330) 5.902 9.220 ( -0.541 -0.135 -3.683) 3.725 9.313 ( 2.188 1.834 0.197) 2.862 9.418 ( 4.241 0.914 -1.579) 4.616 9.625 ( 6.894 -0.068 4.990) 8.511 10.104 ( 3.039 0.067 -4.281) 5.251======================= Grid point 244 (87/171) =======================q-point: (-0.29 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( -15.146 7.384 6.067) 17.909 1.345 ( -13.307 3.649 26.053) 29.481 1.781 ( -9.100 0.310 -7.309) 11.676 2.004 ( -14.749 -2.186 3.662) 15.353 2.094 ( -21.015 1.631 5.758) 21.851 2.450 ( -9.959 0.266 3.010) 10.408 2.585 ( -11.984 -0.855 -2.954) 12.372 2.606 ( -13.738 1.573 -2.922) 14.133 2.701 ( -6.476 -4.893 6.853) 10.623 2.932 ( 2.150 -4.394 1.862) 5.234 3.071 ( -5.037 -1.958 11.492) 12.699 3.087 ( 1.646 2.032 -3.944) 4.733 3.290 ( -11.834 -0.981 1.145) 11.930 3.401 ( -2.135 -0.460 -4.879) 5.345 3.443 ( -5.660 -0.352 -4.691) 7.360 3.689 ( 1.084 -1.570 0.620) 2.006 3.939 ( 2.463 1.363 -1.015) 2.993 4.103 ( 4.517 6.905 -8.226) 11.651 5.524 ( -50.420 0.265 3.887) 50.571 6.076 ( -19.274 -1.974 -13.078) 23.376 7.056 ( -6.557 -2.951 -3.456) 7.978 7.122 ( -0.858 -0.144 -3.536) 3.641 7.543 ( -1.465 -0.404 3.726) 4.024 7.660 ( -0.689 -3.702 6.733) 7.714 7.709 ( 2.951 -0.548 0.289) 3.015 7.883 ( 2.544 -0.184 1.005) 2.741 8.251 ( -6.252 -7.099 8.956) 13.027 8.355 ( -7.109 -2.558 1.879) 7.785 8.373 ( -5.764 -0.134 1.497) 5.956 8.592 ( 2.524 1.197 0.583) 2.853 8.725 ( 0.471 -0.855 -0.089) 0.980 9.212 ( 0.259 1.825 -5.769) 6.056 9.363 ( 3.592 2.309 1.128) 4.417 9.492 ( 4.019 1.555 -0.871) 4.397 9.763 ( 7.171 0.246 4.906) 8.692 10.182 ( 4.680 0.434 -3.128) 5.646======================= Grid point 245 (88/171) =======================q-point: (-0.21 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.809 ( -9.237 15.441 7.710) 19.575 1.042 ( -16.525 7.256 22.230) 28.634 1.480 ( -25.774 4.806 28.124) 38.449 1.641 ( -6.366 2.196 -9.643) 11.762 1.732 ( -16.436 0.780 -3.465) 16.815 2.209 ( -12.517 -0.637 0.466) 12.542 2.415 ( -7.089 2.221 -3.232) 8.101 2.437 ( -1.844 -2.012 3.457) 4.405 2.668 ( -0.951 -6.256 8.129) 10.302 3.004 ( 1.361 -4.935 4.492) 6.810 3.057 ( -3.205 -1.596 3.694) 5.144 3.074 ( 1.281 1.831 1.056) 2.471 3.165 ( 2.260 -1.783 5.942) 6.603 3.258 ( -5.967 -4.060 0.236) 7.221 3.475 ( 2.054 -0.055 -11.072) 11.261 3.736 ( 2.390 -2.615 0.303) 3.556 4.000 ( 4.070 -0.025 -1.247) 4.256 4.150 ( 3.582 7.927 -8.246) 11.987 4.628 ( -37.729 1.198 5.182) 38.102 5.440 ( -52.781 -6.123 -34.860) 63.550 7.000 ( 0.667 -3.417 2.383) 4.219 7.095 ( -2.345 -0.477 -1.606) 2.882 7.488 ( -5.701 -7.126 12.073) 15.134 7.679 ( 0.274 -4.948 9.099) 10.361 7.758 ( 1.779 0.221 -1.433) 2.295 7.903 ( -0.175 -0.398 5.042) 5.061 8.215 ( -2.061 -8.815 8.872) 12.676 8.254 ( -4.126 -2.128 2.671) 5.356 8.260 ( -4.604 -0.336 -0.170) 4.619 8.653 ( 2.530 1.483 -1.924) 3.508 8.731 ( 0.241 -1.145 2.646) 2.893 9.211 ( 0.878 2.954 -7.190) 7.823 9.415 ( 2.760 2.910 0.876) 4.106 9.569 ( 4.739 -0.166 0.021) 4.742 9.889 ( 5.677 0.445 5.417) 7.859 10.264 ( 3.705 0.846 -2.437) 4.515======================= Grid point 246 (89/171) =======================q-point: (-0.14 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( 0.000 22.009 7.490) 23.249 0.681 ( 0.000 11.061 19.048) 22.027 1.198 ( 0.000 5.646 48.286) 48.615 1.545 ( 0.000 0.530 -4.987) 5.015 1.573 ( 0.000 2.049 -13.176) 13.335 2.071 ( 0.000 0.269 2.482) 2.497 2.327 ( 0.000 1.885 -3.219) 3.730 2.456 ( -0.000 -2.800 3.776) 4.701 2.702 ( -0.000 -8.581 7.831) 11.617 2.958 ( 0.000 0.161 1.129) 1.141 3.062 ( -0.000 -2.355 -1.216) 2.651 3.080 ( 0.000 5.329 -3.193) 6.212 3.231 ( -0.000 -6.331 -1.814) 6.586 3.441 ( -0.000 -16.399 14.567) 21.934 3.506 ( -0.000 -2.788 -6.143) 6.746 3.797 ( -0.000 -3.671 1.534) 3.979 4.164 ( 0.000 1.388 1.566) 2.093 4.198 ( 0.000 7.873 -5.400) 9.546 4.200 ( 0.000 0.054 0.678) 0.680 4.283 ( 0.000 10.958 -13.322) 17.250 7.044 ( -0.000 -0.391 -0.359) 0.531 7.071 ( -0.000 -0.758 -0.947) 1.213 7.455 ( -0.000 -8.947 16.427) 18.705 7.717 ( -0.000 -8.899 10.452) 13.727 7.775 ( -0.000 -0.329 -1.272) 1.314 7.901 ( -0.000 -1.131 7.392) 7.478 8.211 ( 0.000 0.254 0.030) 0.256 8.216 ( 0.000 0.346 -0.090) 0.357 8.260 ( -0.000 -14.408 11.605) 18.501 8.665 ( 0.000 1.191 -3.648) 3.837 8.751 ( -0.000 -2.856 5.137) 5.878 9.206 ( 0.000 3.917 -8.457) 9.320 9.427 ( 0.000 3.185 0.890) 3.307 9.652 ( -0.000 -4.474 -2.304) 5.032 9.958 ( -0.000 -0.988 6.049) 6.129 10.301 ( 0.000 1.087 -2.576) 2.796======================= Grid point 251 (90/171) =======================q-point: ( 0.21 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( -10.011 0.000 2.512) 10.321 1.882 ( -9.787 0.000 -0.434) 9.797 2.050 ( 3.225 -0.000 25.936) 26.135 2.226 ( 1.837 -0.000 1.797) 2.570 2.229 ( -2.027 0.000 0.634) 2.124 2.755 ( 0.708 -0.000 0.818) 1.082 2.801 ( -1.065 0.000 0.811) 1.338 2.948 ( -0.669 0.000 0.070) 0.673 3.133 ( -2.974 0.000 1.665) 3.408 3.198 ( 4.717 -0.000 -5.222) 7.037 3.349 ( 0.180 -0.000 0.554) 0.583 3.610 ( 2.912 -0.000 0.233) 2.921 3.643 ( 8.869 -0.000 0.042) 8.869 3.741 ( -3.024 0.000 -0.065) 3.025 3.756 ( 2.152 -0.000 -10.033) 10.262 3.876 ( 3.914 -0.000 -2.676) 4.741 4.456 ( 4.763 -0.000 0.161) 4.766 4.560 ( 7.928 -0.000 -1.024) 7.994 6.556 ( -6.939 0.000 2.635) 7.422 6.750 ( 5.406 -0.000 3.950) 6.695 7.238 ( -4.405 0.000 -1.012) 4.520 7.314 ( -2.034 0.000 -3.488) 4.038 7.548 ( 2.788 -0.000 17.698) 17.916 7.624 ( -0.186 0.000 5.948) 5.951 7.978 ( 1.706 -0.000 -2.357) 2.910 8.077 ( -1.250 0.000 2.968) 3.221 8.228 ( 10.992 -0.000 -2.100) 11.191 8.357 ( -0.712 0.000 -1.421) 1.589 8.551 ( -0.600 0.000 2.671) 2.738 8.920 ( -1.188 0.000 -7.671) 7.763 9.207 ( 0.513 -0.000 3.083) 3.126 9.262 ( -1.989 0.000 0.051) 1.989 9.331 ( 1.523 -0.000 0.444) 1.587 9.374 ( 0.936 -0.000 5.288) 5.370 9.461 ( 3.614 -0.000 -1.711) 3.998 10.169 ( 2.368 -0.000 -6.572) 6.986======================= Grid point 252 (91/171) =======================q-point: ( 0.29 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( -2.914 0.149 4.012) 4.960 1.794 ( 1.395 0.055 -0.915) 1.669 2.080 ( -0.097 0.025 26.979) 26.979 2.194 ( -1.455 -0.022 1.743) 2.271 2.261 ( 1.837 -0.102 0.625) 1.943 2.734 ( -2.481 3.603 1.151) 4.524 2.766 ( -2.325 -2.413 0.611) 3.406 2.899 ( -4.177 -0.883 1.042) 4.395 3.109 ( 0.675 0.038 0.985) 1.195 3.258 ( 0.322 -0.805 -3.387) 3.496 3.318 ( -2.511 0.034 -3.479) 4.290 3.659 ( -1.619 2.664 1.074) 3.297 3.689 ( 1.028 -2.329 0.322) 2.566 3.780 ( 1.363 0.730 -9.064) 9.195 3.820 ( 7.311 -1.189 -1.761) 7.614 3.919 ( 1.046 0.084 -2.329) 2.554 4.495 ( -0.307 1.866 0.591) 1.981 4.642 ( 0.164 -1.354 -1.520) 2.042 6.473 ( -1.127 -0.057 3.503) 3.680 6.805 ( -0.356 0.002 0.575) 0.676 7.194 ( 0.585 -0.017 0.088) 0.592 7.293 ( -0.113 0.028 -3.557) 3.559 7.568 ( -0.852 0.002 21.048) 21.066 7.624 ( -0.005 0.019 6.049) 6.049 7.970 ( -1.874 -0.115 -2.584) 3.194 8.095 ( 2.212 0.148 2.394) 3.263 8.305 ( -0.240 -0.040 -3.144) 3.154 8.382 ( 0.231 -0.029 0.298) 0.378 8.551 ( 0.856 0.034 1.614) 1.827 8.894 ( -1.282 -0.016 -7.678) 7.784 9.191 ( -1.235 -0.025 2.539) 2.824 9.228 ( -1.384 -0.003 -0.098) 1.387 9.353 ( -0.036 -0.006 1.415) 1.416 9.392 ( 0.491 0.046 4.671) 4.697 9.498 ( 0.165 -0.004 -1.793) 1.801 10.194 ( 0.002 0.003 -6.642) 6.642======================= Grid point 253 (92/171) =======================q-point: (-0.64 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 4.825 -0.942 5.507) 7.382 1.911 ( 8.779 0.309 -0.191) 8.786 2.048 ( -2.998 0.026 25.515) 25.691 2.176 ( -0.397 -0.321 2.666) 2.715 2.313 ( 4.396 0.551 -0.464) 4.454 2.653 ( -3.699 1.775 1.124) 4.254 2.729 ( -2.982 -3.111 -0.279) 4.318 2.826 ( -3.197 -1.190 -0.686) 3.480 3.143 ( 1.481 0.411 -0.130) 1.542 3.159 ( -7.973 -0.933 -4.479) 9.193 3.300 ( -1.423 -0.462 -1.143) 1.882 3.609 ( -1.409 1.653 1.248) 2.504 3.701 ( -1.326 -0.305 -3.066) 3.354 3.762 ( -3.686 -0.714 -7.140) 8.067 3.922 ( 2.271 2.459 0.914) 3.470 3.965 ( 4.540 -1.268 -1.438) 4.928 4.426 ( -5.480 3.342 0.302) 6.425 4.582 ( -7.230 -2.083 -1.960) 7.775 6.523 ( 6.097 -0.432 2.943) 6.784 6.745 ( -5.178 -0.068 2.972) 5.970 7.251 ( 4.398 0.152 -1.027) 4.519 7.310 ( 1.929 -0.015 -3.392) 3.902 7.523 ( -3.245 -0.252 18.269) 18.557 7.623 ( -0.024 0.013 5.724) 5.724 7.926 ( -2.783 -0.524 -1.041) 3.017 8.138 ( 2.409 0.706 1.519) 2.934 8.223 ( -10.669 -0.071 -2.449) 10.947 8.369 ( 1.250 -0.034 -0.834) 1.503 8.576 ( 1.369 0.421 1.981) 2.444 8.866 ( -2.252 -0.749 -4.820) 5.372 9.167 ( -1.657 -0.191 -0.079) 1.670 9.212 ( -0.469 -0.577 -0.299) 0.802 9.325 ( -2.274 -0.067 1.217) 2.580 9.391 ( -0.204 0.182 5.630) 5.636 9.470 ( -2.892 0.050 -1.788) 3.401 10.169 ( -2.414 0.002 -6.616) 7.042======================= Grid point 254 (93/171) =======================q-point: (-0.57 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( 0.369 -2.786 4.850) 5.605 1.951 ( -5.714 -0.040 25.754) 26.381 2.047 ( 2.292 -0.636 -2.648) 3.560 2.181 ( 0.564 0.031 3.885) 3.926 2.461 ( 11.392 2.642 -1.515) 11.792 2.582 ( -3.794 -2.445 1.501) 4.757 2.681 ( -3.767 -4.066 -1.271) 5.686 2.817 ( 2.438 0.585 -2.358) 3.442 2.962 ( -10.456 -0.997 -4.647) 11.485 3.199 ( 2.599 0.535 -1.345) 2.975 3.240 ( -4.592 -0.761 2.811) 5.437 3.569 ( -2.687 2.051 0.000) 3.381 3.629 ( -9.882 -1.588 -2.245) 10.257 3.662 ( -2.754 0.292 -5.075) 5.781 3.937 ( 0.887 3.806 1.331) 4.128 4.039 ( 1.794 -1.341 -0.998) 2.453 4.256 ( -9.658 4.133 -0.639) 10.524 4.386 ( -13.661 -1.502 -2.256) 13.927 6.624 ( -6.983 0.031 7.780) 10.455 6.693 ( 10.324 -0.449 0.773) 10.362 7.322 ( 1.728 -0.074 -0.149) 1.736 7.368 ( 3.780 -0.088 -3.050) 4.858 7.479 ( -0.198 0.080 9.643) 9.645 7.627 ( 0.471 -0.095 4.567) 4.593 7.865 ( -4.083 -0.879 -0.127) 4.179 7.900 ( -21.802 -0.035 -0.535) 21.809 8.189 ( 3.469 1.021 1.831) 4.053 8.428 ( 4.344 0.278 -2.194) 4.874 8.587 ( -0.087 0.877 2.547) 2.695 8.791 ( -6.751 -2.681 0.813) 7.309 9.097 ( -6.677 -0.398 -3.754) 7.670 9.209 ( -0.388 -0.859 -0.396) 1.022 9.291 ( -0.208 -0.280 0.782) 0.856 9.398 ( -3.487 0.330 -0.961) 3.632 9.414 ( 2.602 -0.046 5.232) 5.844 10.113 ( -2.872 -0.024 -6.379) 6.995======================= Grid point 255 (94/171) =======================q-point: (-0.50 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.639 ( -7.647 -2.582 3.413) 8.763 1.810 ( -8.529 0.383 24.579) 26.019 2.035 ( -3.828 -2.456 -4.294) 6.255 2.177 ( -0.958 1.637 3.915) 4.351 2.500 ( -6.237 -4.839 0.838) 7.938 2.633 ( -1.271 -2.798 -3.027) 4.313 2.656 ( 2.639 -0.247 -2.497) 3.642 2.819 ( -0.740 0.633 0.897) 1.324 2.889 ( 3.860 1.604 -2.032) 4.647 3.113 ( -7.656 -0.190 6.659) 10.148 3.261 ( 2.226 -0.623 -5.228) 5.716 3.379 ( -14.943 -2.472 -1.231) 15.196 3.469 ( -7.973 1.520 0.374) 8.125 3.620 ( -1.348 0.842 -2.107) 2.639 3.900 ( -4.743 3.436 1.327) 6.005 3.980 ( -11.895 -0.855 0.703) 11.946 4.067 ( -8.559 3.948 -1.474) 9.540 4.120 ( -6.302 0.939 -5.063) 8.139 6.480 ( -7.754 0.138 9.932) 12.601 6.881 ( 6.979 0.066 -2.847) 7.538 7.279 ( -26.180 0.159 -0.687) 26.190 7.308 ( -4.136 -0.491 -0.444) 4.188 7.516 ( 2.230 0.965 2.066) 3.189 7.527 ( 2.085 0.237 0.640) 2.193 7.674 ( 1.950 -0.016 3.620) 4.112 7.789 ( -4.178 -2.006 0.585) 4.671 8.268 ( 5.260 1.048 2.155) 5.780 8.491 ( -0.772 2.200 -0.930) 2.510 8.572 ( 0.191 -0.225 2.399) 2.417 8.645 ( -8.611 -5.407 4.789) 11.239 8.910 ( -12.038 -0.782 -2.902) 12.407 9.210 ( -0.027 -0.964 -1.147) 1.499 9.320 ( 1.116 0.718 -1.562) 2.050 9.350 ( 1.085 -0.030 -1.341) 1.725 9.500 ( 5.618 -0.131 5.456) 7.833 10.077 ( -0.427 -0.057 -5.564) 5.581======================= Grid point 256 (95/171) =======================q-point: (-0.43 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.447 ( -11.807 1.563 3.417) 12.390 1.618 ( -10.824 1.394 24.752) 27.051 1.933 ( -7.761 -2.628 -6.361) 10.374 2.125 ( -3.610 1.391 2.187) 4.444 2.367 ( -10.643 -5.478 2.579) 12.245 2.580 ( -4.642 -1.505 -1.985) 5.268 2.652 ( -1.347 -3.522 -0.774) 3.850 2.859 ( -2.135 1.815 3.866) 4.775 2.887 ( -9.450 0.199 2.722) 9.836 2.930 ( -6.905 1.325 2.288) 7.394 3.116 ( -7.259 -2.837 -2.777) 8.274 3.246 ( -13.078 0.089 4.585) 13.859 3.339 ( 3.354 -0.238 -8.569) 9.205 3.553 ( -10.133 2.083 0.178) 10.346 3.677 ( -10.589 2.047 1.316) 10.865 3.707 ( -11.181 -1.923 0.277) 11.348 3.960 ( -1.009 3.175 -0.967) 3.469 4.110 ( 2.733 3.568 -6.639) 8.017 6.318 ( -9.619 -0.104 4.693) 10.703 6.473 ( -44.685 -0.080 -0.228) 44.685 7.055 ( 3.751 0.511 -0.515) 3.820 7.218 ( -7.223 -0.757 -5.852) 9.327 7.555 ( 1.021 0.965 1.303) 1.916 7.621 ( 5.054 0.474 0.001) 5.076 7.669 ( -3.041 -1.603 4.895) 5.982 7.796 ( 4.064 -1.696 0.140) 4.406 8.333 ( -7.573 -2.591 5.347) 9.625 8.386 ( 1.441 0.100 6.297) 6.460 8.477 ( -7.500 -1.540 2.636) 8.097 8.653 ( -0.444 -0.163 -0.873) 0.993 8.695 ( -6.167 -1.504 -1.482) 6.518 9.213 ( -0.158 -0.994 -2.571) 2.761 9.336 ( 2.779 2.431 -1.389) 3.945 9.424 ( 4.601 0.258 -2.098) 5.063 9.624 ( 7.006 -0.044 5.311) 8.791 10.104 ( 3.144 0.020 -4.128) 5.189======================= Grid point 257 (96/171) =======================q-point: (-0.36 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( -10.649 8.690 4.271) 14.393 1.382 ( -12.070 3.353 26.846) 29.625 1.779 ( -8.512 -0.843 -8.517) 12.071 1.982 ( -14.221 -2.090 3.629) 14.824 2.104 ( -18.116 0.426 4.533) 18.679 2.455 ( -10.527 0.788 3.409) 11.094 2.573 ( -11.127 -1.321 -2.778) 11.544 2.617 ( -14.932 -0.219 -1.214) 14.983 2.659 ( -4.958 -2.910 5.630) 8.046 2.897 ( 0.027 -2.232 2.825) 3.601 3.036 ( -5.502 -3.947 10.806) 12.752 3.119 ( 1.623 3.464 -3.396) 5.115 3.285 ( -12.139 0.117 1.125) 12.192 3.395 ( -3.765 -0.804 -4.811) 6.162 3.436 ( -5.937 -1.042 -4.999) 7.831 3.677 ( 1.222 -0.695 0.740) 1.588 3.949 ( 0.962 0.563 -0.816) 1.381 4.169 ( 5.299 5.996 -8.029) 11.335 5.527 ( -50.127 0.278 3.558) 50.254 6.053 ( -21.656 -2.449 -13.774) 25.782 7.022 ( -9.190 -3.482 -1.432) 9.931 7.120 ( -0.284 -0.337 -2.805) 2.839 7.511 ( -6.473 -5.097 9.504) 12.578 7.649 ( 1.471 1.347 5.496) 5.847 7.709 ( 3.685 0.256 -0.749) 3.769 7.880 ( 2.844 -0.406 0.217) 2.881 8.175 ( -7.647 -6.976 13.000) 16.618 8.343 ( -6.321 -0.390 0.728) 6.374 8.375 ( -5.479 0.269 0.595) 5.518 8.605 ( 2.968 1.198 1.180) 3.411 8.717 ( 0.736 -0.854 -1.033) 1.529 9.217 ( 0.306 -0.364 -3.887) 3.916 9.393 ( 4.171 3.430 -1.524) 5.611 9.505 ( 3.965 1.031 -1.571) 4.388 9.766 ( 7.411 0.292 5.068) 8.983 10.186 ( 4.828 0.274 -2.768) 5.572======================= Grid point 258 (97/171) =======================q-point: (-0.29 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( -5.874 16.046 5.689) 18.009 1.116 ( -13.364 6.994 23.383) 27.826 1.521 ( -22.800 3.015 20.823) 31.025 1.660 ( -6.661 1.274 -7.889) 10.403 1.745 ( -16.464 1.600 -3.027) 16.817 2.205 ( -11.899 -0.073 1.434) 11.986 2.413 ( -3.426 -2.451 3.911) 5.748 2.439 ( -6.380 2.478 -2.969) 7.461 2.624 ( -0.710 -2.484 8.083) 8.486 2.947 ( 2.694 -5.860 5.762) 8.648 3.029 ( 0.007 -4.284 6.997) 8.205 3.071 ( -3.489 -1.456 2.615) 4.597 3.168 ( -0.360 1.503 -1.062) 1.875 3.217 ( -7.142 -3.563 1.391) 8.102 3.473 ( 2.131 -0.375 -11.168) 11.375 3.716 ( 2.133 -1.368 0.177) 2.540 3.997 ( 4.312 -0.469 -0.773) 4.406 4.227 ( 3.151 7.067 -8.408) 11.427 4.641 ( -36.606 1.417 4.881) 36.958 5.370 ( -53.168 -7.279 -30.341) 61.647 6.956 ( 1.458 -5.022 8.283) 9.796 7.091 ( -2.729 -0.460 -1.604) 3.198 7.381 ( -10.817 -11.436 22.007) 27.058 7.674 ( 1.636 2.445 4.743) 5.581 7.763 ( 1.995 0.614 -1.635) 2.652 7.901 ( -0.097 0.081 4.262) 4.263 8.122 ( -2.403 -7.917 9.763) 12.797 8.251 ( -3.058 0.208 0.212) 3.072 8.262 ( -4.617 0.275 -0.008) 4.625 8.668 ( 2.304 1.449 -1.543) 3.129 8.720 ( 0.051 -0.929 1.938) 2.150 9.227 ( 0.553 0.341 -4.811) 4.854 9.448 ( 2.898 3.365 -1.781) 4.784 9.570 ( 3.165 0.222 -0.926) 3.305 9.894 ( 5.645 0.655 5.021) 7.584 