----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:38:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.673212915948158 -6.334478920000000 0.000000000000000 b 3.673212915948158 6.334478920000000 0.000000000000000 c -2.174985542113104 0.000000000000000 6.849602513371288 Atomic positions (fractional): *1 K 0.91081921550434 0.08918078449566 0.75000000000000 39.098 *2 K 0.23783974114131 0.76216025885869 0.75000000000000 39.098 3 K 0.08918078449566 0.91081921550434 0.25000000000000 39.098 4 K 0.76216025885869 0.23783974114131 0.25000000000000 39.098 *5 Th 0.58171955421128 0.41828044578872 0.75000000000000 232.038 6 Th 0.41828044578871 0.58171955421128 0.25000000000000 232.038 *7 F 0.24953811586340 0.10789461904509 0.63377511145446 18.998 *8 F 0.83702984206613 0.38643898286446 0.63379383683788 18.998 9 F 0.75046188413660 0.89210538095491 0.36622488854554 18.998 *10 F 0.66471949429125 0.51818312193681 0.10517738525407 18.998 11 F 0.48181687806319 0.33528050570875 0.39482261474593 18.998 12 F 0.51818312193681 0.66471949429125 0.60517738525407 18.998 13 F 0.38643898286447 0.83702984206613 0.13379383683788 18.998 14 F 0.33528050570875 0.48181687806319 0.89482261474593 18.998 15 F 0.16297015793387 0.61356101713554 0.36620616316212 18.998 16 F 0.10789461904509 0.24953811586340 0.13377511145446 18.998 17 F 0.89210538095491 0.75046188413660 0.86622488854554 18.998 18 F 0.61356101713554 0.16297015793387 0.86620616316212 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.346425831896316 0.000000000000000 0.000000000000000 b 0.000000000000000 12.668957839999999 0.000000000000000 c -2.174985542113104 0.000000000000000 6.849602513371288 Atomic positions (fractional): *1 K 0.50000000000000 0.58918078449566 0.75000000000000 39.098 > 1 *2 K 0.50000000000000 0.26216025885869 0.75000000000000 39.098 > 2 3 K 0.50000000000000 0.41081921550434 0.25000000000000 39.098 > 3 4 K 0.50000000000000 0.73783974114131 0.25000000000000 39.098 > 4 5 K 0.00000000000000 0.08918078449566 0.75000000000000 39.098 > 1 6 K 0.00000000000000 0.76216025885869 0.75000000000000 39.098 > 2 7 K 0.00000000000000 0.91081921550434 0.25000000000000 39.098 > 3 8 K 0.00000000000000 0.23783974114131 0.25000000000000 39.098 > 4 *9 Th 0.50000000000000 0.91828044578872 0.75000000000000 232.038 > 5 10 Th 0.50000000000000 0.08171955421129 0.25000000000000 232.038 > 6 11 Th 0.00000000000000 0.41828044578871 0.75000000000000 232.038 > 5 12 Th 0.00000000000000 0.58171955421128 0.25000000000000 232.038 > 6 *13 F 0.17871636745424 0.92917825159084 0.63377511145446 18.998 > 7 *14 F 0.61173441246530 0.77470457039917 0.63379383683788 18.998 > 8 15 F 0.82128363254576 0.07082174840916 0.36622488854554 18.998 > 9 *16 F 0.59145130811403 0.92673181382278 0.10517738525407 18.998 > 10 17 F 0.40854869188597 0.92673181382278 0.39482261474593 18.998 > 11 18 F 0.59145130811403 0.07326818617722 0.60517738525407 18.998 > 12 19 F 0.61173441246530 0.22529542960083 0.13379383683788 18.998 > 13 20 F 0.40854869188597 0.07326818617722 0.89482261474593 18.998 > 14 21 F 0.38826558753470 0.22529542960083 0.36620616316212 18.998 > 15 22 F 0.17871636745424 0.07082174840916 0.13377511145446 18.998 > 16 23 F 0.82128363254576 0.92917825159084 0.86622488854554 18.998 > 17 24 F 0.38826558753470 0.77470457039917 0.86620616316212 18.998 > 18 25 F 0.67871636745424 0.42917825159084 0.63377511145446 18.998 > 7 26 F 0.11173441246530 0.27470457039917 0.63379383683788 18.998 > 8 27 F 0.32128363254576 0.57082174840916 0.36622488854554 18.998 > 9 28 F 0.09145130811403 0.42673181382278 0.10517738525407 18.998 > 10 29 F 0.90854869188597 0.42673181382278 0.39482261474593 18.998 > 11 30 F 0.09145130811403 0.57326818617722 0.60517738525407 18.998 > 12 31 F 0.11173441246530 0.72529542960083 0.13379383683788 18.998 > 13 32 F 0.90854869188597 0.57326818617722 0.89482261474593 18.998 > 14 33 F 0.88826558753470 0.72529542960083 0.36620616316212 18.998 > 15 34 F 0.67871636745424 0.57082174840916 0.13377511145446 18.998 > 16 35 F 0.32128363254576 0.42917825159084 0.86622488854554 18.998 > 17 36 F 0.88826558753470 0.27470457039917 0.86620616316212 18.998 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.692851663792633 0.000000000000000 0.000000000000000 b 0.000000000000000 12.668957839999999 0.000000000000000 c -4.349971084226208 0.000000000000000 13.699205026742575 Atomic positions (fractional): *1 K 0.25000000000000 0.58918078449566 0.37500000000000 39.098 > 1 2 K 0.75000000000000 0.58918078449566 0.37500000000000 39.098 > 1 3 K 0.25000000000000 0.58918078449566 0.87500000000000 39.098 > 1 4 K 0.75000000000000 0.58918078449566 0.87500000000000 39.098 > 1 *5 K 0.25000000000000 0.26216025885869 0.37500000000000 39.098 > 2 6 K 0.75000000000000 0.26216025885869 0.37500000000000 39.098 > 2 7 K 0.25000000000000 0.26216025885869 0.87500000000000 39.098 > 2 8 K 0.75000000000000 0.26216025885869 0.87500000000000 39.098 > 2 9 K 0.25000000000000 0.41081921550434 0.12500000000000 39.098 > 3 10 K 0.75000000000000 0.41081921550434 0.12500000000000 39.098 > 3 11 K 0.25000000000000 0.41081921550434 0.62500000000000 39.098 > 3 12 K 0.75000000000000 0.41081921550434 0.62500000000000 39.098 > 3 13 K 0.25000000000000 0.73783974114131 0.12500000000000 39.098 > 4 14 K 0.75000000000000 0.73783974114131 0.12500000000000 39.098 > 4 15 K 0.25000000000000 0.73783974114131 0.62500000000000 39.098 > 4 16 K 0.75000000000000 0.73783974114131 0.62500000000000 39.098 > 4 17 K 0.00000000000000 0.08918078449566 0.37500000000000 39.098 > 1 18 K 0.50000000000000 0.08918078449566 0.37500000000000 39.098 > 1 19 K 0.00000000000000 0.08918078449566 0.87500000000000 39.098 > 1 20 K 0.50000000000000 0.08918078449566 0.87500000000000 39.098 > 1 21 K 0.00000000000000 0.76216025885869 0.37500000000000 39.098 > 2 22 K 0.50000000000000 0.76216025885869 0.37500000000000 39.098 > 2 23 K 0.00000000000000 0.76216025885869 0.87500000000000 39.098 > 2 24 K 0.50000000000000 0.76216025885869 0.87500000000000 39.098 > 2 25 K 0.00000000000000 0.91081921550434 0.12500000000000 39.098 > 3 26 K 0.50000000000000 0.91081921550434 0.12500000000000 39.098 > 3 27 K 0.00000000000000 0.91081921550434 0.62500000000000 39.098 > 3 28 K 0.50000000000000 0.91081921550434 0.62500000000000 39.098 > 3 29 K 0.00000000000000 0.23783974114131 0.12500000000000 39.098 > 4 30 K 0.50000000000000 0.23783974114131 0.12500000000000 39.098 > 4 31 K 0.00000000000000 0.23783974114131 0.62500000000000 39.098 > 4 32 K 0.50000000000000 0.23783974114131 0.62500000000000 39.098 > 4 *33 Th 0.25000000000000 0.91828044578872 0.37500000000000 232.038 > 5 34 Th 0.75000000000000 0.91828044578872 0.37500000000000 232.038 > 5 35 Th 0.25000000000000 0.91828044578872 0.87500000000000 232.038 > 5 36 Th 0.75000000000000 0.91828044578872 0.87500000000000 232.038 > 5 37 Th 0.25000000000000 0.08171955421129 0.12500000000000 232.038 > 6 38 Th 0.75000000000000 0.08171955421129 0.12500000000000 232.038 > 6 39 Th 0.25000000000000 0.08171955421129 0.62500000000000 232.038 > 6 40 Th 0.75000000000000 0.08171955421129 0.62500000000000 232.038 > 6 41 Th 0.00000000000000 0.41828044578871 0.37500000000000 232.038 > 5 42 Th 0.50000000000000 0.41828044578871 0.37500000000000 232.038 > 5 43 Th 0.00000000000000 0.41828044578871 0.87500000000000 232.038 > 5 44 Th 0.50000000000000 0.41828044578871 0.87500000000000 232.038 > 5 45 Th 0.00000000000000 0.58171955421128 0.12500000000000 232.038 > 6 46 Th 0.50000000000000 0.58171955421128 0.12500000000000 232.038 > 6 47 Th 0.00000000000000 0.58171955421128 0.62500000000000 232.038 > 6 48 Th 0.50000000000000 0.58171955421128 0.62500000000000 232.038 > 6 *49 F 0.08935818372712 0.92917825159084 0.31688755572723 18.998 > 7 50 F 0.58935818372712 0.92917825159084 0.31688755572723 18.998 > 7 51 F 0.08935818372712 0.92917825159084 0.81688755572723 18.998 > 7 52 F 0.58935818372712 0.92917825159084 0.81688755572723 18.998 > 7 *53 F 0.30586720623265 0.77470457039917 0.31689691841894 18.998 > 8 54 F 0.80586720623265 0.77470457039917 0.31689691841894 18.998 > 8 55 F 0.30586720623265 0.77470457039917 0.81689691841894 18.998 > 8 56 F 0.80586720623265 0.77470457039917 0.81689691841894 18.998 > 8 57 F 0.41064181627288 0.07082174840916 0.18311244427277 18.998 > 9 58 F 0.91064181627288 0.07082174840916 0.18311244427277 18.998 > 9 59 F 0.41064181627288 0.07082174840916 0.68311244427277 18.998 > 9 60 F 0.91064181627288 0.07082174840916 0.68311244427277 18.998 > 9 *61 F 0.29572565405702 0.92673181382278 0.05258869262703 18.998 > 10 62 F 0.79572565405702 0.92673181382278 0.05258869262703 18.998 > 10 63 F 0.29572565405702 0.92673181382278 0.55258869262703 18.998 > 10 64 F 0.79572565405702 0.92673181382278 0.55258869262703 18.998 > 10 65 F 0.20427434594298 0.92673181382278 0.19741130737297 18.998 > 11 66 F 0.70427434594298 0.92673181382278 0.19741130737297 18.998 > 11 67 F 0.20427434594298 0.92673181382278 0.69741130737297 18.998 > 11 68 F 0.70427434594298 0.92673181382278 0.69741130737297 18.998 > 11 69 F 0.29572565405702 0.07326818617722 0.30258869262703 18.998 > 12 70 F 0.79572565405702 0.07326818617722 0.30258869262703 18.998 > 12 71 F 0.29572565405702 0.07326818617722 0.80258869262703 18.998 > 12 72 F 0.79572565405702 0.07326818617722 0.80258869262703 18.998 > 12 73 F 0.30586720623265 0.22529542960083 0.06689691841894 18.998 > 13 74 F 0.80586720623265 0.22529542960083 0.06689691841894 18.998 > 13 75 F 0.30586720623265 0.22529542960083 0.56689691841894 18.998 > 13 76 F 0.80586720623265 0.22529542960083 0.56689691841894 18.998 > 13 77 F 0.20427434594298 0.07326818617722 0.44741130737297 18.998 > 14 78 F 0.70427434594298 0.07326818617722 0.44741130737297 18.998 > 14 79 F 0.20427434594298 0.07326818617722 0.94741130737297 18.998 > 14 80 F 0.70427434594298 0.07326818617722 0.94741130737297 18.998 > 14 81 F 0.19413279376735 0.22529542960083 0.18310308158106 18.998 > 15 82 F 0.69413279376735 0.22529542960083 0.18310308158106 18.998 > 15 83 F 0.19413279376735 0.22529542960083 0.68310308158106 18.998 > 15 84 F 0.69413279376735 0.22529542960083 0.68310308158106 18.998 > 15 85 F 0.08935818372712 0.07082174840916 0.06688755572723 18.998 > 16 86 F 0.58935818372712 0.07082174840916 0.06688755572723 18.998 > 16 87 F 0.08935818372712 0.07082174840916 0.56688755572723 18.998 > 16 88 F 0.58935818372712 0.07082174840916 0.56688755572723 18.998 > 16 89 F 0.41064181627288 0.92917825159084 0.43311244427277 18.998 > 17 90 F 0.91064181627288 0.92917825159084 0.43311244427277 18.998 > 17 91 F 0.41064181627288 0.92917825159084 0.93311244427277 18.998 > 17 92 F 0.91064181627288 0.92917825159084 0.93311244427277 18.998 > 17 93 F 0.19413279376735 0.77470457039917 0.43310308158106 18.998 > 18 94 F 0.69413279376735 0.77470457039917 0.43310308158106 18.998 > 18 95 F 0.19413279376735 0.77470457039917 0.93310308158106 18.998 > 18 96 F 0.69413279376735 0.77470457039917 0.93310308158106 18.998 > 18 97 F 0.33935818372712 0.42917825159084 0.31688755572723 18.998 > 7 98 F 0.83935818372712 0.42917825159084 0.31688755572723 18.998 > 7 99 F 0.33935818372712 0.42917825159084 0.81688755572723 18.998 > 7 100 F 0.83935818372712 0.42917825159084 0.81688755572723 18.998 > 7 101 F 0.05586720623265 0.27470457039917 0.31689691841894 18.998 > 8 102 F 0.55586720623265 0.27470457039917 0.31689691841894 18.998 > 8 103 F 0.05586720623265 0.27470457039917 0.81689691841894 18.998 > 8 104 F 0.55586720623265 0.27470457039917 0.81689691841894 18.998 > 8 105 F 0.16064181627288 0.57082174840916 0.18311244427277 18.998 > 9 106 F 0.66064181627288 0.57082174840916 0.18311244427277 18.998 > 9 107 F 0.16064181627288 0.57082174840916 0.68311244427277 18.998 > 9 108 F 0.66064181627288 0.57082174840916 0.68311244427277 18.998 > 9 109 F 0.04572565405702 0.42673181382278 0.05258869262703 18.998 > 10 110 F 0.54572565405702 0.42673181382278 0.05258869262703 18.998 > 10 111 F 0.04572565405702 0.42673181382278 0.55258869262703 18.998 > 10 112 F 0.54572565405702 0.42673181382278 0.55258869262703 18.998 > 10 113 F 0.45427434594298 0.42673181382278 0.19741130737297 18.998 > 11 114 F 0.95427434594298 0.42673181382278 0.19741130737297 18.998 > 11 115 F 0.45427434594298 0.42673181382278 0.69741130737297 18.998 > 11 116 F 0.95427434594298 0.42673181382278 0.69741130737297 18.998 > 11 117 F 0.04572565405702 0.57326818617722 0.30258869262703 18.998 > 12 118 F 0.54572565405702 0.57326818617722 0.30258869262703 18.998 > 12 119 F 0.04572565405702 0.57326818617722 0.80258869262703 18.998 > 12 120 F 0.54572565405702 0.57326818617722 0.80258869262703 18.998 > 12 121 F 0.05586720623265 0.72529542960083 0.06689691841894 18.998 > 13 122 F 0.55586720623265 0.72529542960083 0.06689691841894 18.998 > 13 123 F 0.05586720623265 0.72529542960083 0.56689691841894 18.998 > 13 124 F 0.55586720623265 0.72529542960083 0.56689691841894 18.998 > 13 125 F 0.45427434594298 0.57326818617722 0.44741130737297 18.998 > 14 126 F 0.95427434594298 0.57326818617722 0.44741130737297 18.998 > 14 127 F 0.45427434594298 0.57326818617722 0.94741130737297 18.998 > 14 128 F 0.95427434594298 0.57326818617722 0.94741130737297 18.998 > 14 129 F 0.44413279376735 0.72529542960083 0.18310308158106 18.998 > 15 130 F 0.94413279376735 0.72529542960083 0.18310308158106 18.998 > 15 131 F 0.44413279376735 0.72529542960083 0.68310308158106 18.998 > 15 132 F 0.94413279376735 0.72529542960083 0.68310308158106 18.998 > 15 133 F 0.33935818372712 0.57082174840916 0.06688755572723 18.998 > 16 134 F 0.83935818372712 0.57082174840916 0.06688755572723 18.998 > 16 135 F 0.33935818372712 0.57082174840916 0.56688755572723 18.998 > 16 136 F 0.83935818372712 0.57082174840916 0.56688755572723 18.998 > 16 137 F 0.16064181627288 0.42917825159084 0.43311244427277 18.998 > 17 138 F 0.66064181627288 0.42917825159084 0.43311244427277 18.998 > 17 139 F 0.16064181627288 0.42917825159084 0.93311244427277 18.998 > 17 140 F 0.66064181627288 0.42917825159084 0.93311244427277 18.998 > 17 141 F 0.44413279376735 0.27470457039917 0.43310308158106 18.998 > 18 142 F 0.94413279376735 0.27470457039917 0.43310308158106 18.998 > 18 143 F 0.44413279376735 0.27470457039917 0.93310308158106 18.998 > 18 144 F 0.94413279376735 0.27470457039917 0.93310308158106 18.998 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1774340 0.0000000 -0.0168324 0.0000000 2.1715052 0.0000000 -0.0168234 0.0000000 2.2007754 -------------------------- Born effective charges -------------------------- 1 K 1.2128699 0.0000000 0.1268899 0.0000000 1.2516856 0.0000000 0.1042659 0.0000000 1.1685691 2 K 1.2401963 0.0000000 -0.0498857 0.0000000 1.1988375 0.0000000 -0.0218357 0.0000000 1.1777266 3 K 1.2128699 0.0000000 0.1268899 0.0000000 1.2516856 0.0000000 0.1042659 0.0000000 1.1685691 4 K 1.2401963 0.0000000 -0.0498857 0.0000000 1.1988375 0.0000000 -0.0218357 0.0000000 1.1777266 5 Th 4.6704348 0.0000000 -0.2012392 0.0000000 4.5630035 0.0000000 -0.2124263 0.0000000 4.8437140 6 Th 4.6704348 0.0000000 -0.2012392 0.0000000 4.5630035 0.0000000 -0.2124263 0.0000000 4.8437140 7 F -1.7538978 0.0655907 -0.3598090 0.0268966 -0.7769217 0.0039630 -0.3694843 -0.0114013 -0.9478241 8 F -1.0144816 0.4093672 0.1836977 0.4470745 -1.5277822 -0.3018052 0.1770846 -0.3161602 -0.9431621 9 F -1.7538978 0.0655907 -0.3598090 0.0268966 -0.7769217 0.0039630 -0.3694843 -0.0114013 -0.9478241 10 F -0.7933711 0.2752627 0.2382289 0.2730686 -1.2020593 -0.3729258 0.2573977 -0.4169201 -1.7040187 11 F -0.7933711 -0.2752627 0.2382289 -0.2730686 -1.2020593 0.3729258 0.2573977 0.4169201 -1.7040187 12 F -0.7933711 -0.2752627 0.2382289 -0.2730686 -1.2020593 0.3729258 0.2573977 0.4169201 -1.7040187 13 F -1.0144816 -0.4093672 0.1836977 -0.4470745 -1.5277822 0.3018052 0.1770846 0.3161602 -0.9431621 14 F -0.7933711 0.2752627 0.2382289 0.2730686 -1.2020593 -0.3729258 0.2573977 -0.4169201 -1.7040187 15 F -1.0144816 0.4093672 0.1836977 0.4470745 -1.5277822 -0.3018052 0.1770846 -0.3161602 -0.9431621 16 F -1.7538978 -0.0655907 -0.3598090 -0.0268966 -0.7769217 -0.0039630 -0.3694843 0.0114013 -0.9478241 17 F -1.7538978 -0.0655907 -0.3598090 -0.0268966 -0.7769217 -0.0039630 -0.3694843 0.0114013 -0.9478241 18 F -1.0144816 -0.4093672 0.1836977 -0.4470745 -1.5277822 0.3018052 0.1770846 0.3161602 -0.9431621 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 14832/14832 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3060 Number of blocks in projector: 3060 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3060, 3019), data: False |-- (378, 372), data: True |-- (378, 372), data: True |-- (378, 372), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (666, 655), data: False |-- (666, 5), data: (666, 16) @ (16, 5) |-- (166, 161), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.117 Solver_block: 200 / 560 - Time: 1.101 Solver_block: 300 / 560 - Time: 1.100 Solver_block: 400 / 560 - Time: 1.100 Solver_block: 500 / 560 - Time: 1.112 Solver_block: 560 / 560 - Time: 0.722 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.379 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14832/14832 