10.270 ( 3.701 0.466 -1.926) 4.198======================= Grid point 259 (98/171) =======================q-point: (-0.21 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.799 ( 0.000 11.726 15.184) 19.185 0.869 ( 0.000 19.881 7.218) 21.150 1.262 ( 0.000 6.655 42.069) 42.592 1.552 ( 0.000 0.661 -4.545) 4.593 1.596 ( 0.000 2.415 -11.974) 12.216 2.075 ( 0.000 0.451 2.827) 2.863 2.350 ( 0.000 2.635 -3.169) 4.122 2.418 ( -0.000 -4.319 3.993) 5.882 2.638 ( -0.000 -3.824 9.265) 10.023 2.959 ( -0.000 -0.022 0.697) 0.697 3.034 ( -0.000 -3.090 -0.970) 3.239 3.097 ( -0.000 -3.920 -3.676) 5.374 3.185 ( -0.000 -0.453 -1.999) 2.050 3.268 ( -0.000 -15.997 23.725) 28.615 3.498 ( -0.000 -0.312 -10.889) 10.894 3.764 ( -0.000 -2.757 0.807) 2.873 4.180 ( 0.000 1.740 1.366) 2.212 4.201 ( 0.000 0.093 0.826) 0.831 4.278 ( 0.000 7.593 -5.989) 9.671 4.370 ( 0.000 6.295 -13.750) 15.122 7.040 ( -0.000 -0.493 -0.413) 0.643 7.062 ( -0.000 -0.948 -0.909) 1.313 7.297 ( -0.000 -19.056 37.522) 42.083 7.681 ( 0.000 1.112 5.808) 5.913 7.779 ( 0.000 0.702 -1.972) 2.093 7.897 ( 0.000 0.073 6.262) 6.263 8.143 ( -0.000 -9.114 8.946) 12.771 8.214 ( 0.000 0.322 0.048) 0.326 8.220 ( 0.000 0.421 -0.095) 0.432 8.674 ( 0.000 0.608 -3.418) 3.472 8.734 ( -0.000 -0.721 4.007) 4.071 9.230 ( 0.000 1.042 -5.946) 6.036 9.461 ( 0.000 3.289 -1.499) 3.614 9.616 ( -0.000 -2.514 -1.495) 2.925 9.954 ( 0.000 0.170 5.205) 5.208 10.308 ( 0.000 0.464 -1.834) 1.892======================= Grid point 266 (99/171) =======================q-point: (-0.71 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( 4.484 -0.000 5.634) 7.200 1.913 ( 8.678 -0.000 -0.149) 8.679 2.048 ( -2.986 0.000 25.516) 25.690 2.174 ( -0.393 0.000 2.557) 2.587 2.316 ( 4.659 -0.000 -0.450) 4.681 2.668 ( -5.064 0.000 1.173) 5.198 2.707 ( -2.731 0.000 0.081) 2.732 2.820 ( -2.672 0.000 -1.143) 2.906 3.146 ( 2.733 -0.000 0.574) 2.793 3.153 ( -9.098 0.000 -5.137) 10.448 3.298 ( -1.445 0.000 -1.204) 1.881 3.619 ( -1.514 0.000 1.112) 1.878 3.699 ( -1.101 0.000 -2.510) 2.741 3.758 ( -3.710 0.000 -7.773) 8.613 3.939 ( 1.574 -0.000 0.067) 1.576 3.954 ( 5.374 -0.000 0.077) 5.374 4.445 ( -5.312 0.000 -0.541) 5.340 4.569 ( -7.247 0.000 -1.570) 7.415 6.521 ( 6.059 -0.000 2.975) 6.750 6.744 ( -5.170 0.000 2.922) 5.939 7.252 ( 4.422 -0.000 -1.026) 4.539 7.310 ( 1.902 -0.000 -3.404) 3.899 7.522 ( -3.268 0.000 18.320) 18.609 7.623 ( -0.038 0.000 5.693) 5.693 7.923 ( -2.817 0.000 -0.980) 2.982 8.142 ( 2.463 -0.000 1.443) 2.855 8.223 ( -10.652 0.000 -2.472) 10.935 8.369 ( 1.252 -0.000 -0.762) 1.466 8.578 ( 1.468 -0.000 1.911) 2.409 8.862 ( -2.519 0.000 -4.638) 5.278 9.166 ( -1.624 0.000 -0.310) 1.654 9.209 ( -0.602 0.000 -0.259) 0.655 9.324 ( -2.304 0.000 1.250) 2.621 9.392 ( -0.204 0.000 5.639) 5.643 9.470 ( -2.876 0.000 -1.791) 3.388 10.169 ( -2.417 0.000 -6.617) 7.045======================= Grid point 268 (100/171) =======================q-point: (-0.64 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( 0.138 -0.996 5.112) 5.210 1.951 ( -5.608 -0.018 25.784) 26.387 2.043 ( 1.728 -0.205 -2.679) 3.195 2.182 ( 0.959 0.021 3.968) 4.082 2.479 ( 12.077 0.915 -1.487) 12.203 2.566 ( -5.416 -0.744 1.409) 5.645 2.652 ( -3.280 -1.528 -1.157) 3.799 2.821 ( 2.872 0.203 -2.855) 4.055 2.955 ( -10.426 -0.344 -4.554) 11.382 3.203 ( 2.971 0.260 -1.681) 3.424 3.234 ( -4.978 -0.331 3.042) 5.844 3.585 ( -2.687 1.002 -0.219) 2.876 3.616 ( -10.232 -0.772 -2.195) 10.493 3.664 ( -2.628 0.104 -4.927) 5.585 3.969 ( 1.361 2.066 1.192) 2.746 4.022 ( 1.091 -1.522 0.316) 1.899 4.294 ( -9.383 2.584 -2.118) 9.960 4.369 ( -13.315 -1.447 -1.795) 13.514 6.624 ( -6.930 0.010 7.697) 10.357 6.690 ( 10.499 -0.167 0.806) 10.532 7.321 ( 1.453 -0.025 0.011) 1.453 7.368 ( 3.831 -0.034 -3.054) 4.899 7.480 ( 0.172 0.034 9.561) 9.563 7.626 ( 0.435 -0.030 4.503) 4.524 7.858 ( -4.025 -0.319 -0.061) 4.039 7.899 ( -21.937 -0.012 -0.558) 21.944 8.196 ( 3.424 0.378 1.785) 3.880 8.430 ( 4.596 0.071 -1.992) 5.009 8.594 ( 0.005 0.411 2.210) 2.248 8.771 ( -7.508 -1.054 1.403) 7.710 9.095 ( -6.791 -0.115 -4.073) 7.920 9.203 ( -0.208 -0.304 -0.552) 0.663 9.289 ( -0.284 -0.102 0.808) 0.863 9.400 ( -3.728 0.125 -1.557) 4.042 9.413 ( 2.809 -0.038 5.911) 6.545 10.113 ( -2.884 -0.008 -6.387) 7.008======================= Grid point 269 (101/171) =======================q-point: (-0.57 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( -6.448 -1.349 3.183) 7.316 1.813 ( -8.307 0.190 24.812) 26.167 2.015 ( -4.308 -1.313 -4.725) 6.528 2.193 ( 0.117 1.392 4.432) 4.647 2.454 ( -7.649 -3.603 1.130) 8.530 2.602 ( -2.692 -2.354 -2.408) 4.311 2.666 ( 2.241 1.035 -3.294) 4.116 2.827 ( 1.517 0.666 1.105) 1.992 2.900 ( 4.163 0.715 -2.585) 4.952 3.113 ( -6.915 0.204 6.469) 9.472 3.253 ( 0.007 -0.781 -4.675) 4.740 3.360 ( -14.038 -1.246 -1.211) 14.145 3.482 ( -8.379 0.950 -0.059) 8.433 3.627 ( -0.993 0.517 -2.052) 2.338 3.929 ( -7.488 2.376 1.257) 7.955 3.968 ( -9.940 -1.460 0.847) 10.082 4.098 ( -9.640 2.041 -1.522) 9.970 4.130 ( -4.530 0.846 -5.107) 6.878 6.481 ( -7.767 0.071 9.898) 12.582 6.881 ( 7.113 0.039 -2.914) 7.687 7.281 ( -26.767 0.162 -0.747) 26.778 7.304 ( -3.325 -0.339 -0.288) 3.355 7.524 ( 2.108 0.586 1.614) 2.719 7.529 ( 2.509 0.079 1.046) 2.720 7.675 ( 2.426 0.181 3.375) 4.161 7.772 ( -5.099 -1.314 0.769) 5.321 8.277 ( 5.177 0.610 2.325) 5.707 8.514 ( -0.072 2.438 -0.991) 2.633 8.570 ( -0.248 -0.148 2.633) 2.649 8.596 ( -9.616 -4.261 5.446) 11.843 8.904 ( -11.993 -0.332 -3.137) 12.401 9.202 ( -0.112 -0.515 -1.125) 1.242 9.326 ( 2.890 0.433 -1.784) 3.424 9.349 ( -0.153 -0.134 -1.559) 1.572 9.499 ( 5.622 -0.078 5.682) 7.994 10.076 ( -0.427 -0.033 -5.558) 5.575======================= Grid point 270 (102/171) =======================q-point: (-0.50 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( -8.843 1.688 2.226) 9.273 1.630 ( -10.302 0.865 25.273) 27.306 1.907 ( -7.463 -2.298 -6.945) 10.450 2.150 ( -4.149 3.311 2.208) 5.749 2.306 ( -9.809 -6.210 3.046) 12.002 2.563 ( -3.026 -1.810 -2.901) 4.566 2.627 ( -2.046 -1.414 1.000) 2.681 2.860 ( -5.881 -0.942 6.400) 8.742 2.897 ( -12.413 1.629 2.052) 12.687 2.950 ( -5.583 1.947 -0.015) 5.913 3.089 ( -2.282 -2.239 -2.194) 3.878 3.246 ( -14.184 0.056 4.610) 14.914 3.338 ( 3.164 -0.073 -9.240) 9.767 3.578 ( -9.743 2.847 0.220) 10.153 3.676 ( -8.471 -2.586 0.922) 8.905 3.703 ( -14.366 1.401 0.017) 14.435 3.986 ( -2.632 1.972 -0.774) 3.378 4.140 ( 3.775 2.313 -6.288) 7.690 6.317 ( -9.886 -0.095 4.535) 10.877 6.472 ( -44.693 -0.072 -0.389) 44.695 7.060 ( 3.745 0.454 -0.403) 3.794 7.210 ( -8.122 -0.668 -5.817) 10.012 7.561 ( -0.897 0.161 1.375) 1.650 7.624 ( 5.243 0.061 -0.017) 5.244 7.660 ( -2.859 -0.091 5.377) 6.091 7.780 ( 5.010 -1.474 0.027) 5.223 8.305 ( -12.045 -2.660 10.322) 16.084 8.389 ( 3.573 0.395 5.582) 6.640 8.469 ( -6.575 -0.393 0.933) 6.652 8.651 ( 2.574 -0.199 -1.557) 3.015 8.684 ( -8.101 -0.678 -1.646) 8.294 9.203 ( -0.075 -0.817 -1.985) 2.148 9.359 ( 3.352 2.019 -2.164) 4.471 9.424 ( 4.880 -0.282 -2.572) 5.524 9.624 ( 7.107 -0.016 5.565) 9.027 10.104 ( 3.205 -0.009 -4.023) 5.143======================= Grid point 271 (103/171) =======================q-point: (-0.43 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.283 ( -6.606 8.317 2.217) 10.850 1.411 ( -11.038 2.453 27.572) 29.801 1.765 ( -7.768 -1.650 -8.997) 12.001 1.960 ( -16.312 -2.478 4.359) 17.066 2.107 ( -14.427 0.331 2.781) 14.697 2.466 ( -10.052 1.313 2.928) 10.552 2.560 ( -9.878 -1.233 -2.034) 10.160 2.598 ( -13.582 -2.708 3.583) 14.305 2.642 ( -5.152 -1.214 1.532) 5.511 2.889 ( -2.513 0.574 3.385) 4.254 2.996 ( -6.713 -3.751 10.209) 12.781 3.154 ( 2.174 3.154 -2.509) 4.580 3.292 ( -13.036 1.214 0.993) 13.130 3.384 ( -7.352 -1.360 -3.991) 8.476 3.422 ( -4.075 -1.489 -6.238) 7.598 3.674 ( 1.405 -0.028 0.727) 1.582 3.951 ( -0.245 -0.108 -0.415) 0.494 4.222 ( 5.815 4.369 -7.993) 10.807 5.529 ( -49.860 0.232 3.251) 49.966 6.028 ( -24.169 -2.348 -14.311) 28.186 6.988 ( -11.597 -3.175 1.529) 12.121 7.116 ( 0.146 -0.373 -2.162) 2.199 7.460 ( -8.878 -4.382 12.877) 16.243 7.671 ( 2.761 2.326 3.793) 5.236 7.712 ( 3.880 0.233 -0.769) 3.962 7.875 ( 3.346 -0.460 -0.698) 3.449 8.116 ( -7.687 -4.677 14.383) 16.966 8.342 ( -6.003 0.013 0.387) 6.016 8.378 ( -5.609 0.228 0.695) 5.657 8.616 ( 3.362 0.988 1.872) 3.973 8.709 ( 0.815 -0.703 -1.651) 1.971 9.210 ( 0.372 -0.852 -2.547) 2.711 9.427 ( 4.368 3.074 -3.096) 6.173 9.512 ( 4.023 0.361 -2.199) 4.599 9.769 ( 7.648 0.277 5.229) 9.269 10.187 ( 4.889 0.113 -2.502) 5.493======================= Grid point 272 (104/171) =======================q-point: (-0.36 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( -4.817 14.798 3.885) 16.040 1.181 ( -10.354 5.707 24.888) 27.553 1.538 ( -19.644 0.326 14.908) 24.662 1.664 ( -6.078 -0.482 -7.177) 9.417 1.762 ( -16.929 1.527 -2.677) 17.207 2.208 ( -11.859 0.621 2.066) 12.053 2.395 ( -3.515 -0.809 5.145) 6.283 2.465 ( -5.425 2.458 -2.747) 6.559 2.612 ( -0.262 -0.274 6.923) 6.933 2.891 ( 2.041 -5.030 7.334) 9.124 2.973 ( 1.034 -6.135 9.202) 11.108 3.062 ( -7.194 -0.310 0.775) 7.242 3.157 ( -9.245 -3.771 1.812) 10.148 3.209 ( 0.100 1.891 -2.369) 3.033 3.467 ( 2.162 -0.744 -11.293) 11.522 3.707 ( 1.818 -0.496 -0.050) 1.885 3.991 ( 4.779 -0.701 -0.171) 4.833 4.291 ( 2.498 5.458 -8.713) 10.580 4.656 ( -35.302 1.365 4.577) 35.624 5.297 ( -52.834 -6.872 -25.543) 59.085 6.902 ( 1.568 -5.280 15.851) 16.781 7.086 ( -2.999 -0.385 -1.597) 3.419 7.283 ( -12.243 -7.419 20.881) 25.317 7.707 ( 2.099 3.439 3.038) 5.046 7.769 ( 2.094 0.525 -1.444) 2.597 7.904 ( 0.101 0.298 3.044) 3.060 8.054 ( -2.136 -5.550 9.457) 11.171 8.253 ( -2.873 0.280 0.119) 2.889 8.265 ( -4.575 0.252 0.083) 4.583 8.681 ( 1.389 1.054 -1.523) 2.315 8.713 ( 0.826 -0.524 2.238) 2.442 9.224 ( 0.519 -0.691 -2.816) 2.945 9.481 ( 2.544 3.007 -3.445) 5.233 9.572 ( 2.364 0.275 -1.556) 2.843 9.901 ( 5.741 0.711 4.796) 7.515 10.273 ( 3.595 0.133 -1.557) 3.920======================= Grid point 273 (105/171) =======================q-point: (-0.29 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( 0.000 10.206 12.248) 15.943 1.049 ( 0.000 15.292 12.935) 20.029 1.330 ( 0.000 6.624 30.557) 31.266 1.558 ( 0.000 0.663 -4.063) 4.117 1.617 ( 0.000 1.358 -10.787) 10.873 2.080 ( 0.000 0.586 3.220) 3.273 2.379 ( 0.000 3.102 -3.193) 4.451 2.382 ( -0.000 -2.071 5.867) 6.222 2.618 ( -0.000 -0.612 8.367) 8.390 2.954 ( -0.000 -1.002 0.329) 1.054 3.003 ( -0.000 -2.664 -0.744) 2.766 3.023 ( -0.000 -8.734 -2.343) 9.043 3.120 ( -0.000 -13.003 25.764) 28.860 3.206 ( 0.000 2.946 -3.641) 4.683 3.494 ( -0.000 -0.587 -11.248) 11.264 3.741 ( -0.000 -1.789 0.121) 1.793 4.198 ( 0.000 1.749 1.150) 2.094 4.202 ( 0.000 0.122 0.992) 0.999 4.348 ( 0.000 6.019 -7.156) 9.350 4.416 ( 0.000 3.051 -11.649) 12.042 7.035 ( -0.000 -0.498 -0.471) 0.686 7.053 ( -0.000 -0.952 -0.866) 1.287 7.118 ( -0.000 -15.291 43.855) 46.444 7.710 ( 0.000 3.699 3.261) 4.931 7.786 ( 0.000 0.670 -1.702) 1.829 7.900 ( 0.000 0.401 5.233) 5.248 8.065 ( -0.000 -6.410 7.514) 9.876 8.217 ( 0.000 0.325 0.066) 0.332 8.225 ( 0.000 0.413 -0.098) 0.425 8.676 ( -0.000 -0.178 -2.773) 2.778 8.733 ( 0.000 0.523 3.408) 3.448 9.232 ( -0.000 -0.365 -3.475) 3.495 9.492 ( 0.000 2.787 -3.185) 4.232 9.599 ( -0.000 -0.880 -1.448) 1.694 9.959 ( 0.000 0.675 4.665) 4.714 10.311 ( 0.000 0.063 -1.325) 1.326======================= Grid point 282 (106/171) =======================q-point: (-0.64 0.36 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( -5.985 0.000 3.096) 6.739 1.814 ( -8.232 0.000 24.886) 26.213 2.009 ( -4.505 0.000 -4.876) 6.638 2.201 ( 0.745 -0.000 4.751) 4.810 2.435 ( -8.286 0.000 0.979) 8.343 2.590 ( -2.730 0.000 -2.349) 3.601 2.671 ( 1.460 -0.000 -3.188) 3.506 2.831 ( 2.372 -0.000 1.146) 2.635 2.904 ( 4.251 -0.000 -2.855) 5.121 3.115 ( -6.439 0.000 6.320) 9.023 3.248 ( -1.324 0.000 -4.253) 4.454 3.354 ( -13.348 0.000 -1.342) 13.415 3.487 ( -8.549 0.000 -0.213) 8.551 3.630 ( -0.853 0.000 -2.038) 2.209 3.948 ( -11.150 0.000 0.925) 11.189 3.954 ( -6.726 0.000 1.208) 6.834 4.108 ( -9.402 0.000 -1.598) 9.537 4.135 ( -4.347 0.000 -5.058) 6.670 6.481 ( -7.772 0.000 9.885) 12.575 6.881 ( 7.163 -0.000 -2.939) 7.743 7.282 ( -27.404 0.000 -0.795) 27.416 7.302 ( -2.613 0.000 -0.204) 2.621 7.527 ( 1.304 -0.000 0.620) 1.444 7.528 ( 3.420 -0.000 2.020) 3.973 7.677 ( 2.776 -0.000 3.268) 4.288 7.765 ( -5.604 0.000 0.863) 5.670 8.280 ( 5.145 -0.000 2.386) 5.671 8.533 ( 4.493 -0.000 -3.511) 5.703 8.565 ( -13.026 0.000 8.336) 15.465 8.571 ( -1.658 0.000 2.533) 3.027 8.903 ( -11.975 0.000 -3.202) 12.396 9.199 ( -0.145 0.000 -1.119) 1.128 9.328 ( 3.861 -0.000 -1.860) 4.285 9.348 ( -0.939 0.000 -1.632) 1.882 9.498 ( 5.626 -0.000 5.762) 8.053 10.076 ( -0.429 0.000 -5.557) 5.573======================= Grid point 284 (107/171) =======================q-point: (-0.57 0.36 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( -7.007 0.748 1.410) 7.187 1.635 ( -10.046 0.283 25.563) 27.468 1.890 ( -7.430 -0.883 -7.204) 10.386 2.189 ( -3.650 4.081 2.895) 6.193 2.247 ( -10.094 -5.134 2.533) 11.604 2.548 ( -1.950 -0.836 -3.347) 3.963 2.619 ( -2.796 -0.290 2.046) 3.477 2.852 ( -7.288 -0.474 7.805) 10.689 2.910 ( -15.683 0.727 0.904) 15.726 2.964 ( -5.561 0.759 -0.666) 5.652 3.073 ( 2.183 -0.887 -1.693) 2.902 3.247 ( -14.740 0.019 4.623) 15.448 3.337 ( 2.966 -0.013 -9.569) 10.018 3.609 ( -7.499 3.042 0.144) 8.093 3.646 ( -12.301 -3.046 0.624) 12.688 3.714 ( -12.829 0.637 0.009) 12.845 4.000 ( -3.786 0.653 -0.632) 3.894 4.156 ( 4.390 0.799 -6.110) 7.566 6.316 ( -10.036 -0.039 4.435) 10.972 6.471 ( -44.717 -0.029 -0.482) 44.720 7.064 ( 3.840 0.190 -0.344) 3.860 7.205 ( -8.786 -0.275 -5.789) 10.525 7.561 ( -2.641 -0.056 1.723) 3.153 7.623 ( 5.267 -0.062 0.056) 5.268 7.662 ( -2.159 0.236 5.320) 5.746 7.768 ( 5.720 -0.611 -0.042) 5.752 8.285 ( -13.324 -1.024 12.359) 18.202 8.392 ( 4.034 0.175 5.357) 6.709 8.467 ( -6.270 -0.061 0.333) 6.279 8.649 ( 4.225 -0.093 -2.081) 4.710 8.680 ( -9.293 -0.184 -1.476) 9.412 9.197 ( -0.072 -0.301 -1.755) 1.782 9.375 ( 3.648 0.898 -2.364) 4.439 9.420 ( 5.060 -0.310 -2.929) 5.855 9.624 ( 7.169 -0.003 5.703) 9.160 10.104 ( 3.230 -0.007 -3.971) 5.118======================= Grid point 285 (108/171) =======================q-point: (-0.50 0.36 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( -3.494 5.532 0.268) 6.549 1.430 ( -10.364 1.178 28.086) 29.960 1.750 ( -7.204 -1.267 -9.063) 11.647 1.934 ( -18.693 -2.338 5.658) 19.670 2.112 ( -12.041 0.629 1.197) 12.117 2.480 ( -8.531 1.364 1.216) 8.724 2.548 ( -11.214 -1.121 0.832) 11.301 2.575 ( -9.881 -1.548 2.922) 10.420 2.628 ( -6.279 -1.399 2.034) 6.746 2.904 ( -4.079 2.014 2.944) 5.419 2.961 ( -7.674 -3.032 10.172) 13.098 3.181 ( 3.043 1.993 -1.606) 3.976 3.309 ( -14.289 2.022 0.956) 14.463 3.366 ( -12.408 -2.064 -2.438) 12.813 3.409 ( -0.304 -1.052 -8.434) 8.504 3.675 ( 1.440 0.194 0.607) 1.575 3.948 ( -1.000 -0.294 0.007) 1.042 4.256 ( 6.108 2.295 -8.012) 10.333 5.531 ( -49.673 0.132 3.032) 49.766 6.008 ( -26.109 -1.461 -14.593) 29.946 6.961 ( -13.153 -1.877 4.148) 13.919 7.113 ( 0.406 -0.241 -1.725) 1.788 7.426 ( -9.605 -2.197 13.734) 16.903 7.691 ( 3.256 1.532 2.997) 4.683 7.714 ( 3.959 0.035 -0.614) 4.006 7.871 ( 3.803 -0.316 -1.450) 4.082 8.081 ( -7.565 -2.280 15.087) 17.031 8.342 ( -5.904 0.052 0.295) 5.911 8.379 ( -5.714 0.129 0.826) 5.775 8.624 ( 3.652 0.568 2.463) 4.441 8.703 ( 0.815 -0.401 -2.051) 2.244 9.202 ( 0.389 -0.572 -1.928) 2.048 9.453 ( 4.427 1.960 -3.638) 6.056 9.513 ( 4.112 -0.155 -2.709) 4.927 9.771 ( 7.826 0.174 5.344) 9.478 10.188 ( 4.897 0.024 -2.347) 5.431======================= Grid point 286 (109/171) =======================q-point: (-0.43 0.36 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( -10.513 3.663 24.392) 26.812 1.273 ( -2.582 12.445 4.135) 13.365 1.526 ( -17.413 -2.717 12.120) 21.388 1.654 ( -4.738 -1.192 -7.814) 9.215 1.773 ( -17.694 0.685 -2.379) 17.866 2.216 ( -12.399 0.766 2.278) 12.629 2.397 ( -1.952 1.150 5.283) 5.748 2.487 ( -4.139 1.855 -2.690) 5.274 2.611 ( 0.338 -0.152 6.275) 6.286 2.851 ( 0.248 -2.441 9.567) 9.877 2.913 ( -0.290 -5.301 8.824) 10.298 3.062 ( -8.516 0.191 1.027) 8.579 3.116 ( -11.525 -3.785 2.350) 12.356 3.230 ( 1.420 1.831 -3.493) 4.192 3.459 ( 2.148 -0.812 -11.472) 11.700 3.705 ( 1.506 -0.060 -0.312) 1.539 3.984 ( 5.336 -0.622 0.382) 5.386 4.336 ( 1.815 3.426 -8.969) 9.772 4.668 ( -34.089 1.001 4.323) 34.377 5.236 ( -52.129 -4.878 -21.698) 56.675 6.855 ( 1.252 -3.714 21.362) 21.718 7.083 ( -3.145 -0.263 -1.566) 3.523 7.228 ( -12.119 -3.679 17.139) 21.311 7.738 ( 2.306 2.565 2.197) 4.090 7.773 ( 2.139 0.264 -1.228) 2.480 7.907 ( 0.345 0.398 1.163) 1.277 8.009 ( -2.077 -3.475 10.637) 11.381 8.256 ( -2.788 0.205 0.102) 2.797 8.267 ( -4.541 0.176 0.145) 4.547 8.688 ( -0.559 0.241 -1.985) 2.077 8.711 ( 2.751 0.175 3.236) 4.251 9.216 ( 0.522 -0.765 -1.746) 1.977 9.507 ( 2.125 2.203 -3.998) 5.036 9.574 ( 2.108 0.037 -2.038) 2.933 9.908 ( 5.869 0.562 4.690) 7.534 10.274 ( 3.485 -0.036 -1.344) 3.735======================= Grid point 287 (110/171) =======================q-point: (-0.36 0.36 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.002 ( 0.000 7.369 10.254) 12.627 1.176 ( 0.000 9.526 25.137) 26.882 1.395 ( 0.000 5.912 13.741) 14.959 1.565 ( 0.000 0.533 -3.634) 3.673 1.622 ( -0.000 -0.388 -9.768) 9.775 2.086 ( 0.000 0.574 3.584) 3.629 2.382 ( 0.000 1.990 7.129) 7.401 2.411 ( 0.000 3.009 -3.333) 4.490 2.619 ( 0.000 0.514 7.170) 7.189 2.935 ( -0.000 -2.722 0.368) 2.747 2.935 ( -0.000 -8.194 -0.970) 8.252 2.986 ( -0.000 -0.789 -0.805) 1.127 3.004 ( -0.000 -9.685 25.892) 27.644 3.234 ( 0.000 2.439 -4.113) 4.782 3.486 ( -0.000 -0.855 -11.434) 11.466 3.727 ( -0.000 -0.956 -0.472) 1.067 4.204 ( 0.000 0.119 1.142) 1.148 4.214 ( 0.000 1.410 0.962) 1.707 4.395 ( 0.000 2.950 -9.343) 9.797 4.440 ( 0.000 2.225 -7.988) 8.292 6.992 ( -0.000 -9.464 43.618) 44.633 7.030 ( -0.000 -0.403 -0.524) 0.661 7.044 ( -0.000 -0.766 -0.828) 1.129 7.746 ( 0.000 3.291 2.231) 3.976 7.792 ( 0.000 0.420 -1.455) 1.515 7.905 ( 0.000 0.544 3.756) 3.795 8.011 ( -0.000 -4.413 8.045) 9.175 8.220 ( 0.000 0.262 0.081) 0.274 8.228 ( 0.000 0.327 -0.100) 0.342 8.672 ( -0.000 -0.456 -2.153) 2.201 8.741 ( 0.000 0.907 3.306) 3.428 9.226 ( -0.000 -0.817 -1.932) 2.097 9.517 ( 0.000 2.115 -3.864) 4.405 9.595 ( -0.000 -0.155 -1.644) 1.651 9.967 ( 0.000 0.746 4.390) 4.453 10.310 ( -0.000 -0.139 -1.046) 1.055======================= Grid point 298 (111/171) =======================q-point: (-0.57 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( -2.094 0.000 -0.953) 2.301 1.436 ( -10.235 0.000 28.581) 30.358 1.743 ( -7.003 0.000 -9.060) 11.451 1.920 ( -19.673 0.000 6.393) 20.686 2.116 ( -11.408 0.000 0.574) 11.422 2.489 ( -7.021 0.000 -0.566) 7.043 2.541 ( -13.247 0.000 4.281) 13.921 2.567 ( -7.890 0.000 0.748) 7.925 2.619 ( -6.690 0.000 2.989) 7.327 2.921 ( -3.143 0.000 -1.364) 3.426 2.939 ( -9.393 0.000 14.187) 17.015 3.191 ( 3.542 -0.000 -1.174) 3.732 3.325 ( -14.660 0.000 1.629) 14.750 3.350 ( -14.859 0.000 -2.390) 15.050 3.403 ( 1.377 -0.000 -9.499) 9.598 3.677 ( 1.421 -0.000 0.536) 1.519 3.946 ( -1.253 0.000 0.192) 1.267 4.268 ( 6.203 -0.000 -8.025) 10.143 5.532 ( -49.606 0.000 2.953) 49.694 6.001 ( -26.840 0.000 -14.670) 30.587 6.951 ( -13.665 0.000 5.168) 14.610 7.111 ( 0.492 -0.000 -1.571) 1.646 7.415 ( -9.751 0.000 13.826) 16.919 7.700 ( 3.390 -0.000 2.772) 4.379 7.713 ( 3.987 -0.000 -0.570) 4.028 7.869 ( 3.987 -0.000 -1.743) 4.351 8.069 ( -7.520 0.000 15.332) 17.077 8.342 ( -5.880 0.000 0.274) 5.886 8.380 ( -5.752 0.000 0.879) 5.819 8.627 ( 3.763 -0.000 2.703) 4.633 8.701 ( 0.805 -0.000 -2.200) 2.343 9.199 ( 0.388 -0.000 -1.756) 1.798 9.464 ( 4.439 -0.000 -3.712) 5.786 9.512 ( 4.154 -0.000 -2.938) 5.088 9.772 ( 7.892 -0.000 5.386) 9.555 10.188 ( 4.894 -0.000 -2.297) 5.406======================= Grid point 300 (112/171) =======================q-point: (-0.50 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( -9.353 1.182 26.033) 27.688 1.382 ( -0.688 8.388 -0.065) 8.417 1.484 ( -18.421 -4.984 13.497) 23.374 1.644 ( -3.877 -0.568 -8.392) 9.262 1.777 ( -18.231 0.162 -2.108) 18.353 2.221 ( -12.887 0.296 2.354) 13.103 2.411 ( -0.311 1.011 4.234) 4.365 2.500 ( -3.200 0.688 -2.857) 4.345 2.607 ( 0.985 -0.440 7.050) 7.132 2.843 ( -1.024 0.743 13.334) 13.394 2.869 ( -1.712 -3.233 5.788) 6.847 3.064 ( -10.689 0.154 3.554) 11.265 3.087 ( -10.833 -1.621 0.182) 10.955 3.244 ( 1.653 0.694 -3.724) 4.133 3.453 ( 2.126 -0.364 -11.638) 11.836 3.705 ( 1.305 0.025 -0.486) 1.393 3.979 ( 5.727 -0.248 0.718) 5.777 4.360 ( 1.371 1.166 -9.104) 9.280 4.675 ( -33.337 0.370 4.175) 33.600 5.202 ( -51.611 -1.760 -19.618) 55.241 6.829 ( 1.014 -1.292 23.780) 23.837 7.081 ( -3.200 -0.095 -1.533) 3.549 7.204 ( -11.852 -1.097 14.963) 19.120 7.757 ( 2.382 1.005 1.728) 3.110 7.774 ( 2.151 -0.007 -1.067) 2.401 7.911 ( 0.583 0.228 -1.017) 1.194 7.984 ( -2.161 -1.242 12.586) 12.831 8.257 ( -2.749 0.074 0.097) 2.751 8.269 ( -4.522 0.063 0.179) 4.526 8.688 ( -1.528 -0.044 -1.995) 2.513 8.714 ( 3.731 0.206 3.636) 5.214 9.210 ( 0.513 -0.314 -1.329) 1.459 9.524 ( 1.821 0.879 -3.989) 4.472 9.574 ( 2.125 -0.088 -2.396) 3.204 9.912 ( 5.955 0.216 4.652) 7.560 10.273 ( 3.418 -0.036 -1.254) 3.641======================= Grid point 301 (113/171) =======================q-point: (-0.43 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( 0.000 3.828 9.103) 9.875 1.245 ( 0.000 4.211 36.819) 37.059 1.445 ( 0.000 3.754 -0.878) 3.856 1.569 ( 0.000 0.297 -3.341) 3.354 1.614 ( -0.000 -0.900 -8.934) 8.979 2.091 ( 0.000 0.360 3.840) 3.856 2.413 ( 0.000 3.394 6.588) 7.410 2.437 ( 0.000 1.974 -3.549) 4.061 2.624 ( 0.000 0.298 7.457) 7.463 2.864 ( -0.000 -5.396 0.013) 5.396 2.908 ( -0.000 -2.146 0.692) 2.254 2.927 ( -0.000 -5.357 25.666) 26.219 2.982 ( -0.000 -0.122 -1.033) 1.040 3.254 ( 0.000 1.389 -4.272) 4.492 3.478 ( -0.000 -0.672 -11.599) 11.619 3.721 ( -0.000 -0.375 -0.863) 0.941 4.205 ( 0.000 0.074 1.247) 1.249 4.225 ( 0.000 0.785 0.836) 1.147 4.410 ( 0.000 0.448 -10.055) 10.065 4.462 ( 0.000 1.823 -6.106) 6.372 6.923 ( -0.000 -4.408 42.289) 42.518 7.027 ( -0.000 -0.225 -0.559) 0.603 7.038 ( -0.000 -0.427 -0.803) 0.909 7.773 ( 0.000 1.896 1.583) 2.470 7.795 ( 0.000 0.095 -1.261) 1.265 7.911 ( 0.000 0.521 1.290) 1.391 7.976 ( -0.000 -2.403 10.257) 10.535 8.222 ( 0.000 0.146 0.092) 0.172 8.231 ( 0.000 0.180 -0.102) 0.207 8.668 ( -0.000 -0.311 -1.858) 1.884 8.750 ( 0.000 0.627 3.575) 3.630 9.218 ( -0.000 -0.597 -1.212) 1.351 9.534 ( 0.000 1.226 -3.794) 3.987 9.594 ( -0.000 -0.031 -2.010) 2.010 9.973 ( 0.000 0.480 4.276) 4.303 10.309 ( -0.000 -0.142 -0.928) 0.938======================= Grid point 315 (114/171) =======================q-point: ( 0.50 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( 0.000 0.000 8.727) 8.727 1.265 ( 0.000 0.000 40.962) 40.962 1.465 ( 0.000 0.000 -6.071) 6.071 1.570 ( 0.000 0.000 -3.237) 3.237 1.608 ( 0.000 0.000 -8.550) 8.550 2.093 ( 0.000 0.000 3.932) 3.932 2.434 ( 0.000 0.000 5.567) 5.567 2.448 ( 0.000 0.000 -3.665) 3.665 2.625 ( 0.000 0.000 8.731) 8.731 2.835 ( 0.000 0.000 -0.488) 0.488 2.896 ( 0.000 0.000 0.863) 0.863 2.899 ( 0.000 0.000 25.996) 25.996 2.982 ( 0.000 0.000 -1.134) 1.134 3.261 ( 0.000 0.000 -4.292) 4.292 3.474 ( 0.000 0.000 -11.680) 11.680 3.719 ( 0.000 0.000 -0.996) 0.996 4.205 ( 0.000 0.000 1.285) 1.285 4.229 ( 0.000 0.000 0.791) 0.791 4.412 ( 0.000 0.000 -9.750) 9.750 4.472 ( 0.000 0.000 -5.977) 5.977 6.900 ( 0.000 0.000 41.706) 41.706 7.026 ( 0.000 0.000 -0.572) 0.572 7.035 ( 0.000 0.000 -0.794) 0.794 7.783 ( 0.000 0.000 1.359) 1.359 7.795 ( 0.000 0.000 -1.203) 1.203 7.914 ( 0.000 0.000 -0.740) 0.740 7.963 ( 0.000 0.000 12.250) 12.250 8.223 ( 0.000 0.000 0.095) 0.095 8.232 ( 0.000 0.000 -0.102) 0.102 8.667 ( 0.000 0.000 -1.779) 1.779 8.753 ( 0.000 0.000 3.737) 3.737 9.215 ( 0.000 0.000 -1.018) 1.018 9.540 ( 0.000 0.000 -3.625) 3.625 9.594 ( 0.000 0.000 -2.233) 2.233 9.976 ( 0.000 0.000 4.248) 4.248 10.308 ( 0.000 0.000 -0.898) 0.898======================= Grid point 410 (115/171) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.724 ( 0.000 0.000 20.485) 20.485 1.020 ( 0.000 0.000 19.822) 19.822 1.163 ( 0.000 0.000 -20.997) 20.997 1.357 ( 0.000 0.000 -12.438) 12.438 2.111 ( 0.000 0.000 39.326) 39.326 2.132 ( 0.000 0.000 3.823) 3.823 2.221 ( 0.000 0.000 -4.537) 4.537 2.682 ( 0.000 0.000 -16.722) 16.722 2.687 ( 0.000 0.000 14.792) 14.792 2.998 ( 0.000 0.000 2.359) 2.359 3.047 ( 0.000 0.000 -2.281) 2.281 3.098 ( 0.000 0.000 -21.594) 21.594 3.107 ( 0.000 0.000 8.819) 8.819 3.261 ( 0.000 0.000 -6.331) 6.331 3.831 ( 0.000 0.000 4.012) 4.012 3.942 ( 0.000 0.000 -6.433) 6.433 3.945 ( 0.000 0.000 3.432) 3.432 4.007 ( 0.000 0.000 -2.569) 2.569 4.187 ( 0.000 0.000 1.606) 1.606 4.206 ( 0.000 0.000 -0.185) 0.185 7.045 ( 0.000 0.000 0.147) 0.147 7.057 ( 0.000 0.000 -0.953) 0.953 7.583 ( 0.000 0.000 5.034) 5.034 7.683 ( 0.000 0.000 -4.361) 4.361 7.934 ( 0.000 0.000 4.334) 4.334 7.992 ( 0.000 0.000 -0.530) 0.530 8.209 ( 0.000 0.000 0.049) 0.049 8.210 ( 0.000 0.000 -0.095) 0.095 8.492 ( 0.000 0.000 0.612) 0.612 8.551 ( 0.000 0.000 -4.389) 4.389 8.932 ( 0.000 0.000 3.482) 3.482 9.010 ( 0.000 0.000 -3.809) 3.809 9.477 ( 0.000 0.000 4.934) 4.934 9.592 ( 0.000 0.000 -6.007) 6.007 10.099 ( 0.000 0.000 4.726) 4.726 10.194 ( 0.000 0.000 -4.392) 4.392======================= Grid point 411 (116/171) =======================q-point: ( 0.07 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( 14.545 -2.669 17.629) 23.010 1.276 ( 11.237 -1.108 -17.723) 21.014 1.309 ( 22.255 -1.448 14.693) 26.707 1.581 ( 19.517 -0.534 -10.063) 21.965 2.206 ( 11.309 -0.166 32.499) 34.410 2.247 ( 10.201 -0.199 4.880) 11.310 2.306 ( 8.179 -0.485 -3.665) 8.976 2.648 ( -1.227 3.853 10.400) 11.158 2.716 ( 1.914 -2.570 -9.510) 10.036 3.019 ( -0.842 0.266 3.769) 3.871 3.059 ( -1.151 1.283 -7.702) 7.892 3.108 ( 2.322 0.218 -16.867) 17.027 3.166 ( 7.589 0.226 5.382) 9.307 3.274 ( 2.627 0.870 -4.570) 5.343 3.527 ( -12.450 0.630 13.738) 18.551 3.768 ( -7.295 3.008 -9.337) 12.225 3.878 ( -3.434 -4.017 1.773) 5.574 3.942 ( -3.276 -0.660 -3.260) 4.668 4.749 ( 42.167 -0.062 7.879) 42.897 4.977 ( 49.154 0.274 -15.715) 51.606 7.034 ( -0.781 0.136 0.763) 1.101 7.063 ( 0.318 0.112 -1.896) 1.925 7.584 ( -0.163 -0.808 4.517) 4.591 7.674 ( -1.017 -0.489 -3.881) 4.042 7.911 ( -1.880 1.296 3.846) 4.473 7.963 ( -2.631 0.540 -0.559) 2.743 8.244 ( 3.102 -0.083 0.376) 3.126 8.252 ( 4.081 -0.057 -0.349) 4.096 8.501 ( 1.265 1.443 0.549) 1.996 8.549 ( -0.352 -0.667 -3.665) 3.742 8.907 ( -1.459 1.192 5.505) 5.819 9.010 ( -0.068 -1.148 -4.455) 4.602 9.455 ( -2.163 -0.214 4.006) 4.558 9.540 ( -4.480 0.229 -3.795) 5.875 10.030 ( -6.052 0.143 6.552) 8.920 10.153 ( -4.053 -0.405 -5.313) 6.695======================= Grid point 412 (117/171) =======================q-point: ( 0.14 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.242 ( 19.349 -1.358 13.579) 23.677 1.542 ( 15.086 -0.380 -14.187) 20.712 1.714 ( 16.512 -1.838 15.482) 22.709 1.962 ( 16.394 -0.592 -8.403) 18.431 2.440 ( 10.834 0.796 14.501) 18.119 2.501 ( 9.331 -0.432 -1.117) 9.408 2.591 ( 19.467 0.672 9.732) 21.775 2.621 ( 5.070 0.166 10.967) 12.083 2.814 ( 9.190 1.019 -7.421) 11.856 2.968 ( -3.543 -0.234 4.201) 5.500 2.994 ( -3.997 2.834 -7.602) 9.044 3.136 ( 0.697 -0.421 -16.608) 16.628 3.333 ( 5.659 0.785 3.540) 6.721 3.374 ( 7.836 2.504 0.419) 8.238 3.446 ( 5.222 -1.706 9.687) 11.136 3.678 ( -0.743 1.727 -9.584) 9.767 3.829 ( -3.520 -4.469 0.596) 5.720 3.876 ( -3.710 -1.333 -2.493) 4.664 5.643 ( 46.912 0.236 7.436) 47.498 5.839 ( 38.159 0.648 -11.611) 39.891 7.033 ( 1.211 0.156 -0.611) 1.365 7.057 ( -1.039 -0.170 -2.367) 2.591 7.581 ( -0.787 -1.058 3.600) 3.834 7.648 ( -2.051 -0.541 -2.695) 3.429 7.860 ( -2.087 2.196 2.912) 4.202 7.897 ( -3.521 0.457 -0.326) 3.565 8.314 ( 3.526 -0.333 0.735) 3.618 8.339 ( 3.529 -0.272 -1.493) 3.841 8.531 ( 2.785 1.000 0.208) 2.967 8.552 ( 0.942 -0.916 -1.621) 2.086 8.894 ( 1.435 2.180 7.798) 8.223 9.030 ( 1.757 -1.212 -5.278) 5.693 9.404 ( -3.039 0.013 2.321) 3.824 9.446 ( -4.730 -0.356 -1.596) 5.005 9.897 ( -7.182 -0.102 7.825) 10.622 10.057 ( -5.596 -0.432 -7.028) 8.994======================= Grid point 413 (118/171) =======================q-point: ( 0.21 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 17.673 1.386 10.240) 20.472 1.830 ( 14.144 1.744 -9.438) 17.093 1.980 ( 10.610 -1.802 13.224) 17.049 2.179 ( 6.507 0.009 -5.768) 8.695 2.555 ( 0.536 1.801 13.316) 13.448 2.628 ( 7.173 1.030 0.508) 7.264 2.678 ( 4.578 -2.041 2.675) 5.682 2.878 ( -4.642 2.362 -2.911) 5.966 2.901 ( -3.613 -0.197 3.160) 4.804 3.036 ( 9.103 0.511 -7.618) 11.881 3.068 ( 19.556 1.691 1.501) 19.686 3.187 ( 7.962 2.850 -8.030) 11.662 3.382 ( 2.467 -0.917 6.807) 7.298 3.495 ( 2.741 -0.313 -3.664) 4.586 3.667 ( 14.387 -0.738 3.339) 14.788 3.748 ( 6.923 0.554 -1.053) 7.024 3.816 ( 2.678 -4.106 -4.280) 6.508 3.827 ( -2.099 -3.310 -1.511) 4.201 6.421 ( 21.586 0.197 3.938) 21.943 6.471 ( 35.679 0.226 -0.932) 35.692 7.039 ( 0.961 -0.389 1.089) 1.503 7.105 ( 6.979 -0.137 -5.287) 8.757 7.558 ( -2.239 -0.824 2.156) 3.215 7.593 ( -4.036 -0.441 -1.198) 4.233 7.814 ( -1.723 1.950 2.524) 3.625 7.841 ( -1.257 0.874 -0.002) 1.531 8.344 ( -2.257 -0.863 0.487) 2.465 8.369 ( 0.673 -1.538 -1.625) 2.337 8.594 ( 3.492 0.111 1.408) 3.767 8.633 ( 6.644 -0.073 -1.921) 6.916 8.945 ( 5.325 3.582 8.447) 10.609 9.094 ( 4.224 -0.399 -5.390) 6.859 9.342 ( -2.898 0.640 1.309) 3.244 9.369 ( -3.394 -0.772 -1.164) 3.670 9.763 ( -6.604 -0.164 8.557) 10.810 9.956 ( -4.632 -0.228 -9.022) 10.144======================= Grid point 414 (119/171) =======================q-point: ( 0.29 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 9.658 3.940 7.486) 12.839 2.030 ( 6.571 4.269 -6.644) 10.273 2.151 ( 5.834 -2.185 8.233) 10.325 2.268 ( 3.394 -1.576 -1.736) 4.125 2.530 ( -2.557 -1.607 15.734) 16.021 2.730 ( 2.057 0.244 -2.536) 3.274 2.764 ( 4.617 4.073 -0.375) 6.168 2.791 ( -0.324 2.948 -2.819) 4.092 2.860 ( -0.417 -0.595 5.396) 5.445 3.094 ( 0.933 0.715 -12.462) 12.518 3.296 ( 5.618 3.233 4.896) 8.124 3.382 ( 8.739 2.123 -3.572) 9.676 3.469 ( 5.594 -0.807 1.435) 5.831 3.523 ( 1.547 -0.823 -3.712) 4.105 3.786 ( 0.416 -5.122 2.107) 5.554 3.830 ( -0.267 -6.597 -2.099) 6.928 4.006 ( 17.403 -0.069 1.307) 17.453 4.044 ( 14.954 0.311 -2.640) 15.189 6.673 ( 6.036 -0.066 7.955) 9.986 6.802 ( 0.018 0.006 -4.751) 4.751 7.271 ( 17.171 0.011 0.387) 17.175 7.294 ( 8.670 0.130 -1.580) 8.813 7.529 ( 1.764 -0.657 1.279) 2.275 7.532 ( 1.708 -0.370 0.632) 1.859 7.781 ( -0.495 1.028 4.099) 4.254 7.841 ( 1.477 1.349 -1.462) 2.478 8.285 ( -3.645 -1.304 3.379) 5.138 8.366 ( -1.737 -1.574 -4.067) 4.694 8.652 ( 2.087 0.115 4.637) 5.086 8.753 ( 4.709 0.299 -4.331) 6.405 9.057 ( 7.611 3.488 7.288) 11.100 9.186 ( 4.981 1.126 -4.296) 6.673 9.302 ( -0.454 0.075 0.863) 0.978 9.324 ( -1.475 -0.052 -1.034) 1.802 9.650 ( -4.886 -0.210 9.953) 11.089 9.893 ( -1.666 -0.022 -11.738) 11.856======================= Grid point 415 (120/171) =======================q-point: ( 0.36 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( -3.104 3.124 5.215) 6.826 2.019 ( -5.457 2.307 -4.269) 7.303 2.220 ( 0.686 -1.537 4.025) 4.363 2.292 ( -2.487 -2.758 -2.673) 4.575 2.548 ( 4.793 0.038 20.842) 21.386 2.720 ( -0.114 0.938 -1.031) 