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3060 Number of blocks in projector: 3060 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3060, 3019), data: False |-- (378, 372), data: True |-- (378, 372), data: True |-- (378, 372), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (666, 655), data: False |-- (666, 5), data: (666, 16) @ (16, 5) |-- (166, 161), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:39:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:39:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.673212915948158 -6.334478920000000 0.000000000000000 b 3.673212915948158 6.334478920000000 0.000000000000000 c -2.174985542113104 0.000000000000000 6.849602513371288 Atomic positions (fractional): 1 K 0.91081921550434 0.08918078449566 0.75000000000000 39.098 2 K 0.23783974114131 0.76216025885869 0.75000000000000 39.098 3 K 0.08918078449566 0.91081921550434 0.25000000000000 39.098 4 K 0.76216025885869 0.23783974114131 0.25000000000000 39.098 5 Th 0.58171955421128 0.41828044578872 0.75000000000000 232.038 6 Th 0.41828044578871 0.58171955421128 0.25000000000000 232.038 7 F 0.24953811586340 0.10789461904509 0.63377511145446 18.998 8 F 0.83702984206613 0.38643898286446 0.63379383683788 18.998 9 F 0.75046188413660 0.89210538095491 0.36622488854554 18.998 10 F 0.66471949429125 0.51818312193681 0.10517738525407 18.998 11 F 0.48181687806319 0.33528050570875 0.39482261474593 18.998 12 F 0.51818312193681 0.66471949429125 0.60517738525407 18.998 13 F 0.38643898286447 0.83702984206613 0.13379383683788 18.998 14 F 0.33528050570875 0.48181687806319 0.89482261474593 18.998 15 F 0.16297015793387 0.61356101713554 0.36620616316212 18.998 16 F 0.10789461904509 0.24953811586340 0.13377511145446 18.998 17 F 0.89210538095491 0.75046188413660 0.86622488854554 18.998 18 F 0.61356101713554 0.16297015793387 0.86620616316212 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.692851663792633 0.000000000000000 0.000000000000000 b 0.000000000000000 12.668957839999999 0.000000000000000 c -4.349971084226208 0.000000000000000 13.699205026742575 Atomic positions (fractional): 1 K 0.25000000000000 0.58918078449566 0.37500000000000 39.098 > 1 2 K 0.75000000000000 0.58918078449566 0.37500000000000 39.098 > 1 3 K 0.25000000000000 0.58918078449566 0.87500000000000 39.098 > 1 4 K 0.75000000000000 0.58918078449566 0.87500000000000 39.098 > 1 5 K 0.25000000000000 0.26216025885869 0.37500000000000 39.098 > 5 6 K 0.75000000000000 0.26216025885869 0.37500000000000 39.098 > 5 7 K 0.25000000000000 0.26216025885869 0.87500000000000 39.098 > 5 8 K 0.75000000000000 0.26216025885869 0.87500000000000 39.098 > 5 9 K 0.25000000000000 0.41081921550434 0.12500000000000 39.098 > 9 10 K 0.75000000000000 0.41081921550434 0.12500000000000 39.098 > 9 11 K 0.25000000000000 0.41081921550434 0.62500000000000 39.098 > 9 12 K 0.75000000000000 0.41081921550434 0.62500000000000 39.098 > 9 13 K 0.25000000000000 0.73783974114131 0.12500000000000 39.098 > 13 14 K 0.75000000000000 0.73783974114131 0.12500000000000 39.098 > 13 15 K 0.25000000000000 0.73783974114131 0.62500000000000 39.098 > 13 16 K 0.75000000000000 0.73783974114131 0.62500000000000 39.098 > 13 17 K 0.00000000000000 0.08918078449566 0.37500000000000 39.098 > 1 18 K 0.50000000000000 0.08918078449566 0.37500000000000 39.098 > 1 19 K 0.00000000000000 0.08918078449566 0.87500000000000 39.098 > 1 20 K 0.50000000000000 0.08918078449566 0.87500000000000 39.098 > 1 21 K 0.00000000000000 0.76216025885869 0.37500000000000 39.098 > 5 22 K 0.50000000000000 0.76216025885869 0.37500000000000 39.098 > 5 23 K 0.00000000000000 0.76216025885869 0.87500000000000 39.098 > 5 24 K 0.50000000000000 0.76216025885869 0.87500000000000 39.098 > 5 25 K 0.00000000000000 0.91081921550434 0.12500000000000 39.098 > 9 26 K 0.50000000000000 0.91081921550434 0.12500000000000 39.098 > 9 27 K 0.00000000000000 0.91081921550434 0.62500000000000 39.098 > 9 28 K 0.50000000000000 0.91081921550434 0.62500000000000 39.098 > 9 29 K 0.00000000000000 0.23783974114131 0.12500000000000 39.098 > 13 30 K 0.50000000000000 0.23783974114131 0.12500000000000 39.098 > 13 31 K 0.00000000000000 0.23783974114131 0.62500000000000 39.098 > 13 32 K 0.50000000000000 0.23783974114131 0.62500000000000 39.098 > 13 33 Th 0.25000000000000 0.91828044578872 0.37500000000000 232.038 > 33 34 Th 0.75000000000000 0.91828044578872 0.37500000000000 232.038 > 33 35 Th 0.25000000000000 0.91828044578872 0.87500000000000 232.038 > 33 36 Th 0.75000000000000 0.91828044578872 0.87500000000000 232.038 > 33 37 Th 0.25000000000000 0.08171955421129 0.12500000000000 232.038 > 37 38 Th 0.75000000000000 0.08171955421129 0.12500000000000 232.038 > 37 39 Th 0.25000000000000 0.08171955421129 0.62500000000000 232.038 > 37 40 Th 0.75000000000000 0.08171955421129 0.62500000000000 232.038 > 37 41 Th 0.00000000000000 0.41828044578871 0.37500000000000 232.038 > 33 42 Th 0.50000000000000 0.41828044578871 0.37500000000000 232.038 > 33 43 Th 0.00000000000000 0.41828044578871 0.87500000000000 232.038 > 33 44 Th 0.50000000000000 0.41828044578871 0.87500000000000 232.038 > 33 45 Th 0.00000000000000 0.58171955421128 0.12500000000000 232.038 > 37 46 Th 0.50000000000000 0.58171955421128 0.12500000000000 232.038 > 37 47 Th 0.00000000000000 0.58171955421128 0.62500000000000 232.038 > 37 48 Th 0.50000000000000 0.58171955421128 0.62500000000000 232.038 > 37 49 F 0.08935818372712 0.92917825159084 0.31688755572723 18.998 > 49 50 F 0.58935818372712 0.92917825159084 0.31688755572723 18.998 > 49 51 F 0.08935818372712 0.92917825159084 0.81688755572723 18.998 > 49 52 F 0.58935818372712 0.92917825159084 0.81688755572723 18.998 > 49 53 F 0.30586720623265 0.77470457039917 0.31689691841894 18.998 > 53 54 F 0.80586720623265 0.77470457039917 0.31689691841894 18.998 > 53 55 F 0.30586720623265 0.77470457039917 0.81689691841894 18.998 > 53 56 F 0.80586720623265 0.77470457039917 0.81689691841894 18.998 > 53 57 F 0.41064181627288 0.07082174840916 0.18311244427277 18.998 > 57 58 F 0.91064181627288 0.07082174840916 0.18311244427277 18.998 > 57 59 F 0.41064181627288 0.07082174840916 0.68311244427277 18.998 > 57 60 F 0.91064181627288 0.07082174840916 0.68311244427277 18.998 > 57 61 F 0.29572565405702 0.92673181382278 0.05258869262703 18.998 > 61 62 F 0.79572565405702 0.92673181382278 0.05258869262703 18.998 > 61 63 F 0.29572565405702 0.92673181382278 0.55258869262703 18.998 > 61 64 F 0.79572565405702 0.92673181382278 0.55258869262703 18.998 > 61 65 F 0.20427434594298 0.92673181382278 0.19741130737297 18.998 > 65 66 F 0.70427434594298 0.92673181382278 0.19741130737297 18.998 > 65 67 F 0.20427434594298 0.92673181382278 0.69741130737297 18.998 > 65 68 F 0.70427434594298 0.92673181382278 0.69741130737297 18.998 > 65 69 F 0.29572565405702 0.07326818617722 0.30258869262703 18.998 > 69 70 F 0.79572565405702 0.07326818617722 0.30258869262703 18.998 > 69 71 F 0.29572565405702 0.07326818617722 0.80258869262703 18.998 > 69 72 F 0.79572565405702 0.07326818617722 0.80258869262703 18.998 > 69 73 F 0.30586720623265 0.22529542960083 0.06689691841894 18.998 > 73 74 F 0.80586720623265 0.22529542960083 0.06689691841894 18.998 > 73 75 F 0.30586720623265 0.22529542960083 0.56689691841894 18.998 > 73 76 F 0.80586720623265 0.22529542960083 0.56689691841894 18.998 > 73 77 F 0.20427434594298 0.07326818617722 0.44741130737297 18.998 > 77 78 F 0.70427434594298 0.07326818617722 0.44741130737297 18.998 > 77 79 F 0.20427434594298 0.07326818617722 0.94741130737297 18.998 > 77 80 F 0.70427434594298 0.07326818617722 0.94741130737297 18.998 > 77 81 F 0.19413279376735 0.22529542960083 0.18310308158106 18.998 > 81 82 F 0.69413279376735 0.22529542960083 0.18310308158106 18.998 > 81 83 F 0.19413279376735 0.22529542960083 0.68310308158106 18.998 > 81 84 F 0.69413279376735 0.22529542960083 0.68310308158106 18.998 > 81 85 F 0.08935818372712 0.07082174840916 0.06688755572723 18.998 > 85 86 F 0.58935818372712 0.07082174840916 0.06688755572723 18.998 > 85 87 F 0.08935818372712 0.07082174840916 0.56688755572723 18.998 > 85 88 F 0.58935818372712 0.07082174840916 0.56688755572723 18.998 > 85 89 F 0.41064181627288 0.92917825159084 0.43311244427277 18.998 > 89 90 F 0.91064181627288 0.92917825159084 0.43311244427277 18.998 > 89 91 F 0.41064181627288 0.92917825159084 0.93311244427277 18.998 > 89 92 F 0.91064181627288 0.92917825159084 0.93311244427277 18.998 > 89 93 F 0.19413279376735 0.77470457039917 0.43310308158106 18.998 > 93 94 F 0.69413279376735 0.77470457039917 0.43310308158106 18.998 > 93 95 F 0.19413279376735 0.77470457039917 0.93310308158106 18.998 > 93 96 F 0.69413279376735 0.77470457039917 0.93310308158106 18.998 > 93 97 F 0.33935818372712 0.42917825159084 0.31688755572723 18.998 > 49 98 F 0.83935818372712 0.42917825159084 0.31688755572723 18.998 > 49 99 F 0.33935818372712 0.42917825159084 0.81688755572723 18.998 > 49 100 F 0.83935818372712 0.42917825159084 0.81688755572723 18.998 > 49 101 F 0.05586720623265 0.27470457039917 0.31689691841894 18.998 > 53 102 F 0.55586720623265 0.27470457039917 0.31689691841894 18.998 > 53 103 F 0.05586720623265 0.27470457039917 0.81689691841894 18.998 > 53 104 F 0.55586720623265 0.27470457039917 0.81689691841894 18.998 > 53 105 F 0.16064181627288 0.57082174840916 0.18311244427277 18.998 > 57 106 F 0.66064181627288 0.57082174840916 0.18311244427277 18.998 > 57 107 F 0.16064181627288 0.57082174840916 0.68311244427277 18.998 > 57 108 F 0.66064181627288 0.57082174840916 0.68311244427277 18.998 > 57 109 F 0.04572565405702 0.42673181382278 0.05258869262703 18.998 > 61 110 F 0.54572565405702 0.42673181382278 0.05258869262703 18.998 > 61 111 F 0.04572565405702 0.42673181382278 0.55258869262703 18.998 > 61 112 F 0.54572565405702 0.42673181382278 0.55258869262703 18.998 > 61 113 F 0.45427434594298 0.42673181382278 0.19741130737297 18.998 > 65 114 F 0.95427434594298 0.42673181382278 0.19741130737297 18.998 > 65 115 F 0.45427434594298 0.42673181382278 0.69741130737297 18.998 > 65 116 F 0.95427434594298 0.42673181382278 0.69741130737297 18.998 > 65 117 F 0.04572565405702 0.57326818617722 0.30258869262703 18.998 > 69 118 F 0.54572565405702 0.57326818617722 0.30258869262703 18.998 > 69 119 F 0.04572565405702 0.57326818617722 0.80258869262703 18.998 > 69 120 F 0.54572565405702 0.57326818617722 0.80258869262703 18.998 > 69 121 F 0.05586720623265 0.72529542960083 0.06689691841894 18.998 > 73 122 F 0.55586720623265 0.72529542960083 0.06689691841894 18.998 > 73 123 F 0.05586720623265 0.72529542960083 0.56689691841894 18.998 > 73 124 F 0.55586720623265 0.72529542960083 0.56689691841894 18.998 > 73 125 F 0.45427434594298 0.57326818617722 0.44741130737297 18.998 > 77 126 F 0.95427434594298 0.57326818617722 0.44741130737297 18.998 > 77 127 F 0.45427434594298 0.57326818617722 0.94741130737297 18.998 > 77 128 F 0.95427434594298 0.57326818617722 0.94741130737297 18.998 > 77 129 F 0.44413279376735 0.72529542960083 0.18310308158106 18.998 > 81 130 F 0.94413279376735 0.72529542960083 0.18310308158106 18.998 > 81 131 F 0.44413279376735 0.72529542960083 0.68310308158106 18.998 > 81 132 F 0.94413279376735 0.72529542960083 0.68310308158106 18.998 > 81 133 F 0.33935818372712 0.57082174840916 0.06688755572723 18.998 > 85 134 F 0.83935818372712 0.57082174840916 0.06688755572723 18.998 > 85 135 F 0.33935818372712 0.57082174840916 0.56688755572723 18.998 > 85 136 F 0.83935818372712 0.57082174840916 0.56688755572723 18.998 > 85 137 F 0.16064181627288 0.42917825159084 0.43311244427277 18.998 > 89 138 F 0.66064181627288 0.42917825159084 0.43311244427277 18.998 > 89 139 F 0.16064181627288 0.42917825159084 0.93311244427277 18.998 > 89 140 F 0.66064181627288 0.42917825159084 0.93311244427277 18.998 > 89 141 F 0.44413279376735 0.27470457039917 0.43310308158106 18.998 > 93 142 F 0.94413279376735 0.27470457039917 0.43310308158106 18.998 > 93 143 F 0.44413279376735 0.27470457039917 0.93310308158106 18.998 > 93 144 F 0.94413279376735 0.27470457039917 0.93310308158106 18.998 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1774340 0.0000000 -0.0168324 0.0000000 2.1715052 0.0000000 -0.0168234 0.0000000 2.2007754 -------------------------- Born effective charges -------------------------- 1 K 1.2128699 0.0000000 0.1268899 0.0000000 1.2516856 0.0000000 0.1042659 0.0000000 1.1685691 2 K 1.2401963 0.0000000 -0.0498857 0.0000000 1.1988375 0.0000000 -0.0218357 0.0000000 1.1777266 3 K 1.2128699 0.0000000 0.1268899 0.0000000 1.2516856 0.0000000 0.1042659 0.0000000 1.1685691 4 K 1.2401963 0.0000000 -0.0498857 0.0000000 1.1988375 0.0000000 -0.0218357 0.0000000 1.1777266 5 Th 4.6704348 0.0000000 -0.2012392 0.0000000 4.5630035 0.0000000 -0.2124263 0.0000000 4.8437140 6 Th 4.6704348 0.0000000 -0.2012392 0.0000000 4.5630035 0.0000000 -0.2124263 0.0000000 4.8437140 7 F -1.7538978 0.0655907 -0.3598090 0.0268966 -0.7769217 0.0039630 -0.3694843 -0.0114013 -0.9478241 8 F -1.0144816 0.4093672 0.1836977 0.4470745 -1.5277822 -0.3018052 0.1770846 -0.3161602 -0.9431621 9 F -1.7538978 0.0655907 -0.3598090 0.0268966 -0.7769217 0.0039630 -0.3694843 -0.0114013 -0.9478241 10 F -0.7933711 0.2752627 0.2382289 0.2730686 -1.2020593 -0.3729258 0.2573977 -0.4169201 -1.7040187 11 F -0.7933711 -0.2752627 0.2382289 -0.2730686 -1.2020593 0.3729258 0.2573977 0.4169201 -1.7040187 12 F -0.7933711 -0.2752627 0.2382289 -0.2730686 -1.2020593 0.3729258 0.2573977 0.4169201 -1.7040187 13 F -1.0144816 -0.4093672 0.1836977 -0.4470745 -1.5277822 0.3018052 0.1770846 0.3161602 -0.9431621 14 F -0.7933711 0.2752627 0.2382289 0.2730686 -1.2020593 -0.3729258 0.2573977 -0.4169201 -1.7040187 15 F -1.0144816 0.4093672 0.1836977 0.4470745 -1.5277822 -0.3018052 0.1770846 -0.3161602 -0.9431621 16 F -1.7538978 -0.0655907 -0.3598090 -0.0268966 -0.7769217 -0.0039630 -0.3694843 0.0114013 -0.9478241 17 F -1.7538978 -0.0655907 -0.3598090 -0.0268966 -0.7769217 -0.0039630 -0.3694843 0.0114013 -0.9478241 18 F -1.0144816 -0.4093672 0.1836977 -0.4470745 -1.5277822 0.3018052 0.1770846 0.3161602 -0.9431621 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 5, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 33, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 49, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 53, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 61, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:39:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:39:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.673212915948158 -6.334478920000000 0.000000000000000 b 3.673212915948158 6.334478920000000 0.000000000000000 c -2.174985542113104 0.000000000000000 6.849602513371288 Atomic positions (fractional): 1 K 0.91081921550434 0.08918078449566 0.75000000000000 39.098 2 K 0.23783974114131 0.76216025885869 0.75000000000000 39.098 3 K 0.08918078449566 0.91081921550434 0.25000000000000 39.098 4 K 0.76216025885869 0.23783974114131 0.25000000000000 39.098 5 Th 0.58171955421128 0.41828044578872 0.75000000000000 232.038 6 Th 0.41828044578871 0.58171955421128 0.25000000000000 232.038 7 F 0.24953811586340 0.10789461904509 0.63377511145446 18.998 8 F 0.83702984206613 0.38643898286446 0.63379383683788 18.998 9 F 0.75046188413660 0.89210538095491 0.36622488854554 18.998 10 F 0.66471949429125 0.51818312193681 0.10517738525407 18.998 11 F 0.48181687806319 0.33528050570875 0.39482261474593 18.998 12 F 0.51818312193681 0.66471949429125 0.60517738525407 18.998 13 F 0.38643898286447 0.83702984206613 0.13379383683788 18.998 14 F 0.33528050570875 0.48181687806319 0.89482261474593 18.998 15 F 0.16297015793387 0.61356101713554 0.36620616316212 18.998 16 F 0.10789461904509 0.24953811586340 0.13377511145446 18.998 17 F 0.89210538095491 0.75046188413660 0.86622488854554 18.998 18 F 0.61356101713554 0.16297015793387 0.86620616316212 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.692851663792633 0.000000000000000 0.000000000000000 b 0.000000000000000 12.668957839999999 0.000000000000000 c -4.349971084226208 0.000000000000000 13.699205026742575 Atomic positions (fractional): 1 K 0.25000000000000 0.58918078449566 0.37500000000000 39.098 > 1 2 K 0.75000000000000 0.58918078449566 0.37500000000000 39.098 > 1 3 K 0.25000000000000 0.58918078449566 0.87500000000000 39.098 > 1 4 K 0.75000000000000 0.58918078449566 0.87500000000000 39.098 > 1 5 K 0.25000000000000 0.26216025885869 0.37500000000000 39.098 > 5 6 K 0.75000000000000 0.26216025885869 0.37500000000000 39.098 > 5 7 K 0.25000000000000 0.26216025885869 0.87500000000000 39.098 > 5 8 K 0.75000000000000 0.26216025885869 0.87500000000000 39.098 > 5 9 K 0.25000000000000 0.41081921550434 0.12500000000000 39.098 > 9 10 K 0.75000000000000 0.41081921550434 0.12500000000000 39.098 > 9 11 K 0.25000000000000 0.41081921550434 0.62500000000000 39.098 > 9 12 K 0.75000000000000 0.41081921550434 0.62500000000000 39.098 > 9 13 K 0.25000000000000 0.73783974114131 0.12500000000000 39.098 > 13 14 K 0.75000000000000 0.73783974114131 0.12500000000000 39.098 > 13 15 K 0.25000000000000 0.73783974114131 0.62500000000000 