1.398 2.792 ( 0.877 4.434 3.304) 5.598 2.843 ( 5.441 4.863 -0.004) 7.298 2.930 ( 7.178 1.027 -0.850) 7.301 3.117 ( 1.878 0.742 -8.950) 9.175 3.335 ( 0.529 1.553 3.012) 3.430 3.454 ( 0.334 0.286 -9.795) 9.805 3.550 ( 3.889 -0.982 2.289) 4.618 3.610 ( 4.969 -0.101 -3.212) 5.918 3.825 ( 0.448 -5.221 1.427) 5.431 3.856 ( -1.093 -6.347 -1.868) 6.706 4.287 ( 11.819 1.038 2.407) 12.106 4.338 ( 13.680 -0.455 -2.437) 13.903 6.729 ( -1.759 0.339 1.422) 2.288 6.729 ( -2.615 0.347 1.268) 2.927 7.306 ( -3.980 -0.063 -0.398) 4.001 7.319 ( -3.892 -0.020 -1.687) 4.242 7.702 ( 11.684 0.168 7.824) 14.062 7.731 ( 3.689 0.435 3.693) 5.238 7.874 ( 10.819 0.480 -1.409) 10.921 7.881 ( 8.065 0.513 -1.947) 8.312 8.228 ( -2.672 -1.087 5.261) 6.000 8.332 ( -2.028 -0.959 -4.375) 4.916 8.665 ( -0.716 -0.089 5.737) 5.782 8.791 ( -0.424 0.416 -5.893) 5.922 9.178 ( 5.616 2.713 4.719) 7.821 9.246 ( 1.544 2.384 -1.358) 3.149 9.312 ( 1.132 0.015 0.670) 1.315 9.343 ( 3.646 -0.691 -2.132) 4.280 9.586 ( -1.686 -0.367 12.596) 12.713 9.894 ( 1.473 -0.000 -14.495) 14.570======================= Grid point 416 (121/171) =======================q-point: ( 0.43 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.773 ( -8.254 0.884 4.371) 9.382 1.851 ( -9.056 -0.255 -2.995) 9.542 2.227 ( 0.041 -0.248 2.198) 2.213 2.262 ( -1.061 -1.069 -1.132) 1.884 2.641 ( 3.679 0.938 18.391) 18.779 2.709 ( -0.161 2.676 1.875) 3.272 2.794 ( 1.421 2.365 6.735) 7.278 2.933 ( 5.023 2.795 0.905) 5.819 3.079 ( 7.942 0.542 -3.119) 8.550 3.143 ( 0.763 0.094 -1.786) 1.945 3.307 ( -2.684 1.302 -0.627) 3.048 3.447 ( -0.359 0.006 -15.604) 15.608 3.638 ( 4.775 0.276 2.139) 5.239 3.690 ( 2.943 -1.180 -2.596) 4.098 3.833 ( -2.812 -4.132 -0.052) 4.998 3.850 ( -1.419 -3.596 -1.243) 4.061 4.458 ( 6.200 0.740 4.324) 7.595 4.544 ( 7.164 -0.203 -3.784) 8.105 6.627 ( -4.267 0.574 4.970) 6.575 6.731 ( -0.248 0.451 -4.174) 4.206 7.231 ( -3.031 -0.185 0.156) 3.040 7.254 ( -2.365 -0.010 -2.005) 3.101 7.752 ( 0.586 0.228 6.196) 6.227 7.857 ( 3.600 0.574 -1.261) 3.857 7.971 ( 6.281 0.300 11.627) 13.218 8.149 ( 9.307 0.181 -5.305) 10.714 8.195 ( -1.180 -0.671 6.486) 6.627 8.316 ( 0.693 -0.406 -3.890) 3.972 8.636 ( -1.992 -0.234 4.925) 5.317 8.758 ( -2.047 0.199 -6.690) 6.999 9.224 ( 0.644 1.595 1.254) 2.128 9.238 ( -0.638 1.356 -0.317) 1.532 9.362 ( 3.037 -0.109 2.484) 3.925 9.418 ( 3.143 -0.164 -2.658) 4.119 9.582 ( 0.598 -0.298 14.649) 14.664 9.932 ( 1.918 -0.030 -15.963) 16.078======================= Grid point 417 (122/171) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( -0.000 -0.000 4.396) 4.396 1.751 ( -0.000 -0.000 -2.779) 2.779 2.228 ( 0.000 -0.000 1.919) 1.919 2.256 ( 0.000 -0.000 -0.787) 0.787 2.673 ( 0.000 -0.000 15.775) 15.775 2.697 ( 0.000 -0.000 2.069) 2.069 2.807 ( 0.000 -0.000 10.023) 10.023 2.980 ( 0.000 -0.000 1.301) 1.301 3.143 ( -0.000 -0.000 2.752) 2.752 3.217 ( -0.001 0.000 -1.714) 1.714 3.220 ( 0.001 -0.000 -4.461) 4.461 3.444 ( 0.000 -0.000 -18.941) 18.941 3.712 ( -0.001 -0.001 0.408) 0.408 3.715 ( 0.001 0.000 0.097) 0.097 3.797 ( 0.000 0.000 0.515) 0.515 3.841 ( 0.000 0.000 -2.798) 2.798 4.517 ( 0.000 -0.000 4.947) 4.947 4.614 ( 0.000 -0.000 -4.261) 4.261 6.580 ( 0.000 -0.000 6.476) 6.476 6.725 ( -0.000 -0.000 -6.666) 6.666 7.201 ( 0.000 -0.000 0.733) 0.733 7.231 ( 0.000 -0.000 -2.182) 2.182 7.758 ( 0.000 -0.000 6.558) 6.558 7.885 ( 0.000 -0.000 -5.437) 5.437 8.041 ( 0.000 -0.000 17.064) 17.064 8.185 ( -0.000 -0.000 7.350) 7.350 8.222 ( 0.000 -0.000 -4.988) 4.988 8.347 ( 0.000 -0.000 -4.685) 4.685 8.611 ( 0.000 -0.000 4.441) 4.441 8.734 ( 0.000 -0.000 -7.199) 7.199 9.221 ( 0.000 -0.000 0.508) 0.508 9.226 ( 0.000 -0.000 -0.126) 0.126 9.396 ( 0.000 -0.000 2.539) 2.539 9.451 ( 0.000 -0.000 -2.605) 2.605 9.591 ( 0.000 -0.000 15.278) 15.278 9.953 ( 0.000 -0.000 -16.342) 16.342======================= Grid point 426 (123/171) =======================q-point: ( 0.07 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( 20.154 -0.000 13.865) 24.463 1.540 ( 15.549 -0.000 -14.304) 21.128 1.704 ( 16.741 -0.000 15.666) 22.927 1.959 ( 16.585 -0.000 -8.772) 18.762 2.444 ( 11.364 -0.000 14.303) 18.268 2.499 ( 9.979 -0.000 -1.290) 10.062 2.594 ( 19.234 -0.000 10.624) 21.973 2.622 ( 3.765 -0.000 11.887) 12.469 2.820 ( 9.882 -0.000 -9.275) 13.553 2.967 ( -3.733 0.000 5.301) 6.483 3.009 ( -4.100 0.000 -7.607) 8.641 3.134 ( 0.795 -0.000 -17.126) 17.144 3.337 ( 5.469 -0.000 3.671) 6.587 3.389 ( 7.926 -0.000 -2.087) 8.196 3.435 ( 4.770 -0.000 12.168) 13.070 3.689 ( -1.063 0.000 -11.988) 12.035 3.803 ( -3.302 0.000 3.173) 4.579 3.869 ( -3.895 0.000 -2.735) 4.760 5.644 ( 46.922 -0.000 7.534) 47.523 5.842 ( 38.017 -0.000 -11.699) 39.776 7.034 ( 1.193 -0.000 -0.785) 1.428 7.056 ( -1.173 0.000 -2.332) 2.611 7.576 ( -0.640 0.000 3.710) 3.765 7.646 ( -1.953 0.000 -2.834) 3.442 7.873 ( -2.072 0.000 2.413) 3.180 7.899 ( -3.750 0.000 0.180) 3.754 8.313 ( 3.449 -0.000 0.666) 3.513 8.338 ( 3.353 -0.000 -1.559) 3.698 8.538 ( 2.262 -0.000 -0.714) 2.372 8.546 ( 1.252 -0.000 -1.295) 1.802 8.906 ( 1.615 -0.000 6.949) 7.134 9.023 ( 1.960 -0.000 -4.334) 4.756 9.404 ( -2.845 0.000 2.218) 3.608 9.444 ( -4.920 0.000 -1.459) 5.132 9.897 ( -7.210 0.000 7.782) 10.608 10.055 ( -5.515 0.000 -6.955) 8.876======================= Grid point 427 (124/171) =======================q-point: ( 0.14 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 18.635 0.534 10.476) 21.385 1.842 ( 14.905 0.595 -9.111) 17.479 1.968 ( 10.779 -0.607 13.288) 17.122 2.180 ( 6.577 0.040 -7.094) 9.673 2.569 ( -2.132 0.731 13.629) 13.814 2.639 ( 7.667 1.234 1.000) 7.830 2.656 ( 6.969 -2.074 3.296) 7.983 2.890 ( -3.835 0.165 4.283) 5.752 2.907 ( -5.443 0.903 -4.578) 7.169 3.039 ( 7.495 0.125 -10.531) 12.926 3.082 ( 21.374 0.786 4.146) 21.786 3.211 ( 10.160 1.381 -7.962) 12.982 3.373 ( 1.365 -0.612 7.124) 7.279 3.493 ( 1.745 -0.039 -4.134) 4.487 3.662 ( 14.108 -0.309 3.375) 14.510 3.754 ( 2.459 0.843 0.597) 2.667 3.778 ( 3.785 -2.792 -5.068) 6.914 3.808 ( 0.946 -0.715 -2.110) 2.421 6.423 ( 21.334 0.063 4.001) 21.706 6.472 ( 35.666 0.075 -0.881) 35.677 7.036 ( 0.922 -0.141 1.077) 1.425 7.104 ( 7.006 -0.058 -5.438) 8.869 7.552 ( -2.055 -0.305 2.313) 3.109 7.589 ( -3.962 -0.152 -1.318) 4.179 7.829 ( -2.642 0.906 2.121) 3.507 7.846 ( -0.641 0.130 0.528) 0.841 8.338 ( -2.687 -0.272 0.134) 2.704 8.358 ( 0.794 -0.600 -1.640) 1.919 8.595 ( 3.471 0.053 1.242) 3.687 8.632 ( 6.796 -0.021 -1.897) 7.056 8.972 ( 5.328 1.472 6.906) 8.845 9.089 ( 4.631 -0.327 -4.029) 6.147 9.350 ( -2.679 0.802 0.571) 2.855 9.360 ( -3.441 -0.857 -0.430) 3.572 9.761 ( -6.595 -0.059 8.532) 10.784 9.954 ( -4.517 -0.088 -9.009) 10.078======================= Grid point 428 (125/171) =======================q-point: ( 0.21 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 10.092 2.397 7.768) 12.959 2.067 ( 7.191 2.788 -6.447) 10.052 2.134 ( 5.834 -1.207 8.002) 9.976 2.253 ( 1.907 -1.230 -3.444) 4.124 2.516 ( -2.661 -0.985 16.965) 17.201 2.722 ( 0.451 -1.045 -3.498) 3.679 2.797 ( 6.300 2.358 1.279) 6.848 2.823 ( 0.926 2.555 -2.390) 3.619 2.854 ( 0.150 -0.473 4.592) 4.618 3.101 ( 1.544 0.685 -13.008) 13.117 3.328 ( 4.446 2.679 5.280) 7.404 3.407 ( 7.393 2.649 -1.850) 8.068 3.457 ( 6.192 -1.624 0.371) 6.412 3.514 ( 2.489 -0.792 -4.563) 5.258 3.745 ( -0.083 -2.664 1.483) 3.050 3.770 ( -0.495 -4.853 -0.962) 4.973 4.006 ( 17.714 -0.053 1.372) 17.767 4.047 ( 14.714 0.185 -2.870) 14.993 6.672 ( 6.080 -0.045 8.007) 10.054 6.802 ( 0.053 -0.003 -4.749) 4.749 7.271 ( 17.411 0.011 0.396) 17.416 7.295 ( 8.757 0.069 -1.650) 8.912 7.523 ( 1.744 -0.389 1.457) 2.306 7.529 ( 1.949 -0.185 0.512) 2.024 7.789 ( -0.842 0.606 4.262) 4.386 7.852 ( 1.307 0.745 -1.486) 2.115 8.274 ( -3.527 -0.711 3.188) 4.807 8.353 ( -1.443 -0.884 -4.043) 4.382 8.653 ( 2.035 0.061 4.628) 5.056 8.755 ( 4.793 0.139 -4.549) 6.610 9.086 ( 7.014 2.107 6.224) 9.612 9.194 ( 5.800 0.527 -3.614) 6.854 9.303 ( -0.965 0.114 0.903) 1.326 9.323 ( -1.253 -0.148 -0.763) 1.475 9.648 ( -4.930 -0.133 9.991) 11.142 9.893 ( -1.617 -0.019 -11.786) 11.897======================= Grid point 429 (126/171) =======================q-point: ( 0.29 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( -4.480 2.296 4.838) 6.982 2.041 ( -7.551 1.890 -4.066) 8.782 2.207 ( 1.536 -1.033 3.442) 3.908 2.266 ( -1.495 -2.154 -2.197) 3.421 2.548 ( 5.527 -0.045 20.879) 21.599 2.724 ( 1.291 0.054 -1.653) 2.098 2.832 ( 0.432 3.134 5.931) 6.722 2.885 ( 4.626 2.999 0.795) 5.570 2.943 ( 7.446 1.676 -3.306) 8.318 3.127 ( 1.697 1.097 -9.394) 9.609 3.352 ( 0.295 1.719 2.677) 3.195 3.457 ( -0.050 0.437 -9.269) 9.280 3.541 ( 4.118 -0.730 2.598) 4.924 3.604 ( 3.611 -1.149 -3.251) 4.993 3.779 ( 1.556 -3.697 0.802) 4.090 3.798 ( -0.120 -4.768 -1.135) 4.902 4.298 ( 11.922 1.072 1.455) 12.059 4.332 ( 13.635 -0.754 -1.721) 13.764 6.731 ( 0.982 0.179 1.853) 2.105 6.733 ( -5.000 0.270 0.915) 5.090 7.305 ( -4.075 -0.040 -0.414) 4.096 7.318 ( -3.925 -0.022 -1.720) 4.285 7.704 ( 12.149 0.140 7.933) 14.511 7.735 ( 3.681 0.310 3.740) 5.257 7.877 ( 14.847 0.159 -1.291) 14.904 7.887 ( 3.554 0.529 -2.220) 4.224 8.219 ( -2.471 -0.737 5.332) 5.923 8.323 ( -1.701 -0.676 -4.384) 4.751 8.664 ( -0.804 -0.044 5.814) 5.870 8.794 ( -0.498 0.239 -6.285) 6.310 9.203 ( 5.246 1.981 4.751) 7.350 9.270 ( 1.253 2.187 -1.161) 2.775 9.312 ( 0.756 -0.136 0.371) 0.853 9.334 ( 4.013 -0.929 -1.952) 4.558 9.582 ( -1.723 -0.288 12.769) 12.887 9.894 ( 1.458 -0.001 -14.573) 14.646======================= Grid point 430 (127/171) =======================q-point: ( 0.36 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( -8.958 0.735 3.679) 9.712 1.848 ( -9.407 -0.206 -2.661) 9.778 2.225 ( 0.406 -0.034 1.702) 1.751 2.251 ( -0.569 -1.035 -0.736) 1.391 2.650 ( 3.877 0.803 19.829) 20.220 2.738 ( 0.047 2.776 1.036) 2.963 2.818 ( -0.021 2.198 7.121) 7.453 2.955 ( 3.395 1.620 1.265) 3.969 3.084 ( 7.246 0.430 -3.769) 8.179 3.146 ( 0.379 0.343 -1.961) 2.027 3.320 ( -2.963 1.279 -0.857) 3.339 3.447 ( -0.408 0.000 -15.383) 15.388 3.640 ( 5.768 0.142 1.407) 5.939 3.671 ( 2.572 -2.396 -1.320) 3.755 3.793 ( -1.951 -3.562 0.188) 4.065 3.822 ( 0.758 -1.847 -2.006) 2.830 4.467 ( 6.054 1.032 3.565) 7.101 4.540 ( 7.141 -0.649 -3.193) 7.850 6.632 ( -4.412 0.435 4.928) 6.628 6.735 ( -0.327 0.359 -4.101) 4.130 7.230 ( -3.016 -0.150 0.235) 3.029 7.253 ( -2.348 -0.014 -2.072) 3.131 7.755 ( 0.454 0.201 6.306) 6.325 7.862 ( 3.427 0.468 -1.350) 3.713 7.974 ( 6.165 0.238 11.409) 12.970 8.151 ( 9.280 0.149 -5.311) 10.693 8.189 ( -0.901 -0.529 6.728) 6.808 8.312 ( 0.962 -0.349 -3.885) 4.017 8.634 ( -1.982 -0.158 5.034) 5.413 8.760 ( -2.169 0.137 -6.959) 7.291 9.239 ( -0.185 1.311 1.211) 1.794 9.250 ( -1.311 1.105 -0.198) 1.726 9.361 ( 3.146 -0.121 2.440) 3.983 9.417 ( 3.312 -0.167 -2.634) 4.235 9.580 ( 0.733 -0.231 14.802) 14.822 9.932 ( 1.922 -0.016 -16.023) 16.138======================= Grid point 431 (128/171) =======================q-point: ( 0.43 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( -0.304 0.027 4.356) 4.367 1.751 ( 0.366 -0.008 -2.795) 2.819 2.228 ( 0.009 0.024 1.836) 1.837 2.255 ( 0.452 -0.281 -0.715) 0.891 2.677 ( -0.450 0.822 16.701) 16.727 2.707 ( -1.318 1.811 1.964) 2.979 2.805 ( -1.292 -0.471 9.122) 9.225 2.973 ( -2.020 -1.389 1.302) 2.776 3.144 ( 0.077 0.057 2.741) 2.743 3.210 ( 4.407 -0.995 -2.105) 4.984 3.225 ( -5.543 0.389 -3.873) 6.773 3.445 ( 0.049 0.081 -19.117) 19.117 3.695 ( -1.932 -1.582 1.515) 2.920 3.726 ( 1.060 0.299 -1.326) 1.724 3.798 ( 3.680 0.539 1.106) 3.880 3.846 ( 2.056 0.814 -2.842) 3.601 4.520 ( -0.251 0.565 4.593) 4.635 4.611 ( -0.065 -0.557 -4.023) 4.062 6.580 ( -0.390 -0.035 6.492) 6.504 6.726 ( -0.315 0.003 -6.669) 6.677 7.201 ( 0.135 -0.011 0.736) 0.748 7.231 ( 0.001 0.008 -2.191) 2.191 7.758 ( -0.099 0.018 6.552) 6.553 7.885 ( -0.336 -0.014 -5.419) 5.430 8.041 ( -0.204 0.005 17.073) 17.074 8.185 ( 0.381 0.023 7.312) 7.322 8.222 ( -0.058 -0.011 -4.976) 4.976 8.347 ( 0.060 -0.031 -4.682) 4.683 8.611 ( 0.219 0.027 4.436) 4.441 8.734 ( -0.078 0.002 -7.191) 7.192 9.221 ( -0.816 -0.042 0.518) 0.967 9.226 ( -0.714 -0.009 -0.132) 0.726 9.396 ( 0.028 -0.003 2.540) 2.540 9.451 ( 0.049 -0.001 -2.604) 2.605 9.592 ( 0.182 0.043 15.266) 15.268 9.953 ( 0.028 0.014 -16.339) 16.339======================= Grid point 432 (129/171) =======================q-point: (-0.50 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( 7.476 -0.847 5.112) 9.096 1.853 ( 8.684 0.259 -3.362) 9.316 2.230 ( 0.390 0.336 2.591) 2.641 2.272 ( 1.757 0.872 -1.391) 2.405 2.632 ( -3.843 -0.608 17.206) 17.640 2.687 ( -0.621 -1.481 2.671) 3.117 2.770 ( -2.629 -2.460 5.873) 6.889 2.900 ( -6.217 -3.620 0.747) 7.233 3.073 ( -8.408 -0.654 -2.404) 8.769 3.143 ( -0.908 0.062 -1.736) 1.960 3.294 ( 2.668 -1.120 -0.333) 2.913 3.447 ( 0.306 0.024 -15.949) 15.952 3.636 ( -3.700 0.060 2.432) 4.428 3.695 ( -3.342 -0.016 -2.996) 4.488 3.875 ( 3.367 4.036 0.340) 5.267 3.889 ( 3.565 3.900 -1.216) 5.422 4.453 ( -6.426 -0.189 4.487) 7.840 4.543 ( -7.175 -0.381 -3.980) 8.214 6.620 ( 4.107 -0.611 5.044) 6.533 6.726 ( 0.154 -0.455 -4.258) 4.285 7.233 ( 3.060 0.188 0.059) 3.066 7.254 ( 2.371 -0.001 -1.936) 3.061 7.750 ( -0.726 -0.204 6.064) 6.110 7.851 ( -3.777 -0.564 -1.144) 3.986 7.968 ( -6.411 -0.303 11.869) 13.493 8.147 ( -9.356 -0.179 -5.323) 10.765 8.202 ( 1.509 0.689 6.212) 6.430 8.320 ( -0.390 0.372 -3.864) 3.902 8.638 ( 2.015 0.283 4.769) 5.185 8.756 ( 1.878 -0.237 -6.342) 6.618 9.207 ( -1.469 -1.562 1.269) 2.492 9.224 ( -0.045 -1.339 -0.447) 1.413 9.363 ( -2.972 0.075 2.526) 3.901 9.420 ( -3.017 0.125 -2.683) 4.040 9.585 ( -0.486 0.308 14.489) 14.500 9.932 ( -1.918 0.040 -15.894) 16.009======================= Grid point 433 (130/171) =======================q-point: (-0.43 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( 1.651 -3.266 5.779) 6.840 1.996 ( 3.457 -2.184 -4.627) 6.175 2.237 ( 0.255 1.835 4.619) 4.976 2.320 ( 3.062 2.732 -2.820) 4.979 2.548 ( -3.684 -0.058 20.395) 20.725 2.699 ( 0.469 -3.320 1.116) 3.534 2.748 ( -1.539 -4.247 0.084) 4.518 2.795 ( -5.565 -4.045 -1.064) 6.962 2.921 ( -6.719 -0.719 0.994) 6.830 3.112 ( -2.054 -0.266 -8.716) 8.958 3.321 ( -0.638 -1.125 3.320) 3.563 3.452 ( -0.499 -0.112 -10.264) 10.277 3.560 ( -3.749 1.017 1.702) 4.241 3.608 ( -5.628 -0.390 -2.645) 6.230 3.880 ( 0.255 5.487 1.841) 5.793 3.921 ( 1.749 6.209 -2.392) 6.879 4.277 ( -11.809 -0.807 3.055) 12.225 4.340 ( -13.650 -0.001 -2.931) 13.961 6.724 ( 5.314 -0.492 1.013) 5.432 6.726 ( -0.497 -0.321 1.589) 1.695 7.306 ( 3.855 0.084 -0.390) 3.876 7.319 ( 3.858 0.001 -1.637) 4.191 7.700 ( -11.148 -0.139 7.674) 13.534 7.727 ( -3.645 -0.466 3.637) 5.170 7.867 ( -5.539 -0.843 -1.333) 5.759 7.877 ( -13.933 -0.258 -1.819) 14.054 8.240 ( 2.928 1.239 5.148) 6.050 8.342 ( 2.437 1.043 -4.331) 5.078 8.666 ( 0.594 0.148 5.593) 5.626 8.786 ( 0.290 -0.587 -5.277) 5.318 9.150 ( -6.079 -2.835 4.679) 8.179 9.222 ( -1.647 -2.304 -1.694) 3.300 9.312 ( -1.483 -0.104 0.970) 1.775 9.348 ( -3.516 0.420 -2.315) 4.231 9.589 ( 1.624 0.351 12.421) 12.531 9.894 ( -1.498 -0.002 -14.404) 14.482======================= Grid point 434 (131/171) =======================q-point: (-0.36 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( -9.172 -4.443 7.219) 12.489 1.984 ( -6.401 -4.589 -6.877) 10.456 2.178 ( -5.643 2.930 8.433) 10.561 2.283 ( -4.551 1.399 0.733) 4.817 2.547 ( 1.838 1.535 13.513) 13.724 2.699 ( -4.434 -5.267 -0.601) 6.911 2.716 ( -2.887 -5.288 -0.914) 6.094 2.785 ( 3.203 1.372 -4.283) 5.522 2.865 ( 1.065 0.443 5.373) 5.495 3.088 ( -0.387 -0.507 -12.238) 12.254 3.267 ( -6.577 -2.242 5.016) 8.571 3.363 ( -10.268 -1.736 -4.255) 11.249 3.476 ( -5.196 0.485 1.850) 5.537 3.530 ( -0.742 