39.098 > 13 16 K 0.75000000000000 0.73783974114131 0.62500000000000 39.098 > 13 17 K 0.00000000000000 0.08918078449566 0.37500000000000 39.098 > 1 18 K 0.50000000000000 0.08918078449566 0.37500000000000 39.098 > 1 19 K 0.00000000000000 0.08918078449566 0.87500000000000 39.098 > 1 20 K 0.50000000000000 0.08918078449566 0.87500000000000 39.098 > 1 21 K 0.00000000000000 0.76216025885869 0.37500000000000 39.098 > 5 22 K 0.50000000000000 0.76216025885869 0.37500000000000 39.098 > 5 23 K 0.00000000000000 0.76216025885869 0.87500000000000 39.098 > 5 24 K 0.50000000000000 0.76216025885869 0.87500000000000 39.098 > 5 25 K 0.00000000000000 0.91081921550434 0.12500000000000 39.098 > 9 26 K 0.50000000000000 0.91081921550434 0.12500000000000 39.098 > 9 27 K 0.00000000000000 0.91081921550434 0.62500000000000 39.098 > 9 28 K 0.50000000000000 0.91081921550434 0.62500000000000 39.098 > 9 29 K 0.00000000000000 0.23783974114131 0.12500000000000 39.098 > 13 30 K 0.50000000000000 0.23783974114131 0.12500000000000 39.098 > 13 31 K 0.00000000000000 0.23783974114131 0.62500000000000 39.098 > 13 32 K 0.50000000000000 0.23783974114131 0.62500000000000 39.098 > 13 33 Th 0.25000000000000 0.91828044578872 0.37500000000000 232.038 > 33 34 Th 0.75000000000000 0.91828044578872 0.37500000000000 232.038 > 33 35 Th 0.25000000000000 0.91828044578872 0.87500000000000 232.038 > 33 36 Th 0.75000000000000 0.91828044578872 0.87500000000000 232.038 > 33 37 Th 0.25000000000000 0.08171955421129 0.12500000000000 232.038 > 37 38 Th 0.75000000000000 0.08171955421129 0.12500000000000 232.038 > 37 39 Th 0.25000000000000 0.08171955421129 0.62500000000000 232.038 > 37 40 Th 0.75000000000000 0.08171955421129 0.62500000000000 232.038 > 37 41 Th 0.00000000000000 0.41828044578871 0.37500000000000 232.038 > 33 42 Th 0.50000000000000 0.41828044578871 0.37500000000000 232.038 > 33 43 Th 0.00000000000000 0.41828044578871 0.87500000000000 232.038 > 33 44 Th 0.50000000000000 0.41828044578871 0.87500000000000 232.038 > 33 45 Th 0.00000000000000 0.58171955421128 0.12500000000000 232.038 > 37 46 Th 0.50000000000000 0.58171955421128 0.12500000000000 232.038 > 37 47 Th 0.00000000000000 0.58171955421128 0.62500000000000 232.038 > 37 48 Th 0.50000000000000 0.58171955421128 0.62500000000000 232.038 > 37 49 F 0.08935818372712 0.92917825159084 0.31688755572723 18.998 > 49 50 F 0.58935818372712 0.92917825159084 0.31688755572723 18.998 > 49 51 F 0.08935818372712 0.92917825159084 0.81688755572723 18.998 > 49 52 F 0.58935818372712 0.92917825159084 0.81688755572723 18.998 > 49 53 F 0.30586720623265 0.77470457039917 0.31689691841894 18.998 > 53 54 F 0.80586720623265 0.77470457039917 0.31689691841894 18.998 > 53 55 F 0.30586720623265 0.77470457039917 0.81689691841894 18.998 > 53 56 F 0.80586720623265 0.77470457039917 0.81689691841894 18.998 > 53 57 F 0.41064181627288 0.07082174840916 0.18311244427277 18.998 > 57 58 F 0.91064181627288 0.07082174840916 0.18311244427277 18.998 > 57 59 F 0.41064181627288 0.07082174840916 0.68311244427277 18.998 > 57 60 F 0.91064181627288 0.07082174840916 0.68311244427277 18.998 > 57 61 F 0.29572565405702 0.92673181382278 0.05258869262703 18.998 > 61 62 F 0.79572565405702 0.92673181382278 0.05258869262703 18.998 > 61 63 F 0.29572565405702 0.92673181382278 0.55258869262703 18.998 > 61 64 F 0.79572565405702 0.92673181382278 0.55258869262703 18.998 > 61 65 F 0.20427434594298 0.92673181382278 0.19741130737297 18.998 > 65 66 F 0.70427434594298 0.92673181382278 0.19741130737297 18.998 > 65 67 F 0.20427434594298 0.92673181382278 0.69741130737297 18.998 > 65 68 F 0.70427434594298 0.92673181382278 0.69741130737297 18.998 > 65 69 F 0.29572565405702 0.07326818617722 0.30258869262703 18.998 > 69 70 F 0.79572565405702 0.07326818617722 0.30258869262703 18.998 > 69 71 F 0.29572565405702 0.07326818617722 0.80258869262703 18.998 > 69 72 F 0.79572565405702 0.07326818617722 0.80258869262703 18.998 > 69 73 F 0.30586720623265 0.22529542960083 0.06689691841894 18.998 > 73 74 F 0.80586720623265 0.22529542960083 0.06689691841894 18.998 > 73 75 F 0.30586720623265 0.22529542960083 0.56689691841894 18.998 > 73 76 F 0.80586720623265 0.22529542960083 0.56689691841894 18.998 > 73 77 F 0.20427434594298 0.07326818617722 0.44741130737297 18.998 > 77 78 F 0.70427434594298 0.07326818617722 0.44741130737297 18.998 > 77 79 F 0.20427434594298 0.07326818617722 0.94741130737297 18.998 > 77 80 F 0.70427434594298 0.07326818617722 0.94741130737297 18.998 > 77 81 F 0.19413279376735 0.22529542960083 0.18310308158106 18.998 > 81 82 F 0.69413279376735 0.22529542960083 0.18310308158106 18.998 > 81 83 F 0.19413279376735 0.22529542960083 0.68310308158106 18.998 > 81 84 F 0.69413279376735 0.22529542960083 0.68310308158106 18.998 > 81 85 F 0.08935818372712 0.07082174840916 0.06688755572723 18.998 > 85 86 F 0.58935818372712 0.07082174840916 0.06688755572723 18.998 > 85 87 F 0.08935818372712 0.07082174840916 0.56688755572723 18.998 > 85 88 F 0.58935818372712 0.07082174840916 0.56688755572723 18.998 > 85 89 F 0.41064181627288 0.92917825159084 0.43311244427277 18.998 > 89 90 F 0.91064181627288 0.92917825159084 0.43311244427277 18.998 > 89 91 F 0.41064181627288 0.92917825159084 0.93311244427277 18.998 > 89 92 F 0.91064181627288 0.92917825159084 0.93311244427277 18.998 > 89 93 F 0.19413279376735 0.77470457039917 0.43310308158106 18.998 > 93 94 F 0.69413279376735 0.77470457039917 0.43310308158106 18.998 > 93 95 F 0.19413279376735 0.77470457039917 0.93310308158106 18.998 > 93 96 F 0.69413279376735 0.77470457039917 0.93310308158106 18.998 > 93 97 F 0.33935818372712 0.42917825159084 0.31688755572723 18.998 > 49 98 F 0.83935818372712 0.42917825159084 0.31688755572723 18.998 > 49 99 F 0.33935818372712 0.42917825159084 0.81688755572723 18.998 > 49 100 F 0.83935818372712 0.42917825159084 0.81688755572723 18.998 > 49 101 F 0.05586720623265 0.27470457039917 0.31689691841894 18.998 > 53 102 F 0.55586720623265 0.27470457039917 0.31689691841894 18.998 > 53 103 F 0.05586720623265 0.27470457039917 0.81689691841894 18.998 > 53 104 F 0.55586720623265 0.27470457039917 0.81689691841894 18.998 > 53 105 F 0.16064181627288 0.57082174840916 0.18311244427277 18.998 > 57 106 F 0.66064181627288 0.57082174840916 0.18311244427277 18.998 > 57 107 F 0.16064181627288 0.57082174840916 0.68311244427277 18.998 > 57 108 F 0.66064181627288 0.57082174840916 0.68311244427277 18.998 > 57 109 F 0.04572565405702 0.42673181382278 0.05258869262703 18.998 > 61 110 F 0.54572565405702 0.42673181382278 0.05258869262703 18.998 > 61 111 F 0.04572565405702 0.42673181382278 0.55258869262703 18.998 > 61 112 F 0.54572565405702 0.42673181382278 0.55258869262703 18.998 > 61 113 F 0.45427434594298 0.42673181382278 0.19741130737297 18.998 > 65 114 F 0.95427434594298 0.42673181382278 0.19741130737297 18.998 > 65 115 F 0.45427434594298 0.42673181382278 0.69741130737297 18.998 > 65 116 F 0.95427434594298 0.42673181382278 0.69741130737297 18.998 > 65 117 F 0.04572565405702 0.57326818617722 0.30258869262703 18.998 > 69 118 F 0.54572565405702 0.57326818617722 0.30258869262703 18.998 > 69 119 F 0.04572565405702 0.57326818617722 0.80258869262703 18.998 > 69 120 F 0.54572565405702 0.57326818617722 0.80258869262703 18.998 > 69 121 F 0.05586720623265 0.72529542960083 0.06689691841894 18.998 > 73 122 F 0.55586720623265 0.72529542960083 0.06689691841894 18.998 > 73 123 F 0.05586720623265 0.72529542960083 0.56689691841894 18.998 > 73 124 F 0.55586720623265 0.72529542960083 0.56689691841894 18.998 > 73 125 F 0.45427434594298 0.57326818617722 0.44741130737297 18.998 > 77 126 F 0.95427434594298 0.57326818617722 0.44741130737297 18.998 > 77 127 F 0.45427434594298 0.57326818617722 0.94741130737297 18.998 > 77 128 F 0.95427434594298 0.57326818617722 0.94741130737297 18.998 > 77 129 F 0.44413279376735 0.72529542960083 0.18310308158106 18.998 > 81 130 F 0.94413279376735 0.72529542960083 0.18310308158106 18.998 > 81 131 F 0.44413279376735 0.72529542960083 0.68310308158106 18.998 > 81 132 F 0.94413279376735 0.72529542960083 0.68310308158106 18.998 > 81 133 F 0.33935818372712 0.57082174840916 0.06688755572723 18.998 > 85 134 F 0.83935818372712 0.57082174840916 0.06688755572723 18.998 > 85 135 F 0.33935818372712 0.57082174840916 0.56688755572723 18.998 > 85 136 F 0.83935818372712 0.57082174840916 0.56688755572723 18.998 > 85 137 F 0.16064181627288 0.42917825159084 0.43311244427277 18.998 > 89 138 F 0.66064181627288 0.42917825159084 0.43311244427277 18.998 > 89 139 F 0.16064181627288 0.42917825159084 0.93311244427277 18.998 > 89 140 F 0.66064181627288 0.42917825159084 0.93311244427277 18.998 > 89 141 F 0.44413279376735 0.27470457039917 0.43310308158106 18.998 > 93 142 F 0.94413279376735 0.27470457039917 0.43310308158106 18.998 > 93 143 F 0.44413279376735 0.27470457039917 0.93310308158106 18.998 > 93 144 F 0.94413279376735 0.27470457039917 0.93310308158106 18.998 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1774340 0.0000000 -0.0168324 0.0000000 2.1715052 0.0000000 -0.0168234 0.0000000 2.2007754 -------------------------- Born effective charges -------------------------- 1 K 1.2128699 0.0000000 0.1268899 0.0000000 1.2516856 0.0000000 0.1042659 0.0000000 1.1685691 2 K 1.2401963 0.0000000 -0.0498857 0.0000000 1.1988375 0.0000000 -0.0218357 0.0000000 1.1777266 3 K 1.2128699 0.0000000 0.1268899 0.0000000 1.2516856 0.0000000 0.1042659 0.0000000 1.1685691 4 K 1.2401963 0.0000000 -0.0498857 0.0000000 1.1988375 0.0000000 -0.0218357 0.0000000 1.1777266 5 Th 4.6704348 0.0000000 -0.2012392 0.0000000 4.5630035 0.0000000 -0.2124263 0.0000000 4.8437140 6 Th 4.6704348 0.0000000 -0.2012392 0.0000000 4.5630035 0.0000000 -0.2124263 0.0000000 4.8437140 7 F -1.7538978 0.0655907 -0.3598090 0.0268966 -0.7769217 0.0039630 -0.3694843 -0.0114013 -0.9478241 8 F -1.0144816 0.4093672 0.1836977 0.4470745 -1.5277822 -0.3018052 0.1770846 -0.3161602 -0.9431621 9 F -1.7538978 0.0655907 -0.3598090 0.0268966 -0.7769217 0.0039630 -0.3694843 -0.0114013 -0.9478241 10 F -0.7933711 0.2752627 0.2382289 0.2730686 -1.2020593 -0.3729258 0.2573977 -0.4169201 -1.7040187 11 F -0.7933711 -0.2752627 0.2382289 -0.2730686 -1.2020593 0.3729258 0.2573977 0.4169201 -1.7040187 12 F -0.7933711 -0.2752627 0.2382289 -0.2730686 -1.2020593 0.3729258 0.2573977 0.4169201 -1.7040187 13 F -1.0144816 -0.4093672 0.1836977 -0.4470745 -1.5277822 0.3018052 0.1770846 0.3161602 -0.9431621 14 F -0.7933711 0.2752627 0.2382289 0.2730686 -1.2020593 -0.3729258 0.2573977 -0.4169201 -1.7040187 15 F -1.0144816 0.4093672 0.1836977 0.4470745 -1.5277822 -0.3018052 0.1770846 -0.3161602 -0.9431621 16 F -1.7538978 -0.0655907 -0.3598090 -0.0268966 -0.7769217 -0.0039630 -0.3694843 0.0114013 -0.9478241 17 F -1.7538978 -0.0655907 -0.3598090 -0.0268966 -0.7769217 -0.0039630 -0.3694843 0.0114013 -0.9478241 18 F -1.0144816 -0.4093672 0.1836977 -0.4470745 -1.5277822 0.3018052 0.1770846 0.3161602 -0.9431621 ---------------------------------------------------------------------------- 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 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 7 ] 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: 0.61, Number of G-points: 311, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency 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 1.846 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.295 ( 0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.637 ( 0.000 0.000 0.000) 0.000 6.827 ( 0.000 0.000 0.000) 0.000 6.853 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 9.234 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 10.063 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 0.000 0.000) 0.000 10.348 ( 0.000 0.000 0.000) 0.000 10.923 ( 0.000 0.000 0.000) 0.000 10.932 ( 0.000 0.000 0.000) 0.000 10.981 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.279 ( 0.000 0.000 0.000) 0.000 14.187 ( 0.000 0.000 0.000) 0.000 14.405 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 14.897 -12.265 3.589) 19.628 0.445 ( 18.661 -9.509 3.918) 21.307 0.704 ( 27.991 -15.477 8.170) 33.012 1.931 ( 8.613 -0.775 0.108) 8.649 2.324 ( 1.971 2.470 -0.841) 3.270 2.364 ( 3.823 -3.154 -0.486) 4.980 2.887 ( 0.566 9.823 1.139) 9.905 2.975 ( -3.745 0.567 -2.112) 4.337 3.145 ( -0.746 -6.729 0.732) 6.809 3.392 ( -6.294 3.735 0.936) 7.378 3.409 ( -5.854 2.777 6.587) 9.240 3.545 ( 1.791 2.270 -4.981) 5.759 3.598 ( -0.767 -1.450 -4.570) 4.855 3.844 ( -0.689 -1.579 0.603) 1.825 3.981 ( -3.181 -0.295 2.424) 4.010 4.068 ( 3.241 1.781 5.919) 6.979 4.170 ( 3.769 3.467 -2.142) 5.551 4.252 ( -3.022 -1.745 3.331) 4.824 4.429 ( -0.805 5.295 -0.535) 5.383 4.586 ( -2.579 -2.477 0.359) 3.594 4.676 ( -1.597 -1.031 -0.694) 2.023 4.821 ( 11.206 14.182 -6.132) 19.087 5.052 ( -1.539 0.482 -10.387) 10.511 5.137 ( -5.942 -6.080 -2.120) 8.762 5.306 ( 0.717 0.667 0.836) 1.288 5.329 ( -1.625 -1.759 5.017) 5.559 5.374 ( 2.523 -1.060 -3.399) 4.364 5.715 ( -4.668 1.616 16.589) 17.309 6.095 ( -1.631 -2.700 -0.248) 3.164 6.186 ( 11.822 6.908 -14.894) 20.231 6.442 ( -3.616 1.327 -1.183) 4.029 6.679 ( -10.354 -10.566 -4.042) 15.336 6.847 ( 2.029 -1.175 -2.101) 3.148 7.073 ( -2.171 6.851 8.688) 11.275 7.192 ( -0.881 -0.491 0.945) 1.383 7.387 ( 2.022 -3.917 1.411) 4.628 7.408 ( 1.323 -0.775 3.220) 3.566 7.753 ( -5.730 2.915 3.122) 7.147 7.952 ( -3.727 -13.601 -4.079) 14.681 8.138 ( -0.876 1.671 -1.171) 2.220 8.387 ( -0.117 -1.134 -0.555) 1.268 8.704 ( 1.631 -0.975 -2.814) 3.395 9.235 ( 0.064 0.090 0.425) 0.439 9.766 ( -3.942 -13.569 -1.246) 14.185 10.181 ( -2.157 -0.867 12.153) 12.373 10.284 ( 0.937 0.260 1.403) 1.707 10.366 ( 0.946 -1.547 0.704) 1.945 10.803 ( -9.612 -4.007 0.224) 10.416 11.011 ( 4.882 5.352 -2.188) 7.568 11.255 ( 0.418 0.869 0.762) 1.229 11.319 ( 3.631 -5.995 0.591) 7.034 13.724 ( 15.578 27.856 -11.103) 33.792 14.206 ( 1.444 -1.021 -0.426) 1.819 14.443 ( -1.734 -4.171 -1.720) 4.834 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 13.142 -9.859 3.063) 16.712 0.854 ( 15.997 -9.164 3.243) 18.719 1.311 ( 21.492 -12.623 5.514) 25.528 2.108 ( 10.602 0.731 -0.236) 10.630 2.298 ( 0.188 6.448 -0.628) 6.482 2.478 ( 4.293 -4.985 -1.975) 6.869 2.828 ( 2.405 8.872 1.864) 9.380 2.886 ( -4.559 -2.801 -2.757) 6.019 3.125 ( -7.047 1.052 2.763) 7.642 3.305 ( -4.771 -1.459 7.334) 8.870 3.329 ( -0.131 2.882 1.229) 3.136 3.487 ( -3.673 -3.594 -6.053) 7.941 3.591 ( 1.174 4.958 -0.357) 5.108 3.847 ( -1.342 -0.538 -1.971) 2.445 3.943 ( -3.391 -0.918 5.425) 6.463 4.023 ( -2.910 8.945 0.595) 9.426 4.133 ( 0.778 2.913 1.540) 3.386 4.343 ( -0.808 -1.242 -2.143) 2.605 4.400 ( 6.728 -1.820 3.326) 7.723 4.591 ( -0.433 -1.596 0.017) 1.653 4.644 ( -3.386 -2.183 -0.767) 4.101 4.812 ( 2.469 5.463 -3.688) 7.038 4.933 ( -3.672 1.567 -11.029) 11.730 5.066 ( -5.522 0.247 1.012) 5.620 5.307 ( -0.503 2.657 5.439) 6.074 5.355 ( 0.533 -1.547 0.271) 1.659 5.401 ( 0.562 -1.596 -2.067) 2.671 5.720 ( 0.640 -0.030 1.536) 1.664 6.102 ( -2.135 -4.450 0.475) 4.959 6.231 ( 6.340 3.336 -9.858) 12.187 6.343 ( -4.224 2.869 0.623) 5.144 6.575 ( -8.138 -5.089 -0.342) 9.605 6.881 ( 1.672 -1.459 -3.340) 4.009 7.025 ( 0.118 5.882 3.289) 6.740 7.187 ( 0.398 1.590 2.457) 2.953 7.451 ( 1.574 2.074 2.727) 3.770 7.468 ( 2.139 -2.773 0.486) 3.536 7.677 ( -3.349 -0.458 6.026) 6.909 7.969 ( -3.453 -6.874 -4.627) 8.976 8.087 ( -1.376 2.485 -1.969) 3.456 8.395 ( 0.586 -0.237 -0.646) 0.904 8.734 ( 1.472 -1.490 -0.954) 2.302 9.238 ( 0.032 0.067 0.568) 0.573 9.857 ( 1.442 -8.255 3.044) 8.915 10.229 ( 0.807 -1.653 4.099) 4.492 10.303 ( 1.261 1.198 1.015) 2.014 10.412 ( 2.281 -0.802 0.721) 2.523 10.693 ( -7.828 -3.164 1.262) 8.538 10.963 ( -1.424 4.517 -6.243) 7.836 11.255 ( -0.830 -0.693 1.729) 2.039 11.497 ( 8.168 -5.499 2.268) 10.105 13.632 ( 3.949 14.884 -5.242) 16.267 14.240 ( 1.444 -1.042 -0.586) 1.875 14.451 ( -0.015 -1.967 -0.906) 2.166 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 8.383 -5.640 1.941) 10.288 1.188 ( 11.026 -7.401 2.283) 13.475 1.705 ( 10.558 -7.084 1.355) 12.786 2.166 ( -1.792 6.354 -1.921) 6.876 2.267 ( 4.277 2.352 0.776) 4.943 2.550 ( 0.954 -1.257 -1.094) 1.921 2.794 ( 1.659 1.495 -2.020) 3.011 2.897 ( 2.530 0.804 2.667) 3.763 3.027 ( -4.607 -1.732 1.520) 5.151 3.246 ( -3.365 1.908 8.030) 8.913 3.379 ( 0.461 1.115 -4.260) 4.427 3.449 ( -1.879 -7.145 0.386) 7.399 3.552 ( 0.929 2.805 0.282) 2.969 3.745 ( -4.980 6.829 -0.744) 8.484 3.896 ( -0.100 4.076 -0.222) 4.083 3.975 ( -1.614 -1.080 3.250) 3.786 4.175 ( 2.811 -2.390 2.474) 4.442 4.290 ( -1.407 0.758 -4.837) 5.094 4.514 ( -1.035 5.958 0.192) 6.051 4.619 ( 5.529 -3.958 2.287) 7.175 4.636 ( -1.334 -6.222 -0.816) 6.415 4.751 ( -3.174 0.871 -4.513) 5.586 4.832 ( 0.092 2.756 -3.612) 4.545 4.953 ( -5.975 3.045 -0.370) 6.717 5.302 ( -0.622 2.276 5.727) 6.194 5.373 ( 1.063 -0.591 -2.833) 3.083 5.405 ( -0.654 -1.188 -0.449) 1.428 5.746 ( 1.569 -0.681 -1.486) 2.266 6.107 ( -2.307 -3.546 0.883) 4.322 6.181 ( -2.198 3.263 -3.791) 5.464 6.318 ( 2.589 1.253 -1.402) 3.200 6.518 ( -3.612 -2.897 0.954) 4.727 6.886 ( 0.103 -0.010 -2.376) 2.378 6.996 ( 0.154 2.616 0.706) 2.713 7.218 ( 2.729 -0.052 2.254) 3.540 7.409 ( -1.937 5.123 0.151) 5.479 7.528 ( 0.950 -2.541 0.734) 2.810 7.726 ( 1.741 -2.188 8.282) 8.741 7.924 ( -3.803 -2.770 -6.250) 7.823 8.034 ( -1.024 1.768 -1.279) 2.410 8.402 ( 0.366 -0.189 -0.475) 0.629 8.765 ( 0.971 -1.024 -0.269) 1.436 9.240 ( -0.042 0.022 0.341) 0.344 10.001 ( 3.777 -6.488 4.489) 8.747 10.269 ( -0.155 -1.841 1.228) 2.219 10.313 ( 1.009 2.003 0.510) 2.300 10.457 ( 3.793 2.019 -1.086) 4.432 10.612 ( -6.346 -3.036 1.729) 7.244 10.843 ( -3.109 2.990 -5.798) 7.227 11.257 ( -0.705 -0.588 1.354) 1.636 11.685 ( 5.984 -3.874 1.962) 7.394 13.528 ( 0.300 7.975 -2.558) 8.380 14.264 ( 0.801 -0.516 -0.399) 1.033 14.467 ( 0.421 -1.067 -0.451) 1.233 ======================= Grid point 4 (5/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 0.000 -0.000 0.000) 0.000 1.342 ( 0.000 -0.000 0.000) 0.000 1.829 ( 0.000 -0.000 0.000) 0.000 2.088 ( 0.000 -0.000 0.000) 0.000 2.293 ( 0.000 -0.000 0.000) 0.000 2.550 ( 0.000 -0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 -0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.272 ( -0.000 0.000 -0.000) 0.000 3.284 ( 0.000 -0.000 0.000) 0.000 3.524 ( 0.000 -0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 -0.000 -0.000) 0.000 3.863 ( 0.000 -0.000 0.000) 0.000 3.974 ( 0.000 -0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 -0.000 -0.000) 0.000 4.427 ( 0.000 -0.000 0.000) 0.000 4.657 ( 0.000 -0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 -0.000 0.000) 0.000 4.813 ( -0.000 0.000 0.000) 0.000 4.815 ( 0.000 -0.000 -0.000) 0.000 5.302 ( 0.000 -0.000 0.000) 0.000 5.376 ( 0.000 -0.000 0.000) 0.000 5.403 ( 0.000 -0.000 0.000) 0.000 5.760 ( 0.000 -0.000 -0.000) 0.000 6.114 ( -0.000 -0.000 0.000) 0.000 6.121 ( 0.000 0.000 -0.000) 0.000 6.334 ( 0.000 -0.000 0.000) 0.000 6.507 ( 0.000 -0.000 0.000) 0.000 6.877 ( 0.000 -0.000 0.000) 0.000 6.987 ( 0.000 -0.000 0.000) 0.000 7.277 ( 0.000 -0.000 0.000) 0.000 7.337 ( 0.000 -0.000 0.000) 0.000 7.551 ( 0.000 -0.000 0.000) 0.000 7.820 ( 0.000 -0.000 0.000) 0.000 7.844 ( 0.000 -0.000 0.000) 0.000 8.012 ( 0.000 -0.000 0.000) 0.000 8.405 ( 0.000 -0.000 0.000) 0.000 8.779 ( 0.000 -0.000 0.000) 0.000 9.240 ( 0.000 -0.000 0.000) 0.000 10.102 ( 0.000 -0.000 0.000) 0.000 10.275 ( 0.000 -0.000 0.000) 0.000 10.304 ( 0.000 -0.000 0.000) 0.000 10.484 ( 0.000 -0.000 0.000) 0.000 10.567 ( 0.000 -0.000 0.000) 0.000 10.780 ( 0.000 -0.000 0.000) 0.000 11.257 ( 0.000 -0.000 0.000) 0.000 11.766 ( 0.000 -0.000 0.000) 0.000 13.480 ( 0.000 -0.000 0.000) 0.000 14.273 ( 0.000 -0.000 0.000) 0.000 14.475 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/129) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 17.098 0.000 3.769) 17.509 0.756 ( 19.049 0.000 2.002) 19.154 1.178 ( 25.675 0.000 8.770) 27.131 2.119 ( 12.340 0.000 0.125) 12.341 2.396 ( 5.569 0.000 -2.201) 5.988 2.396 ( 1.393 0.000 -1.426) 1.994 2.842 ( -7.725 -0.000 -4.627) 9.005 2.958 ( 0.106 0.000 2.017) 2.020 3.100 ( -0.701 -0.000 2.138) 2.250 3.280 ( -8.319 -0.000 5.684) 10.075 3.369 ( -5.396 -0.000 6.233) 8.244 3.450 ( -5.438 -0.000 -7.464) 9.235 3.656 ( 7.009 0.000 -4.300) 8.223 3.829 ( -2.921 -0.000 3.655) 4.679 3.929 ( -3.727 -0.000 2.512) 4.494 4.194 ( -2.519 -0.000 3.634) 4.421 4.212 ( -0.191 -0.000 1.102) 1.118 4.212 ( 5.847 0.000 0.167) 5.849 4.457 ( -6.866 -0.000 0.549) 6.888 4.483 ( 2.516 0.000 -0.772) 2.632 4.635 ( -1.278 -0.000 -2.413) 2.731 4.871 ( -5.625 -0.000 -6.888) 8.893 4.980 ( 0.787 0.000 -6.166) 6.216 5.050 ( -2.926 -0.000 -0.571) 2.982 5.334 ( 1.958 0.000 1.282) 2.340 5.339 ( -0.203 -0.000 2.886) 2.893 5.383 ( 1.076 0.000 -3.631) 3.787 5.725 ( -2.178 -0.000 7.623) 7.928 6.058 ( -0.979 -0.000 0.385) 1.052 6.280 ( 3.866 0.000 -12.321) 12.914 6.434 ( 1.962 0.000 -2.548) 3.216 6.452 ( -9.678 -0.000 3.703) 10.362 6.855 ( 1.268 0.000 -2.755) 3.033 7.177 ( 0.869 0.000 5.297) 5.368 7.182 ( -0.472 -0.000 -2.892) 2.931 7.341 ( -3.050 -0.000 11.865) 12.250 7.463 ( 2.849 0.000 4.517) 5.341 7.742 ( -3.266 -0.000 0.844) 3.373 7.849 ( 1.091 0.000 -4.471) 4.602 8.114 ( -1.737 -0.000 -2.061) 2.695 8.397 ( 1.612 0.000 -1.778) 2.400 8.717 ( 1.959 0.000 -1.622) 2.543 9.241 ( -0.066 -0.000 0.870) 0.872 9.759 ( 4.526 0.000 3.962) 6.015 10.210 ( 0.355 0.000 4.514) 4.528 10.321 ( 1.592 0.000 2.181) 2.700 10.398 ( 3.473 0.000 0.931) 3.596 10.659 ( -6.849 -0.000 1.491) 7.009 11.032 ( -0.719 -0.000 -6.594) 6.633 11.189 ( -4.681 -0.000 -2.051) 5.111 11.483 ( 11.858 0.000 5.644) 13.133 13.811 ( -3.679 -0.000 -10.241) 10.882 14.229 ( 1.962 0.000 -0.622) 2.058 14.420 ( 1.183 0.000 -0.768) 1.410 ======================= Grid point 11 (7/129) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 14.244 -3.103 2.997) 14.883 1.072 ( 14.838 -3.372 0.150) 15.217 1.574 ( 12.485 -4.162 4.953) 14.062 2.269 ( 2.605 3.255 -1.648) 4.483 2.361 ( 2.392 5.458 -0.426) 5.974 2.501 ( 4.830 -2.992 -2.279) 6.121 2.725 ( -4.031 -4.559 -5.080) 7.927 2.938 ( -2.263 0.451 1.495) 2.749 3.066 ( -2.497 5.556 3.992) 7.283 3.222 ( -5.948 -4.249 3.370) 8.049 3.330 ( -3.747 -2.891 3.564) 5.924 3.374 ( 1.758 -0.444 -0.747) 1.961 3.681 ( 0.487 7.576 -0.677) 7.622 3.804 ( -1.588 -2.202 -0.545) 2.769 3.913 ( -0.173 -1.917 2.799) 3.397 4.102 ( -1.099 12.878 0.938) 12.959 4.177 ( -0.467 1.974 3.371) 3.934 4.300 ( -1.064 -1.345 -2.724) 3.219 4.402 ( -3.381 -10.600 -0.061) 11.126 4.561 ( 2.475 -2.294 -1.930) 3.888 4.616 ( 2.473 1.291 1.048) 2.980 4.732 ( -6.242 -1.203 -6.232) 8.902 4.929 ( -0.007 4.748 -3.124) 5.684 4.992 ( -3.536 0.106 -2.317) 4.229 5.333 ( -1.481 0.683 0.970) 1.897 5.371 ( 0.785 0.299 -0.624) 1.046 5.385 ( 0.717 -0.615 2.494) 2.667 5.735 ( -0.055 -0.370 2.405) 2.434 6.059 ( -0.329 -1.120 1.335) 1.773 6.246 ( -1.587 2.955 -3.228) 4.655 6.321 ( -4.768 -1.280 1.293) 5.103 6.491 ( 4.776 0.094 -4.386) 6.485 6.869 ( 1.301 -0.997 -3.215) 3.609 7.087 ( -2.539 5.619 -1.577) 6.364 7.216 ( 0.242 -0.603 2.657) 2.735 7.398 ( -3.721 -6.498 10.555) 12.942 7.500 ( -1.654 1.632 2.265) 3.245 7.724 ( 3.440 1.997 5.095) 6.464 7.856 ( -0.591 -3.532 -5.650) 6.689 8.065 ( -1.696 0.989 -2.591) 3.251 8.409 ( 1.409 0.519 -2.123) 2.600 8.749 ( 2.039 -0.494 -0.736) 2.223 9.242 ( -0.105 0.119 0.567) 0.588 9.895 ( 5.832 -3.327 5.469) 8.660 10.237 ( 0.346 -1.017 1.704) 2.014 10.351 ( 1.405 1.318 1.478) 2.428 10.484 ( 5.672 0.657 0.447) 5.728 10.568 ( -5.737 -1.291 2.031) 6.221 10.932 ( -2.717 5.722 -6.779) 9.278 11.132 ( -4.898 -8.377 -3.854) 10.441 11.711 ( 11.713 2.721 6.834) 13.831 13.648 ( -6.774 3.518 -6.522) 10.040 14.257 ( 1.499 -0.203 -0.923) 1.772 14.444 ( 1.365 -0.899 -0.653) 1.760 ======================= Grid point 12 (8/129) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 7.656 1.358 0.189) 7.778 1.310 ( 8.162 -2.808 -0.142) 8.632 1.732 ( -0.565 -6.777 0.378) 6.811 2.156 ( -5.040 4.618 -0.569) 6.859 2.349 ( 0.278 5.703 -0.633) 5.745 2.569 ( 2.293 0.870 0.147) 2.457 2.727 ( -2.569 -6.778 -3.154) 7.905 2.913 ( -2.418 -6.218 -0.507) 6.690 3.010 ( -0.104 4.858 -0.991) 4.959 3.200 ( -2.329 -5.310 3.664) 6.859 3.291 ( -2.190 0.091 -1.544) 2.681 3.475 ( 3.601 -0.539 5.064) 6.237 3.609 ( 0.656 4.403 -0.750) 4.515 3.768 ( -1.042 5.581 1.823) 5.963 3.956 ( -0.395 -1.159 0.188) 1.239 3.984 ( 1.701 10.501 0.074) 10.638 4.188 ( 0.951 -4.073 0.062) 4.183 4.255 ( -1.343 0.669 -1.412) 2.060 4.414 ( -5.785 -3.845 -0.552) 6.968 4.593 ( 1.169 -4.796 1.672) 5.212 4.626 ( -4.710 -4.827 -2.688) 7.260 4.747 ( 7.990 0.255 0.716) 8.026 4.871 ( -0.134 3.898 -1.577) 4.207 4.901 ( -2.590 3.740 -3.629) 5.819 5.293 ( -1.958 -0.797 -3.900) 4.436 5.378 ( 0.008 0.061 2.076) 2.076 5.416 ( 0.588 1.208 4.517) 4.712 5.752 ( -0.531 -0.770 3.010) 3.152 6.082 ( 0.449 -0.825 3.667) 3.785 6.172 ( -0.957 2.692 -0.128) 2.860 6.304 ( -1.503 -2.550 -0.307) 2.976 6.545 ( 6.299 3.102 -4.931) 8.580 6.874 ( 0.336 -0.337 -2.606) 2.649 6.998 ( -2.571 1.095 -1.429) 3.138 7.248 ( 0.532 -1.832 2.665) 3.277 7.368 ( -6.794 1.627 3.756) 7.932 7.493 ( -1.918 -4.460 4.228) 6.438 7.810 ( 0.452 -0.689 -3.262) 3.365 7.854 ( 3.728 0.429 4.052) 5.523 8.021 ( -0.482 0.780 -2.290) 2.467 8.415 ( 1.287 0.745 -1.789) 2.326 8.780 ( 1.399 0.086 -0.368) 1.449 9.242 ( 0.010 0.123 0.157) 0.200 10.055 ( 4.677 -3.284 4.602) 7.337 10.263 ( 0.767 -0.993 0.862) 1.523 10.347 ( 0.104 3.063 -0.748) 3.154 10.478 ( -4.809 -0.256 1.583) 5.069 10.594 ( 6.276 1.576 -0.477) 6.488 10.808 ( -2.095 3.519 -1.600) 4.397 11.129 ( -3.398 -10.122 -5.853) 12.176 11.872 ( 8.134 7.398 5.836) 12.448 13.470 ( -8.424 -0.864 -4.199) 9.452 14.272 ( 0.751 -0.055 -0.941) 1.205 14.470 ( 0.993 -0.446 -0.261) 1.119 ======================= Grid point 13 (9/129) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -1.703 7.048 -1.936) 7.505 1.326 ( -4.620 5.844 -2.374) 7.819 1.747 ( -4.423 -4.255 -0.439) 6.153 2.082 ( -1.584 -1.512 1.888) 2.891 2.267 ( -3.979 2.651 -0.525) 4.810 2.584 ( 1.793 2.944 0.688) 3.515 2.685 ( -7.126 -6.419 -2.227) 9.846 2.934 ( -2.380 -1.359 -4.562) 5.322 2.988 ( 2.106 -4.210 0.098) 4.709 3.234 ( -1.041 1.877 -2.703) 3.452 3.290 ( 3.305 -5.649 1.599) 6.737 3.537 ( 0.399 3.096 -2.033) 3.725 3.594 ( 2.871 0.908 2.419) 3.862 3.687 ( -1.763 4.572 1.237) 5.054 3.900 ( -0.136 3.314 2.490) 4.147 3.998 ( 3.308 2.079 -3.103) 4.989 4.218 ( -0.760 1.413 -3.965) 4.277 4.294 ( 1.547 -3.404 4.984) 6.231 4.343 ( -3.752 -5.146 1.583) 6.563 4.594 ( -3.800 -5.018 -2.285) 6.696 4.707 ( 2.769 -3.973 7.584) 8.998 4.758 ( -2.497 4.161 -3.661) 6.079 4.830 ( -0.124 2.252 -0.872) 2.418 4.922 ( 8.732 0.428 -0.662) 8.768 5.253 ( -0.963 -2.495 -6.643) 7.162 5.389 ( 0.342 0.747 2.056) 2.214 5.430 ( -0.096 1.615 4.824) 5.088 5.755 ( -2.422 -0.049 5.123) 5.667 6.132 ( 1.663 -1.165 4.809) 5.220 6.176 ( 3.703 2.586 1.095) 4.647 6.294 ( -1.433 -0.857 -0.634) 1.786 6.591 ( 6.528 4.293 -4.060) 8.805 6.862 ( -1.650 -1.803 -1.020) 2.648 6.971 ( 0.449 -0.969 -1.344) 1.717 7.234 ( -5.826 1.875 1.546) 6.312 7.308 ( -0.670 -4.462 1.141) 4.653 7.514 ( -3.178 -3.439 3.801) 6.031 7.758 ( -1.192 0.458 -6.948) 7.064 7.963 ( 3.875 0.733 7.645) 8.602 8.016 ( 2.197 0.617 -2.042) 3.062 8.420 ( 1.359 1.311 -1.134) 2.202 8.787 ( 0.395 1.134 -0.285) 1.234 9.242 ( 0.114 0.161 -0.136) 0.240 10.108 ( -0.477 3.208 -1.069) 3.415 10.288 ( 0.369 0.644 -0.300) 0.801 10.307 ( 0.467 1.539 -0.917) 1.851 10.418 ( -3.660 -1.488 1.789) 4.337 10.680 ( 7.029 3.279 -0.834) 7.801 10.802 ( 1.192 -1.331 4.415) 4.763 11.149 ( -1.507 -8.635 -5.838) 10.531 11.882 ( 1.910 13.068 2.928) 13.527 13.355 ( -8.640 -9.049 -2.019) 12.673 14.274 ( 0.113 0.361 -0.569) 0.683 14.481 ( 0.320 0.377 0.149) 0.517 ======================= Grid point 14 (10/129) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -8.563 11.277 -1.874) 14.283 1.069 ( -11.011 11.568 -5.010) 16.738 1.585 ( -11.098 11.736 -0.516) 16.160 2.080 ( -6.753 -3.181 1.538) 7.621 2.199 ( -0.498 -1.688 -1.126) 2.089 2.556 ( -1.844 2.250 1.265) 3.173 2.653 ( -3.651 -7.524 -3.674) 9.134 2.916 ( 0.900 -1.734 -1.496) 2.460 3.066 ( 2.503 -3.855 1.830) 4.947 3.230 ( 3.054 -2.584 -4.693) 6.167 3.369 ( -0.496 1.748 0.599) 1.913 3.486 ( 2.131 -2.534 -4.667) 5.722 3.592 ( -0.229 4.291 3.337) 5.441 3.786 ( 6.894 -7.749 -0.632) 10.391 3.894 ( -0.669 0.731 4.025) 4.145 4.004 ( 2.160 1.962 -3.416) 4.493 4.140 ( -1.846 3.382 -2.496) 4.591 4.324 ( -0.784 -0.565 5.291) 5.379 4.398 ( -4.480 -5.817 0.955) 7.404 4.553 ( -1.831 -3.113 -4.302) 5.617 4.677 ( -0.772 1.861 -1.263) 2.378 4.782 ( 0.132 2.186 2.757) 3.521 4.880 ( 2.845 -4.626 7.069) 8.914 5.058 ( 7.088 -0.219 -0.270) 7.097 5.242 ( 0.600 -3.561 -7.262) 8.111 5.392 ( 0.371 2.075 1.896) 2.835 5.434 ( 0.156 1.581 1.805) 2.404 5.730 ( -3.274 0.486 5.488) 6.409 6.185 ( -2.737 -1.276 6.764) 7.407 6.219 ( 4.630 6.471 -0.114) 7.958 6.301 ( 3.662 -1.573 -0.492) 4.016 6.654 ( 7.111 3.433 -0.460) 7.910 6.847 ( -2.487 -3.988 -0.614) 4.740 7.002 ( 2.469 1.435 0.135) 2.859 7.149 ( -2.333 -1.598 -1.418) 3.163 7.340 ( -2.847 -6.112 0.020) 6.742 7.486 ( -4.826 -1.131 2.428) 5.520 7.712 ( 1.094 0.849 -5.445) 5.618 8.031 ( 0.539 -2.870 1.966) 3.520 8.074 ( 5.896 3.729 3.324) 7.728 8.420 ( 1.201 2.225 -0.642) 2.609 8.770 ( -0.388 2.014 -0.115) 2.054 9.241 ( 0.150 0.280 -0.244) 0.400 10.025 ( 0.548 7.956 -1.998) 8.221 10.254 ( -2.073 0.664 -2.172) 3.075 10.298 ( -0.115 1.054 -0.668) 1.253 10.415 ( 0.195 -0.588 0.619) 0.876 10.763 ( 6.824 2.784 0.620) 7.396 10.875 ( 0.420 -4.126 2.272) 4.729 11.187 ( 0.951 -4.585 -1.954) 5.074 11.729 ( -3.047 15.453 -0.144) 15.752 13.317 ( -10.861 -16.196 -0.349) 19.503 14.263 ( -0.374 1.086 -0.072) 1.151 14.479 ( 0.179 0.942 0.490) 1.077 ======================= Grid point 15 (11/129) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -11.139 14.115 -3.455) 18.309 0.719 ( -10.216 16.235 -3.358) 19.474 1.169 ( -12.715 26.180 -1.985) 29.172 1.957 ( -6.782 1.394 -0.009) 6.924 2.229 ( -1.022 -5.239 -0.089) 5.338 2.486 ( -2.351 7.293 1.255) 7.765 2.668 ( -1.897 -10.762 -2.326) 11.173 2.959 ( 0.757 -3.275 0.007) 3.362 3.200 ( 5.651 -4.170 1.548) 7.192 3.302 ( 1.084 -2.281 0.721) 2.626 3.330 ( 1.909 -2.156 -5.170) 5.918 3.536 ( 0.081 -1.506 1.707) 2.278 3.584 ( 0.470 -0.083 -1.401) 1.480 3.891 ( 0.388 1.845 6.235) 6.514 3.981 ( 5.414 -7.731 -6.447) 11.430 4.003 ( 1.869 2.121 -1.802) 3.352 4.108 ( 0.314 -0.475 2.599) 2.661 4.277 ( -5.656 0.290 -4.004) 6.936 4.351 ( -2.356 -2.319 1.960) 3.843 4.577 ( -0.205 -4.037 0.401) 4.062 4.651 ( -1.981 -0.892 -0.678) 2.275 4.757 ( -1.485 3.320 2.141) 4.220 4.999 ( 1.091 -4.124 5.898) 7.279 5.160 ( 3.816 -1.159 1.474) 4.252 5.261 ( 1.366 -3.115 -5.311) 6.307 5.381 ( -0.336 2.206 1.701) 2.806 5.421 ( 1.254 3.063 -1.912) 3.823 5.707 ( -1.151 0.274 1.985) 2.311 6.138 ( -4.883 0.962 3.990) 6.379 6.205 ( 1.989 7.311 0.623) 7.603 6.412 ( 4.625 -2.200 1.477) 5.330 6.724 ( 0.297 -1.471 1.162) 1.898 6.905 ( 7.546 0.978 3.535) 8.390 6.998 ( 0.900 0.108 -2.683) 2.832 7.190 ( 4.669 -1.106 -1.802) 5.125 7.320 ( -6.754 -7.270 -1.340) 10.013 7.405 ( -6.183 -0.141 1.702) 6.415 7.733 ( 3.593 -1.182 -2.707) 4.651 8.080 ( 0.935 -3.387 -0.021) 3.514 8.151 ( 5.773 5.494 4.501) 9.152 8.413 ( 1.172 1.979 -0.465) 2.347 8.739 ( -0.619 2.351 0.401) 2.464 9.240 ( 0.267 0.452 0.005) 0.525 10.001 ( 6.618 8.744 4.319) 11.786 10.202 ( 0.329 0.978 -6.761) 6.840 10.282 ( -0.289 0.160 -1.768) 1.799 10.410 ( 0.294 2.552 -0.555) 2.628 10.858 ( -2.849 -6.127 3.091) 7.431 10.912 ( 7.433 2.696 -2.431) 8.272 11.242 ( 2.235 0.129 1.602) 2.753 11.517 ( -3.565 13.065 -1.784) 13.659 13.250 ( -18.915 -19.143 -0.219) 26.913 14.238 ( -0.750 1.930 0.138) 2.075 14.483 ( 0.971 0.758 0.796) 1.467 ======================= Grid point 16 (12/129) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 0.000 18.096 0.000) 18.096 0.414 ( 0.000 20.672 0.000) 20.672 0.718 ( 0.000 34.954 0.000) 34.954 1.872 ( 0.000 2.328 0.000) 2.328 2.268 ( -0.000 -5.040 -0.000) 5.040 2.386 ( 0.000 7.469 0.000) 7.469 2.762 ( -0.000 -11.811 -0.000) 11.811 2.982 ( -0.000 -0.294 -0.000) 0.294 3.217 ( 0.000 6.071 0.000) 6.071 3.369 ( -0.000 -6.032 -0.000) 6.032 3.432 ( -0.000 -9.658 -0.000) 9.658 3.523 ( 0.000 3.242 0.000) 3.242 3.601 ( -0.000 -4.636 -0.000) 4.636 3.920 ( 0.000 5.540 0.000) 5.540 3.952 ( -0.000 -1.414 -0.000) 1.414 4.075 ( 0.000 3.091 0.000) 3.091 4.093 ( -0.000 -1.660 -0.000) 1.660 4.301 ( -0.000 -8.148 -0.000) 8.148 4.335 ( -0.000 -4.452 -0.000) 4.452 4.594 ( 0.000 4.312 0.000) 4.312 4.606 ( -0.000 -1.706 -0.000) 1.706 4.711 ( 0.000 2.944 0.000) 2.944 5.060 ( -0.000 -3.309 -0.000) 3.309 5.225 ( -0.000 -3.229 -0.000) 3.229 5.281 ( -0.000 -1.521 -0.000) 1.521 5.362 ( 0.000 1.264 0.000) 1.264 5.398 ( 0.000 4.044 0.000) 4.044 5.699 ( 0.000 0.740 0.000) 0.740 6.078 ( 0.000 2.111 0.000) 2.111 6.159 ( 0.000 5.438 0.000) 5.438 6.477 ( -0.000 -1.108 -0.000) 1.108 6.745 ( -0.000 -4.155 -0.000) 4.155 6.936 ( 0.000 4.288 0.000) 4.288 7.125 ( -0.000 -1.942 -0.000) 1.942 7.237 ( 0.000 2.890 0.000) 2.890 7.258 ( -0.000 -7.191 -0.000) 7.191 7.355 ( -0.000 -2.941 -0.000) 2.941 7.797 ( -0.000 -3.721 -0.000) 3.721 8.123 ( -0.000 -3.154 -0.000) 3.154 8.178 ( 0.000 5.863 0.000) 5.863 8.430 ( -0.000 -1.037 -0.000) 1.037 8.712 ( 0.000 2.043 0.000) 2.043 9.239 ( 0.000 0.460 0.000) 0.460 10.088 ( 0.000 2.421 0.000) 2.421 10.196 ( 0.000 0.115 0.000) 0.115 10.269 ( -0.000 -0.125 -0.000) 0.125 10.380 ( 0.000 2.939 0.000) 2.939 10.839 ( -0.000 -5.879 -0.000) 5.879 11.030 ( 0.000 2.407 0.000) 2.407 11.255 ( 0.000 1.900 0.000) 1.900 11.365 ( 0.000 8.433 0.000) 8.433 13.092 ( -0.000 -7.409 -0.000) 7.409 14.210 ( 0.000 2.007 0.000) 2.007 14.498 ( -0.000 -0.149 -0.000) 0.149 ======================= Grid point 19 (13/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 13.014 0.000 2.100) 13.182 1.266 ( 10.225 0.000 -2.948) 10.641 1.654 ( -2.351 -0.000 2.310) 3.296 2.208 ( -7.592 -0.000 -1.220) 7.689 2.470 ( 3.322 0.000 -0.288) 3.335 2.554 ( 2.849 0.000 -4.216) 5.088 2.618 ( -1.097 -0.000 -1.731) 2.049 2.840 ( -7.963 -0.000 1.078) 8.036 3.078 ( -3.865 -0.000 -5.367) 6.613 3.130 ( 0.560 0.000 4.263) 4.299 3.292 ( -1.611 -0.000 4.536) 4.813 3.470 ( 6.199 0.000 4.126) 7.447 3.698 ( -4.145 -0.000 1.686) 4.475 3.784 ( 4.001 