0.692 -3.554) 3.696 3.843 ( -0.848 5.778 2.408) 6.317 3.898 ( -0.326 6.607 -2.844) 7.201 4.007 ( -16.682 0.020 1.244) 16.728 4.041 ( -15.269 -0.282 -2.347) 15.451 6.674 ( -5.978 0.055 7.878) 9.890 6.801 ( 0.034 -0.029 -4.759) 4.759 7.271 ( -16.837 0.006 0.360) 16.841 7.292 ( -8.558 -0.173 -1.469) 8.685 7.535 ( -2.160 0.482 0.908) 2.392 7.537 ( -1.009 0.780 0.911) 1.567 7.770 ( 0.074 -1.169 3.836) 4.011 7.826 ( -1.749 -1.702 -1.354) 2.791 8.300 ( 3.819 1.660 3.603) 5.507 8.384 ( 2.164 1.960 -4.120) 5.050 8.651 ( -2.173 -0.153 4.639) 5.125 8.749 ( -4.551 -0.492 -3.887) 6.005 9.018 ( -8.303 -3.995 8.517) 12.548 9.172 ( -4.195 -1.505 -5.028) 6.719 9.302 ( 0.185 -0.025 0.632) 0.659 9.323 ( 1.517 -0.154 -1.273) 1.987 9.652 ( 4.835 0.215 9.903) 11.023 9.893 ( 1.726 0.007 -11.675) 11.801======================= Grid point 435 (132/171) =======================q-point: (-0.29 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( -15.938 -1.740 9.684) 18.730 1.808 ( -12.851 -2.666 -9.714) 16.328 2.004 ( -10.348 2.864 13.016) 16.873 2.181 ( -6.441 0.289 -3.510) 7.341 2.532 ( -3.616 -2.943 11.518) 12.426 2.614 ( -5.497 -2.000 0.078) 5.850 2.693 ( -1.973 0.572 2.735) 3.421 2.855 ( 3.127 -1.586 -3.672) 5.077 2.908 ( 2.787 1.057 4.250) 5.191 3.027 ( -13.285 -1.343 -1.315) 13.417 3.052 ( -15.975 -1.270 -4.027) 16.524 3.158 ( -4.720 -2.787 -8.548) 10.154 3.389 ( -3.378 0.594 6.968) 7.766 3.500 ( -3.974 0.808 -3.252) 5.198 3.675 ( -14.543 0.800 2.778) 14.827 3.739 ( -9.585 -1.148 -1.597) 9.785 3.856 ( 0.549 4.216 -1.370) 4.466 3.876 ( 0.565 5.571 -3.780) 6.756 6.419 ( -22.040 -0.337 3.822) 22.372 6.468 ( -35.741 -0.368 -1.030) 35.758 7.043 ( -1.031 0.557 1.093) 1.602 7.107 ( -6.951 0.133 -4.994) 8.560 7.568 ( 2.541 1.088 1.902) 3.356 7.598 ( 4.168 0.672 -1.023) 4.344 7.792 ( 0.947 -2.285 2.882) 3.798 7.829 ( 1.533 -1.589 -0.535) 2.271 8.355 ( 1.746 1.319 1.041) 2.423 8.388 ( -0.822 2.045 -1.586) 2.715 8.593 ( -3.418 -0.027 1.702) 3.818 8.634 ( -6.331 0.147 -1.951) 6.627 8.903 ( -5.180 -4.534 10.682) 12.708 9.096 ( -3.606 -0.011 -7.139) 7.997 9.337 ( 2.981 -0.334 1.759) 3.477 9.375 ( 3.596 0.454 -1.760) 4.029 9.765 ( 6.637 0.232 8.593) 10.860 9.959 ( 4.824 0.285 -9.036) 10.247======================= Grid point 436 (133/171) =======================q-point: (-0.21 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.262 ( -17.146 2.616 12.669) 21.479 1.547 ( -13.801 0.519 -13.753) 19.490 1.740 ( -15.932 3.304 14.946) 22.094 1.971 ( -15.876 1.118 -7.378) 17.543 2.424 ( -9.331 -2.537 15.293) 18.093 2.507 ( -7.960 0.554 -1.199) 8.068 2.583 ( -20.648 -0.626 7.114) 21.848 2.618 ( -7.568 -0.547 8.838) 11.649 2.800 ( -7.158 -1.663 -3.257) 8.038 2.956 ( 3.174 -3.898 -5.026) 7.109 2.974 ( 3.323 0.692 -0.163) 3.399 3.142 ( -0.417 0.694 -15.512) 15.533 3.322 ( -5.941 -1.350 3.526) 7.039 3.346 ( -8.798 -2.768 1.822) 9.402 3.462 ( -5.631 1.304 8.159) 9.998 3.660 ( 0.239 -1.576 -7.058) 7.236 3.884 ( 3.911 5.830 -2.316) 7.392 3.894 ( 3.098 2.332 -1.949) 4.340 5.639 ( -46.880 -0.450 7.147) 47.423 5.829 ( -38.566 -1.277 -11.340) 40.219 7.031 ( -1.312 -0.296 -0.136) 1.352 7.059 ( 0.725 0.264 -2.440) 2.559 7.596 ( 1.159 1.749 3.333) 3.938 7.656 ( 2.307 0.976 -2.334) 3.423 7.832 ( 1.767 -3.226 3.836) 5.314 7.888 ( 3.249 -1.335 -1.271) 3.736 8.319 ( -3.745 0.552 0.914) 3.894 8.343 ( -3.987 0.367 -1.295) 4.208 8.520 ( -3.816 -1.151 2.247) 4.575 8.564 ( -0.445 1.366 -1.998) 2.461 8.867 ( -0.846 -3.006 9.454) 9.956 9.044 ( -1.263 1.384 -7.220) 7.459 9.404 ( 3.407 0.023 2.496) 4.223 9.451 ( 4.376 0.522 -1.928) 4.810 9.899 ( 7.133 0.234 7.928) 10.667 10.063 ( 5.792 0.690 -7.197) 9.264======================= Grid point 437 (134/171) =======================q-point: (-0.14 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.940 ( -12.332 7.122 15.900) 21.344 1.297 ( -10.758 2.907 -15.769) 19.309 1.337 ( -21.424 3.978 12.814) 25.279 1.591 ( -19.402 1.480 -9.452) 21.633 2.209 ( -10.940 0.156 30.902) 32.782 2.251 ( -9.890 0.566 5.606) 11.382 2.316 ( -8.178 1.368 -3.772) 9.110 2.597 ( -0.479 -5.759 3.839) 6.938 2.743 ( -0.256 2.439 -1.001) 2.648 3.012 ( 0.780 -1.200 1.708) 2.229 3.036 ( 1.487 -2.892 -7.304) 7.995 3.104 ( -3.348 -0.572 -14.186) 14.587 3.161 ( -6.902 -0.609 3.499) 7.762 3.258 ( -2.600 -2.213 -4.826) 5.912 3.515 ( 10.645 -1.769 13.648) 17.399 3.730 ( 5.473 -3.776 -6.268) 9.138 3.934 ( 4.519 6.208 -2.133) 7.969 3.955 ( 3.830 1.805 -2.303) 4.820 4.751 ( -41.747 0.186 7.638) 42.440 4.971 ( -48.543 -0.813 -15.207) 50.876 7.031 ( 0.760 -0.400 0.879) 1.229 7.061 ( -0.477 -0.307 -1.873) 1.957 7.600 ( 0.342 2.089 4.394) 4.877 7.684 ( 1.200 1.318 -3.508) 3.935 7.886 ( 1.708 -3.530 4.576) 6.027 7.952 ( 2.336 -1.544 -1.113) 3.013 8.245 ( -3.114 0.227 0.359) 3.143 8.253 ( -4.045 0.139 -0.348) 4.062 8.477 ( -1.774 -2.994 3.417) 4.877 8.559 ( 0.149 1.190 -4.392) 4.553 8.889 ( 1.344 -2.162 7.324) 7.754 9.029 ( 0.338 2.178 -6.241) 6.619 9.459 ( 2.253 0.491 3.658) 4.324 9.536 ( 4.031 -0.518 -3.410) 5.305 10.028 ( 5.749 -0.203 6.876) 8.965 10.160 ( 4.206 0.948 -5.700) 7.147======================= Grid point 438 (135/171) =======================q-point: (-0.07 0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.768 ( 0.000 8.225 18.617) 20.353 1.035 ( 0.000 2.927 19.183) 19.405 1.181 ( 0.000 3.394 -20.197) 20.480 1.363 ( 0.000 1.112 -12.126) 12.177 2.115 ( 0.000 0.751 38.775) 38.782 2.135 ( 0.000 0.540 3.940) 3.977 2.226 ( 0.000 0.930 -4.598) 4.691 2.625 ( -0.000 -6.368 -1.915) 6.650 2.732 ( 0.000 3.929 1.146) 4.093 2.996 ( -0.000 -0.411 2.222) 2.260 3.043 ( -0.000 -0.910 -2.176) 2.358 3.081 ( -0.000 -2.699 -12.929) 13.208 3.112 ( 0.000 0.385 -0.109) 0.400 3.251 ( -0.000 -1.765 -6.745) 6.972 3.785 ( -0.000 -7.573 4.859) 8.998 3.866 ( -0.000 -7.167 -1.490) 7.320 4.022 ( 0.000 7.627 -1.713) 7.817 4.053 ( 0.000 7.164 -3.110) 7.810 4.190 ( 0.000 0.507 1.534) 1.616 4.207 ( 0.000 0.227 -0.122) 0.258 7.044 ( -0.000 -0.285 0.127) 0.312 7.055 ( -0.000 -0.364 -0.935) 1.004 7.592 ( 0.000 1.713 5.000) 5.285 7.689 ( 0.000 1.132 -4.144) 4.296 7.921 ( -0.000 -2.676 4.615) 5.335 7.985 ( -0.000 -1.409 -0.678) 1.564 8.210 ( 0.000 0.162 0.056) 0.171 8.211 ( 0.000 0.185 -0.100) 0.210 8.476 ( -0.000 -2.916 2.283) 3.704 8.555 ( 0.000 0.724 -4.859) 4.912 8.918 ( -0.000 -2.189 5.094) 5.544 9.023 ( 0.000 2.162 -5.097) 5.537 9.480 ( 0.000 0.448 4.628) 4.650 9.586 ( -0.000 -0.983 -5.508) 5.595 10.095 ( -0.000 -0.735 5.249) 5.300 10.199 ( 0.000 0.946 -4.787) 4.879======================= Grid point 441 (136/171) =======================q-point: ( 0.14 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( 10.290 -0.000 7.906) 12.976 2.082 ( 7.653 -0.000 -6.359) 9.950 2.128 ( 5.805 -0.000 7.899) 9.803 2.246 ( 1.078 -0.000 -4.084) 4.224 2.511 ( -2.655 0.000 17.369) 17.571 2.716 ( 0.374 -0.000 -3.600) 3.619 2.809 ( 6.877 -0.000 2.396) 7.283 2.837 ( 0.649 -0.000 -2.514) 2.596 2.851 ( 0.613 -0.000 3.841) 3.890 3.105 ( 1.826 -0.000 -13.340) 13.464 3.343 ( 3.745 -0.000 5.730) 6.845 3.431 ( 6.567 -0.000 2.547) 7.043 3.439 ( 6.893 -0.000 -3.619) 7.785 3.510 ( 2.997 -0.000 -5.315) 6.102 3.736 ( -1.832 0.000 0.534) 1.908 3.739 ( 0.914 -0.000 0.272) 0.954 4.005 ( 17.800 -0.000 1.398) 17.855 4.048 ( 14.629 -0.000 -2.954) 14.925 6.672 ( 6.097 -0.000 8.025) 10.078 6.802 ( 0.065 -0.000 -4.749) 4.749 7.271 ( 17.499 -0.000 0.398) 17.503 7.295 ( 8.792 -0.000 -1.674) 8.949 7.521 ( 1.781 -0.000 1.519) 2.340 7.528 ( 1.993 -0.000 0.470) 2.048 7.793 ( -0.977 0.000 4.317) 4.426 7.856 ( 1.251 -0.000 -1.484) 1.941 8.271 ( -3.486 0.000 3.111) 4.672 8.349 ( -1.336 0.000 -4.035) 4.250 8.653 ( 2.017 -0.000 4.624) 5.045 8.756 ( 4.819 -0.000 -4.613) 6.671 9.097 ( 6.747 -0.000 5.784) 8.887 9.197 ( 6.190 -0.000 -3.303) 7.016 9.304 ( -1.276 0.000 0.863) 1.540 9.322 ( -1.084 0.000 -0.626) 1.252 9.647 ( -4.949 0.000 10.006) 11.163 9.893 ( -1.599 0.000 -11.805) 11.912======================= Grid point 442 (137/171) =======================q-point: ( 0.21 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.961 ( -5.372 0.854 4.669) 7.169 2.055 ( -9.097 0.764 -4.021) 9.975 2.200 ( 2.108 -0.366 3.054) 3.728 2.250 ( -0.578 -0.851 -1.784) 2.059 2.548 ( 5.905 -0.036 20.817) 21.639 2.723 ( 2.114 -0.046 -1.759) 2.750 2.853 ( 0.571 1.002 7.655) 7.741 2.904 ( 4.355 0.876 0.438) 4.464 2.959 ( 7.161 0.963 -4.346) 8.431 3.136 ( 1.570 0.592 -9.785) 9.928 3.366 ( 0.170 0.860 2.418) 2.572 3.461 ( -0.601 0.249 -8.740) 8.764 3.537 ( 4.366 -0.101 2.410) 4.988 3.590 ( 2.199 -1.143 -2.693) 3.660 3.754 ( 2.819 -1.171 0.142) 3.056 3.764 ( 0.574 -1.811 -0.631) 2.002 4.308 ( 11.829 0.769 0.488) 11.864 4.324 ( 13.766 -0.672 -0.906) 13.812 6.732 ( 1.221 0.061 1.932) 2.286 6.735 ( -5.039 0.094 0.883) 5.117 7.305 ( -4.128 -0.014 -0.426) 4.150 7.318 ( -3.944 -0.009 -1.737) 4.310 7.705 ( 12.422 0.055 7.990) 14.769 7.737 ( 3.661 0.113 3.767) 5.254 7.878 ( 15.552 0.043 -1.218) 15.600 7.891 ( 2.578 0.203 -2.374) 3.510 8.214 ( -2.361 -0.260 5.363) 5.866 8.319 ( -1.519 -0.244 -4.379) 4.642 8.664 ( -0.849 -0.013 5.846) 5.907 8.796 ( -0.530 0.077 -6.472) 6.494 9.217 ( 5.068 0.732 4.814) 7.028 9.289 ( 0.344 1.388 -1.249) 1.899 9.309 ( 0.871 -0.412 0.323) 1.016 9.326 ( 4.600 -0.592 -1.852) 4.994 9.580 ( -1.738 -0.110 12.880) 12.997 9.894 ( 1.453 -0.001 -14.619) 14.691======================= Grid point 443 (138/171) =======================q-point: ( 0.29 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( -9.444 0.419 3.189) 9.976 1.847 ( -9.658 -0.117 -2.424) 9.958 2.226 ( 0.742 0.184 1.184) 1.410 2.242 ( -0.397 -0.768 -0.273) 0.907 2.656 ( 4.161 0.433 20.881) 21.296 2.761 ( 0.959 1.670 0.414) 1.970 2.838 ( -1.308 1.553 7.257) 7.535 2.966 ( 2.010 0.561 1.625) 2.644 3.088 ( 6.425 0.244 -4.135) 7.645 3.150 ( -0.132 0.394 -2.232) 2.271 3.331 ( -3.494 0.873 -0.986) 3.734 3.447 ( -0.410 -0.025 -15.269) 15.275 3.638 ( 5.084 -0.638 0.552) 5.154 3.648 ( 4.273 -1.524 -0.274) 4.545 3.764 ( -1.086 -1.972 1.112) 2.511 3.810 ( 2.017 -0.546 -2.962) 3.625 4.478 ( 5.979 0.878 2.603) 6.580 4.532 ( 7.125 -0.688 -2.425) 7.558 6.635 ( -4.513 0.232 4.912) 6.674 6.738 ( -0.377 0.198 -4.052) 4.075 7.228 ( -3.010 -0.085 0.286) 3.025 7.253 ( -2.331 -0.010 -2.121) 3.152 7.756 ( 0.358 0.119 6.377) 6.388 7.866 ( 3.300 0.263 -1.401) 3.595 7.975 ( 6.086 0.131 11.258) 12.798 8.152 ( 9.283 0.087 -5.345) 10.713 8.185 ( -0.730 -0.292 6.911) 6.955 8.309 ( 1.146 -0.203 -3.867) 4.038 8.632 ( -1.979 -0.078 5.095) 5.466 8.761 ( -2.239 0.069 -7.124) 7.468 9.249 ( -0.824 0.748 1.165) 1.611 9.259 ( -1.823 0.619 -0.112) 1.928 9.360 ( 3.266 -0.085 2.406) 4.058 9.415 ( 3.472 -0.108 -2.619) 4.351 9.578 ( 0.846 -0.125 14.912) 14.937 9.932 ( 1.928 -0.006 -16.062) 16.178======================= Grid point 444 (139/171) =======================q-point: ( 0.36 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( -0.548 0.035 4.267) 4.303 1.751 ( 0.661 -0.011 -2.831) 2.908 2.229 ( -0.055 0.057 1.637) 1.639 2.251 ( 0.836 -0.369 -0.538) 1.060 2.688 ( -0.520 1.108 19.200) 19.239 2.731 ( -2.256 2.849 1.637) 3.986 2.798 ( -2.591 -0.887 6.733) 7.269 2.954 ( -3.817 -2.123 1.322) 4.563 3.144 ( 0.169 0.079 2.713) 2.719 3.199 ( 3.526 -0.967 -1.415) 3.921 3.227 ( -5.552 0.180 -4.072) 6.888 3.446 ( 0.073 0.105 -19.518) 19.519 3.684 ( -0.931 -0.359 1.859) 2.110 3.719 ( 0.060 -1.483 -1.256) 1.944 3.809 ( 6.471 1.260 1.196) 6.701 3.854 ( 3.194 0.694 -2.851) 4.337 4.527 ( -0.418 0.848 3.713) 3.831 4.604 ( -0.136 -0.836 -3.404) 3.508 6.580 ( -0.703 -0.044 6.528) 6.566 6.726 ( -0.568 0.003 -6.677) 6.701 7.201 ( 0.244 -0.014 0.742) 0.782 7.231 ( 0.003 0.010 -2.210) 2.210 7.758 ( -0.179 0.022 6.540) 6.543 7.884 ( -0.607 -0.017 -5.378) 5.412 8.041 ( -0.368 0.006 17.094) 17.098 8.186 ( 0.688 0.030 7.226) 7.259 8.222 ( -0.104 -0.014 -4.948) 4.949 8.347 ( 0.108 -0.039 -4.674) 4.676 8.611 ( 0.397 0.034 4.423) 4.441 8.734 ( -0.142 0.002 -7.174) 7.176 9.220 ( -1.470 -0.052 0.538) 1.566 9.226 ( -1.284 -0.012 -0.144) 1.292 9.396 ( 0.050 -0.004 2.542) 2.542 9.451 ( 0.088 -0.002 -2.603) 2.605 9.592 ( 0.326 0.053 15.240) 15.243 9.953 ( 0.050 0.017 -16.330) 16.330======================= Grid point 445 (140/171) =======================q-point: (-0.57 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( 6.781 -0.648 5.749) 8.914 1.856 ( 8.366 0.212 -3.692) 9.147 2.233 ( 0.820 0.276 2.831) 2.960 2.279 ( 2.480 0.520 -1.502) 2.945 2.630 ( -4.448 0.175 17.330) 17.892 2.680 ( -1.930 0.063 3.196) 3.734 2.745 ( -3.504 -2.464 4.058) 5.900 2.861 ( -6.646 -3.835 0.670) 7.702 3.066 ( -8.673 -0.664 -1.734) 8.869 3.144 ( -0.879 0.103 -1.744) 1.956 3.284 ( 2.753 -0.804 -0.038) 2.868 3.448 ( 0.264 0.046 -16.349) 16.351 3.639 ( -2.946 0.482 2.285) 3.759 3.692 ( -3.282 -0.515 -2.642) 4.245 3.912 ( 3.758 3.179 0.542) 4.952 3.925 ( 5.011 2.930 -0.979) 5.887 4.454 ( -6.650 0.424 3.906) 7.724 4.537 ( -7.191 -0.867 -3.727) 8.145 6.615 ( 3.965 -0.517 5.136) 6.509 6.722 ( 0.062 -0.368 -4.336) 4.353 7.235 ( 3.103 0.157 -0.040) 3.107 7.254 ( 2.358 -0.011 -1.876) 3.013 7.748 ( -0.846 -0.148 5.936) 5.998 7.846 ( -3.924 -0.447 -1.024) 4.080 7.965 ( -6.529 -0.244 12.087) 13.740 8.145 ( -9.406 -0.143 -5.345) 10.819 8.209 ( 1.814 0.569 5.946) 6.242 8.323 ( -0.116 0.272 -3.810) 3.822 8.641 ( 2.053 0.271 4.590) 5.035 8.753 ( 1.685 -0.226 -5.974) 6.211 9.193 ( -2.142 -1.231 1.247) 2.767 9.211 ( -0.625 -1.069 -0.564) 1.361 9.364 ( -2.945 0.042 2.560) 3.902 9.421 ( -2.942 0.077 -2.703) 3.996 9.588 ( -0.415 0.253 14.352) 14.360 9.933 ( -1.922 0.039 -15.828) 15.944======================= Grid point 446 (141/171) =======================q-point: (-0.50 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 0.371 -2.802 6.418) 7.013 1.976 ( 1.808 -1.725 -5.038) 5.624 2.256 ( 1.258 1.851 5.089) 5.559 2.345 ( 3.089 2.135 -2.251) 4.378 2.548 ( -2.179 0.158 19.215) 19.338 2.659 ( -1.523 -4.071 2.354) 4.943 2.702 ( -3.315 -4.744 -0.790) 5.841 2.767 ( -2.627 -1.688 -2.650) 4.095 2.914 ( -6.412 -0.635 2.078) 6.770 3.111 ( -2.208 0.001 -8.714) 8.989 3.312 ( -0.577 -0.747 3.605) 3.726 3.451 ( -0.599 -0.017 -10.661) 10.678 3.570 ( -3.744 0.982 1.077) 4.018 3.603 ( -5.790 -0.425 -1.949) 6.124 3.934 ( 0.771 4.891 2.084) 5.372 3.977 ( 2.103 4.723 -2.315) 5.664 4.271 ( -11.958 -0.284 3.059) 12.347 4.338 ( -13.514 -0.527 -3.137) 13.883 6.719 ( 5.759 -0.477 1.048) 5.873 6.723 ( -0.501 -0.302 1.477) 1.588 7.307 ( 3.712 0.095 -0.400) 3.735 7.319 ( 3.842 -0.025 -1.574) 4.152 7.699 ( -10.669 -0.081 7.515) 13.050 7.722 ( -3.531 -0.408 3.577) 5.043 7.858 ( -4.476 -0.816 -1.036) 4.666 7.875 ( -15.576 -0.178 -1.896) 15.692 8.252 ( 3.190 1.151 5.008) 6.048 8.352 ( 2.856 0.921 -4.248) 5.201 8.668 ( 0.461 0.203 5.372) 5.395 8.779 ( 0.092 -0.681 -4.479) 4.531 9.122 ( -6.502 -2.406 4.548) 8.292 9.201 ( -1.690 -1.942 -2.062) 3.299 9.310 ( -1.767 -0.135 1.208) 2.144 9.352 ( -3.491 0.220 -2.458) 4.275 9.593 ( 1.548 0.274 12.281) 12.381 9.894 ( -1.531 -0.004 -14.320) 14.402======================= Grid point 447 (142/171) =======================q-point: (-0.43 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.785 ( -8.689 -4.070 7.005) 11.880 1.939 ( -6.600 -4.102 -7.114) 10.535 2.210 ( -5.259 3.450 8.569) 10.629 2.296 ( -5.085 1.061 3.553) 6.293 2.554 ( -1.086 -0.508 9.348) 9.424 2.640 ( -3.722 -5.856 -0.589) 6.964 2.667 ( -0.410 -3.583 1.270) 3.824 2.802 ( 4.030 1.761 -4.663) 6.410 2.868 ( 1.733 0.083 5.008) 5.300 3.083 ( -0.186 -0.441 -12.315) 12.324 3.251 ( -7.057 -1.013 5.270) 8.866 3.347 ( -11.547 -1.417 -3.983) 12.296 3.480 ( -5.039 0.454 1.786) 5.365 3.537 ( -0.134 0.598 -3.803) 3.852 3.899 ( -1.911 5.038 2.555) 5.964 3.960 ( -1.462 5.461 -3.312) 6.553 4.006 ( -15.035 -0.092 1.281) 15.090 4.040 ( -15.251 0.070 -2.134) 15.400 6.674 ( -5.923 0.024 7.792) 9.788 6.801 ( 0.091 -0.052 -4.775) 4.776 7.271 ( -16.492 0.036 0.308) 16.495 7.290 ( -8.442 -0.191 -1.329) 8.548 7.540 ( -1.938 0.448 0.960) 2.209 7.546 ( -0.936 0.781 0.746) 1.429 7.758 ( -0.279 -1.033 3.492) 3.652 7.808 ( -2.093 -1.741 -1.130) 2.948 8.317 ( 4.004 1.696 3.800) 5.775 8.405 ( 2.674 2.002 -4.233) 5.392 8.649 ( -2.294 -0.164 4.622) 5.163 8.743 ( -4.321 -0.692 -3.109) 5.368 8.979 ( -8.999 -3.695 9.517) 13.609 9.157 ( -3.576 -1.514 -5.700) 6.897 9.302 ( 0.244 0.004 0.289) 0.378 9.321 ( 1.335 -0.331 -1.413) 1.972 9.654 ( 4.793 0.168 9.857) 10.962 9.893 ( 1.780 -0.014 -11.613) 11.748======================= Grid point 448 (143/171) =======================q-point: (-0.36 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( -13.770 -1.599 8.762) 16.399 1.778 ( -11.429 -3.111 -9.707) 15.315 2.038 ( -10.086 3.614 12.821) 16.709 2.186 ( -6.330 0.878 -0.977) 6.465 2.494 ( -5.646 -4.561 8.729) 11.352 2.585 ( -4.139 -3.714 -0.761) 5.613 2.692 ( 0.616 -0.294 4.497) 4.549 2.851 ( 1.000 0.729 -3.814) 4.010 2.920 ( 1.821 1.366 3.786) 4.417 3.011 ( -16.228 -1.606 2.150) 16.448 3.042 ( -14.596 -0.815 -6.184) 15.873 3.133 ( -1.167 -2.189 -9.330) 9.654 3.394 ( -3.848 0.439 7.514) 8.453 3.512 ( -4.729 1.372 -3.163) 5.852 3.683 ( -14.454 0.692 1.679) 14.568 3.724 ( -10.980 -1.789 -1.442) 11.218 3.901 ( 0.548 4.526 -0.511) 4.587 3.932 ( 0.314 5.313 -4.171) 6.762 6.415 ( -22.615 -0.454 3.675) 22.916 6.463 ( -35.887 -0.466 -1.164) 35.908 7.050 ( -1.105 0.633 1.063) 1.659 7.108 ( -6.954 0.060 -4.582) 8.328 7.579 ( 2.831 1.023 1.668) 3.441 7.606 ( 4.332 0.756 -0.881) 4.485 7.770 ( 0.300 -2.058 3.040) 3.683 7.810 ( 1.666 -1.925 -0.855) 2.686 8.369 ( 1.176 1.443 1.652) 2.489 8.409 ( -1.318 2.131 -1.577) 2.961 8.594 ( -3.039 0.261 2.007) 3.651 8.636 ( -5.872 0.230 -1.958) 6.194 8.856 ( -4.897 -4.685 13.091) 14.741 9.094 ( -2.930 -0.346 -8.635) 9.125 9.336 ( 3.056 -0.030 1.742) 3.517 9.378 ( 3.847 0.052 -2.151) 4.408 9.767 ( 6.703 0.249 8.625) 10.926 9.962 ( 5.039 0.258 -9.035) 10.348======================= Grid point 449 (144/171) =======================q-point: (-0.29 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( -14.085 3.539 11.074) 18.263 1.552 ( -11.995 0.313 -12.910) 17.625 1.779 ( -15.258 4.186 14.191) 21.253 1.985 ( -15.195 1.652 -5.930) 16.394 2.387 ( -8.139 -4.682 16.003) 18.554 2.509 ( -6.383 -0.351 -1.779) 6.636 2.581 ( -21.406 0.062 4.284) 21.830 2.610 ( -10.225 -0.916 5.856) 11.819 2.782 ( -4.067 -1.932 0.809) 4.575 2.919 ( 2.008 -3.054 -4.251) 5.606 2.986 ( 2.511 1.499 -1.422) 3.252 3.149 ( 0.179 0.586 -14.340) 14.354 3.307 ( -6.095 -1.691 4.530) 7.780 3.322 ( -10.967 -1.817 1.516) 11.219 3.471 ( -6.064 0.357 7.511) 9.660 3.646 ( -0.024 -1.218 -5.844) 5.970 3.917 ( 2.572 2.385 -0.664) 3.569 3.946 ( 3.807 5.937 -4.665) 8.457 5.634 ( -46.824 -0.609 6.689) 47.303 5.813 ( -39.178 -1.791 -10.876) 40.699 7.027 ( -1.532 -0.373 0.525) 1.662 7.062 ( 0.371 0.270 -2.496) 2.538 7.614 ( 1.539 1.723 3.140) 3.898 7.668 ( 2.626 1.205 -1.924) 3.471 7.798 ( 1.227 -3.258 4.641) 5.802 7.871 ( 3.016 -1.907 -2.179) 4.181 8.325 ( -4.049 0.592 1.148) 4.250 8.346 ( -4.571 0.245 -0.954) 4.676 8.509 ( -4.907 -0.832 4.900) 6.985 8.580 ( 0.013 1.807 -2.376) 2.985 8.836 ( 0.123 -2.959 10.929) 11.323 9.057 ( -0.638 1.109 -9.067) 9.157 9.404 ( 3.674 0.134 2.487) 4.438 9.456 ( 4.142 0.425 -2.310) 4.762 9.902 ( 7.122 0.361 8.036) 10.744 10.070 ( 6.012 0.720 -7.361) 9.531======================= Grid point 450 (145/171) =======================q-point: (-0.21 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( -9.073 9.609 13.081) 18.595 1.332 ( -9.819 3.766 -13.005) 16.725 1.386 ( -20.144 5.468 10.297) 23.275 1.610 ( -19.225 2.129 -8.410) 21.092 2.206 ( -9.822 -0.802 29.462) 31.066 2.258 ( -9.567 0.749 5.376) 11.000 2.333 ( -8.128 1.980 -3.942) 9.248 2.538 ( -1.404 -5.358 1.754) 5.810 2.763 ( 0.586 1.497 3.726) 4.058 2.983 ( 1.898 -4.289 -3.907) 6.105 3.017 ( 0.124 -0.825 -2.687) 2.814 3.097 ( -4.929 -0.739 -10.539) 11.658 3.154 ( -5.950 -0.849 0.947) 6.085 3.232 ( -2.078 -2.767 -5.975) 6.904 3.492 ( 7.761 -2.650 13.706) 15.973 3.695 ( 4.030 -3.060 -5.418) 7.414 3.972 ( 4.196 2.014 -0.847) 4.731 4.001 ( 5.034 6.226 -4.437) 9.153 4.753 ( -40.945 0.299 7.176) 41.570 4.961 ( -47.417 -1.291 -14.231) 49.523 7.026 ( 0.733 -0.613 1.118) 1.471 7.057 ( -0.762 -0.423 -1.851) 2.046 7.623 ( 0.520 2.306 4.459) 5.047 7.700 ( 1.474 1.752 -2.922) 3.712 7.843 ( 1.202 -4.538 5.778) 7.445 7.932 ( 1.979 -2.314 -2.159) 3.733 8.248 ( -3.120 0.313 0.327) 3.152 8.254 ( -3.947 0.140 -0.308) 3.962 8.445 ( -2.594 -3.075 7.691) 8.680 8.572 ( -0.170 1.418 -5.115) 5.310 8.868 ( 1.472 -1.828 9.079) 9.377 9.051 ( 0.607 2.154 -8.140) 8.442 9.464 ( 2.384 0.460 3.140) 3.969 9.530 ( 3.352 -0.457 -2.961) 4.496 10.027 ( 5.426 0.046 7.239) 9.046 10.171 ( 4.336 1.039 -6.152) 7.598======================= Grid point 451 (146/171) =======================q-point: (-0.14 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( 0.000 12.927 14.481) 19.411 1.076 ( 0.000 5.038 17.503) 18.214 1.228 ( 0.000 5.675 -18.079) 18.949 1.379 ( 0.000 1.961 -11.274) 11.443 2.124 ( 0.000 0.835 37.185) 37.194 2.143 ( 0.000 1.050 4.270) 4.398 2.240 ( 0.000 1.763 -4.769) 5.085 2.558 ( -0.000 -6.470 -1.005) 6.547 2.765 ( 0.000 2.624 3.143) 4.095 2.989 ( -0.000 -0.797 1.833) 1.999 3.029 ( -0.000 -1.729 -1.871) 2.548 3.046 ( -0.000 -4.069 -11.827) 12.508 3.113 ( -0.000 -0.148 -1.092) 1.103 3.229 ( -0.000 -2.254 -8.411) 8.708 3.698 ( -0.000 -9.116 7.213) 11.625 3.799 ( -0.000 -6.153 -2.228) 6.544 4.099 ( 0.000 7.254 -1.960) 7.514 4.129 ( 0.000 7.423 -4.190) 8.524 4.197 ( 0.000 0.927 1.333) 1.624 4.211 ( 0.000 0.424 0.056) 0.428 7.040 ( -0.000 -0.516 0.071) 0.521 7.050 ( -0.000 -0.657 -0.886) 1.103 7.615 ( 0.000 2.533 5.090) 5.686 7.705 ( 0.000 1.881 -3.587) 4.050 7.882 ( -0.000 -4.839 5.690) 7.469 7.965 ( -0.000 -2.380 -1.438) 2.781 8.212 ( 0.000 0.293 0.073) 0.302 8.214 ( 0.000 0.328 -0.111) 0.347 8.440 ( -0.000 -4.028 6.375) 7.542 8.564 ( 0.000 0.892 -5.657) 5.727 8.895 ( -0.000 -2.085 7.602) 7.883 9.047 ( 0.000 2.451 -7.109) 7.520 9.485 ( 0.000 0.608 3.884) 3.931 9.574 ( -0.000 -1.392 -4.369) 4.585 10.088 ( -0.000 -0.604 6.184) 6.213 10.211 ( 0.000 1.161 -5.484) 5.606======================= Grid point 456 (147/171) =======================q-point: ( 0.21 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( -9.616 0.000 3.011) 10.077 1.846 ( -9.749 0.000 -2.338) 10.025 2.228 ( 1.074 -0.000 0.875) 1.385 2.237 ( -0.563 0.000 0.019) 0.564 2.658 ( 4.286 -0.000 21.256) 21.683 2.770 ( 1.455 -0.000 0.220) 1.472 2.846 ( -1.791 0.000 7.253) 7.471 2.969 ( 1.460 -0.000 1.753) 2.282 3.089 ( 6.030 -0.000 -4.221) 7.361 3.152 ( -0.399 0.000 -2.369) 2.402 3.336 ( -3.813 0.000 -1.016) 3.946 3.447 ( -0.386 0.000 -15.238) 15.243 3.632 ( 3.432 -0.000 0.445) 3.461 3.642 ( 6.483 -0.000 -0.252) 6.488 3.754 ( -0.682 0.000 1.609) 1.747 3.808 ( 2.372 -0.000 -3.295) 4.060 4.483 ( 5.943 -0.000 2.103) 6.304 4.528 ( 7.134 -0.000 -2.007) 7.411 6.636 ( -4.550 0.000 4.909) 6.693 6.739 ( -0.394 0.000 -4.035) 4.054 7.228 ( -3.009 0.000 0.303) 3.024 7.253 ( -2.324 0.000 -2.140) 3.159 7.757 ( 0.323 -0.000 6.402) 6.410 7.867 ( 3.253 -0.000 -1.418) 3.549 7.976 ( 6.057 -0.000 11.204) 12.736 8.152 ( 9.293 -0.000 -5.370) 10.733 8.183 ( -0.677 0.000 6.985) 7.018 8.308 ( 1.211 -0.000 -3.857) 4.043 8.632 ( -1.978 0.000 5.114) 5.484 8.761 ( -2.262 0.000 -7.180) 7.528 9.253 ( -1.070 0.000 1.145) 1.567 9.263 ( -2.017 0.000 -0.079) 2.019 9.359 ( 3.322 -0.000 2.393) 4.094 9.415 ( 3.541 -0.000 -2.615) 4.402 9.577 ( 0.891 -0.000 14.953) 14.980 9.932 ( 1.930 -0.000 -16.076) 16.191======================= Grid point 457 (148/171) =======================q-point: ( 0.29 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( -0.684 0.016 4.196) 4.251 1.751 ( 0.826 -0.006 -2.860) 2.977 2.229 ( -0.172 0.040 1.458) 1.469 2.248 ( 1.099 -0.177 -0.374) 1.174 2.697 ( -0.288 0.534 21.843) 21.852 2.759 ( -2.271 2.172 0.976) 3.291 2.787 ( -3.902 -1.112 4.536) 6.086 2.935 ( -5.027 -1.180 1.363) 5.340 3.145 ( 0.251 0.041 2.682) 2.694 3.192 ( 2.931 -0.412 -0.866) 3.083 3.229 ( -5.431 0.050 -4.183) 6.855 3.446 ( 0.072 0.048 -19.843) 19.843 3.687 ( -0.488 0.894 1.287) 1.642 3.702 ( 0.465 -1.664 -0.011) 1.728 3.819 ( 7.342 0.588 0.871) 7.416 3.859 ( 3.667 0.240 -2.822) 4.633 4.535 ( -0.481 0.469 2.869) 2.946 4.597 ( -0.194 -0.463 -2.771) 2.816 6.579 ( -0.877 -0.019 6.557) 6.616 6.726 ( -0.708 0.002 -6.683) 6.720 7.201 ( 0.305 -0.006 0.747) 0.807 7.231 ( 0.005 0.005 -2.225) 2.225 7.758 ( -0.224 0.010 6.531) 6.534 7.884 ( -0.757 -0.008 -5.345) 5.399 8.041 ( -0.458 0.003 17.111) 17.117 8.186 ( 0.858 0.013 7.157) 7.209 8.222 ( -0.130 -0.006 -4.925) 4.926 8.346 ( 0.134 -0.017 -4.668) 4.670 8.612 ( 0.496 0.015 4.412) 4.440 8.734 ( -0.178 0.001 -7.161) 7.163 9.220 ( -1.832 -0.023 0.555) 1.914 9.226 ( -1.599 -0.005 -0.153) 1.606 9.396 ( 0.063 -0.002 2.544) 2.544 9.451 ( 0.109 -0.001 -2.602) 2.604 9.593 ( 0.403 0.024 15.219) 15.224 9.953 ( 0.062 0.008 -16.323) 16.323======================= Grid point 458 (149/171) =======================q-point: (-0.64 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 6.306 -0.347 6.169) 8.829 1.858 ( 8.156 0.120 -3.920) 9.050 2.235 ( 1.132 0.140 2.930) 3.144 2.283 ( 3.008 0.201 -1.512) 3.373 2.635 ( -5.225 0.733 19.782) 20.473 2.687 ( -3.266 1.012 2.951) 4.516 2.721 ( -3.907 -2.019 1.207) 4.561 2.826 ( -6.425 -2.886 0.437) 7.057 3.061 ( -8.763 -0.429 -1.212) 8.857 3.145 ( -0.802 0.070 -1.771) 1.945 3.278 ( 2.816 -0.414 0.175) 2.852 3.448 ( 0.237 0.034 -16.660) 16.661 3.645 ( -2.627 0.549 1.863) 3.267 3.686 ( -2.990 -0.507 -2.053) 3.662 3.938 ( 4.219 1.799 0.544) 4.618 3.947 ( 5.597 1.428 -0.458) 5.795 4.461 ( -6.764 0.659 2.874) 7.379 4.527 ( -7.238 -0.882 -3.152) 7.944 6.610 ( 3.867 -0.298 5.214) 6.498 6.719 ( -0.005 -0.205 -4.393) 4.398 7.236 ( 3.147 0.091 -0.115) 3.150 7.253 ( 2.334 -0.011 -1.834) 2.968 7.747 ( -0.927 -0.077 5.843) 5.916 7.842 ( -4.019 -0.247 -0.934) 4.133 7.963 ( -6.611 -0.136 12.239) 13.911 8.144 ( -9.441 -0.080 -5.361) 10.857 8.213 ( 2.028 0.323 5.746) 6.102 8.325 ( 0.075 0.140 -3.753) 3.757 8.644 ( 2.096 0.170 4.439) 4.912 8.751 ( 1.522 -0.143 -5.682) 5.885 9.183 ( -2.573 -0.674 1.208) 2.921 9.203 ( -1.015 -0.594 -0.643) 1.341 9.364 ( -2.937 0.018 2.582) 3.911 9.421 ( -2.906 0.035 -2.715) 3.977 9.590 ( -0.381 0.142 14.261) 14.267 9.933 ( -1.928 0.024 -15.781) 15.899======================= Grid point 459 (150/171) =======================q-point: (-0.57 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.828 ( -0.578 -1.874 6.975) 7.245 1.962 ( 0.639 -1.086 -5.389) 5.535 2.274 ( 2.275 1.448 5.358) 5.998 2.362 ( 2.694 1.197 -0.945) 3.096 2.551 ( -0.480 0.456 17.505) 17.517 2.623 ( -3.827 -2.770 2.430) 5.313 2.657 ( -4.508 -3.737 -0.646) 5.892 2.755 ( -0.265 -0.928 -3.621) 3.748 2.908 ( -6.261 -0.475 2.723) 6.844 3.111 ( -2.326 0.073 -8.829) 9.130 3.306 ( -0.443 -0.433 3.846) 3.896 3.451 ( -0.693 0.007 -10.922) 10.944 3.579 ( -3.864 0.787 0.529) 3.979 3.600 ( -5.691 -0.299 -1.373) 5.861 3.978 ( 1.240 3.724 2.086) 4.445 4.014 ( 2.162 2.394 -1.398) 3.516 4.272 ( -12.133 0.422 2.176) 12.334 4.330 ( -13.344 -0.924 -3.001) 13.709 6.715 ( 5.993 -0.347 1.101) 6.103 6.720 ( -0.382 -0.218 1.369) 1.438 7.308 ( 3.568 0.083 -0.426) 3.595 7.318 ( 3.856 -0.038 -1.511) 4.142 7.699 ( -10.345 -0.029 7.387) 12.712 7.719 ( -3.369 -0.279 3.519) 4.880 7.851 ( -4.430 -0.571 -0.755) 4.530 7.874 ( -16.085 -0.118 -1.990) 16.208 8.263 ( 3.405 0.818 4.876) 6.003 8.360 ( 3.203 0.626 -4.148) 5.278 8.670 ( 0.351 0.200 5.110) 5.126 8.773 ( -0.133 -0.587 -3.661) 3.710 9.102 ( -6.798 -1.583 4.338) 8.218 9.184 ( -1.707 -1.305 -2.367) 3.197 9.309 ( -1.969 -0.109 1.369) 2.401 9.353 ( -3.502 0.097 -2.551) 4.333 9.595 ( 1.477 0.169 12.188) 12.279 9.894 ( -1.563 -0.004 -14.258) 14.343======================= Grid point 460 (151/171) =======================q-point: (-0.50 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -8.249 -3.056 6.840) 11.143 1.903 ( -6.949 -3.048 -7.320) 10.544 2.246 ( -4.852 3.591 8.843) 10.707 2.305 ( -4.853 0.730 6.024) 7.770 2.530 ( -5.338 -3.965 4.225) 7.878 2.585 ( -3.792 -4.863 -1.449) 6.334 2.652 ( 3.498 0.432 5.269) 6.339 2.817 ( 4.680 1.076 -4.926) 6.879 2.867 ( 2.373 -0.181 4.639) 5.214 3.079 ( -0.387 -0.419 -12.462) 12.475 3.245 ( -6.996 -0.200 5.397) 8.838 3.334 ( -12.472 -1.045 -3.200) 12.918 3.485 ( -5.097 0.454 1.457) 5.320 3.543 ( 0.348 0.471 -4.161) 4.202 3.943 ( -4.687 3.413 2.594) 6.352 4.000 ( -14.319 0.737 -0.582) 14.350 4.011 ( -1.673 2.511 -1.465) 3.354 4.044 ( -13.423 0.862 -2.132) 13.619 6.674 ( -5.884 -0.003 7.713) 9.701 6.800 ( 0.143 -0.057 -4.797) 4.800 7.272 ( -16.225 0.060 0.234) 16.226 7.289 ( -8.315 -0.173 -1.181) 8.400 7.544 ( -1.754 0.368 1.041) 2.072 7.553 ( -0.914 0.582 0.552) 1.216 7.749 ( -0.459 -0.703 3.107) 3.219 7.791 ( -2.464 -1.452 -0.815) 2.974 8.333 ( 4.158 1.388 3.942) 5.895 8.424 ( 3.207 1.673 -4.429) 5.719 8.648 ( -2.452 -0.137 4.577) 5.194 8.735 ( -4.071 -0.782 -1.971) 4.590 8.945 ( -9.616 -2.747 10.025) 14.161 9.143 ( -3.117 -1.193 -6.252) 7.087 9.302 ( 0.605 0.047 -0.069) 0.610 9.317 ( 0.908 -0.399 -1.442) 1.750 9.656 ( 4.767 0.104 9.821) 10.918 9.893 ( 1.819 -0.025 -11.564) 11.706======================= Grid point 461 (152/171) =======================q-point: (-0.43 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.562 ( -11.590 -1.150 7.574) 13.893 1.747 ( -10.247 -2.926 -9.435) 14.233 2.076 ( -9.892 3.796 12.999) 16.770 2.199 ( -6.044 1.721 1.113) 6.382 2.441 ( -6.445 -5.664 6.691) 10.881 2.541 ( -3.225 -4.746 -2.064) 6.098 2.692 ( 1.436 0.433 6.425) 6.598 2.864 ( 0.096 1.453 -4.349) 4.587 2.934 ( 0.551 1.143 3.315) 3.549 2.997 ( -17.844 -1.263 2.470) 18.058 3.035 ( -14.176 -0.562 -4.996) 15.041 3.113 ( 1.371 -1.598 -10.280) 10.494 3.399 ( -3.914 0.445 8.188) 9.087 3.528 ( -4.645 1.872 -3.431) 6.071 3.689 ( -14.341 0.532 0.338) 14.354 3.704 ( -12.148 -2.205 -0.835) 12.375 3.944 ( -0.549 3.804 -0.054) 3.844 3.981 ( 0.509 4.275 -4.209) 6.021 6.410 ( -23.206 -0.487 3.527) 23.477 6.458 ( -36.100 -0.473 -1.311) 36.127 7.056 ( -1.132 0.613 0.983) 1.620 7.108 ( -7.018 -0.030 -4.107) 8.132 7.588 ( 2.947 0.738 1.549) 3.410 7.613 ( 4.488 0.596 -0.795) 4.597 7.752 ( -0.150 -1.395 2.917) 3.237 7.791 ( 1.791 -1.839 -0.909) 2.723 8.383 ( 0.565 1.235 2.221) 2.603 8.430 ( -2.144 1.804 -1.653) 3.254 8.599 ( -2.148 0.704 2.046) 3.049 8.638 ( -5.353 0.272 -1.935) 5.698 8.810 ( -4.620 -4.228 15.547) 16.761 9.090 ( -2.321 -0.435 -9.673) 9.957 9.337 ( 3.149 0.235 1.285) 3.409 9.376 ( 4.061 -0.323 -2.307) 4.681 9.770 ( 6.794 0.217 8.640) 10.993 9.964 ( 5.227 0.183 -9.015) 10.422======================= Grid point 462 (153/171) =======================q-point: (-0.36 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -10.819 3.838 8.880) 14.513 1.553 ( -10.085 -0.130 -11.712) 15.456 1.823 ( -14.749 4.405 13.465) 20.451 2.005 ( -14.573 2.292 -4.404) 15.395 2.332 ( -7.959 -6.069 15.857) 18.752 2.498 ( -4.035 -1.888 -2.522) 5.120 2.581 ( -20.610 -0.056 3.241) 20.863 2.603 ( -13.620 -0.314 2.062) 13.779 2.763 ( -1.038 -1.771 3.955) 4.455 2.897 ( 0.645 -1.381 -2.790) 3.179 3.004 ( 1.826 2.049 -2.373) 3.628 3.152 ( 1.093 -0.152 -13.185) 13.231 3.291 ( -8.115 -1.156 5.523) 9.884 3.311 ( -12.018 -0.314 0.919) 12.057 3.469 ( -6.516 -0.780 7.293) 9.811 3.635 ( -0.040 -0.968 -5.517) 5.601 3.940 ( 1.728 2.028 0.528) 2.716 4.002 ( 3.806 5.067 -6.148) 8.829 5.627 ( -46.749 -0.662 6.126) 47.153 5.793 ( -39.883 -2.012 -10.257) 41.230 7.023 ( -1.819 -0.348 1.233) 2.225 7.064 ( 0.064 0.225 -2.507) 2.518 7.628 ( 1.539 0.856 3.486) 3.905 7.680 ( 2.909 1.109 -1.678) 3.537 7.769 ( 0.902 -2.245 4.830) 5.402 7.851 ( 2.815 -1.968 -2.843) 4.458 8.330 ( -4.349 0.462 1.437) 4.604 8.347 ( -5.120 0.052 -0.480) 5.143 8.504 ( -5.824 -0.227 7.464) 9.470 8.599 ( 0.317 2.006 -2.766) 3.432 8.808 ( 1.355 -2.470 12.029) 12.354 9.066 ( -0.016 0.769 -10.356) 10.385 9.407 ( 3.798 0.325 2.110) 4.357 9.459 ( 4.084 0.114 -2.611) 4.849 9.906 ( 7.169 0.420 8.106) 10.830 10.077 ( 6.191 0.583 -7.447) 9.702======================= Grid point 463 (154/171) =======================q-point: (-0.29 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( -5.905 10.105 9.771) 15.246 1.370 ( -8.493 3.595 -10.511) 13.984 1.444 ( -18.966 5.620 8.373) 21.480 1.633 ( -19.111 2.455 -7.233) 20.581 2.188 ( -7.863 -2.877 28.543) 29.745 2.267 ( -9.538 0.968 4.419) 10.556 2.354 ( -7.877 2.086 -4.347) 9.236 2.493 ( -1.759 -3.582 0.163) 3.994 2.774 ( 1.074 0.770 6.984) 7.108 2.939 ( 1.970 -4.039 -2.888) 5.342 3.012 ( -1.200 -0.341 -2.724) 2.996 3.090 ( -6.740 -0.648 -6.680) 9.511 3.144 ( -5.208 -1.045 -0.778) 5.368 3.204 ( -0.788 -2.537 -8.696) 9.093 3.462 ( 4.665 -3.215 14.062) 15.161 3.667 ( 2.700 -2.413 -5.591) 6.661 3.991 ( 4.726 1.741 0.845) 5.107 4.061 ( 4.884 5.406 -6.229) 9.585 4.757 ( -39.871 0.372 6.550) 40.408 4.946 ( -45.978 -1.596 -12.904) 47.781 7.019 ( 0.700 -0.698 1.457) 1.761 7.052 ( -1.109 -0.440 -1.848) 2.200 7.640 ( 0.223 0.625 5.743) 5.781 7.718 ( 1.700 1.670 -2.438) 3.409 7.801 ( 0.802 -3.278 6.163) 7.027 7.907 ( 1.617 -2.600 -3.268) 4.479 8.251 ( -3.102 0.317 0.307) 3.134 8.256 ( -3.760 0.077 -0.141) 3.763 8.418 ( -3.368 -2.159 11.872) 12.528 8.587 ( -0.598 1.486 -5.608) 5.832 8.853 ( 1.873 -1.036 10.163) 10.386 9.071 ( 0.870 1.803 -9.477) 9.686 9.468 ( 2.439 0.312 2.580) 3.564 9.527 ( 2.767 -0.249 -2.747) 3.907 10.029 ( 5.236 0.338 7.451) 9.113 10.180 ( 4.378 0.844 -6.425) 7.820======================= Grid point 464 (155/171) =======================q-point: (-0.21 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.018 ( 0.000 13.984 10.051) 17.222 1.133 ( 0.000 5.896 15.325) 16.420 1.291 ( 0.000 6.315 -15.247) 16.503 1.401 ( 0.000 2.372 -10.100) 10.375 2.127 ( -0.000 -0.402 34.784) 34.786 2.156 ( 0.000 1.457 4.760) 4.978 2.261 ( 0.000 2.391 -5.032) 5.571 2.499 ( -0.000 -4.857 -0.613) 4.895 2.785 ( 0.000 1.410 5.907) 6.073 2.979 ( -0.000 -1.147 1.269) 1.710 3.001 ( -0.000 -4.516 -9.323) 10.359 3.008 ( -0.000 -2.299 -1.415) 2.700 3.111 ( -0.000 -0.290 -2.003) 2.024 3.209 ( -0.000 -1.700 -11.162) 11.291 3.605 ( -0.000 -9.002 9.914) 13.391 3.741 ( -0.000 -5.244 -3.481) 6.294 4.167 ( 0.000 6.098 -2.302) 6.518 4.199 ( 0.000 6.300 -4.863) 7.958 4.208 ( 0.000 1.178 1.047) 1.576 4.216 ( 0.000 0.557 0.312) 0.638 7.034 ( -0.000 -0.648 -0.009) 0.648 7.042 ( -0.000 -0.823 -0.815) 1.158 7.637 ( 0.000 1.285 6.272) 6.402 7.725 ( 0.000 2.000 -2.959) 3.571 7.830 ( -0.000 -4.698 6.763) 8.234 7.938 ( -0.000 -2.954 -2.733) 4.025 8.215 ( 0.000 0.367 0.094) 0.379 8.218 ( 0.000 0.404 -0.125) 0.423 8.400 ( -0.000 -3.490 11.191) 11.723 8.573 ( 0.000 0.970 -6.248) 6.323 8.878 ( -0.000 -1.154 9.263) 9.335 9.071 ( 0.000 2.215 -8.644) 8.924 9.491 ( 0.000 0.411 3.053) 3.081 9.560 ( -0.000 -1.106 -3.330) 3.508 10.084 ( -0.000 -0.083 6.822) 6.823 10.222 ( 0.000 0.960 -5.951) 6.027======================= Grid point 471 (156/171) =======================q-point: (-0.71 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( 6.138 -0.000 6.314) 8.806 1.858 ( 8.083 -0.000 -4.002) 9.019 2.236 ( 1.244 -0.000 2.951) 3.202 2.284 ( 3.197 -0.000 -1.502) 3.532 2.640 ( -5.633 0.000 22.402) 23.099 2.695 ( -4.146 0.000 1.761) 4.505 2.709 ( -3.718 0.000 -0.275) 3.728 2.810 ( -6.149 0.000 0.169) 6.151 3.058 ( -8.775 0.000 -1.008) 8.832 3.146 ( -0.767 0.000 -1.784) 1.942 3.276 ( 2.835 -0.000 0.251) 2.846 3.448 ( 0.228 -0.000 -16.774) 16.775 3.648 ( -2.590 0.000 1.604) 3.047 3.683 ( -2.806 0.000 -1.742) 3.303 3.947 ( 4.499 -0.000 0.470) 4.523 3.954 ( 5.656 -0.000 -0.133) 5.657 4.465 ( -6.773 0.000 2.288) 7.149 4.522 ( -7.281 0.000 -2.785) 7.795 6.609 ( 3.832 -0.000 5.244) 6.496 6.718 ( -0.030 0.000 -4.413) 4.413 7.237 ( 3.167 -0.000 -0.144) 3.170 7.253 ( 2.321 -0.000 -1.818) 2.949 7.747 ( -0.956 0.000 5.809) 5.887 7.841 ( -4.051 0.000 -0.900) 4.150 7.962 ( -6.641 0.000 12.293) 13.972 8.144 ( -9.454 0.000 -5.366) 10.871 8.215 ( 2.105 -0.000 5.671) 6.049 8.326 ( 0.144 -0.000 -3.729) 3.732 8.644 ( 2.116 -0.000 4.379) 4.864 8.751 ( 1.457 -0.000 -5.570) 5.758 9.179 ( -2.720 0.000 1.188) 2.968 9.200 ( -1.153 0.000 -0.671) 1.334 9.364 ( -2.937 0.000 2.590) 3.916 9.422 ( -2.895 0.000 -2.719) 3.972 9.591 ( -0.371 0.000 14.229) 14.234 9.933 ( -1.930 0.000 -15.764) 15.882======================= Grid point 473 (157/171) =======================q-point: (-0.64 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( -1.084 -0.657 7.299) 7.408 1.954 ( 0.033 -0.369 -5.589) 5.602 2.284 ( 3.012 0.562 5.443) 6.246 2.370 ( 2.296 0.348 0.225) 2.333 2.556 ( 0.767 0.306 16.375) 16.396 2.604 ( -5.521 -0.913 2.452) 6.109 2.630 ( -4.861 -1.473 -0.830) 5.147 2.748 ( 0.806 -0.365 -4.042) 4.138 2.905 ( -6.207 -0.178 3.035) 6.911 3.112 ( -2.392 0.036 -8.928) 9.243 3.303 ( -0.345 -0.143 3.990) 4.008 3.451 ( -0.758 0.004 -11.035) 11.061 3.585 ( -4.009 0.334 0.181) 4.027 3.597 ( -5.535 -0.131 -1.043) 5.634 4.007 ( 1.781 1.836 1.766) 3.108 4.026 ( 1.813 0.218 -0.130) 1.830 4.278 ( -12.130 0.490 0.977) 12.179 4.321 ( -13.282 -0.625 -2.621) 13.553 6.713 ( 6.113 -0.127 1.136) 6.219 6.719 ( -0.307 -0.080 1.307) 1.345 7.309 ( 3.466 0.034 -0.449) 3.496 7.318 ( 3.885 -0.020 -1.469) 4.154 7.699 ( -10.201 -0.005 7.322) 12.557 7.717 ( -3.237 -0.099 3.478) 4.752 7.847 ( -4.503 -0.204 -0.591) 4.547 7.873 ( -16.267 -0.042 -2.045) 16.395 8.268 ( 3.526 0.297 4.794) 5.959 8.365 ( 3.401 0.221 -4.078) 5.315 8.672 ( 0.294 0.088 4.915) 4.925 8.768 ( -0.294 -0.239 -3.118) 3.141 9.091 ( -6.941 -0.548 4.172) 8.117 9.175 ( -1.711 -0.461 -2.538) 3.095 9.308 ( -2.076 -0.042 1.451) 2.533 9.354 ( -3.514 0.026 -2.596) 4.369 9.596 ( 1.434 0.056 12.144) 12.228 9.894 ( -1.582 -0.002 -14.225) 14.312======================= Grid point 474 (158/171) =======================q-point: (-0.57 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.724 ( -7.924 -1.628 6.730) 10.523 1.879 ( -7.254 -1.619 -7.460) 10.531 2.280 ( -5.136 2.780 10.121) 11.685 2.310 ( -3.344 0.409 6.775) 7.566 2.488 ( -6.965 -3.571 2.942) 8.362 2.545 ( -4.285 -2.763 -2.489) 5.674 2.663 ( 4.535 1.140 6.063) 7.657 2.824 ( 4.992 0.279 -4.998) 7.070 2.866 ( 2.994 -0.121 4.275) 5.220 3.075 ( -0.743 -0.272 -12.566) 12.591 3.245 ( -6.665 0.078 5.391) 8.573 3.326 ( -13.064 -0.570 -2.447) 13.303 3.489 ( -5.248 0.304 1.122) 5.376 3.546 ( 0.700 0.265 -4.441) 4.503 3.968 ( -9.174 1.662 2.287) 9.600 3.998 ( -13.867 -0.426 1.595) 13.965 4.034 ( -2.536 1.416 -3.019) 4.189 4.056 ( -8.831 1.245 -2.393) 9.234 6.674 ( -5.863 -0.010 7.658) 9.644 6.800 ( 0.178 -0.037 -4.817) 4.821 7.272 ( -16.101 0.051 0.160) 16.102 7.287 ( -8.174 -0.109 -1.059) 8.243 7.547 ( -1.607 0.210 1.079) 1.947 7.557 ( -0.963 0.298 0.431) 1.096 7.744 ( -0.455 -0.320 2.770) 2.826 7.779 ( -2.802 -0.848 -0.508) 2.972 8.345 ( 4.255 0.783 4.026) 5.909 8.437 ( 3.648 0.970 -4.657) 5.995 8.647 ( -2.611 -0.074 4.515) 5.216 8.728 ( -3.888 -0.562 -0.795) 4.008 8.924 ( -10.037 -1.429 10.083) 14.299 9.133 ( -2.822 -0.649 -6.620) 7.225 9.303 ( 1.242 0.083 -0.360) 1.296 9.313 ( 0.231 -0.310 -1.392) 1.445 9.656 ( 4.754 0.047 9.800) 10.892 9.893 ( 1.839 -0.019 -11.533) 11.679======================= Grid point 475 (159/171) =======================q-point: (-0.50 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( -9.821 -0.628 6.411) 11.745 1.720 ( -9.479 -2.099 -9.066) 13.284 2.111 ( -9.752 3.012 13.907) 17.251 2.222 ( -5.625 2.768 2.013) 6.584 2.382 ( -6.727 -5.636 6.054) 10.661 2.495 ( -2.719 -4.000 -3.316) 5.864 2.700 ( 1.256 0.833 7.261) 7.416 2.877 ( 0.332 0.940 -4.724) 4.827 2.943 ( -1.367 0.647 3.005) 3.364 2.986 ( -19.482 -0.768 2.182) 19.619 3.031 ( -12.017 -0.173 -3.374) 12.483 3.100 ( 2.095 -1.079 -11.298) 11.541 3.403 ( -3.719 0.388 8.799) 9.560 3.548 ( -3.502 1.989 -4.114) 5.757 3.681 ( -13.868 -2.174 0.135) 14.038 3.694 ( -14.191 0.337 -0.886) 14.222 3.977 ( -1.707 2.469 0.261) 3.013 4.017 ( 0.810 2.756 -4.168) 5.062 6.405 ( -23.700 -0.384 3.411) 23.947 6.454 ( -36.314 -0.357 -1.441) 36.344 7.062 ( -1.075 0.471 0.867) 1.460 7.107 ( -7.151 -0.080 -3.666) 8.037 7.594 ( 2.833 0.410 1.533) 3.247 7.617 ( 4.600 0.285 -0.692) 4.660 7.742 ( -0.389 -0.599 2.525) 2.624 7.774 ( 1.986 -1.382 -0.748) 2.533 8.394 ( 0.018 0.804 2.663) 2.782 8.445 ( -3.094 1.160 -1.771) 3.749 8.608 ( -0.745 0.999 1.400) 1.875 8.641 ( -5.000 0.213 -1.907) 5.355 8.772 ( -4.548 -3.164 18.113) 18.941 9.086 ( -1.874 -0.329 -10.268) 10.443 9.340 ( 3.255 0.409 0.577) 3.331 9.372 ( 4.195 -0.529 -2.221) 4.776 9.771 ( 6.883 0.146 8.640) 11.048 9.965 ( 5.361 0.100 -8.986) 10.464======================= Grid point 476 (160/171) =======================q-point: (-0.43 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.369 ( -7.956 3.320 6.443) 10.762 1.549 ( -8.483 -0.486 -10.393) 13.425 1.866 ( -14.553 3.845 13.010) 19.895 2.031 ( -14.245 2.907 -3.240) 14.896 2.269 ( -8.030 -6.141 15.599) 18.589 2.472 ( -1.903 -2.980 -3.734) 5.143 2.582 ( -19.725 0.258 2.533) 19.889 2.602 ( -16.063 -0.024 0.148) 16.064 2.747 ( 0.790 -1.265 6.428) 6.599 2.889 ( -0.008 -0.343 -2.337) 2.362 3.025 ( 1.527 2.057 -2.615) 3.661 3.145 ( 1.620 -1.119 -12.054) 12.214 3.285 ( -9.866 0.029 5.537) 11.314 3.315 ( -13.055 1.060 0.617) 13.112 3.456 ( -6.756 -1.788 7.590) 10.317 3.627 ( 0.028 -0.726 -5.759) 5.804 3.958 ( 1.021 1.408 1.681) 2.419 4.047 ( 3.714 3.648 -7.198) 8.884 5.621 ( -46.670 -0.569 5.569) 47.004 5.774 ( -40.535 -1.774 -9.604) 41.695 7.020 ( -2.091 -0.241 1.847) 2.801 7.066 ( -0.158 0.159 -2.474) 2.485 7.631 ( 0.877 -0.232 4.605) 4.694 7.689 ( 3.075 0.660 -1.585) 3.522 7.754 ( 1.170 -0.723 4.030) 4.259 7.833 ( 2.686 -1.559 -3.175) 4.441 8.334 ( -4.588 0.236 1.854) 4.954 8.347 ( -5.507 -0.018 -0.072) 5.507 8.504 ( -6.498 0.225 9.415) 11.442 8.619 ( 0.355 1.735 -3.203) 3.659 8.786 ( 2.715 -1.713 12.881) 13.275 9.073 ( 0.480 0.455 -11.007) 11.026 9.411 ( 3.857 0.534 1.362) 4.125 9.458 ( 4.120 -0.253 -2.728) 4.948 9.910 ( 7.251 0.371 8.126) 10.897 10.082 ( 6.305 0.378 -7.450) 9.767======================= Grid point 477 (161/171) =======================q-point: (-0.36 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.226 ( -3.331 8.945 6.295) 11.434 1.403 ( -7.043 2.654 -8.456) 11.320 1.496 ( -18.267 4.569 7.309) 20.198 1.659 ( -19.213 2.488 -6.235) 20.352 2.150 ( -5.985 -4.365 27.455) 28.437 2.278 ( -9.590 1.182 4.302) 10.577 2.374 ( -7.274 1.740 -4.693) 8.830 2.464 ( -1.230 -2.156 -2.326) 3.402 2.780 ( 1.529 0.382 8.947) 9.084 2.905 ( 1.353 -2.415 -0.372) 2.793 3.010 ( -2.932 0.004 -2.382) 3.778 3.084 ( -8.608 -0.636 -2.817) 9.080 3.133 ( -4.362 -1.200 -1.804) 4.870 3.182 ( 0.599 -1.595 -12.299) 12.417 3.428 ( 2.037 -3.291 14.659) 15.161 3.646 ( 1.529 -1.852 -6.258) 6.703 4.007 ( 5.104 1.290 2.332) 5.758 4.109 ( 4.597 4.115 -7.573) 9.768 4.760 ( -38.718 0.370 5.867) 39.162 4.929 ( -44.519 -1.589 -11.460) 45.998 7.012 ( 0.650 -0.619 1.822) 2.031 7.048 ( -1.451 -0.370 -1.862) 2.389 7.632 ( -1.003 -2.044 9.049) 9.331 7.732 ( 1.757 1.047 -2.362) 3.125 7.783 ( 1.190 -0.401 4.469) 4.642 7.882 ( 1.323 -2.213 -3.941) 4.709 8.254 ( -3.100 0.173 0.460) 3.139 8.256 ( -3.469 0.103 0.080) 3.472 8.402 ( -3.935 -1.046 14.903) 15.449 8.602 ( -1.062 1.248 -5.763) 5.991 8.847 ( 2.450 -0.181 10.650) 10.930 9.087 ( 1.109 1.295 -10.099) 10.242 9.471 ( 2.366 0.364 1.898) 3.055 9.525 ( 2.458 -0.238 -2.744) 3.692 10.033 ( 5.173 0.474 7.500) 9.123 10.188 ( 4.360 0.548 -6.481) 7.830======================= Grid point 478 (162/171) =======================q-point: (-0.29 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( 0.000 12.607 6.030) 13.975 1.192 ( 0.000 5.509 13.185) 14.290 1.352 ( 0.000 5.456 -12.249) 13.409 1.425 ( 0.000 2.293 -8.877) 9.168 2.113 ( -0.000 -2.445 32.226) 32.319 2.172 ( 0.000 1.636 5.330) 5.575 2.287 ( 0.000 2.665 -5.373) 5.997 2.463 ( -0.000 -2.281 -1.613) 2.793 2.795 ( 0.000 0.686 8.490) 8.518 2.959 ( -0.000 -3.703 -4.697) 5.981 2.966 ( -0.000 -1.594 0.752) 1.763 2.984 ( -0.000 -2.245 -0.982) 2.450 3.108 ( -0.000 -0.166 -3.714) 3.718 3.195 ( -0.000 -1.022 -13.555) 13.593 3.518 ( -0.000 -8.036 12.409) 14.784 3.693 ( -0.000 -4.260 -4.969) 6.545 4.220 ( 0.000 1.203 0.735) 1.409 4.221 ( 0.000 4.407 -2.452) 5.043 4.222 ( 0.000 0.587 0.596) 0.837 4.257 ( 0.000 4.949 -5.223) 7.195 7.027 ( -0.000 -0.653 -0.098) 0.660 7.034 ( -0.000 -0.828 -0.736) 1.107 7.632 ( -0.000 -2.449 10.358) 10.643 7.743 ( 0.000 1.426 -2.689) 3.043 7.798 ( -0.000 -1.258 5.359) 5.504 7.908 ( -0.000 -2.819 -3.792) 4.725 8.219 ( 0.000 0.366 0.116) 0.384 8.222 ( 0.000 0.400 -0.137) 0.422 8.371 ( -0.000 -2.163 15.169) 15.323 8.583 ( 0.000 0.895 -6.429) 6.491 8.872 ( -0.000 -0.088 9.977) 9.978 9.092 ( 0.000 1.769 -9.492) 9.655 9.494 ( 0.000 0.196 2.321) 2.330 9.552 ( -0.000 -0.614 -2.830) 2.896 10.086 ( 0.000 0.326 7.069) 7.077 10.230 ( 0.000 0.638 -6.093) 6.126======================= Grid point 487 (163/171) =======================q-point: (-0.64 0.36 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( -7.803 0.000 6.690) 10.278 1.870 ( -7.374 0.000 -7.509) 10.524 2.296 ( -6.954 0.000 12.783) 14.552 2.313 ( -0.662 0.000 4.894) 4.939 2.468 ( -7.675 0.000 2.886) 8.200 2.531 ( -4.517 0.000 -2.966) 5.403 2.670 ( 4.656 -0.000 5.996) 7.591 2.825 ( 5.029 -0.000 -4.918) 7.034 2.865 ( 3.303 -0.000 4.035) 5.215 3.074 ( -0.912 0.000 -12.604) 12.637 3.246 ( -6.482 0.000 5.369) 8.416 3.323 ( -13.282 0.000 -2.144) 13.454 3.491 ( -5.326 0.000 0.985) 5.416 3.548 ( 0.835 -0.000 -4.545) 4.621 3.977 ( -12.076 0.000 1.846) 12.216 3.995 ( -12.308 0.000 2.136) 12.492 4.041 ( -3.155 0.000 -2.920) 4.299 4.063 ( -6.979 0.000 -2.565) 7.436 6.674 ( -5.857 0.000 7.638) 9.625 6.800 ( 0.191 -0.000 -4.826) 4.829 7.273 ( -16.083 0.000 0.127) 16.084 7.286 ( -8.099 0.000 -1.009) 8.162 7.548 ( -1.546 0.000 1.088) 1.891 7.559 ( -1.000 0.000 0.391) 1.074 7.742 ( -0.406 0.000 2.627) 2.658 7.775 ( -2.959 0.000 -0.372) 2.982 8.349 ( 4.287 -0.000 4.053) 5.900 8.443 ( 3.827 -0.000 -4.765) 6.111 8.646 ( -2.684 0.000 4.482) 5.224 8.725 ( -3.825 0.000 -0.270) 3.834 8.917 ( -10.184 0.000 10.031) 14.294 9.130 ( -2.718 0.000 -6.749) 7.276 9.303 ( 1.749 -0.000 -0.482) 1.814 9.312 ( -0.291 0.000 -1.353) 1.384 9.657 ( 4.750 -0.000 9.793) 10.884 9.893 ( 1.846 -0.000 -11.523) 11.670======================= Grid point 489 (164/171) =======================q-point: (-0.57 0.36 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( -8.823 -0.188 5.673) 10.491 1.706 ( -9.125 -0.767 -8.807) 12.705 2.133 ( -9.590 1.149 15.077) 17.906 2.253 ( -5.180 2.738 0.913) 5.929 2.332 ( -7.039 -3.727 7.190) 10.730 2.465 ( -2.556 -1.588 -4.307) 5.254 2.707 ( 1.030 0.409 7.489) 7.570 2.882 ( 0.727 0.238 -4.744) 4.805 2.947 ( -3.270 0.219 2.749) 4.277 2.981 ( -20.163 -0.247 1.991) 20.262 3.031 ( -9.762 0.011 -2.290) 10.027 3.092 ( 1.790 -0.412 -12.103) 12.242 3.406 ( -3.518 0.158 9.167) 9.821 3.565 ( -1.526 1.032 -5.121) 5.442 3.663 ( -15.990 -1.088 1.303) 16.080 3.696 ( -14.195 0.116 -1.624) 14.288 3.994 ( -2.404 0.849 0.439) 2.587 4.036 ( 1.010 0.950 -4.134) 4.361 6.402 ( -23.984 -0.147 3.348) 24.217 6.452 ( -36.447 -0.133 -1.518) 36.479 7.065 ( -0.979 0.183 0.774) 1.262 7.107 ( -7.289 -0.044 -3.389) 8.038 7.596 ( 2.645 0.125 1.552) 3.069 7.619 ( 4.667 0.065 -0.590) 4.704 7.739 ( -0.555 -0.094 2.128) 2.201 7.764 ( 2.243 -0.553 -0.542) 2.373 8.399 ( -0.312 0.276 2.905) 2.935 8.453 ( -3.738 0.391 -1.843) 4.186 8.617 ( 0.703 0.560 0.179) 0.916 8.642 ( -5.073 0.064 -1.883) 5.412 8.749 ( -4.716 -1.257 20.360) 20.937 9.083 ( -1.643 -0.120 -10.521) 10.650 9.344 ( 3.314 0.269 -0.037) 3.326 9.367 ( 4.267 -0.323 -1.999) 4.723 9.772 ( 6.938 0.051 8.636) 11.078 9.966 ( 5.428 0.031 -8.966) 10.481======================= Grid point 490 (165/171) =======================q-point: (-0.50 0.36 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( -5.993 1.961 4.426) 7.704 1.544 ( -7.459 -0.442 -9.341) 11.962 1.898 ( -14.631 2.330 12.893) 19.640 2.062 ( -14.537 2.859 -3.275) 15.173 2.212 ( -7.643 -4.668 16.297) 18.595 2.444 ( -0.886 -2.222 -4.927) 5.477 2.586 ( -19.445 0.632 1.593) 19.520 2.600 ( -16.732 -0.321 0.152) 16.736 2.737 ( 1.595 -0.666 8.075) 8.258 2.887 ( -0.167 -0.005 -2.544) 2.549 3.043 ( 1.569 1.397 -2.271) 3.094 3.132 ( 1.501 -1.187 -11.634) 11.790 3.288 ( -10.599 0.352 5.252) 11.834 3.330 ( -14.358 1.772 -0.218) 14.469 3.435 ( -6.368 -2.007 8.718) 10.980 3.621 ( 0.071 -0.407 -6.202) 6.215 3.968 ( 0.554 0.705 2.529) 2.683 4.075 ( 3.630 1.903 -7.836) 8.843 5.616 ( -46.608 -0.331 5.157) 46.893 5.759 ( -40.991 -1.045 -9.100) 42.002 7.018 ( -2.280 -0.114 2.255) 3.209 7.068 ( -0.285 0.083 -2.429) 2.447 7.626 ( 0.064 -0.500 5.719) 5.741 7.693 ( 3.129 0.242 -1.524) 3.489 7.752 ( 1.648 0.046 2.957) 3.385 7.821 ( 2.649 -0.847 -3.240) 4.270 8.335 ( -4.768 0.056 2.319) 5.303 8.347 ( -5.676 0.007 0.089) 5.676 8.507 ( -6.932 0.269 10.604) 12.671 8.633 ( 0.164 0.980 -3.614) 3.748 8.774 ( 3.915 -0.833 13.505) 14.086 9.076 ( 0.780 0.197 -11.196) 11.224 9.417 ( 3.903 0.533 0.500) 3.971 9.454 ( 4.164 -0.399 -2.630) 4.941 9.913 ( 7.325 0.218 8.115) 10.935 10.085 ( 6.362 0.176 -7.415) 9.772======================= Grid point 491 (166/171) =======================q-point: (-0.43 0.36 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.305 ( -1.426 6.320 2.995) 7.138 1.424 ( -5.818 1.465 -6.841) 9.100 1.534 ( -18.178 2.764 7.030) 19.685 1.682 ( -19.556 2.051 -5.657) 20.461 2.107 ( -4.677 -3.809 27.156) 27.818 2.289 ( -9.585 0.990 4.463) 10.620 2.389 ( -6.481 1.189 -4.709) 8.099 2.446 ( -0.239 -1.488 -5.142) 5.358 2.782 ( 2.310 0.047 9.658) 9.931 2.890 ( 0.533 -0.798 1.506) 1.786 3.013 ( -4.983 0.584 -0.641) 5.058 3.075 ( -9.920 -1.105 0.060) 9.981 3.122 ( -3.039 -0.769 -4.027) 5.103 3.172 ( 0.830 -0.613 -13.940) 13.978 3.398 ( 0.307 -2.601 15.295) 15.518 3.630 ( 0.663 -1.217 -7.049) 7.184 4.017 ( 5.358 0.777 3.449) 6.419 4.144 ( 4.321 2.574 -8.501) 9.878 4.764 ( -37.735 0.276 5.275) 38.103 4.915 ( -43.352 -1.188 -10.217) 44.555 7.007 ( 0.589 -0.411 2.121) 2.239 7.045 ( -1.723 -0.240 -1.879) 2.561 7.607 ( -2.248 -2.404 11.849) 12.298 7.739 ( 1.640 0.328 -2.598) 3.090 7.786 ( 1.697 0.721 2.707) 3.275 7.864 ( 1.209 -1.338 -3.998) 4.386 8.255 ( -3.092 0.002 0.925) 3.227 8.258 ( -3.197 0.166 0.065) 3.202 8.395 ( -4.286 -0.327 16.641) 17.187 8.612 ( -1.440 0.762 -5.621) 5.852 8.848 ( 3.012 0.336 10.719) 11.139 9.098 ( 1.276 0.720 -10.126) 10.232 9.476 ( 2.257 0.518 1.047) 2.541 9.521 ( 2.361 -0.378 -2.736) 3.633 10.038 ( 5.179 0.400 7.450) 9.082 10.192 ( 4.318 0.276 -6.409) 7.733======================= Grid point 492 (167/171) =======================q-point: (-0.36 0.36 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.242 ( 0.000 4.159 11.464) 12.195 1.269 ( 0.000 9.642 2.530) 9.969 1.398 ( 0.000 3.674 -9.504) 10.189 1.446 ( 0.000 1.784 -7.844) 8.044 2.082 ( -0.000 -3.274 30.616) 30.790 2.188 ( 0.000 1.452 5.875) 6.052 2.314 ( 0.000 2.402 -5.765) 6.245 2.449 ( -0.000 -0.803 -4.305) 4.379 2.803 ( 0.000 1.072 10.414) 10.469 2.927 ( -0.000 -2.680 0.452) 2.717 2.947 ( -0.000 -2.065 0.780) 2.208 2.966 ( -0.000 -1.364 -1.026) 1.707 3.107 ( -0.000 -0.032 -5.423) 5.423 3.187 ( -0.000 -0.599 -14.825) 14.837 3.445 ( -0.000 -6.149 14.397) 15.655 3.655 ( -0.000 -3.041 -6.441) 7.122 4.227 ( 0.000 0.493 0.852) 0.984 4.232 ( 0.000 0.982 0.458) 1.083 4.256 ( 0.000 2.685 -2.255) 3.506 4.299 ( 0.000 3.454 -5.533) 6.523 7.021 ( -0.000 -0.526 -0.178) 0.556 7.026 ( -0.000 -0.667 -0.665) 0.942 7.596 ( -0.000 -3.969 14.794) 15.317 7.753 ( 0.000 0.433 -3.002) 3.033 7.800 ( 0.000 0.940 3.111) 3.249 7.883 ( -0.000 -1.885 -4.013) 4.433 8.223 ( 0.000 0.293 0.134) 0.322 8.226 ( 0.000 0.318 -0.147) 0.350 8.356 ( -0.000 -0.994 17.750) 17.778 8.591 ( 0.000 0.631 -6.236) 6.268 8.876 ( 0.000 0.653 10.073) 10.094 9.107 ( 0.000 1.153 -9.649) 9.718 9.496 ( 0.000 0.300 1.570) 1.599 9.547 ( -0.000 -0.438 -2.721) 2.756 10.090 ( 0.000 0.452 7.067) 7.081 10.235 ( 0.000 0.333 -6.017) 6.026======================= Grid point 503 (168/171) =======================q-point: (-0.57 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.407 ( -5.290 0.000 3.623) 6.412 1.542 ( -7.113 0.000 -8.934) 11.420 1.910 ( -14.723 0.000 12.914) 19.584 2.080 ( -15.305 0.000 -4.692) 16.009 2.185 ( -6.847 0.000 17.978) 19.238 2.432 ( -0.566 0.000 -5.417) 5.446 2.591 ( -20.290 0.000 0.793) 20.305 2.597 ( -15.936 0.000 0.750) 15.954 2.734 ( 1.813 -0.000 8.653) 8.841 2.888 ( -0.187 0.000 -2.695) 2.702 3.051 ( 1.644 -0.000 -1.830) 2.460 3.126 ( 1.354 -0.000 -11.840) 11.918 3.290 ( -10.798 0.000 5.173) 11.973 3.342 ( -15.436 0.000 -1.398) 15.499 3.423 ( -5.581 0.000 10.034) 11.481 3.619 ( 0.080 -0.000 -6.419) 6.419 3.972 ( 0.392 -0.000 2.843) 2.870 4.085 ( 3.598 -0.000 -8.051) 8.818 5.614 ( -46.584 0.000 5.005) 46.853 5.754 ( -41.155 0.000 -8.909) 42.108 7.018 ( -2.348 0.000 2.397) 3.355 7.068 ( -0.326 0.000 -2.408) 2.430 7.623 ( -0.259 0.000 6.125) 6.131 7.694 ( 3.138 -0.000 -1.514) 3.484 7.752 ( 1.831 -0.000 2.534) 3.126 7.816 ( 2.653 -0.000 -3.225) 4.176 8.336 ( -4.842 0.000 2.521) 5.459 8.347 ( -5.709 0.000 0.115) 5.711 8.509 ( -7.088 0.000 11.005) 13.090 8.638 ( 0.033 -0.000 -3.787) 3.787 8.769 ( 4.421 -0.000 13.741) 14.435 9.077 ( 0.876 -0.000 -11.211) 11.245 9.420 ( 3.924 -0.000 0.074) 3.925 9.452 ( 4.181 -0.000 -2.512) 4.877 9.914 ( 7.355 -0.000 8.106) 10.946 10.086 ( 6.377 -0.000 -7.396) 9.766======================= Grid point 505 (169/171) =======================q-point: (-0.50 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( -0.283 2.331 0.710) 2.453 1.433 ( -5.131 0.442 -5.898) 7.830 1.552 ( -18.426 0.869 7.239) 19.816 1.698 ( -19.916 0.837 -5.515) 20.682 2.079 ( -3.919 -1.507 27.441) 27.761 2.296 ( -9.579 0.383 4.560) 10.616 2.397 ( -5.915 0.438 -4.660) 7.543 2.435 ( 0.427 -0.591 -6.817) 6.856 2.782 ( 2.942 -0.074 9.739) 10.174 2.886 ( 0.138 -0.085 2.101) 2.107 3.020 ( -6.590 0.624 2.021) 6.921 3.064 ( -9.837 -0.861 -0.260) 9.878 3.117 ( -2.616 -0.183 -5.445) 6.044 3.168 ( 0.443 -0.125 -13.808) 13.815 3.379 ( -0.449 -1.016 15.711) 15.751 3.622 ( 0.212 -0.431 -7.587) 7.602 4.022 ( 5.489 0.259 4.050) 6.826 4.161 ( 4.159 0.877 -8.979) 9.934 4.766 ( -37.165 0.103 4.928) 37.490 4.906 ( -42.714 -0.442 -9.493) 43.758 7.004 ( 0.544 -0.142 2.285) 2.354 7.043 ( -1.876 -0.082 -1.889) 2.663 7.589 ( -2.884 -0.959 13.107) 13.455 7.740 ( 1.487 0.026 -2.913) 3.270 7.793 ( 1.903 0.355 1.925) 2.730 7.855 ( 1.230 -0.419 -3.784) 4.000 8.255 ( -3.000 -0.007 1.224) 3.240 8.259 ( -3.124 0.065 0.049) 3.125 8.394 ( -4.451 -0.051 17.398) 17.958 8.617 ( -1.639 0.243 -5.427) 5.674 8.852 ( 3.353 0.225 10.635) 11.153 9.102 ( 1.352 0.216 -9.947) 10.041 9.480 ( 2.187 0.312 0.344) 2.236 9.518 ( 2.353 -0.248 -2.637) 3.543 10.041 ( 5.198 0.156 7.392) 9.038 10.193 ( 4.286 0.079 -6.330) 7.645======================= Grid point 506 (170/171) =======================q-point: (-0.43 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( 0.000 2.213 10.372) 10.606 1.346 ( 0.000 5.386 -0.168) 5.389 1.425 ( 0.000 1.678 -7.453) 7.639 1.460 ( 0.000 0.969 -7.167) 7.232 2.053 ( -0.000 -2.211 30.207) 30.288 2.200 ( 0.000 0.863 6.277) 6.337 2.334 ( 0.000 1.464 -6.119) 6.291 2.443 ( -0.000 -0.393 -7.058) 7.069 2.818 ( 0.000 1.612 11.253) 11.368 2.903 ( -0.000 -1.959 4.357) 4.777 2.928 ( -0.000 -1.404 1.201) 1.848 2.956 ( -0.000 -0.663 -1.400) 1.549 3.107 ( 0.000 0.009 -6.423) 6.423 3.182 ( -0.000 -0.344 -15.152) 15.155 3.396 ( -0.000 -3.333 15.559) 15.912 3.632 ( -0.000 -1.584 -7.566) 7.730 4.231 ( 0.000 0.282 1.028) 1.066 4.239 ( 0.000 0.551 0.270) 0.614 4.276 ( 0.000 1.232 -1.918) 2.279 4.326 ( 0.000 1.779 -5.801) 6.068 7.017 ( -0.000 -0.293 -0.234) 0.375 7.021 ( -0.000 -0.372 -0.615) 0.719 7.561 ( -0.000 -2.506 17.186) 17.367 7.754 ( -0.000 -0.127 -3.665) 3.668 7.810 ( 0.000 0.814 2.002) 2.161 7.870 ( -0.000 -0.786 -3.588) 3.673 8.225 ( 0.000 0.162 0.145) 0.218 8.228 ( 0.000 0.175 -0.153) 0.233 8.349 ( -0.000 -0.325 19.109) 19.112 8.596 ( 0.000 0.301 -5.926) 5.933 8.883 ( 0.000 0.665 9.924) 9.946 9.115 ( 0.000 0.517 -9.397) 9.411 9.500 ( 0.000 0.394 0.801) 0.892 9.542 ( -0.000 -0.387 -2.670) 2.698 10.094 ( 0.000 0.309 6.976) 6.983 10.237 ( 0.000 0.121 -5.877) 5.879======================= Grid point 520 (171/171) =======================q-point: ( 0.50 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 5.25e-05 5.25e-05 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 0.000 0.000 10.001) 10.001 1.374 ( 0.000 0.000 -1.275) 1.275 1.434 ( 0.000 0.000 -6.647) 6.647 1.465 ( 0.000 0.000 -6.933) 6.933 2.041 ( 0.000 0.000 30.241) 30.241 2.204 ( 0.000 0.000 6.427) 6.427 2.341 ( 0.000 0.000 -6.269) 6.269 2.441 ( 0.000 0.000 -8.123) 8.123 2.828 ( 0.000 0.000 11.219) 11.219 2.891 ( 0.000 0.000 5.945) 5.945 2.921 ( 0.000 0.000 1.410) 1.410 2.952 ( 0.000 0.000 -1.574) 1.574 3.107 ( 0.000 0.000 -6.698) 6.698 3.180 ( 0.000 0.000 -15.126) 15.126 3.379 ( 0.000 0.000 15.879) 15.879 3.624 ( 0.000 0.000 -7.994) 7.994 4.233 ( 0.000 0.000 1.091) 1.091 4.242 ( 0.000 0.000 0.203) 0.203 4.282 ( 0.000 0.000 -1.760) 1.760 4.335 ( 0.000 0.000 -5.909) 5.909 7.015 ( 0.000 0.000 -0.254) 0.254 7.019 ( 0.000 0.000 -0.597) 0.597 7.548 ( 0.000 0.000 17.917) 17.917 7.753 ( 0.000 0.000 -4.001) 4.001 7.814 ( 0.000 0.000 1.685) 1.685 7.866 ( 0.000 0.000 -3.321) 3.321 8.226 ( 0.000 0.000 0.149) 0.149 8.229 ( 0.000 0.000 -0.155) 0.155 8.348 ( 0.000 0.000 19.525) 19.525 8.597 ( 0.000 0.000 -5.784) 5.784 8.887 ( 0.000 0.000 9.835) 9.835 9.117 ( 0.000 0.000 -9.226) 9.226 9.502 ( 0.000 0.000 0.432) 0.432 9.540 ( 0.000 0.000 -2.618) 2.618 10.095 ( 0.000 0.000 6.927) 6.927 10.237 ( 0.000 0.000 -5.812) 5.812=================== 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 3/35280 10.0 431.153 599.120 345.766 0.000 0.000 0.000 3/35280 20.0 137.566 67.226 111.934 0.000 0.000 0.000 3/35280 30.0 65.716 19.038 56.356 0.000 0.000 0.000 3/35280 40.0 42.965 9.572 37.791 0.000 0.000 0.000 3/35280 50.0 32.192 6.296 28.451 0.000 0.000 0.000 3/35280 60.0 25.694 4.706 22.617 0.000 0.000 0.000 3/35280 70.0 21.271 3.767 18.590 0.000 0.000 0.000 3/35280 80.0 18.071 3.146 15.668 0.000 0.000 0.000 3/35280 90.0 15.664 2.703 13.477 0.000 0.000 0.000 3/35280 100.0 13.802 2.372 11.792 0.000 0.000 0.000 3/35280 110.0 12.328 2.115 10.467 0.000 0.000 0.000 3/35280 120.0 11.135 1.910 9.403 0.000 0.000 0.000 3/35280 130.0 10.154 1.742 8.533 0.000 0.000 0.000 3/35280 140.0 9.332 1.602 7.811 0.000 0.000 0.000 3/35280 150.0 8.636 1.483 7.203 0.000 0.000 0.000 3/35280 160.0 8.038 1.382 6.684 0.000 0.000 0.000 3/35280 170.0 7.519 1.293 6.236 0.000 0.000 0.000 3/35280 180.0 7.065 1.216 5.845 0.000 0.000 0.000 3/35280 190.0 6.664 1.148 5.502 0.000 0.000 0.000 3/35280 200.0 6.307 1.087 5.198 0.000 0.000 0.000 3/35280 210.0 5.987 1.032 4.927 0.000 0.000 0.000 3/35280 220.0 5.698 0.983 4.683 0.000 0.000 0.000 3/35280 230.0 5.437 0.938 4.463 0.000 0.000 0.000 3/35280 240.0 5.200 0.898 4.263 0.000 0.000 0.000 3/35280 250.0 4.982 0.860 4.081 0.000 0.000 0.000 3/35280 260.0 4.783 0.826 3.914 0.000 0.000 0.000 3/35280 270.0 4.599 0.795 3.760 0.000 0.000 0.000 3/35280 280.0 4.429 0.765 3.619 0.000 0.000 0.000 3/35280 290.0 4.271 0.738 3.487 0.000 0.000 0.000 3/35280 300.0 4.125 0.713 3.366 0.000 0.000 0.000 3/35280 310.0 3.988 0.690 3.252 0.000 0.000 0.000 3/35280 320.0 3.860 0.668 3.147 0.000 0.000 0.000 3/35280 330.0 3.740 0.647 3.048 0.000 0.000 0.000 3/35280 340.0 3.628 0.628 2.955 0.000 0.000 0.000 3/35280 350.0 3.522 0.609 2.867 0.000 0.000 0.000 3/35280 360.0 3.423 0.592 2.785 0.000 0.000 0.000 3/35280 370.0 3.328 0.576 2.708 0.000 0.000 0.000 3/35280 380.0 3.239 0.561 2.634 0.000 0.000 0.000 3/35280 390.0 3.155 0.546 2.565 0.000 0.000 0.000 3/35280 400.0 3.075 0.532 2.499 0.000 0.000 0.000 3/35280 410.0 2.999 0.519 2.437 0.000 0.000 0.000 3/35280 420.0 2.927 0.507 2.378 0.000 0.000 0.000 3/35280 430.0 2.858 0.495 2.321 0.000 0.000 0.000 3/35280 440.0 2.792 0.483 2.268 0.000 0.000 0.000 3/35280 450.0 2.730 0.473 2.216 0.000 0.000 0.000 3/35280 460.0 2.670 0.462 2.167 0.000 0.000 0.000 3/35280 470.0 2.612 0.452 2.120 0.000 0.000 0.000 3/35280 480.0 2.557 0.443 2.075 0.000 0.000 0.000 3/35280 490.0 2.505 0.434 2.032 0.000 0.000 0.000 3/35280 500.0 2.454 0.425 1.991 0.000 0.000 0.000 3/35280 510.0 2.406 0.417 1.952 0.000 0.000 0.000 3/35280 520.0 2.359 0.409 1.914 0.000 0.000 0.000 3/35280 530.0 2.315 0.401 1.877 0.000 0.000 0.000 3/35280 540.0 2.272 0.393 1.842 0.000 0.000 0.000 3/35280 550.0 2.230 0.386 1.808 0.000 0.000 0.000 3/35280 560.0 2.190 0.379 1.775 0.000 0.000 0.000 3/35280 570.0 2.151 0.373 1.744 0.000 0.000 0.000 3/35280 580.0 2.114 0.366 1.714 0.000 0.000 0.000 3/35280 590.0 2.078 0.360 1.684 0.000 0.000 0.000 3/35280 600.0 2.043 0.354 1.656 0.000 0.000 0.000 3/35280 610.0 2.010 0.348 1.629 0.000 0.000 0.000 3/35280 620.0 1.977 0.342 1.602 0.000 0.000 0.000 3/35280 630.0 1.946 0.337 1.576 0.000 0.000 0.000 3/35280 640.0 1.915 0.332 1.552 0.000 0.000 0.000 3/35280 650.0 1.886 0.327 1.528 0.000 0.000 0.000 3/35280 660.0 1.857 0.322 1.504 0.000 0.000 0.000 3/35280 670.0 1.829 0.317 1.482 0.000 0.000 0.000 3/35280 680.0 1.802 0.312 1.460 0.000 0.000 0.000 3/35280 690.0 1.776 0.308 1.438 0.000 0.000 0.000 3/35280 700.0 1.751 0.303 1.418 0.000 0.000 0.000 3/35280 710.0 1.726 0.299 1.398 0.000 0.000 0.000 3/35280 720.0 1.702 0.295 1.378 0.000 0.000 0.000 3/35280 730.0 1.679 0.291 1.359 0.000 0.000 0.000 3/35280 740.0 1.656 0.287 1.341 0.000 0.000 0.000 3/35280 750.0 1.634 0.283 1.323 0.000 0.000 0.000 3/35280 760.0 1.612 0.279 1.305 0.000 0.000 0.000 3/35280 770.0 1.591 0.276 1.288 0.000 0.000 0.000 3/35280 780.0 1.571 0.272 1.272 0.000 0.000 0.000 3/35280 790.0 1.551 0.269 1.256 0.000 0.000 0.000 3/35280 800.0 1.532 0.265 1.240 0.000 0.000 0.000 3/35280 810.0 1.513 0.262 1.224 0.000 0.000 0.000 3/35280 820.0 1.494 0.259 1.209 0.000 0.000 0.000 3/35280 830.0 1.476 0.256 1.195 0.000 0.000 0.000 3/35280 840.0 1.459 0.253 1.181 0.000 0.000 0.000 3/35280 850.0 1.442 0.250 1.167 0.000 0.000 0.000 3/35280 860.0 1.425 0.247 1.153 0.000 0.000 0.000 3/35280 870.0 1.408 0.244 1.140 0.000 0.000 0.000 3/35280 880.0 1.392 0.241 1.127 0.000 0.000 0.000 3/35280 890.0 1.377 0.238 1.114 0.000 0.000 0.000 3/35280 900.0 1.362 0.236 1.102 0.000 0.000 0.000 3/35280 910.0 1.347 0.233 1.090 0.000 0.000 0.000 3/35280 920.0 1.332 0.231 1.078 0.000 0.000 0.000 3/35280 930.0 1.318 0.228 1.066 0.000 0.000 0.000 3/35280 940.0 1.304 0.226 1.055 0.000 0.000 0.000 3/35280 950.0 1.290 0.223 1.044 0.000 0.000 0.000 3/35280 960.0 1.276 0.221 1.033 0.000 0.000 0.000 3/35280 970.0 1.263 0.219 1.022 0.000 0.000 0.000 3/35280 980.0 1.250 0.217 1.012 0.000 0.000 0.000 3/35280 990.0 1.238 0.214 1.001 0.000 0.000 0.000 3/35280 1000.0 1.225 0.212 0.991 0.000 0.000 0.000 3/35280Thermal conductivity related properties were written into "kappa-m14145.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:37:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|