0.000 -1.956) 4.454 3.936 ( 1.668 0.000 -0.406) 1.717 4.147 ( -5.398 -0.000 1.590) 5.628 4.219 ( -5.888 -0.000 3.318) 6.758 4.250 ( 1.272 0.000 -2.249) 2.584 4.274 ( 3.024 0.000 1.192) 3.251 4.549 ( -0.009 -0.000 -3.452) 3.452 4.563 ( -5.808 -0.000 -3.907) 7.000 4.755 ( 7.426 0.000 1.554) 7.587 4.921 ( -2.145 -0.000 -3.499) 4.104 4.935 ( -0.737 -0.000 -2.405) 2.515 5.282 ( -2.921 -0.000 -4.118) 5.048 5.378 ( 0.070 0.000 2.085) 2.086 5.433 ( 0.935 0.000 5.862) 5.936 5.741 ( -1.020 -0.000 4.263) 4.383 6.078 ( 1.495 0.000 3.530) 3.833 6.211 ( -4.596 -0.000 2.383) 5.177 6.263 ( 1.185 0.000 -1.646) 2.028 6.585 ( 8.142 0.000 -7.339) 10.961 6.868 ( 0.749 0.000 -3.298) 3.382 7.015 ( -5.665 -0.000 -2.865) 6.348 7.226 ( -0.050 -0.000 2.484) 2.485 7.375 ( -3.987 -0.000 13.686) 14.255 7.445 ( -5.597 -0.000 0.696) 5.640 7.802 ( -0.093 -0.000 -7.342) 7.342 7.857 ( 5.704 0.000 7.515) 9.435 8.031 ( -0.515 -0.000 -3.119) 3.161 8.424 ( 1.493 0.000 -2.355) 2.788 8.781 ( 2.083 0.000 -0.487) 2.139 9.244 ( -0.017 -0.000 0.227) 0.227 10.017 ( 6.064 0.000 5.581) 8.241 10.251 ( 1.100 0.000 1.151) 1.592 10.383 ( 0.923 0.000 0.140) 0.934 10.477 ( -5.268 -0.000 1.770) 5.557 10.607 ( 6.730 0.000 1.052) 6.812 10.927 ( 0.653 0.000 -5.133) 5.174 10.939 ( -6.490 -0.000 -5.408) 8.448 11.957 ( 10.279 0.000 6.883) 12.370 13.459 ( -12.275 -0.000 -6.110) 13.712 14.271 ( 1.022 0.000 -1.320) 1.669 14.464 ( 1.529 0.000 -0.359) 1.571 ======================= Grid point 20 (14/129) ======================= q-point: (-0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 4.429 6.730 -3.470) 8.772 1.403 ( 4.008 1.884 -0.554) 4.463 1.599 ( -4.759 -7.876 -0.223) 9.205 2.070 ( -7.259 -0.319 1.040) 7.340 2.386 ( -3.295 8.822 -1.269) 9.502 2.562 ( -5.270 -6.849 -3.780) 9.433 2.646 ( 2.050 2.927 1.790) 3.997 2.753 ( -5.304 -8.975 -0.751) 10.452 3.022 ( 1.555 2.134 -3.561) 4.433 3.169 ( 0.817 -3.310 -0.121) 3.411 3.306 ( 1.909 1.631 1.816) 3.098 3.565 ( 2.848 0.983 2.554) 3.949 3.636 ( -0.909 2.263 -2.328) 3.372 3.815 ( -1.943 6.160 0.748) 6.502 3.926 ( -1.437 -0.416 -0.642) 1.628 4.070 ( -4.515 -3.178 -0.202) 5.525 4.132 ( 0.705 0.421 1.632) 1.827 4.248 ( -0.242 0.991 0.012) 1.020 4.371 ( 2.081 1.875 4.393) 5.210 4.492 ( -2.078 -3.655 -3.152) 5.255 4.587 ( 2.644 -5.944 1.348) 6.643 4.818 ( -0.632 1.770 -1.298) 2.284 4.887 ( -1.746 2.157 -2.723) 3.888 4.936 ( 7.004 0.376 -1.511) 7.175 5.213 ( -2.594 -1.293 -4.972) 5.755 5.397 ( 1.108 0.112 1.287) 1.702 5.465 ( -0.541 1.362 7.099) 7.249 5.744 ( -2.804 -0.681 6.862) 7.443 6.135 ( 2.237 1.049 4.886) 5.475 6.190 ( 1.239 -0.826 1.446) 2.076 6.291 ( 2.729 0.275 -0.435) 2.777 6.671 ( 8.283 2.956 -7.644) 11.652 6.834 ( -3.382 -0.854 -3.127) 4.684 6.942 ( -1.164 -1.477 -1.446) 2.372 7.242 ( -0.439 -1.554 1.727) 2.365 7.303 ( -6.758 4.572 4.574) 9.354 7.415 ( -4.913 -5.849 7.879) 10.974 7.758 ( -0.410 -0.141 -7.534) 7.547 7.959 ( 0.608 -0.338 5.972) 6.012 8.042 ( 4.778 1.027 -1.499) 5.111 8.441 ( 2.215 0.611 -1.601) 2.801 8.806 ( 1.350 0.600 -0.533) 1.571 9.245 ( 0.161 0.098 -0.042) 0.193 10.127 ( 3.010 -0.210 2.763) 4.091 10.291 ( 2.740 -0.259 1.199) 3.002 10.368 ( -0.432 3.106 -2.644) 4.102 10.404 ( -4.267 -0.130 1.670) 4.584 10.699 ( 0.695 -1.122 4.074) 4.282 10.819 ( 2.288 2.830 -5.608) 6.685 10.993 ( 3.085 -5.831 -1.806) 6.840 12.102 ( 6.166 7.126 4.531) 10.456 13.204 ( -15.523 -4.967 -5.598) 17.233 14.278 ( 0.674 0.098 -1.284) 1.453 14.485 ( 0.871 0.045 -0.031) 0.873 ======================= Grid point 21 (15/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -4.949 11.413 -1.584) 12.541 1.275 ( -6.563 8.357 -5.241) 11.848 1.670 ( 0.863 -3.126 0.538) 3.287 1.997 ( -5.501 -4.085 2.075) 7.159 2.246 ( -3.314 5.740 -0.929) 6.692 2.487 ( -5.796 -5.326 -3.006) 8.426 2.650 ( 1.180 2.402 -0.950) 2.840 2.774 ( -4.086 -9.022 0.613) 9.923 3.049 ( 4.599 1.658 0.085) 4.890 3.212 ( 0.891 -2.188 -1.366) 2.729 3.352 ( 5.341 0.448 -2.180) 5.786 3.537 ( -2.744 4.834 -4.374) 7.074 3.651 ( 3.445 -4.273 -0.717) 5.536 3.665 ( -5.308 3.009 0.136) 6.103 3.905 ( -3.396 -0.870 4.219) 5.486 4.032 ( -1.889 -0.643 -0.833) 2.162 4.216 ( 0.725 -1.592 -0.227) 1.764 4.238 ( 0.990 -2.159 2.705) 3.600 4.370 ( 0.183 5.412 4.704) 7.173 4.488 ( -0.429 -2.863 -3.396) 4.463 4.736 ( 0.981 -3.063 -0.681) 3.288 4.756 ( 0.828 -0.657 1.530) 1.860 4.833 ( -0.359 1.353 -0.732) 1.579 5.050 ( 5.934 -0.548 -0.958) 6.036 5.177 ( -0.852 -2.827 -4.382) 5.284 5.425 ( 2.212 0.936 -0.060) 2.403 5.467 ( -1.002 1.958 5.486) 5.910 5.727 ( -4.528 -0.714 7.780) 9.030 6.178 ( 0.659 0.524 3.824) 3.916 6.252 ( 3.254 -2.039 -0.168) 3.844 6.352 ( 6.357 4.958 1.946) 8.293 6.723 ( 4.083 3.456 -2.859) 6.066 6.778 ( -0.914 -2.255 -2.784) 3.697 6.982 ( 3.813 -3.687 -2.954) 6.071 7.169 ( -5.962 3.651 2.936) 7.583 7.251 ( -2.160 -2.790 0.498) 3.563 7.421 ( -5.987 -5.095 7.114) 10.602 7.716 ( 0.084 0.018 -6.113) 6.113 7.984 ( -0.297 -1.712 2.020) 2.664 8.122 ( 5.006 1.409 1.805) 5.505 8.466 ( 2.651 1.970 -0.695) 3.375 8.807 ( 0.451 1.579 -0.616) 1.754 9.246 ( 0.288 0.237 -0.150) 0.402 10.145 ( 1.127 3.465 -0.397) 3.665 10.288 ( -1.721 3.638 -1.166) 4.190 10.325 ( -1.066 1.241 -1.432) 2.174 10.394 ( 2.564 -1.263 1.905) 3.435 10.712 ( -4.590 -6.273 3.475) 8.514 10.873 ( 8.157 2.474 -4.976) 9.870 11.121 ( 6.308 -2.055 3.456) 7.480 12.047 ( -0.952 15.492 0.270) 15.523 13.008 ( -15.285 -14.467 -4.048) 21.431 14.279 ( 0.437 0.528 -0.794) 1.049 14.492 ( 0.230 0.408 0.201) 0.510 ======================= Grid point 22 (16/129) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -8.123 13.636 -2.589) 16.082 1.035 ( -5.036 14.869 -2.887) 15.962 1.597 ( -3.217 14.787 0.627) 15.146 1.951 ( -4.928 -2.714 0.629) 5.661 2.170 ( -1.546 -0.062 -0.938) 1.809 2.473 ( -1.836 -7.015 -0.930) 7.311 2.628 ( 1.074 5.509 -1.709) 5.867 2.803 ( -3.285 -10.767 0.134) 11.258 3.131 ( 4.256 -1.095 2.999) 5.320 3.244 ( 2.664 -0.854 -2.371) 3.667 3.389 ( -1.086 4.078 -0.763) 4.289 3.462 ( 1.175 -3.479 -3.874) 5.338 3.599 ( -1.690 -0.103 -0.311) 1.721 3.788 ( 5.040 -10.229 -4.083) 12.112 3.888 ( -3.968 -2.993 7.392) 8.908 4.019 ( 0.556 -0.708 -1.329) 1.605 4.186 ( 1.019 6.352 0.652) 6.466 4.278 ( -1.877 -0.510 -0.338) 1.974 4.329 ( -3.600 1.565 3.787) 5.454 4.508 ( 2.418 -1.842 -2.424) 3.888 4.653 ( -3.026 0.654 -2.067) 3.722 4.823 ( 1.000 2.082 -0.368) 2.339 4.898 ( 2.141 -5.456 4.758) 7.549 5.128 ( 2.929 -1.892 -1.980) 4.010 5.191 ( 0.400 -3.670 -1.876) 4.141 5.431 ( -0.658 2.824 2.957) 4.141 5.467 ( 2.053 1.588 -1.938) 3.240 5.702 ( -3.388 -0.987 6.059) 7.012 6.172 ( -1.484 1.956 2.317) 3.376 6.350 ( 4.235 -3.516 -0.047) 5.504 6.378 ( 3.428 9.033 0.596) 9.680 6.695 ( -2.925 -1.231 -0.075) 3.174 6.876 ( 9.165 -1.688 0.358) 9.326 7.050 ( -1.300 2.699 1.338) 3.281 7.120 ( 3.961 -5.259 -3.467) 7.441 7.220 ( -4.495 -2.754 -0.489) 5.294 7.379 ( -7.102 -2.458 4.670) 8.848 7.705 ( 0.954 -1.137 -2.856) 3.219 8.014 ( 0.147 -2.936 0.736) 3.030 8.199 ( 3.815 0.343 2.019) 4.330 8.474 ( 1.649 3.609 -0.251) 3.975 8.787 ( -0.023 2.343 -0.400) 2.377 9.249 ( 0.358 0.365 -0.042) 0.513 10.137 ( 3.456 5.260 2.271) 6.691 10.224 ( -1.267 1.861 -1.907) 2.951 10.289 ( -0.668 0.403 -2.879) 2.983 10.454 ( 2.667 1.670 0.556) 3.195 10.707 ( -5.562 -7.612 1.286) 9.514 10.974 ( 8.825 2.371 -1.948) 9.343 11.256 ( 5.490 1.075 4.292) 7.051 11.815 ( -4.812 16.761 -2.449) 17.609 12.904 ( -13.786 -16.954 -2.428) 21.986 14.271 ( 0.031 1.330 -0.274) 1.358 14.492 ( 0.259 0.356 0.298) 0.531 ======================= Grid point 23 (17/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.000 16.536 0.000) 16.536 0.807 ( 0.000 18.738 0.000) 18.738 1.341 ( 0.000 26.854 0.000) 26.854 1.913 ( 0.000 0.797 0.000) 0.797 2.174 ( -0.000 -3.425 -0.000) 3.425 2.542 ( -0.000 -9.814 -0.000) 9.814 2.555 ( 0.000 8.540 0.000) 8.540 2.883 ( -0.000 -9.866 -0.000) 9.866 3.239 ( -0.000 -7.719 -0.000) 7.719 3.268 ( -0.000 -1.283 -0.000) 1.283 3.328 ( 0.000 3.806 0.000) 3.806 3.507 ( -0.000 -4.851 -0.000) 4.851 3.580 ( 0.000 1.274 0.000) 1.274 3.912 ( -0.000 -3.347 -0.000) 3.347 3.929 ( -0.000 -8.030 -0.000) 8.030 4.055 ( -0.000 -3.751 -0.000) 3.751 4.125 ( 0.000 6.350 0.000) 6.350 4.232 ( 0.000 3.669 0.000) 3.669 4.285 ( -0.000 -1.266 -0.000) 1.266 4.556 ( -0.000 -2.551 -0.000) 2.551 4.620 ( -0.000 -0.852 -0.000) 0.852 4.797 ( 0.000 4.522 0.000) 4.522 4.978 ( -0.000 -4.809 -0.000) 4.809 5.171 ( -0.000 -2.364 -0.000) 2.364 5.229 ( -0.000 -3.756 -0.000) 3.756 5.401 ( 0.000 2.710 0.000) 2.710 5.463 ( 0.000 2.458 0.000) 2.458 5.701 ( -0.000 -0.796 -0.000) 0.796 6.134 ( 0.000 3.193 0.000) 3.193 6.310 ( 0.000 9.444 0.000) 9.444 6.431 ( -0.000 -3.661 -0.000) 3.661 6.682 ( -0.000 -2.169 -0.000) 2.169 7.003 ( 0.000 2.299 0.000) 2.299 7.090 ( -0.000 -8.124 -0.000) 8.124 7.099 ( -0.000 -0.489 -0.000) 0.489 7.279 ( -0.000 -5.402 -0.000) 5.402 7.288 ( 0.000 2.015 0.000) 2.015 7.730 ( -0.000 -2.749 -0.000) 2.749 8.051 ( -0.000 -3.686 -0.000) 3.686 8.246 ( 0.000 0.315 0.000) 0.315 8.450 ( 0.000 3.452 0.000) 3.452 8.760 ( 0.000 2.661 0.000) 2.661 9.249 ( 0.000 0.428 0.000) 0.428 10.153 ( 0.000 4.029 0.000) 4.029 10.202 ( 0.000 0.456 0.000) 0.456 10.267 ( -0.000 -0.086 -0.000) 0.086 10.448 ( 0.000 3.590 0.000) 3.590 10.715 ( -0.000 -6.486 -0.000) 6.486 11.060 ( 0.000 0.796 0.000) 0.796 11.301 ( 0.000 2.519 0.000) 2.519 11.597 ( 0.000 14.565 0.000) 14.565 12.891 ( -0.000 -12.646 -0.000) 12.646 14.253 ( 0.000 2.060 0.000) 2.060 14.496 ( -0.000 -0.029 -0.000) 0.029 ======================= Grid point 28 (18/129) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -1.086 -0.000 -5.268) 5.379 1.379 ( -10.187 -0.000 -1.710) 10.329 1.580 ( 8.857 0.000 0.282) 8.862 1.951 ( -6.498 -0.000 2.330) 6.903 2.346 ( -7.407 -0.000 -4.238) 8.534 2.436 ( -1.548 -0.000 -1.082) 1.888 2.575 ( -5.623 -0.000 0.679) 5.664 2.742 ( 2.265 0.000 3.468) 4.142 3.082 ( 5.956 0.000 -2.746) 6.559 3.162 ( 1.845 0.000 -2.629) 3.212 3.380 ( 4.276 0.000 0.855) 4.361 3.581 ( -1.160 -0.000 -2.431) 2.693 3.608 ( -1.415 -0.000 -3.830) 4.083 3.743 ( -9.101 -0.000 -1.490) 9.222 3.880 ( -10.067 -0.000 3.685) 10.720 3.960 ( 2.422 0.000 -0.228) 2.433 4.202 ( 3.987 0.000 5.289) 6.624 4.236 ( -1.468 -0.000 0.846) 1.694 4.450 ( -0.372 -0.000 -2.577) 2.603 4.510 ( 5.694 0.000 3.658) 6.768 4.596 ( 2.964 0.000 1.690) 3.412 4.815 ( -4.935 -0.000 -5.795) 7.611 4.830 ( 2.005 0.000 -0.382) 2.041 5.044 ( 5.548 0.000 -1.089) 5.654 5.145 ( -1.999 -0.000 -2.429) 3.146 5.433 ( 2.765 0.000 -0.591) 2.828 5.493 ( -1.393 -0.000 6.812) 6.953 5.716 ( -4.801 -0.000 7.934) 9.274 6.196 ( 0.555 0.000 3.140) 3.189 6.217 ( 3.236 0.000 -0.975) 3.379 6.405 ( 8.138 0.000 4.073) 9.100 6.740 ( -4.335 -0.000 -1.651) 4.639 6.793 ( 9.195 0.000 -8.805) 12.730 6.920 ( 0.363 0.000 -1.307) 1.356 7.219 ( -2.593 -0.000 0.743) 2.697 7.243 ( -5.888 -0.000 0.518) 5.911 7.336 ( -5.608 -0.000 12.338) 13.552 7.716 ( 0.156 0.000 -6.691) 6.693 7.967 ( -0.627 -0.000 2.062) 2.155 8.135 ( 4.255 0.000 1.297) 4.448 8.486 ( 3.248 0.000 -0.601) 3.303 8.824 ( 0.690 0.000 -0.698) 0.981 9.249 ( 0.313 0.000 -0.138) 0.342 10.172 ( 1.248 0.000 0.857) 1.514 10.339 ( -2.139 -0.000 -2.403) 3.217 10.361 ( -2.422 -0.000 -0.296) 2.440 10.367 ( 5.171 0.000 1.401) 5.358 10.628 ( -5.741 -0.000 2.407) 6.225 10.902 ( 7.853 0.000 -5.818) 9.774 11.101 ( 8.386 0.000 6.309) 10.494 12.241 ( 2.810 0.000 1.864) 3.373 12.827 ( -19.885 -0.000 -6.708) 20.986 14.284 ( 0.715 0.000 -1.082) 1.296 14.496 ( 0.306 0.000 0.112) 0.326 ======================= Grid point 30 (19/129) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -7.448 7.050 -2.777) 10.625 1.266 ( -2.359 7.240 -2.520) 8.021 1.722 ( 5.491 -0.069 0.902) 5.565 1.884 ( -4.441 -2.406 1.513) 5.272 2.198 ( -5.094 1.257 -3.198) 6.145 2.407 ( -0.394 1.250 -0.033) 1.311 2.564 ( -2.478 -9.219 -0.102) 9.547 2.765 ( 0.678 4.161 2.162) 4.738 3.155 ( 4.643 3.292 -1.144) 5.806 3.230 ( 5.174 -2.617 -0.160) 5.801 3.420 ( 1.480 2.707 -2.824) 4.183 3.500 ( -4.763 3.911 -3.385) 7.031 3.566 ( -2.814 -3.811 -1.689) 5.029 3.622 ( -1.877 -4.765 -1.672) 5.387 3.794 ( -5.935 -4.562 5.186) 9.107 3.992 ( 0.160 -1.835 -0.317) 1.869 4.219 ( -0.444 -0.502 0.461) 0.813 4.309 ( 4.087 2.638 5.920) 7.662 4.416 ( -0.733 2.203 -0.148) 2.326 4.536 ( 3.136 6.734 -0.560) 7.449 4.671 ( -6.191 0.753 -5.474) 8.298 4.724 ( 1.919 -8.967 1.054) 9.230 4.886 ( 3.799 1.076 1.356) 4.175 5.100 ( 1.968 -0.355 -2.321) 3.063 5.127 ( -0.760 -2.539 0.231) 2.661 5.475 ( 2.698 0.996 -1.146) 3.096 5.494 ( -0.547 1.317 3.021) 3.340 5.676 ( -4.578 -1.165 6.363) 7.925 6.203 ( -0.173 1.038 1.546) 1.870 6.280 ( 2.877 -2.519 -1.070) 3.970 6.537 ( 6.031 5.392 2.592) 8.495 6.678 ( -2.650 -0.454 -0.414) 2.720 6.878 ( 6.836 2.385 -2.551) 7.676 6.977 ( 4.336 -6.452 -4.768) 9.119 7.126 ( -5.021 2.700 2.513) 6.230 7.175 ( -4.790 -2.076 0.515) 5.246 7.329 ( -3.704 -1.809 7.011) 8.133 7.693 ( 0.427 -0.202 -3.852) 3.881 7.973 ( -0.194 -1.082 0.918) 1.432 8.196 ( 2.245 -0.239 1.022) 2.478 8.529 ( 2.375 1.563 -0.045) 2.844 8.822 ( 0.160 0.997 -0.514) 1.133 9.253 ( 0.327 0.121 -0.108) 0.365 10.191 ( 1.462 0.768 0.763) 1.819 10.290 ( -1.530 2.158 -3.004) 4.003 10.299 ( -1.751 1.872 0.085) 2.564 10.470 ( 5.065 -0.198 0.131) 5.071 10.581 ( -4.265 -4.168 2.508) 6.469 11.004 ( 7.004 0.727 -2.530) 7.482 11.274 ( 6.905 0.522 5.589) 8.899 12.153 ( -3.863 16.193 -1.747) 16.739 12.573 ( -13.312 -15.796 -3.969) 21.035 14.289 ( 0.463 0.412 -0.534) 0.818 14.497 ( 0.024 0.161 0.133) 0.211 ======================= Grid point 31 (20/129) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.000 11.977 0.000) 11.977 1.131 ( 0.000 13.236 0.000) 13.236 1.721 ( 0.000 10.867 0.000) 10.867 1.874 ( -0.000 -4.172 -0.000) 4.172 2.144 ( -0.000 -0.462 -0.000) 0.462 2.410 ( -0.000 -2.607 -0.000) 2.607 2.651 ( -0.000 -11.995 -0.000) 11.995 2.711 ( 0.000 7.557 0.000) 7.557 3.171 ( 0.000 0.623 0.000) 0.623 3.285 ( 0.000 3.495 0.000) 3.495 3.409 ( 0.000 3.645 0.000) 3.645 3.416 ( -0.000 -4.507 -0.000) 4.507 3.564 ( -0.000 -2.329 -0.000) 2.329 3.708 ( -0.000 -11.794 -0.000) 11.794 3.809 ( -0.000 -5.843 -0.000) 5.843 4.007 ( -0.000 -1.493 -0.000) 1.493 4.237 ( -0.000 -2.869 -0.000) 2.869 4.284 ( 0.000 8.396 0.000) 8.396 4.379 ( 0.000 8.698 0.000) 8.698 4.535 ( 0.000 0.221 0.000) 0.221 4.585 ( -0.000 -1.879 -0.000) 1.879 4.817 ( -0.000 -5.470 -0.000) 5.470 4.914 ( 0.000 1.018 0.000) 1.018 5.129 ( -0.000 -1.784 -0.000) 1.784 5.147 ( -0.000 -3.966 -0.000) 3.966 5.463 ( 0.000 3.229 0.000) 3.229 5.497 ( 0.000 1.111 0.000) 1.111 5.669 ( -0.000 -2.108 -0.000) 2.108 6.189 ( 0.000 2.104 0.000) 2.104 6.341 ( -0.000 -4.640 -0.000) 4.640 6.510 ( 0.000 9.975 0.000) 9.975 6.657 ( -0.000 -0.512 -0.000) 0.512 6.972 ( -0.000 -3.746 -0.000) 3.746 7.024 ( 0.000 0.140 0.000) 0.140 7.108 ( 0.000 1.036 0.000) 1.036 7.142 ( -0.000 -7.789 -0.000) 7.789 7.313 ( 0.000 0.625 0.000) 0.625 7.694 ( -0.000 -0.998 -0.000) 0.998 7.991 ( -0.000 -2.216 -0.000) 2.216 8.228 ( -0.000 -1.203 -0.000) 1.203 8.526 ( 0.000 3.242 0.000) 3.242 8.807 ( 0.000 1.875 0.000) 1.875 9.255 ( 0.000 0.200 0.000) 0.200 10.212 ( 0.000 0.475 0.000) 0.475 10.237 ( 0.000 3.863 0.000) 3.863 10.268 ( 0.000 0.443 0.000) 0.443 10.508 ( 0.000 2.234 0.000) 2.234 10.591 ( -0.000 -5.668 -0.000) 5.668 11.068 ( 0.000 0.133 0.000) 0.133 11.344 ( 0.000 1.608 0.000) 1.608 11.918 ( 0.000 17.498 0.000) 17.498 12.606 ( -0.000 -15.937 -0.000) 15.937 14.284 ( 0.000 1.031 0.000) 1.031 14.497 ( 0.000 0.124 0.000) 0.124 ======================= Grid point 39 (21/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.000 0.000 0.000) 0.000 1.276 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.814 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.481 ( -0.000 -0.000 -0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.342 ( -0.000 -0.000 -0.000) 0.000 3.371 ( -0.000 -0.000 -0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.522 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.409 ( -0.000 -0.000 -0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.540 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.667 ( -0.000 -0.000 -0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.653 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 7.023 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.121 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.685 ( 0.000 0.000 0.000) 0.000 7.968 ( 0.000 0.000 0.000) 0.000 8.215 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 10.217 ( 0.000 0.000 0.000) 0.000 10.262 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.523 ( -0.000 -0.000 -0.000) 0.000 10.531 ( 0.000 0.000 0.000) 0.000 11.069 ( 0.000 0.000 0.000) 0.000 11.360 ( 0.000 0.000 0.000) 0.000 12.250 ( -0.000 -0.000 -0.000) 0.000 12.291 ( 0.000 0.000 0.000) 0.000 14.294 ( 0.000 0.000 0.000) 0.000 14.498 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/129) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -2.856 -0.000 20.600) 20.797 0.459 ( -0.285 -0.000 21.232) 21.234 0.858 ( -4.725 -0.000 39.875) 40.154 1.802 ( 1.337 0.000 -4.193) 4.401 2.230 ( 0.883 0.000 -6.604) 6.663 2.369 ( -0.998 -0.000 3.828) 3.956 2.952 ( 1.445 0.000 0.572) 1.554 2.968 ( -2.104 -0.000 0.266) 2.121 3.142 ( 0.163 0.000 0.636) 0.657 3.341 ( 5.711 0.000 -8.242) 10.027 3.445 ( 5.142 0.000 -4.087) 6.569 3.588 ( -3.333 -0.000 2.719) 4.301 3.597 ( -7.220 -0.000 -2.712) 7.712 3.830 ( 0.258 0.000 -0.085) 0.272 4.021 ( 5.707 0.000 3.605) 6.750 4.036 ( 5.883 0.000 1.674) 6.116 4.152 ( -3.503 -0.000 1.749) 3.916 4.317 ( 1.038 0.000 4.874) 4.983 4.372 ( 8.988 0.000 -5.780) 10.686 4.446 ( -1.794 -0.000 -1.515) 2.348 4.651 ( -0.525 -0.000 -4.691) 4.720 4.713 ( -7.764 -0.000 5.643) 9.598 4.846 ( -1.312 -0.000 -10.130) 10.215 5.086 ( 0.943 0.000 -4.815) 4.906 5.182 ( 7.653 0.000 -9.173) 11.946 5.388 ( -0.215 -0.000 -0.127) 0.250 5.414 ( -2.611 -0.000 10.714) 11.028 5.947 ( 3.404 0.000 -5.751) 6.683 6.188 ( -2.758 -0.000 9.270) 9.671 6.504 ( -2.911 -0.000 3.140) 4.282 6.693 ( -0.653 -0.000 3.410) 3.472 6.723 ( -16.038 -0.000 -0.699) 16.053 6.785 ( 1.843 0.000 -3.150) 3.649 7.140 ( 0.647 0.000 -4.141) 4.192 7.208 ( 2.339 0.000 5.725) 6.185 7.410 ( 0.469 0.000 2.795) 2.834 7.810 ( 5.391 0.000 -2.683) 6.022 7.814 ( -0.302 -0.000 -0.373) 0.480 7.965 ( -13.989 -0.000 0.885) 14.017 8.209 ( -2.231 -0.000 4.128) 4.692 8.322 ( 0.176 0.000 -4.080) 4.084 9.158 ( -0.890 -0.000 -4.918) 4.998 9.290 ( -26.994 -0.000 3.077) 27.169 9.649 ( 2.725 0.000 -1.121) 2.947 10.308 ( 0.623 0.000 3.049) 3.112 10.351 ( 1.138 0.000 0.328) 1.184 10.916 ( -3.112 -0.000 -1.195) 3.334 10.944 ( -23.654 -0.000 -1.527) 23.703 10.974 ( 3.359 0.000 4.811) 5.868 11.263 ( -1.917 -0.000 2.523) 3.169 11.292 ( 1.204 0.000 0.919) 1.515 12.336 ( 40.497 0.000 -7.864) 41.254 14.211 ( -0.767 -0.000 2.076) 2.213 14.395 ( -0.290 -0.000 -0.912) 0.957 ======================= Grid point 70 (23/129) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 6.960 -8.951 15.754) 19.411 0.701 ( 10.183 -6.005 17.101) 20.789 1.171 ( 10.947 -6.314 29.377) 31.980 1.884 ( 9.639 -1.048 -4.585) 10.725 2.251 ( 3.688 -2.897 -6.412) 7.944 2.381 ( 0.490 1.178 3.149) 3.397 2.894 ( -4.322 1.693 -2.198) 5.136 2.939 ( -0.738 4.627 1.883) 5.050 3.161 ( -0.886 -6.717 0.088) 6.776 3.375 ( 3.478 7.024 -5.562) 9.611 3.430 ( -3.364 -0.900 -6.585) 7.449 3.475 ( -3.434 1.354 -1.107) 3.854 3.569 ( -1.309 -0.835 6.949) 7.120 3.856 ( 2.285 1.632 -0.299) 2.824 4.046 ( -1.941 2.216 2.982) 4.191 4.104 ( 1.853 1.812 -0.082) 2.593 4.154 ( 1.167 0.587 -0.021) 1.306 4.342 ( -1.956 -1.532 2.808) 3.750 4.374 ( 2.537 7.727 -3.190) 8.736 4.546 ( 4.698 -5.030 -6.808) 9.681 4.626 ( -0.680 -1.855 -3.717) 4.210 4.651 ( 1.049 0.289 1.814) 2.116 4.752 ( -2.259 -0.521 -12.312) 12.528 5.066 ( -1.225 -0.664 -4.335) 4.554 5.257 ( 5.101 -0.411 -7.914) 9.424 5.410 ( 2.722 0.195 2.823) 3.927 5.435 ( -1.464 0.065 8.972) 9.091 5.962 ( 2.516 -0.203 -8.397) 8.768 6.170 ( -13.998 1.594 10.527) 17.587 6.270 ( -13.749 5.359 11.674) 18.816 6.485 ( -3.996 3.000 4.711) 6.867 6.679 ( -5.974 -3.977 0.515) 7.195 6.793 ( 1.278 1.063 -1.985) 2.589 7.110 ( -0.707 2.016 -3.876) 4.426 7.261 ( 0.231 0.733 6.033) 6.081 7.466 ( 4.033 1.031 4.827) 6.374 7.587 ( -5.412 13.041 6.344) 15.480 7.834 ( -2.735 0.352 3.773) 4.673 7.887 ( -5.294 -11.053 -2.450) 12.498 8.181 ( -3.733 0.555 4.616) 5.962 8.317 ( 1.378 -1.465 -5.480) 5.838 8.868 ( -13.086 1.654 12.589) 18.233 9.189 ( 2.621 0.842 -4.543) 5.312 9.760 ( 3.496 -8.008 0.079) 8.738 10.326 ( 1.214 2.295 2.469) 3.583 10.373 ( -1.660 -0.749 1.809) 2.567 10.461 ( -13.040 1.402 9.389) 16.130 10.817 ( -7.174 -1.934 0.829) 7.477 11.009 ( -4.038 2.839 2.513) 5.539 11.260 ( -1.902 -3.476 -0.312) 3.975 11.349 ( 9.117 -1.682 2.344) 9.562 13.139 ( 35.960 2.844 -29.804) 46.792 14.222 ( 0.278 -0.702 1.674) 1.836 14.403 ( 0.231 -2.377 -1.511) 2.826 ======================= Grid point 71 (24/129) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 8.776 -8.495 11.545) 16.807 1.038 ( 10.246 -8.401 13.523) 18.932 1.544 ( 10.322 -4.463 14.075) 18.016 2.057 ( 11.410 0.194 -4.287) 12.191 2.293 ( 0.741 2.324 -1.373) 2.799 2.409 ( 2.617 -4.008 -2.430) 5.368 2.775 ( -6.255 -1.553 -4.010) 7.591 2.927 ( 2.238 2.873 4.068) 5.459 3.190 ( -4.741 -2.238 2.370) 5.754 3.300 ( -1.269 1.895 -6.776) 7.149 3.348 ( -0.893 0.126 -2.757) 2.901 3.413 ( -0.538 3.335 1.333) 3.632 3.627 ( 1.475 0.921 5.741) 5.998 3.807 ( -2.124 4.582 -2.230) 5.521 3.994 ( -2.889 8.552 -2.838) 9.462 4.065 ( -2.646 -1.203 5.095) 5.866 4.157 ( 0.433 -0.108 0.350) 0.567 4.276 ( -1.499 3.185 -4.093) 5.398 4.419 ( 6.446 -0.759 -3.624) 7.433 4.543 ( -2.413 -3.364 -9.117) 10.013 4.620 ( -0.840 -1.212 1.478) 2.088 4.681 ( -1.140 -2.841 -6.960) 7.603 4.735 ( 5.711 0.835 -1.578) 5.983 5.003 ( -3.783 0.228 -3.956) 5.479 5.259 ( 0.750 0.572 -7.988) 8.043 5.455 ( -0.567 1.930 9.333) 9.547 5.501 ( 3.963 -0.536 4.180) 5.785 5.824 ( -11.889 5.560 5.629) 14.281 6.001 ( 0.327 -3.226 -5.240) 6.162 6.275 ( -0.659 -0.221 8.745) 8.773 6.400 ( -4.602 4.409 4.239) 7.654 6.614 ( -6.013 -4.050 3.075) 7.875 6.806 ( 1.274 -1.834 -3.243) 3.938 7.044 ( -1.464 3.406 -1.647) 4.056 7.278 ( 0.348 2.509 5.985) 6.498 7.484 ( 0.230 7.068 0.411) 7.084 7.553 ( 3.673 3.022 6.438) 8.005 7.826 ( -1.822 -2.430 6.398) 7.083 7.871 ( -4.087 -4.711 -3.661) 7.231 8.130 ( -4.267 0.538 5.359) 6.872 8.332 ( 1.586 -2.157 -5.114) 5.772 8.802 ( -3.274 -1.258 6.936) 7.773 9.200 ( 1.929 0.347 -4.063) 4.512 9.918 ( 5.306 -7.002 2.466) 9.125 10.317 ( -3.515 -0.598 3.334) 4.881 10.338 ( 1.228 2.613 2.303) 3.693 10.429 ( 0.545 0.601 1.127) 1.388 10.731 ( -6.408 -2.071 2.011) 7.028 10.866 ( -6.613 3.624 -3.317) 8.238 11.269 ( -4.017 -7.775 -0.023) 8.752 11.571 ( 12.425 1.227 5.014) 13.454 13.334 ( 13.026 6.026 -20.182) 24.765 14.246 ( 0.452 -1.158 1.030) 1.614 14.427 ( 0.750 -2.173 -1.159) 2.574 ======================= Grid point 72 (25/129) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 4.268 -4.956 9.139) 11.238 1.334 ( 5.926 -8.177 11.634) 15.405 1.726 ( 4.224 -0.033 0.411) 4.244 2.144 ( 1.566 4.329 -0.701) 4.656 2.270 ( 2.354 1.099 -0.861) 2.737 2.487 ( 2.371 -3.503 -4.069) 5.869 2.718 ( 0.109 -3.819 -4.573) 5.959 2.983 ( 1.476 -1.044 3.729) 4.144 3.083 ( -8.608 -0.169 2.842) 9.067 3.224 ( -1.287 3.362 -5.887) 6.900 3.315 ( -2.205 -3.097 -3.441) 5.128 3.466 ( 7.391 4.869 2.441) 9.181 3.600 ( -3.592 3.061 2.692) 5.433 3.723 ( -2.461 4.485 -0.111) 5.117 3.876 ( 0.159 4.559 -1.586) 4.830 4.036 ( -2.433 0.935 1.188) 2.864 4.142 ( -1.824 -0.607 -5.492) 5.818 4.264 ( 2.267 -2.699 2.373) 4.249 4.462 ( -2.609 1.102 -6.320) 6.925 4.526 ( 8.453 -0.059 -7.670) 11.414 4.656 ( 1.373 -4.380 1.424) 4.806 4.687 ( 0.330 -3.202 -0.791) 3.314 4.787 ( 1.894 0.663 -0.554) 2.082 4.893 ( -5.748 1.164 -2.942) 6.561 5.204 ( -0.669 0.379 -9.086) 9.118 5.473 ( -0.904 2.081 7.602) 7.933 5.543 ( -2.672 2.297 10.290) 10.877 5.722 ( 2.825 1.380 -3.645) 4.814 6.032 ( 2.582 -1.134 -1.604) 3.244 6.239 ( -5.384 3.556 5.841) 8.704 6.364 ( 1.233 1.120 3.247) 3.649 6.596 ( -5.434 -5.791 6.557) 10.299 6.831 ( 1.099 -2.349 -2.583) 3.660 6.989 ( -1.009 1.712 -1.071) 2.257 7.300 ( 1.431 2.082 5.000) 5.602 7.412 ( -1.287 5.595 -0.261) 5.747 7.592 ( 1.720 4.365 4.924) 6.801 7.794 ( -4.981 -2.093 -5.325) 7.586 7.895 ( 1.607 -1.625 7.179) 7.534 8.096 ( -3.270 -0.447 6.614) 7.391 8.354 ( 1.162 -2.283 -4.053) 4.795 8.812 ( -1.336 -1.281 4.856) 5.197 9.203 ( 1.262 0.207 -3.881) 4.086 10.076 ( 3.796 -3.427 2.033) 5.504 10.304 ( -1.561 -1.331 2.123) 2.952 10.320 ( -1.025 2.921 -0.133) 3.098 10.448 ( 3.581 2.672 0.617) 4.510 10.649 ( -7.042 -2.820 1.734) 7.781 10.748 ( 0.091 2.509 -3.623) 4.407 11.267 ( -5.882 -8.917 -0.117) 10.683 11.754 ( 8.284 4.616 4.636) 10.556 13.343 ( 5.575 2.395 -14.145) 15.391 14.269 ( 0.156 -1.310 0.823) 1.555 14.455 ( 0.887 -1.368 -0.678) 1.766 ======================= Grid point 73 (26/129) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -4.565 1.210 6.276) 7.855 1.439 ( -7.077 1.152 8.618) 11.211 1.762 ( 2.109 -2.481 -3.907) 5.086 2.138 ( 1.608 0.091 3.729) 4.062 2.284 ( -0.561 -0.286 -2.183) 2.272 2.518 ( 2.205 -0.114 -2.841) 3.599 2.774 ( 2.616 -3.902 -3.690) 5.974 2.951 ( -7.806 -1.904 -2.242) 8.342 2.999 ( -2.024 -1.098 1.291) 2.640 3.126 ( -0.611 6.389 -3.035) 7.100 3.344 ( 2.040 -5.069 -2.859) 6.166 3.484 ( -1.957 7.062 -2.526) 7.751 3.544 ( 4.354 2.345 0.694) 4.994 3.678 ( -1.801 0.951 1.846) 2.749 3.848 ( 1.412 -0.519 -1.036) 1.827 3.987 ( -3.115 0.743 0.642) 3.266 4.125 ( 1.958 -0.380 -6.013) 6.335 4.373 ( 2.065 -0.976 5.197) 5.677 4.403 ( 1.021 -3.267 -1.719) 3.830 4.605 ( 5.279 1.333 -5.592) 7.805 4.694 ( -5.256 0.646 -4.070) 6.679 4.743 ( 3.513 1.110 0.569) 3.728 4.785 ( 2.979 -5.085 0.057) 5.893 4.827 ( -0.135 -1.287 0.271) 1.322 5.147 ( -0.281 -1.055 -9.437) 9.500 5.459 ( -2.340 1.120 5.678) 6.243 5.537 ( -0.737 2.910 7.566) 8.140 5.760 ( 3.853 1.897 -2.084) 4.774 6.086 ( 3.456 1.445 2.122) 4.305 6.178 ( -1.067 1.053 3.724) 4.015 6.393 ( 2.053 2.318 2.935) 4.267 6.599 ( -6.174 -5.689 9.404) 12.606 6.869 ( 1.711 -2.777 -0.946) 3.396 6.962 ( -0.907 -0.801 -1.686) 2.075 7.295 ( -2.364 3.672 1.099) 4.503 7.376 ( 1.266 0.383 2.901) 3.188 7.586 ( 1.131 5.816 3.339) 6.801 7.687 ( -4.925 0.058 -5.460) 7.353 7.973 ( 2.029 -0.371 5.840) 6.194 8.104 ( -1.513 -1.478 7.948) 8.225 8.371 ( 0.630 -1.857 -3.137) 3.700 8.825 ( -1.396 -0.573 4.714) 4.950 9.198 ( 0.995 0.219 -3.999) 4.126 10.055 ( -3.342 5.748 -4.425) 7.987 10.280 ( -0.412 0.805 0.414) 0.995 10.316 ( -0.907 -1.625 1.122) 2.173 10.499 ( 3.960 2.231 1.095) 4.675 10.577 ( -4.898 -1.346 0.887) 5.156 10.803 ( 7.389 -1.191 2.118) 7.779 11.245 ( -6.467 -8.575 -0.751) 10.766 11.787 ( 1.297 8.827 1.745) 9.090 13.361 ( 3.681 -4.486 -10.948) 12.390 14.284 ( -0.457 -1.119 1.111) 1.642 14.472 ( 0.466 -0.201 -0.369) 0.627 ======================= Grid point 74 (27/129) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -11.168 7.048 4.551) 13.968 1.218 ( -15.236 6.757 3.683) 17.069 1.725 ( -9.385 4.028 4.933) 11.342 2.203 ( -4.093 -1.887 -3.293) 5.582 2.244 ( 0.437 -4.877 2.386) 5.447 2.532 ( 0.746 1.489 -2.112) 2.690 2.798 ( -4.098 -5.758 -0.300) 7.074 2.873 ( 0.680 0.315 -2.706) 2.807 3.008 ( 3.441 1.116 -0.220) 3.624 3.076 ( 3.141 1.832 -5.808) 6.853 3.343 ( 0.343 5.362 -3.537) 6.433 3.469 ( 1.020 -9.153 -2.731) 9.606 3.552 ( 2.275 5.844 1.692) 6.496 3.742 ( 4.333 -7.476 -0.845) 8.682 3.893 ( 2.023 0.722 -0.103) 2.150 3.938 ( -1.127 -0.140 -0.177) 1.149 4.107 ( -0.070 1.064 -3.753) 3.902 4.388 ( 1.041 1.811 3.982) 4.497 4.506 ( -8.015 3.965 -5.340) 10.415 4.535 ( 3.076 -7.061 1.414) 7.831 4.620 ( 0.582 1.717 -2.511) 3.097 4.807 ( 2.094 -0.356 0.332) 2.150 4.870 ( 6.458 0.125 -3.155) 7.188 4.923 ( 5.171 -4.291 0.896) 6.779 5.114 ( 0.328 -2.884 -10.762) 11.147 5.442 ( -2.171 0.646 5.051) 5.536 5.524 ( -1.445 2.487 3.764) 4.737 5.788 ( 1.991 2.052 2.879) 4.058 6.125 ( 2.143 3.773 3.364) 5.490 6.238 ( 5.140 -1.962 2.656) 6.110 6.420 ( 1.229 2.322 4.711) 5.394 6.613 ( -3.321 -3.926 11.077) 12.212 6.927 ( 1.343 -1.995 1.595) 2.886 6.951 ( -1.087 -3.082 -3.232) 4.596 7.215 ( -3.866 1.358 1.244) 4.283 7.416 ( 0.626 -1.092 0.127) 1.265 7.554 ( 2.213 9.769 1.989) 10.213 7.596 ( -2.910 -2.100 -2.090) 4.153 8.033 ( 1.374 0.314 5.707) 5.879 8.150 ( -0.259 -1.519 7.688) 7.841 8.375 ( 0.024 -1.090 -2.824) 3.027 8.831 ( -1.610 -0.292 6.473) 6.677 9.189 ( 0.966 0.427 -4.371) 4.496 9.899 ( -2.338 7.734 -5.389) 9.712 10.254 ( -1.788 1.694 -0.089) 2.465 10.315 ( -1.050 -0.593 0.909) 1.510 10.474 ( -5.164 -0.277 0.367) 5.184 10.587 ( 6.481 3.246 -0.548) 7.269 10.990 ( 7.352 -2.934 7.563) 10.948 11.211 ( -5.775 -7.363 -2.229) 9.619 11.660 ( -4.177 10.777 -0.965) 11.598 13.430 ( 1.857 -10.979 -11.522) 16.023 14.286 ( -1.208 -0.503 1.625) 2.086 14.470 ( -0.007 0.939 -0.286) 0.981 ======================= Grid point 75 (28/129) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -14.933 8.991 6.020) 18.441 0.883 ( -16.519 9.553 5.481) 19.854 1.411 ( -22.701 11.122 14.574) 29.179 2.053 ( -8.768 0.167 -5.170) 10.180 2.331 ( -0.618 -4.907 1.068) 5.060 2.462 ( -4.308 3.300 -2.130) 5.830 2.797 ( -2.175 -8.022 -0.186) 8.313 2.925 ( 4.926 0.020 -0.342) 4.938 3.070 ( 5.882 2.132 -4.816) 7.896 3.147 ( 8.597 -1.354 -3.633) 9.430 3.317 ( 2.671 3.179 -1.456) 4.400 3.564 ( 0.701 -8.553 -2.822) 9.034 3.584 ( 2.483 -1.353 4.025) 4.919 3.842 ( 1.632 0.823 -3.237) 3.717 3.895 ( 2.639 0.335 0.810) 2.780 3.978 ( 0.469 -3.473 -2.406) 4.251 4.103 ( 3.146 -2.021 -1.881) 4.186 4.314 ( -6.999 2.577 -2.316) 7.810 4.400 ( -0.778 0.955 2.254) 2.568 4.581 ( -0.083 3.798 -3.198) 4.965 4.635 ( 1.610 -3.706 0.775) 4.114 4.839 ( -0.137 -2.452 0.019) 2.456 4.939 ( 4.280 1.364 -7.253) 8.531 5.040 ( 5.182 -0.018 -0.716) 5.231 5.096 ( 1.943 -3.257 -12.940) 13.485 5.422 ( -2.991 0.881 6.633) 7.329 5.479 ( -2.393 1.636 -0.266) 2.911 5.838 ( 1.793 0.025 7.960) 8.159 6.139 ( 1.749 3.099 4.690) 5.887 6.378 ( 5.509 -2.400 3.463) 6.935 6.443 ( -0.934 -1.709 6.714) 6.991 6.710 ( 3.874 -2.190 10.685) 11.574 6.933 ( -3.102 -4.839 1.371) 5.909 6.962 ( 0.777 2.133 -1.025) 2.490 7.171 ( -1.574 -1.622 0.455) 2.306 7.406 ( -0.683 -0.032 -1.292) 1.462 7.516 ( 4.535 11.630 4.233) 13.182 7.622 ( -0.017 -7.110 1.289) 7.226 8.074 ( 0.786 2.181 6.501) 6.902 8.197 ( -0.211 -0.572 6.593) 6.621 8.363 ( -0.369 -0.612 -3.236) 3.314 8.869 ( -0.012 -2.306 12.326) 12.540 9.177 ( 1.315 0.730 -4.587) 4.827 9.792 ( 2.952 9.530 -3.495) 10.571 10.185 ( -4.035 1.841 0.528) 4.467 10.301 ( -1.338 0.039 0.916) 1.623 10.403 ( -2.267 1.170 0.075) 2.553 10.681 ( 8.692 3.490 -0.053) 9.367 11.124 ( -6.155 -6.977 7.764) 12.118 11.196 ( 3.648 -1.185 -2.508) 4.583 11.462 ( -5.632 9.062 -1.378) 10.759 13.468 ( -4.839 -14.999 -19.703) 25.231 14.268 ( -2.118 0.383 1.871) 2.852 14.454 ( 0.171 1.918 -0.623) 2.024 ======================= Grid point 76 (29/129) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -13.609 6.688 13.970) 20.618 0.561 ( -13.658 11.296 13.052) 22.012 0.992 ( -24.190 9.694 28.063) 38.297 1.882 ( -6.557 1.037 -4.366) 7.946 2.294 ( -1.746 3.439 -5.818) 6.980 2.379 ( -4.199 -2.559 3.258) 5.899 2.879 ( 1.272 -7.745 0.390) 7.858 2.985 ( 1.027 0.193 0.868) 1.359 3.109 ( 5.421 3.692 -3.789) 7.574 3.295 ( 5.189 -2.911 -3.933) 7.132 3.346 ( 7.438 2.266 -4.260) 8.865 3.605 ( -1.796 -4.237 -0.432) 4.622 3.671 ( -1.534 -4.259 3.606) 5.788 3.843 ( 2.473 4.582 0.303) 5.216 3.924 ( 1.173 -3.556 -4.600) 5.931 3.959 ( 1.004 1.295 -0.091) 1.641 4.208 ( 0.747 0.609 -0.130) 0.972 4.240 ( 1.349 -4.749 2.301) 5.447 4.356 ( -2.772 0.139 -4.435) 5.232 4.511 ( -1.015 4.567 -2.885) 5.497 4.672 ( 0.483 -0.487 -1.435) 1.590 4.819 ( -6.734 -1.463 2.630) 7.376 4.904 ( 0.674 1.337 -9.346) 9.466 5.088 ( 3.107 1.425 -4.354) 5.535 5.116 ( 6.119 -0.270 -11.334) 12.883 5.401 ( -3.329 -0.292 6.861) 7.631 5.424 ( -1.951 1.402 1.258) 2.712 5.909 ( 2.483 -0.069 2.092) 3.247 6.177 ( -0.226 1.107 8.504) 8.579 6.492 ( 1.933 -0.958 3.041) 3.729 6.540 ( 2.729 -10.565 8.020) 13.542 6.793 ( -2.245 -4.207 -2.066) 5.197 6.902 ( -2.165 4.748 -1.542) 5.441 7.046 ( 5.264 -7.482 5.619) 10.736 7.180 ( 1.377 2.091 0.864) 2.649 7.406 ( -0.622 -0.365 1.286) 1.474 7.599 ( 13.228 3.191 10.172) 16.989 7.720 ( 0.164 -10.300 0.885) 10.340 8.079 ( 0.045 5.806 6.190) 8.487 8.219 ( -1.110 0.483 5.109) 5.250 8.344 ( -0.102 -0.176 -3.797) 3.803 9.102 ( 7.963 -14.455 14.751) 22.135 9.186 ( 2.647 -3.651 4.307) 6.236 9.765 ( 8.973 17.498 -3.753) 20.019 10.181 ( 10.384 -0.120 13.558) 17.078 10.293 ( 0.237 0.288 2.695) 2.721 10.384 ( 1.294 0.335 4.359) 4.560 10.814 ( 11.477 5.124 1.192) 12.625 11.054 ( -9.930 -5.867 0.782) 11.560 11.259 ( 2.630 2.460 0.156) 3.605 11.310 ( -4.574 2.806 1.638) 5.611 13.168 ( -34.228 -7.047 -43.555) 55.841 14.232 ( -2.290 0.783 1.912) 3.084 14.426 ( -0.056 3.078 -1.516) 3.431 ======================= Grid point 78 (30/129) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 10.988 0.000 12.779) 16.854 0.957 ( 11.162 0.000 15.602) 19.184 1.497 ( 12.709 0.000 18.210) 22.206 2.062 ( 13.616 0.000 -5.425) 14.657 2.292 ( 6.625 0.000 -6.679) 9.408 2.391 ( -1.652 -0.000 0.859) 1.862 2.743 ( -8.574 -0.000 -3.890) 9.415 2.989 ( -0.710 -0.000 0.702) 0.999 3.135 ( 2.010 0.000 1.460) 2.485 3.280 ( -6.957 -0.000 -7.768) 10.428 3.411 ( -0.802 -0.000 -4.945) 5.010 3.429 ( -3.428 -0.000 7.860) 8.574 3.637 ( 4.123 0.000 5.402) 6.796 3.897 ( -1.019 -0.000 1.788) 2.058 3.998 ( -4.931 -0.000 3.174) 5.865 4.110 ( 0.757 0.000 -4.797) 4.856 4.192 ( 1.904 0.000 -2.932) 3.496 4.294 ( -2.896 -0.000 0.039) 2.896 4.437 ( -5.382 -0.000 -2.516) 5.941 4.450 ( 3.086 0.000 -4.989) 5.867 4.600 ( -1.249 -0.000 -3.169) 3.406 4.655 ( -0.228 -0.000 -5.368) 5.373 4.752 ( 7.437 0.000 -7.290) 10.414 5.006 ( -3.350 -0.000 -2.982) 4.485 5.267 ( 1.016 0.000 -7.685) 7.752 5.484 ( 0.091 0.000 11.262) 11.263 5.486 ( 3.792 0.000 4.195) 5.655 5.885 ( -16.530 -0.000 5.500) 17.421 5.968 ( 2.879 0.000 -6.755) 7.343 6.277 ( 0.128 0.000 9.114) 9.115 6.472 ( -2.376 -0.000 4.754) 5.315 6.551 ( -9.460 -0.000 4.403) 10.434 6.784 ( 0.723 0.000 -3.467) 3.542 7.093 ( -0.716 -0.000 -5.163) 5.213 7.302 ( -0.726 -0.000 7.442) 7.478 7.575 ( 2.549 0.000 5.392) 5.964 7.599 ( -4.175 -0.000 7.000) 8.150 7.746 ( -0.033 -0.000 -0.343) 0.344 7.833 ( -2.209 -0.000 3.578) 4.205 8.138 ( -4.264 -0.000 4.258) 6.026 8.309 ( 2.216 0.000 -6.120) 6.509 8.789 ( -3.876 -0.000 7.638) 8.565 9.207 ( 1.704 0.000 -3.946) 4.298 9.834 ( 7.285 0.000 3.149) 7.936 10.311 ( -4.608 -0.000 4.323) 6.318 10.371 ( 0.871 0.000 2.051) 2.229 10.431 ( 2.047 0.000 2.313) 3.088 10.704 ( -6.469 -0.000 2.512) 6.939 10.932 ( -5.592 -0.000 -3.262) 6.474 11.143 ( -5.730 -0.000 -2.102) 6.104 11.608 ( 14.531 0.000 6.840) 16.060 13.397 ( 12.149 0.000 -24.675) 27.504 14.236 ( 0.642 0.000 0.953) 1.149 14.399 ( 1.353 0.000 -1.037) 1.705 ======================= Grid point 79 (31/129) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 9.619 -3.201 9.249) 13.722 1.214 ( 7.655 -3.145 12.948) 15.367 1.720 ( 4.042 -0.288 7.116) 8.189 2.219 ( 6.225 2.975 -3.666) 7.813 2.327 ( 0.654 3.590 -2.597) 4.478 2.404 ( 5.567 -4.128 -5.654) 8.944 2.619 ( -4.174 -4.325 -4.489) 7.502 2.957 ( -2.984 -0.847 0.290) 3.116 3.096 ( -8.403 0.560 -4.777) 9.682 3.192 ( 0.547 -2.438 -0.533) 2.555 3.357 ( -1.452 3.826 0.459) 4.118 3.481 ( 2.675 -1.716 7.515) 8.159 3.699 ( 0.597 3.813 3.934) 5.511 3.812 ( -2.060 4.252 0.263) 4.732 3.980 ( -4.043 -3.729 2.943) 6.238 4.047 ( 1.115 8.219 -5.579) 9.996 4.183 ( 0.484 4.180 -3.678) 5.589 4.246 ( -1.712 -0.321 -2.778) 3.278 4.385 ( -2.367 -7.820 -1.721) 8.350 4.479 ( 4.047 -0.832 -9.033) 9.933 4.555 ( -1.593 -4.776 -4.039) 6.455 4.694 ( 3.054 1.376 5.224) 6.206 4.800 ( 3.148 0.295 -6.576) 7.296 4.917 ( -4.587 0.846 -3.122) 5.613 5.215 ( -1.111 0.492 -8.409) 8.496 5.523 ( -1.714 2.568 9.862) 10.334 5.563 ( -1.116 -0.434 11.637) 11.698 5.739 ( 0.412 0.372 -4.600) 4.633 6.015 ( 4.886 -0.486 -2.105) 5.342 6.314 ( -2.815 3.052 8.985) 9.898 6.388 ( -4.632 1.347 3.327) 5.859 6.498 ( -2.748 -3.833 4.534) 6.542 6.795 ( 1.778 -1.027 -3.475) 4.037 7.028 ( -2.466 1.628 -3.391) 4.498 7.320 ( -1.311 0.201 6.740) 6.869 7.520 ( -3.299 4.670 -0.500) 5.739 7.603 ( -3.069 -2.297 5.686) 6.858 7.794 ( -0.607 1.709 0.717) 1.950 7.852 ( 3.440 -2.503 6.560) 7.819 8.093 ( -3.685 0.047 5.357) 6.503 8.321 ( 2.340 -0.875 -5.812) 6.326 8.793 ( -0.613 -0.565 4.884) 4.954 9.208 ( 1.165 0.251 -3.710) 3.897 10.000 ( 7.004 -2.761 4.312) 8.675 10.284 ( -1.427 -0.587 2.539) 2.971 10.379 ( -0.100 2.041 1.001) 2.275 10.492 ( 4.588 1.354 0.393) 4.800 10.610 ( -6.584 -1.001 1.578) 6.844 10.816 ( -1.473 3.928 -4.480) 6.138 11.066 ( -7.153 -8.472 -2.192) 11.302 11.863 ( 11.971 3.930 8.181) 15.022 13.373 ( 0.920 0.676 -18.397) 18.432 14.251 ( 0.454 -0.465 0.269) 0.703 14.429 ( 1.829 -0.943 -0.737) 2.186 ======================= Grid point 80 (32/129) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 2.438 1.111 7.445) 7.913 1.410 ( 2.812 -3.765 9.574) 10.665 1.722 ( -4.116 -0.662 -1.372) 4.389 2.172 ( -3.043 2.448 1.670) 4.247 2.311 ( 1.159 3.414 -3.129) 4.774 2.505 ( 5.506 -1.879 -5.617) 8.087 2.649 ( 1.824 -7.445 -4.594) 8.937 2.874 ( -8.661 -3.593 -2.808) 9.788 2.981 ( -2.320 -1.698 -1.812) 3.398 3.218 ( -0.672 -4.777 -2.163) 5.287 3.284 ( -1.351 7.749 2.207) 8.170 3.550 ( -0.167 0.807 1.931) 2.099 3.627 ( -1.942 4.974 2.692) 5.979 3.801 ( 1.726 6.548 0.749) 6.812 3.933 ( 2.029 7.317 -3.780) 8.482 3.984 ( -2.779 -0.155 1.878) 3.358 4.125 ( 2.343 1.307 -4.538) 5.272 4.240 ( -0.667 -5.572 -0.679) 5.653 4.430 ( 0.796 -0.891 0.637) 1.354 4.517 ( 0.643 -6.652 -6.805) 9.537 4.621 ( 3.096 -7.437 0.283) 8.061 4.749 ( 1.135 2.528 -7.409) 7.910 4.797 ( 2.581 1.433 2.906) 4.143 4.824 ( -1.840 0.304 -2.403) 3.042 5.146 ( -0.897 0.711 -7.628) 7.713 5.488 ( -3.812 1.514 7.153) 8.245 5.594 ( -0.320 2.813 8.769) 9.215 5.780 ( 4.300 -0.067 -2.818) 5.141 6.108 ( 5.800 0.847 1.559) 6.065 6.221 ( -3.797 2.806 4.175) 6.302 6.401 ( -1.677 -1.816 7.437) 7.837 6.527 ( 0.378 -1.144 4.610) 4.765 6.819 ( 1.179 -2.012 -2.428) 3.367 6.959 ( -2.642 0.227 -2.158) 3.419 7.332 ( -1.440 -0.593 4.619) 4.875 7.404 ( -4.888 3.280 0.229) 5.891 7.595 ( -2.813 -1.704 1.956) 3.826 7.748 ( -2.204 2.641 2.043) 4.001 7.967 ( 4.018 -0.149 3.768) 5.510 8.083 ( -1.715 -0.608 7.755) 7.965 8.342 ( 2.380 -0.895 -4.450) 5.125 8.816 ( -0.284 -0.269 4.025) 4.044 9.204 ( 1.043 0.293 -3.746) 3.900 10.117 ( 1.505 0.205 0.620) 1.640 10.292 ( 0.197 -0.295 1.848) 1.882 10.325 ( -1.562 3.533 -1.211) 4.049 10.520 ( -4.162 -0.343 2.292) 4.764 10.573 ( 4.999 1.359 -0.819) 5.245 10.810 ( 5.430 1.344 0.858) 5.659 11.032 ( -6.421 -10.802 -2.860) 12.887 11.993 ( 5.903 9.716 5.957) 12.835 13.266 ( -3.904 -4.485 -14.646) 15.807 14.264 ( 0.166 -0.832 0.186) 0.869 14.463 ( 1.467 -0.579 -0.354) 1.616 ======================= Grid point 81 (33/129) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -5.402 7.008 5.768) 10.562 1.360 ( -10.952 6.994 4.854) 13.872 1.712 ( -0.562 -5.101 -0.998) 5.228 2.142 ( -2.786 -2.713 2.234) 4.485 2.247 ( -2.831 3.124 -1.724) 4.555 2.561 ( 2.760 0.754 -2.252) 3.641 2.680 ( -6.011 -4.909 1.699) 7.945 2.815 ( 0.866 -6.031 -6.787) 9.121 2.992 ( 1.876 -1.582 1.002) 2.650 3.183 ( -0.947 6.645 -1.634) 6.908 3.264 ( 0.948 -7.207 -3.425) 8.036 3.477 ( -2.160 5.963 -2.652) 6.874 3.631 ( 2.045 -2.872 0.510) 3.563 3.695 ( -3.213 6.408 -0.925) 7.228 3.928 ( 2.887 2.151 -2.633) 4.460 3.969 ( 2.084 4.063 3.698) 5.876 4.134 ( 1.394 1.980 -3.808) 4.513 4.353 ( 2.301 -10.686 2.593) 11.234 4.435 ( -0.350 2.496 3.360) 4.200 4.520 ( -5.133 -4.191 -3.790) 7.634 4.636 ( -0.475 2.369 -7.068) 7.470 4.772 ( 4.065 -5.680 -2.994) 7.599 4.805 ( 0.867 -2.603 -1.884) 3.328 4.909 ( 7.568 0.618 1.875) 7.821 5.093 ( 0.212 0.870 -6.897) 6.955 5.459 ( -2.122 0.845 4.508) 5.053 5.584 ( -1.715 3.488 5.110) 6.420 5.822 ( 1.699 0.859 1.068) 2.183 6.194 ( 4.986 0.102 1.055) 5.097 6.218 ( 2.739 2.789 3.530) 5.267 6.412 ( -4.996 -2.366 9.562) 11.045 6.594 ( 4.583 1.271 5.794) 7.496 6.850 ( -1.456 -4.366 0.089) 4.603 6.920 ( 0.595 -1.029 -3.198) 3.411 7.265 ( -5.195 3.316 0.772) 6.211 7.363 ( -2.562 -3.316 3.256) 5.306 7.562 ( -2.495 -0.406 -0.652) 2.610 7.703 ( -1.077 3.466 3.478) 5.027 8.028 ( 1.126 -0.695 3.104) 3.375 8.128 ( 1.217 -0.355 6.900) 7.015 8.368 ( 2.376 0.285 -2.825) 3.702 8.829 ( -0.892 0.154 4.573) 4.662 9.198 ( 1.153 0.448 -3.879) 4.072 10.048 ( -1.384 6.625 -4.603) 8.185 10.278 ( -1.178 1.067 -0.375) 1.633 10.318 ( 0.676 0.711 1.559) 1.842 10.460 ( -4.390 -0.883 1.983) 4.897 10.653 ( 7.194 2.896 -1.549) 7.908 10.931 ( -0.063 -5.186 7.809) 9.374 11.051 ( 3.451 -5.321 -3.444) 7.217 11.925 ( -1.668 14.603 1.111) 14.739 13.195 ( -5.633 -12.296 -12.705) 18.557 14.274 ( -0.157 -0.645 0.663) 0.938 14.482 ( 0.663 0.266 -0.143) 0.728 ======================= Grid point 82 (34/129) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -11.681 11.601 4.587) 17.090 1.093 ( -11.252 10.824 6.573) 16.940 1.637 ( -9.921 8.437 5.894) 14.295 2.059 ( -7.314 -0.195 -4.011) 8.344 2.234 ( 0.075 -2.929 4.472) 5.347 2.542 ( -1.311 4.343 -2.656) 5.257 2.641 ( -4.706 -7.363 3.285) 9.335 2.881 ( 2.296 -4.886 -2.748) 6.057 3.080 ( 6.292 -0.572 -2.472) 6.784 3.140 ( 2.985 1.142 -0.671) 3.266 3.343 ( 0.547 -3.983 -4.091) 5.736 3.414 ( 2.554 -1.646 -1.459) 3.371 3.605 ( -1.538 2.645 -1.592) 3.449 3.726 ( 3.077 -7.313 -3.312) 8.598 3.937 ( 1.614 -0.025 -1.485) 2.193 4.001 ( 3.472 5.388 4.189) 7.657 4.109 ( 0.851 2.271 -1.744) 2.987 4.333 ( -7.790 0.504 -4.153) 8.842 4.447 ( -2.746 1.593 3.337) 4.606 4.515 ( 2.604 -7.507 1.456) 8.078 4.613 ( 0.565 0.078 -3.762) 3.805 4.796 ( 0.234 -1.765 -1.567) 2.372 4.904 ( 3.123 -4.253 -5.090) 7.332 5.019 ( 3.701 -2.522 -4.548) 6.383 5.084 ( 5.566 2.068 -4.303) 7.333 5.441 ( -1.856 0.908 4.137) 4.624 5.527 ( -3.027 3.150 1.629) 4.662 5.847 ( 0.416 0.266 4.945) 4.970 6.233 ( 3.202 6.208 1.268) 7.099 6.325 ( 5.671 -3.397 2.708) 7.144 6.386 ( -6.980 -2.850 10.688) 13.080 6.710 ( 5.447 1.075 4.580) 7.198 6.835 ( -2.342 -3.863 0.072) 4.518 6.993 ( 5.450 -1.500 -0.121) 5.654 7.156 ( -4.662 1.290 0.923) 4.924 7.358 ( -4.098 -4.512 1.161) 6.205 7.523 ( -3.101 -0.857 1.690) 3.635 7.687 ( 1.537 3.702 3.394) 5.252 8.069 ( 0.058 -1.811 3.877) 4.280 8.192 ( 2.479 -0.161 3.950) 4.666 8.379 ( 1.716 2.180 -1.871) 3.346 8.840 ( -1.308 -0.508 7.012) 7.151 9.193 ( 1.465 0.762 -3.784) 4.129 9.968 ( 4.162 7.617 -4.005) 9.560 10.227 ( -2.908 2.223 0.114) 3.662 10.307 ( -1.588 0.693 1.418) 2.240 10.426 ( -0.553 0.955 0.644) 1.278 10.754 ( 9.492 3.133 -0.987) 10.044 10.950 ( -7.845 -9.227 3.784) 12.689 11.204 ( 8.910 1.571 3.971) 9.880 11.699 ( -6.009 14.434 -2.654) 15.858 13.148 ( -9.498 -16.683 -14.955) 24.335 14.275 ( -0.723 0.226 1.231) 1.446 14.482 ( 0.355 0.911 -0.263) 1.013 ======================= Grid point 83 (35/129) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -9.965 13.172 10.164) 19.394 0.840 ( -8.833 14.692 10.862) 20.294 1.318 ( -14.498 20.021 15.568) 29.213 1.917 ( -5.058 2.104 -3.666) 6.591 2.287 ( -1.659 -4.301 5.201) 6.950 2.422 ( -2.189 6.954 -5.835) 9.337 2.704 ( -0.663 -8.564 4.600) 9.743 2.951 ( 1.504 -4.487 -0.855) 4.809 3.154 ( 5.610 -0.212 -6.671) 8.719 3.242 ( 4.852 -1.135 0.752) 5.039 3.349 ( 1.365 -2.768 -1.767) 3.556 3.526 ( 2.992 -5.987 -0.020) 6.693 3.567 ( -1.303 -0.933 -0.306) 1.632 3.819 ( 2.150 -6.805 -6.745) 9.819 3.944 ( 1.497 3.054 -2.799) 4.405 4.011 ( 1.675 4.970 2.294) 5.725 4.136 ( 3.652 -3.384 -2.043) 5.382 4.211 ( -4.526 -0.895 2.013) 5.034 4.384 ( -4.210 1.474 1.504) 4.707 4.575 ( -0.317 1.381 -2.020) 2.467 4.630 ( 1.689 -3.572 0.247) 3.958 4.795 ( -2.620 -0.432 1.389) 2.997 4.898 ( -0.360 -1.778 -11.558) 11.700 5.089 ( 5.058 -2.219 -5.815) 8.020 5.142 ( 5.670 2.351 -6.448) 8.902 5.417 ( -3.259 1.673 6.430) 7.401 5.453 ( -1.999 1.738 -0.712) 2.743 5.893 ( 0.627 -1.822 5.858) 6.166 6.232 ( 1.533 4.767 4.149) 6.503 6.344 ( -8.218 -5.449 12.544) 15.956 6.460 ( 2.651 -2.865 2.736) 4.766 6.722 ( -3.252 -2.859 -1.862) 4.713 6.943 ( 6.679 -1.481 0.021) 6.841 7.018 ( 0.590 4.151 0.464) 4.218 7.174 ( 4.265 -2.561 1.258) 5.131 7.345 ( -4.468 -7.624 2.981) 9.326 7.478 ( -7.045 -3.550 5.672) 9.716 7.729 ( 4.638 1.985 2.229) 5.515 8.104 ( -0.614 -2.024 3.087) 3.742 8.250 ( 2.029 0.883 1.917) 2.928 8.361 ( 0.781 2.871 -2.663) 3.993 8.888 ( -1.816 -4.973 11.779) 12.914 9.191 ( 1.396 1.020 -3.570) 3.967 9.994 ( 6.589 6.569 -7.100) 11.704 10.188 ( 3.247 1.160 6.395) 7.265 10.299 ( 1.260 0.330 4.106) 4.307 10.411 ( 0.056 2.212 0.645) 2.305 10.886 ( -1.625 -4.701 0.921) 5.059 10.935 ( 5.780 0.643 2.771) 6.442 11.313 ( 2.860 3.296 5.626) 7.120 11.456 ( -3.931 11.285 -3.751) 12.525 12.977 ( -16.644 -11.498 -22.482) 30.243 14.256 ( -1.290 1.445 1.577) 2.497 14.475 ( 0.488 1.448 -1.254) 1.977 ======================= Grid point 84 (36/129) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -0.567 11.355 16.394) 19.950 0.658 ( -1.566 16.359 14.829) 22.135 1.054 ( -4.037 18.460 28.785) 34.433 1.833 ( 1.233 2.797 -3.812) 4.886 2.294 ( -1.218 3.224 -3.825) 5.149 2.338 ( 1.126 0.067 2.408) 2.659 2.812 ( -0.064 -9.159 3.952) 9.975 2.983 ( -0.976 -0.141 0.132) 0.995 3.216 ( 4.313 2.595 -1.554) 5.267 3.271 ( 0.268 -4.341 -5.077) 6.685 3.433 ( 3.574 -3.742 -4.083) 6.592 3.553 ( -1.706 0.301 -1.479) 2.278 3.586 ( -3.384 -3.613 1.992) 5.336 3.820 ( 0.037 -1.628 -3.342) 3.717 3.991 ( 5.697 -1.233 -2.137) 6.208 4.019 ( 2.443 0.324 1.876) 3.097 4.173 ( -3.105 0.936 4.233) 5.332 4.252 ( 3.838 -7.991 -3.547) 9.549 4.339 ( 0.230 0.983 3.372) 3.520 4.531 ( 1.074 4.207 -2.492) 5.007 4.668 ( 0.384 -0.138 -1.712) 1.760 4.716 ( -5.981 1.459 2.342) 6.587 4.843 ( -0.521 -0.759 -12.161) 12.196 5.110 ( 0.759 1.382 -5.640) 5.856 5.198 ( 7.809 1.178 -8.997) 11.972 5.378 ( -2.126 0.037 4.495) 4.973 5.430 ( -1.240 0.971 4.409) 4.682 5.948 ( 2.207 -1.223 -2.107) 3.287 6.219 ( -2.278 3.187 7.877) 8.798 6.366 ( -13.440 -15.767 17.796) 27.312 6.495 ( -2.063 -1.401 2.828) 3.770 6.717 ( 1.271 -3.657 -2.175) 4.441 6.870 ( -5.010 5.793 -4.605) 8.937 7.102 ( 3.269 -2.214 -3.007) 4.963 7.242 ( 1.237 1.365 2.125) 2.812 7.393 ( 0.035 -2.327 3.143) 3.910 7.479 ( -6.633 -16.400 10.133) 20.387 7.804 ( 2.951 -1.030 0.780) 3.221 8.091 ( -3.669 2.324 -1.536) 4.606 8.225 ( -3.908 2.084 3.432) 5.604 8.340 ( 1.580 1.515 -5.455) 5.878 8.968 ( -10.348 -11.857 14.286) 21.255 9.174 ( 1.305 1.265 -5.098) 5.412 9.884 ( -2.122 10.422 -7.239) 12.866 10.274 ( 0.785 -2.351 1.564) 2.930 10.388 ( 0.330 2.450 0.662) 2.559 10.543 ( 0.066 -14.090 13.794) 19.718 10.858 ( -1.305 -5.931 1.104) 6.172 11.042 ( -2.242 2.805 1.990) 4.106 11.279 ( -3.852 2.069 2.325) 4.952 11.374 ( 3.744 7.952 0.790) 8.825 12.704 ( 16.010 11.196 -24.072) 31.002 14.229 ( -0.770 1.746 1.831) 2.644 14.446 ( -0.195 2.913 -2.528) 3.862 ======================= Grid point 87 (37/129) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 8.846 0.000 5.929) 10.649 1.352 ( 2.663 0.000 10.443) 10.777 1.720 ( -6.514 -0.000 3.022) 7.181 2.204 ( -6.043 -0.000 0.485) 6.062 2.394 ( 5.172 0.000 -7.403) 9.030 2.447 ( 2.420 0.000 -4.185) 4.835 2.553 ( 4.539 0.000 -4.600) 6.462 2.840 ( -9.610 -0.000 -0.962) 9.658 2.955 ( -2.241 -0.000 -5.200) 5.662 3.172 ( -1.721 -0.000 -1.991) 2.632 3.370 ( -1.848 -0.000 4.018) 4.423 3.550 ( 2.167 0.000 3.565) 4.171 3.741 ( -6.769 -0.000 2.585) 7.245 3.810 ( 5.503 0.000 4.472) 7.091 3.927 ( -1.519 -0.000 -0.455) 1.586 4.110 ( 3.083 0.000 -6.509) 7.202 4.176 ( -2.841 -0.000 -3.514) 4.518 4.181 ( -2.500 -0.000 -3.502) 4.303 4.346 ( 4.243 0.000 2.338) 4.845 4.446 ( -0.035 -0.000 -7.580) 7.581 4.545 ( 2.446 0.000 3.209) 4.035 4.781 ( 0.268 0.000 -10.379) 10.382 4.796 ( 4.540 0.000 1.166) 4.687 4.836 ( -2.824 -0.000 -1.676) 3.284 5.157 ( -0.791 -0.000 -6.654) 6.701 5.505 ( -5.017 -0.000 7.891) 9.351 5.631 ( 0.160 0.000 11.357) 11.358 5.771 ( 4.471 0.000 -4.931) 6.656 6.118 ( 6.988 0.000 2.227) 7.334 6.258 ( -6.980 -0.000 1.706) 7.185 6.367 ( -2.090 -0.000 11.082) 11.277 6.524 ( 3.604 0.000 2.169) 4.206 6.798 ( 0.724 0.000 -3.163) 3.245 6.963 ( -3.542 -0.000 -2.399) 4.278 7.320 ( -2.460 -0.000 5.798) 6.298 7.447 ( -6.087 -0.000 -0.880) 6.150 7.575 ( -1.123 -0.000 1.260) 1.688 7.765 ( -5.092 -0.000 7.099) 8.736 7.968 ( 5.311 0.000 1.988) 5.671 8.078 ( -1.572 -0.000 7.835) 7.992 8.334 ( 3.337 0.000 -5.252) 6.223 8.814 ( 0.306 0.000 3.727) 3.740 9.207 ( 0.989 0.000 -3.633) 3.765 10.109 ( 3.948 0.000 2.637) 4.748 10.287 ( 0.641 0.000 2.190) 2.282 10.378 ( -1.951 -0.000 -1.005) 2.194 10.515 ( -4.838 -0.000 2.344) 5.376 10.591 ( 6.375 0.000 -2.585) 6.879 10.853 ( 6.057 0.000 -2.509) 6.556 10.882 ( -7.586 -0.000 0.566) 7.607 12.101 ( 7.870 0.000 7.368) 10.780 13.215 ( -7.618 -0.000 -16.664) 18.323 14.255 ( 0.384 0.000 -0.193) 0.429 14.456 ( 1.983 0.000 -0.343) 2.012 ======================= Grid point 88 (38/129) ======================= q-point: (-0.62 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.386 5.975 6.297) 8.690 1.455 ( -0.646 1.152 5.325) 5.487 1.593 ( -5.874 -4.575 -0.066) 7.445 2.102 ( -6.287 -1.209 1.096) 6.495 2.341 ( -1.350 6.043 -3.151) 6.947 2.492 ( -0.677 -6.486 -2.062) 6.840 2.656 ( 4.524 0.897 -1.396) 4.819 2.704 ( -3.143 -3.667 -2.596) 5.483 2.949 ( 2.549 -2.029 -3.096) 4.494 3.128 ( -2.525 -2.777 -3.747) 5.303 3.351 ( 0.229 4.519 2.997) 5.428 3.556 ( -1.283 1.702 -1.396) 2.548 3.626 ( -3.963 2.259 0.081) 4.562 3.815 ( -5.583 5.075 -1.403) 7.674 3.930 ( 0.219 -0.255 0.858) 0.922 4.094 ( -0.269 2.664 1.813) 3.234 4.148 ( 1.791 -4.960 -0.592) 5.306 4.183 ( 4.350 0.926 -2.683) 5.194 4.425 ( -0.134 -2.341 -1.886) 3.009 4.465 ( 2.730 -0.900 1.237) 3.129 4.629 ( 2.950 -4.076 1.996) 5.413 4.696 ( -1.355 0.803 -10.858) 10.971 4.775 ( 0.208 -1.020 -5.824) 5.916 4.912 ( 5.899 -0.013 1.298) 6.040 5.120 ( 0.392 1.104 -4.089) 4.254 5.469 ( -2.754 0.230 4.356) 5.159 5.655 ( -2.115 3.023 8.503) 9.269 5.813 ( 1.567 -1.299 -1.622) 2.603 6.190 ( -0.068 0.328 0.926) 0.984 6.258 ( 6.220 0.035 2.729) 6.792 6.383 ( -3.024 -0.045 9.773) 10.230 6.620 ( 6.024 0.859 4.679) 7.676 6.781 ( -2.100 -2.104 -1.883) 3.519 6.907 ( -1.277 -0.322 -2.107) 2.485 7.304 ( -3.078 -0.864 3.117) 4.465 7.334 ( -5.652 1.512 0.277) 5.857 7.558 ( -1.615 -0.084 0.457) 1.680 7.719 ( -4.733 -0.517 7.192) 8.625 8.015 ( 0.027 -0.441 2.028) 2.076 8.132 ( 2.360 0.353 5.939) 6.401 8.377 ( 4.329 0.379 -3.100) 5.338 8.835 ( -0.080 0.271 3.456) 3.468 9.205 ( 1.187 0.188 -3.666) 3.858 10.133 ( -0.071 1.825 -2.766) 3.314 10.314 ( -1.183 2.020 -1.237) 2.648 10.328 ( 1.665 0.172 1.315) 2.129 10.455 ( -4.140 0.511 3.148) 5.226 10.673 ( 5.200 -1.215 -5.786) 7.874 10.815 ( -3.996 -3.348 5.598) 7.650 11.017 ( 11.621 -0.166 2.861) 11.969 12.176 ( 1.650 8.696 2.889) 9.311 12.982 ( -12.194 -7.478 -15.131) 20.822 14.264 ( 0.517 -0.297 0.042) 0.598 14.483 ( 1.181 -0.005 -0.066) 1.183 ======================= Grid point 89 (39/129) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -8.962 10.946 3.950) 14.688 1.287 ( -6.911 8.122 6.141) 12.306 1.674 ( 2.034 -3.827 0.697) 4.390 2.020 ( -6.499 -3.182 -1.181) 7.332 2.250 ( -2.294 3.511 2.284) 4.776 2.513 ( -3.401 -5.045 4.605) 7.631 2.627 ( -1.452 1.777 -0.367) 2.323 2.774 ( 2.313 -2.896 -0.975) 3.832 3.041 ( 6.077 -2.945 -1.202) 6.859 3.129 ( 1.255 -5.357 -6.231) 8.313 3.312 ( 1.793 6.702 -0.145) 6.939 3.481 ( -2.359 4.286 -1.076) 5.009 3.595 ( -0.608 -4.381 -3.556) 5.676 3.664 ( -4.215 2.297 -0.874) 4.880 3.929 ( 0.487 -0.672 -2.019) 2.183 4.072 ( -3.083 -0.556 3.960) 5.050 4.178 ( 3.123 3.183 -1.626) 4.746 4.304 ( 1.237 -3.516 3.119) 4.860 4.408 ( -0.022 -0.909 -4.301) 4.396 4.459 ( -2.132 1.733 0.492) 2.791 4.619 ( 0.349 -0.149 -4.112) 4.129 4.743 ( 1.891 -4.650 -3.738) 6.259 4.813 ( 4.699 -3.190 -2.660) 6.271 4.997 ( 3.393 0.186 -2.223) 4.060 5.112 ( 2.696 0.571 -2.976) 4.056 5.452 ( -1.225 0.231 2.154) 2.488 5.602 ( -3.566 4.188 4.245) 6.948 5.830 ( -1.374 -1.973 2.056) 3.163 6.251 ( 4.016 -3.437 1.771) 5.575 6.337 ( -1.197 -0.092 6.737) 6.844 6.372 ( 1.585 4.940 2.178) 5.627 6.721 ( -0.038 -0.294 0.244) 0.384 6.782 ( 3.144 -1.340 4.934) 6.002 6.927 ( 3.271 -3.724 -1.617) 5.213 7.212 ( -4.943 3.243 0.486) 5.932 7.281 ( -4.599 -2.744 2.038) 5.730 7.524 ( -3.396 0.062 1.971) 3.927 7.702 ( -2.010 -0.915 5.826) 6.231 8.030 ( -0.953 -1.690 3.307) 3.835 8.192 ( 2.461 0.123 2.350) 3.405 8.426 ( 3.938 2.056 -1.662) 4.743 8.843 ( -0.720 0.574 4.225) 4.324 9.205 ( 1.492 0.413 -3.470) 3.800 10.083 ( 1.804 3.919 -5.527) 7.011 10.269 ( -1.234 1.844 -0.421) 2.259 10.334 ( -1.699 2.298 1.817) 3.386 10.433 ( 0.662 -0.398 1.734) 1.898 10.735 ( 0.276 -5.864 -2.092) 6.232 10.849 ( 3.156 0.298 4.060) 5.151 11.238 ( 10.651 1.546 7.077) 12.881 12.009 ( -5.195 16.079 -3.741) 17.307 12.821 ( -11.881 -16.073 -13.169) 23.936 14.276 ( 0.425 -0.021 0.643) 0.771 14.494 ( 0.356 0.364 -0.009) 0.509 ======================= Grid point 90 (40/129) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -7.497 13.185 7.747) 17.031 1.119 ( -5.261 13.227 8.848) 16.760 1.641 ( -3.863 10.188 3.851) 11.556 1.935 ( -4.248 -1.147 -2.183) 4.912 2.230 ( -1.938 -0.796 6.563) 6.889 2.531 ( -2.813 -0.611 4.185) 5.079 2.588 ( 1.223 1.249 0.346) 1.782 2.821 ( -1.176 -6.854 0.835) 7.004 3.157 ( 1.807 0.191 -3.607) 4.039 3.182 ( 6.557 -3.614 -0.963) 7.548 3.328 ( 3.155 -0.214 -4.678) 5.647 3.425 ( -0.281 -1.047 1.441) 1.803 3.578 ( -0.460 -0.487 -2.837) 2.915 3.677 ( 2.095 -6.421 -3.789) 7.744 3.946 ( 1.148 -2.491 -3.614) 4.537 4.051 ( -3.341 -2.480 4.834) 6.378 4.167 ( 0.837 5.714 -6.046) 8.361 4.242 ( -1.451 4.647 2.589) 5.513 4.381 ( -4.875 -1.297 -0.474) 5.067 4.514 ( 3.736 -4.637 2.569) 6.485 4.615 ( -0.228 0.225 -0.422) 0.529 4.787 ( 2.350 -1.432 -3.983) 4.841 4.865 ( -0.080 -0.959 -6.339) 6.412 5.040 ( 4.499 -1.927 -3.418) 5.970 5.156 ( 3.319 -0.928 -4.381) 5.574 5.443 ( -0.556 0.735 1.907) 2.118 5.509 ( -3.919 3.993 1.300) 5.744 5.838 ( -3.055 -3.642 4.999) 6.899 6.300 ( -6.539 -0.204 9.109) 11.215 6.365 ( 3.317 7.932 -0.316) 8.604 6.379 ( 3.211 -5.070 2.410) 6.467 6.681 ( -2.985 -1.270 -1.267) 3.483 6.914 ( 7.861 -1.212 0.259) 7.959 7.061 ( 4.000 -7.462 2.182) 8.743 7.105 ( -3.275 3.814 -0.402) 5.043 7.231 ( -5.247 -3.017 1.656) 6.275 7.457 ( -6.665 -0.490 4.213) 7.900 7.732 ( 0.760 -0.855 4.732) 4.868 8.051 ( -1.353 -2.783 3.261) 4.496 8.242 ( 1.854 -0.935 0.286) 2.096 8.439 ( 2.049 4.021 -1.887) 4.891 8.850 ( -1.297 0.008 6.042) 6.180 9.208 ( 1.468 0.682 -3.152) 3.544 10.076 ( 3.895 2.468 -6.958) 8.347 10.227 ( -0.556 2.463 1.261) 2.822 10.312 ( 0.752 1.155 4.609) 4.811 10.450 ( 0.756 1.120 -0.933) 1.642 10.755 ( -5.275 -5.966 3.398) 8.658 10.972 ( 9.679 1.147 1.028) 9.800 11.381 ( 2.757 3.133 7.741) 8.794 11.729 ( -3.392 15.805 -5.423) 17.050 12.720 ( -9.128 -14.458 -14.240) 22.252 14.280 ( -0.101 0.927 1.174) 1.499 14.492 ( 0.124 0.522 -0.318) 0.623 ======================= Grid point 91 (41/129) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.630 14.025 11.282) 18.011 0.975 ( -0.776 15.631 12.901) 20.282 1.457 ( -2.612 18.782 11.441) 22.147 1.887 ( 0.793 1.658 -2.680) 3.250 2.250 ( -1.988 -2.326 6.870) 7.521 2.470 ( 1.345 7.643 -3.702) 8.598 2.652 ( -0.274 -6.208 6.390) 8.913 2.908 ( 1.203 -8.592 1.901) 8.882 3.144 ( -1.574 -1.726 -4.712) 5.259 3.307 ( 1.270 -6.378 -3.000) 7.161 3.324 ( 2.609 3.164 -0.008) 4.101 3.494 ( 1.844 -3.959 2.435) 5.001 3.581 ( 0.994 0.458 -3.464) 3.633 3.747 ( 1.487 -5.236 -5.647) 7.843 3.964 ( 0.453 -3.525 -5.500) 6.549 4.078 ( 1.889 -1.311 -5.442) 5.908 4.080 ( -1.741 -0.257 5.639) 5.907 4.221 ( -0.116 3.902 2.782) 4.794 4.335 ( -1.638 -1.995 1.816) 3.156 4.579 ( -0.969 1.046 1.988) 2.446 4.632 ( 2.091 -2.472 0.687) 3.309 4.778 ( -1.656 3.837 -3.200) 5.263 4.813 ( 0.569 -2.100 -10.891) 11.106 5.110 ( 1.711 -1.410 -3.946) 4.526 5.200 ( 5.289 -1.471 -6.633) 8.610 5.409 ( -3.656 3.066 3.780) 6.088 5.448 ( 0.332 0.893 -0.292) 0.996 5.857 ( -4.279 -6.651 6.428) 10.192 6.233 ( -7.305 0.005 9.254) 11.790 6.321 ( -0.339 6.839 2.772) 7.387 6.451 ( -1.522 -3.252 2.197) 4.209 6.665 ( 0.955 -1.605 -1.481) 2.384 6.962 ( -4.586 3.200 -4.526) 7.195 7.057 ( 1.487 -2.695 -2.818) 4.173 7.203 ( 0.889 -8.904 6.078) 10.817 7.246 ( 4.207 -1.409 -0.276) 4.446 7.367 ( -7.180 -2.229 6.422) 9.888 7.781 ( 0.720 -1.021 4.239) 4.419 8.068 ( -1.976 -2.916 1.568) 3.856 8.254 ( -2.191 -0.174 0.278) 2.215 8.401 ( 0.899 4.667 -3.645) 5.989 8.862 ( -2.966 -1.265 8.171) 8.784 9.201 ( 0.921 1.208 -3.808) 4.100 10.032 ( 0.007 5.280 -6.384) 8.284 10.236 ( 0.730 -1.035 1.133) 1.699 10.390 ( -0.265 -2.285 5.845) 6.281 10.446 ( 2.263 1.354 1.498) 3.033 10.741 ( -2.647 -5.742 1.654) 6.535 11.078 ( 0.488 1.074 2.134) 2.439 11.331 ( -7.349 2.817 2.742) 8.334 11.591 ( 5.139 13.569 -0.429) 14.516 12.712 ( 9.114 -6.900 -15.062) 18.909 14.268 ( -0.366 1.927 1.487) 2.461 14.482 ( -0.210 0.965 -1.144) 1.512 ======================= Grid point 92 (42/129) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 6.467 10.990 12.178) 17.633 0.938 ( 6.009 15.076 13.054) 20.828 1.393 ( 5.944 14.221 17.971) 23.675 1.919 ( 7.455 1.926 -3.607) 8.503 2.274 ( -1.070 -2.028 2.800) 3.619 2.419 ( 3.137 6.298 -2.791) 7.569 2.759 ( 0.852 -7.672 4.932) 9.161 2.957 ( -2.910 2.338 0.061) 3.733 3.167 ( 1.011 -12.564 -1.583) 12.704 3.278 ( -1.247 3.994 0.005) 4.184 3.386 ( 0.269 -5.273 -3.902) 6.565 3.496 ( -4.134 3.798 -6.662) 8.712 3.569 ( 1.704 -0.656 4.656) 5.001 3.793 ( 0.842 -4.074 -3.025) 5.144 3.982 ( -1.647 -7.091 -4.072) 8.341 4.057 ( -0.264 1.246 3.667) 3.882 4.158 ( -0.635 -0.687 5.128) 5.212 4.235 ( 4.549 -4.139 -5.160) 8.028 4.356 ( 0.702 -0.933 0.163) 1.179 4.580 ( 2.181 -0.738 -2.297) 3.252 4.660 ( -1.564 1.264 2.741) 3.400 4.690 ( 0.500 2.978 -5.964) 6.685 4.768 ( -0.640 1.247 -8.846) 8.956 5.079 ( -1.780 0.355 -5.594) 5.881 5.264 ( 3.904 -0.194 -8.041) 8.941 5.388 ( -0.173 -1.275 7.828) 7.933 5.451 ( 1.441 1.492 0.577) 2.153 5.879 ( -6.672 -8.830 5.445) 12.334 6.128 ( -9.111 1.979 5.016) 10.587 6.269 ( -1.896 3.566 7.041) 8.117 6.430 ( -5.057 -2.676 3.313) 6.612 6.708 ( -0.524 -0.709 -0.076) 0.885 6.814 ( -1.421 2.815 -5.270) 6.141 7.062 ( -2.784 -2.116 0.602) 3.548 7.239 ( -2.423 -1.325 2.955) 4.045 7.370 ( 2.826 -8.789 2.861) 9.665 7.423 ( 3.909 -3.716 3.924) 6.670 7.816 ( -0.434 -0.671 4.726) 4.793 8.026 ( -4.574 1.847 -3.146) 5.850 8.180 ( -5.326 1.245 5.059) 7.451 8.360 ( 1.401 2.910 -5.068) 6.009 8.845 ( -5.302 -0.119 8.818) 10.290 9.188 ( 1.911 0.739 -4.515) 4.959 9.941 ( 1.138 8.455 -1.952) 8.752 10.276 ( 1.238 -2.266 1.850) 3.177 10.370 ( -3.961 -0.565 2.821) 4.896 10.446 ( -3.824 -0.068 3.898) 5.461 10.800 ( -1.103 -4.389 -1.988) 4.943 11.007 ( -9.056 2.841 5.898) 11.174 11.235 ( 1.779 -2.791 1.097) 3.487 11.531 ( 2.630 13.478 -0.276) 13.735 13.027 ( 24.430 -8.328 -17.810) 31.358 14.252 ( -0.045 2.039 1.447) 2.501 14.453 ( -0.250 2.056 -1.557) 2.591 ======================= Grid point 96 (43/129) ======================= q-point: (-0.62 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -8.979 -0.000 4.417) 10.007 1.403 ( -6.035 -0.000 4.968) 7.817 1.588 ( 7.479 0.000 0.729) 7.514 1.980 ( -6.641 -0.000 -0.498) 6.660 2.304 ( -5.390 -0.000 0.836) 5.454 2.455 ( 0.269 0.000 3.640) 3.650 2.606 ( -3.707 -0.000 2.279) 4.352 2.785 ( 5.960 0.000 -0.496) 5.981 2.997 ( 7.160 0.000 -4.996) 8.730 3.063 ( 0.386 0.000 -5.724) 5.737 3.418 ( 2.441 0.000 2.837) 3.743 3.525 ( -3.255 -0.000 -0.673) 3.324 3.546 ( -3.390 -0.000 -3.599) 4.944 3.713 ( -7.786 -0.000 -1.518) 7.932 3.957 ( 0.453 0.000 -0.009) 0.453 3.961 ( -7.457 -0.000 2.265) 7.793 4.213 ( 1.764 0.000 0.059) 1.765 4.285 ( 7.362 0.000 2.432) 7.753 4.410 ( -0.437 -0.000 -1.377) 1.445 4.519 ( 0.947 0.000 -8.273) 8.327 4.604 ( 0.111 0.000 -5.509) 5.510 4.655 ( 1.078 0.000 2.538) 2.758 4.792 ( 4.938 0.000 -4.002) 6.356 5.004 ( 4.627 0.000 -0.955) 4.724 5.115 ( 0.123 0.000 -2.842) 2.844 5.453 ( -0.999 -0.000 1.556) 1.849 5.659 ( -4.320 -0.000 7.310) 8.491 5.795 ( -1.636 -0.000 -0.985) 1.910 6.213 ( 2.610 0.000 0.965) 2.783 6.328 ( -2.667 -0.000 8.734) 9.132 6.440 ( 6.437 0.000 -1.388) 6.585 6.710 ( -3.073 -0.000 -1.421) 3.386 6.773 ( 6.798 0.000 7.773) 10.326 6.885 ( 0.307 0.000 -2.221) 2.242 7.252 ( -4.975 -0.000 0.136) 4.977 7.252 ( -3.866 -0.000 1.401) 4.112 7.521 ( -4.544 -0.000 3.854) 5.958 7.689 ( -2.000 -0.000 6.167) 6.483 8.012 ( -1.259 -0.000 2.941) 3.200 8.194 ( 1.918 0.000 2.269) 2.970 8.448 ( 4.689 0.000 -1.785) 5.017 8.851 ( -0.385 -0.000 3.395) 3.417 9.209 ( 1.486 0.000 -3.408) 3.718 10.121 ( 0.618 0.000 -5.906) 5.938 10.288 ( -1.443 -0.000 -0.882) 1.691 10.386 ( 3.147 0.000 0.341) 3.166 10.409 ( -3.751 -0.000 3.033) 4.824 10.659 ( -0.248 -0.000 0.661) 0.706 10.860 ( 5.398 0.000 1.963) 5.744 11.255 ( 11.114 0.000 8.111) 13.759 12.234 ( -1.362 -0.000 -2.106) 2.508 12.598 ( -16.098 -0.000 -14.734) 21.823 14.276 ( 0.836 0.000 0.412) 0.932 14.497 ( 0.414 0.000 0.056) 0.417 ======================= Grid point 98 (44/129) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -6.516 6.663 6.716) 11.488 1.332 ( -3.065 7.028 7.531) 10.747 1.712 ( 4.639 -0.835 -1.318) 4.894 1.885 ( -4.938 -2.363 -1.062) 5.576 2.239 ( -3.446 0.687 6.770) 7.627 2.483 ( -1.149 -0.913 6.493) 6.657 2.587 ( -2.443 -3.608 2.929) 5.250 2.813 ( -0.393 4.385 1.763) 4.742 3.090 ( 5.109 -1.948 -5.767) 7.947 3.149 ( 10.534 -3.690 -6.942) 13.144 3.385 ( -2.072 6.272 0.032) 6.605 3.461 ( -3.377 1.232 0.415) 3.619 3.529 ( 0.627 -2.651 -1.790) 3.260 3.611 ( -1.884 -0.717 0.661) 2.122 3.873 ( -4.979 -3.598 0.204) 6.147 3.977 ( -1.397 -3.981 -0.123) 4.221 4.224 ( -0.314 0.508 1.592) 1.701 4.354 ( -1.365 5.703 -2.796) 6.496 4.401 ( -0.560 1.987 -10.082) 10.291 4.448 ( 5.507 -2.528 2.387) 6.512 4.616 ( 0.101 1.408 1.551) 2.097 4.716 ( 1.510 -5.240 -1.583) 5.679 4.860 ( 4.143 0.121 -4.220) 5.915 5.041 ( 2.205 1.727 -2.385) 3.679 5.116 ( 0.968 -2.566 -3.068) 4.116 5.452 ( 0.563 0.215 -0.560) 0.822 5.592 ( -4.687 3.588 4.083) 7.177 5.761 ( -4.355 -3.389 1.737) 5.785 6.286 ( 2.435 -2.618 2.096) 4.144 6.305 ( -4.104 -0.165 7.492) 8.544 6.512 ( 5.615 5.564 -3.212) 8.532 6.665 ( -1.908 -0.623 -1.039) 2.260 6.896 ( 4.882 -0.675 -1.074) 5.044 6.932 ( 2.429 -4.234 3.679) 6.113 7.166 ( -3.814 1.891 0.305) 4.268 7.195 ( -3.812 -0.924 1.053) 4.062 7.444 ( -7.736 -0.636 5.410) 9.461 7.718 ( 0.913 -0.352 5.687) 5.770 8.009 ( -1.641 -1.239 2.809) 3.481 8.227 ( 0.875 -0.427 0.907) 1.331 8.497 ( 2.904 1.578 -2.216) 3.979 8.859 ( -0.657 0.462 3.954) 4.034 9.217 ( 1.487 0.214 -2.974) 3.331 10.106 ( 2.418 0.698 -7.143) 7.573 10.266 ( -0.425 1.061 0.223) 1.164 10.352 ( -1.290 2.683 3.465) 4.568 10.439 ( 1.208 -2.028 -2.066) 3.137 10.675 ( -2.791 -1.898 5.651) 6.582 10.984 ( 8.327 0.202 0.106) 8.330 11.425 ( 2.452 1.208 8.961) 9.368 12.057 ( -3.005 16.577 -7.137) 18.296 12.415 ( -6.989 -15.869 -10.648) 20.348 14.292 ( 0.608 0.260 0.922) 1.135 14.499 ( -0.049 0.180 -0.020) 0.187 ======================= Grid point 99 (45/129) ======================= q-point: (-0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.523 11.366 8.948) 14.475 1.258 ( 0.220 12.020 10.789) 16.153 1.704 ( -0.955 5.991 0.004) 6.067 1.868 ( -0.245 -3.333 -0.850) 3.448 2.242 ( -0.964 1.051 8.698) 8.815 2.511 ( -2.055 -2.642 8.190) 8.848 2.624 ( 1.694 -2.988 -0.740) 3.513 2.753 ( -2.768 0.443 2.660) 3.864 3.156 ( 1.085 -0.600 -2.577) 2.860 3.214 ( 0.546 0.283 -6.076) 6.107 3.391 ( 3.325 2.509 -0.998) 4.283 3.439 ( 4.939 -1.270 2.077) 5.506 3.566 ( 1.635 -1.582 -0.625) 2.360 3.642 ( 1.833 -4.469 -1.625) 5.097 3.837 ( -5.008 -6.949 -2.941) 9.056 4.001 ( 0.330 -3.060 0.399) 3.103 4.186 ( -0.961 4.466 -4.230) 6.226 4.267 ( -2.834 -3.064 -1.985) 4.621 4.338 ( 0.902 6.556 0.384) 6.629 4.588 ( 4.242 -1.777 -0.008) 4.599 4.596 ( -0.428 1.124 3.915) 4.096 4.756 ( -0.135 -3.879 -6.379) 7.467 4.848 ( -0.067 2.897 -4.533) 5.380 5.073 ( 2.669 -1.490 -2.735) 4.102 5.149 ( 1.995 -3.225 -3.700) 5.299 5.461 ( 1.681 0.647 -1.608) 2.414 5.489 ( -4.333 4.350 1.947) 6.441 5.735 ( -5.831 -5.497 4.416) 9.150 6.254 ( -4.479 1.185 6.015) 7.592 6.367 ( -0.247 -4.125 2.141) 4.654 6.481 ( 0.251 7.881 -1.113) 7.964 6.649 ( 0.662 -0.229 -0.684) 0.978 6.963 ( -4.752 -3.075 -1.713) 5.914 7.003 ( 5.335 -1.952 -3.689) 6.774 7.122 ( 1.073 -0.320 1.713) 2.047 7.196 ( 1.680 -2.997 2.376) 4.177 7.334 ( -9.443 -1.042 5.673) 11.065 7.771 ( 1.019 -0.018 6.218) 6.301 8.011 ( -1.892 -2.415 2.032) 3.680 8.239 ( -1.016 -0.840 0.759) 1.521 8.486 ( 0.534 3.318 -3.354) 4.748 8.863 ( -1.058 0.697 4.989) 5.147 9.218 ( 0.919 0.569 -3.074) 3.259 10.100 ( 2.171 1.747 -6.576) 7.142 10.248 ( 0.296 2.139 0.774) 2.294 10.367 ( 0.227 -0.354 4.973) 4.991 10.459 ( 1.688 -0.540 -2.520) 3.081 10.646 ( -4.980 -3.418 2.833) 6.671 11.091 ( 2.115 0.352 2.496) 3.291 11.378 ( -9.349 1.748 3.049) 9.988 11.889 ( 5.680 16.067 -2.610) 17.240 12.505 ( 7.542 -13.145 -9.025) 17.639 14.298 ( 0.052 0.979 1.344) 1.664 14.494 ( -0.165 0.374 -0.329) 0.525 ======================= Grid point 100 (46/129) ======================= q-point: (-0.25 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 4.581 12.077 8.626) 15.532 1.231 ( 4.346 14.068 12.571) 19.360 1.630 ( 0.173 7.789 4.682) 9.089 1.923 ( 4.596 -2.262 -2.006) 5.501 2.253 ( -1.533 1.117 6.544) 6.814 2.542 ( 1.012 3.088 2.821) 4.303 2.645 ( 0.611 -1.631 2.078) 2.711 2.843 ( 2.327 -13.564 3.623) 14.231 3.072 ( -4.115 3.534 -2.526) 5.984 3.248 ( 0.462 -5.371 -2.367) 5.888 3.373 ( -0.045 3.966 -1.443) 4.220 3.551 ( 2.302 -0.620 3.111) 3.919 3.572 ( 0.515 3.075 -3.179) 4.453 3.730 ( 5.163 -2.340 -4.517) 7.248 3.815 ( -4.651 -8.917 -2.839) 10.450 4.050 ( 0.403 -2.869 1.084) 3.093 4.139 ( 3.196 1.424 -3.591) 5.013 4.250 ( -0.835 -1.112 -0.347) 1.433 4.315 ( 0.034 1.595 1.599) 2.259 4.562 ( -1.729 -1.232 0.116) 2.126 4.684 ( 3.572 1.330 1.205) 3.998 4.707 ( -2.107 -0.646 -8.660) 8.936 4.808 ( 0.538 2.120 -2.729) 3.497 5.075 ( -1.391 -0.689 -5.031) 5.265 5.222 ( 3.583 -3.798 -3.641) 6.366 5.401 ( -2.633 2.598 3.270) 4.937 5.478 ( 2.349 1.023 -1.815) 3.140 5.720 ( -6.341 -6.624 6.274) 11.110 6.186 ( -4.829 2.551 3.291) 6.376 6.363 ( -2.749 3.535 1.216) 4.640 6.378 ( -5.756 -0.738 1.824) 6.084 6.695 ( 3.779 -0.465 0.221) 3.814 6.860 ( -3.850 1.984 -3.258) 5.420 7.040 ( 0.098 -0.182 -0.474) 0.517 7.205 ( -3.867 -2.557 2.446) 5.241 7.245 ( 1.994 -3.510 2.016) 4.512 7.315 ( 3.823 -6.794 2.270) 8.119 7.816 ( 0.479 0.558 6.693) 6.733 8.006 ( -2.526 -2.250 0.197) 3.389 8.206 ( -4.217 0.705 2.714) 5.064 8.429 ( 0.032 3.654 -4.426) 5.739 8.858 ( -2.119 1.148 5.933) 6.404 9.206 ( 0.934 0.853 -3.816) 4.020 10.073 ( 1.908 4.576 -3.651) 6.157 10.255 ( 1.382 0.578 1.467) 2.097 10.368 ( -1.931 0.510 2.445) 3.158 10.444 ( -3.712 -0.337 0.619) 3.778 10.685 ( 2.085 -6.507 -0.855) 6.886 11.068 ( -7.809 2.616 6.329) 10.386 11.197 ( -5.751 -1.077 -1.205) 5.974 11.827 ( 4.554 15.932 -1.239) 16.616 12.823 ( 18.730 -12.073 -9.311) 24.151 14.290 ( -0.237 1.626 1.509) 2.231 14.481 ( -0.179 0.919 -0.694) 1.166 ======================= Grid point 101 (47/129) ======================= q-point: (-0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 6.391 9.184 9.444) 14.642 1.261 ( 6.794 12.584 11.843) 18.568 1.637 ( 4.534 3.587 4.379) 7.253 2.040 ( 7.024 -2.336 -2.133) 7.704 2.246 ( -1.394 -0.673 2.738) 3.146 2.517 ( 2.184 5.990 -2.229) 6.755 2.724 ( 0.233 -5.575 2.156) 5.982 2.963 ( -1.017 4.942 2.358) 5.570 3.064 ( 2.219 -13.434 3.129) 13.971 3.279 ( -1.198 1.350 -0.545) 1.885 3.311 ( -1.417 -4.327 -3.776) 5.916 3.458 ( -1.325 6.491 -8.624) 10.875 3.609 ( -1.009 -0.514 5.899) 6.006 3.751 ( -2.694 -2.540 -2.482) 4.457 3.838 ( 0.427 -4.449 -1.775) 4.809 4.052 ( -1.425 -0.671 0.419) 1.629 4.199 ( 1.101 -3.787 -5.240) 6.559 4.236 ( 0.013 5.533 4.926) 7.408 4.369 ( 5.342 -6.511 -2.174) 8.698 4.541 ( -0.708 -0.963 -9.322) 9.398 4.668 ( 0.270 0.009 -0.726) 0.775 4.707 ( 1.305 2.057 0.984) 2.628 4.775 ( 1.033 3.756 -2.552) 4.657 4.999 ( -4.420 -0.101 -4.701) 6.454 5.248 ( 0.656 -0.765 -8.105) 8.167 5.414 ( -0.184 -1.781 8.781) 8.962 5.505 ( 1.544 -0.148 1.748) 2.337 5.711 ( -4.708 -5.043 3.817) 7.885 6.075 ( -3.195 3.691 -2.441) 5.458 6.280 ( -5.206 -0.352 4.833) 7.113 6.339 ( -2.037 -1.189 2.657) 3.553 6.699 ( -2.770 4.680 2.866) 6.147 6.834 ( 2.689 0.642 -1.777) 3.286 7.005 ( -2.985 -0.194 0.422) 3.021 7.211 ( 0.872 -4.020 3.986) 5.728 7.351 ( 1.593 -5.915 0.502) 6.147 7.463 ( 4.413 -6.150 1.260) 7.674 7.852 ( 0.502 1.068 6.766) 6.869 7.943 ( -5.107 1.587 -2.912) 6.090 8.134 ( -4.772 1.039 6.017) 7.750 8.383 ( 0.885 2.713 -4.210) 5.086 8.833 ( -2.535 1.763 5.784) 6.557 9.200 ( 1.498 0.307 -4.054) 4.333 10.053 ( 3.097 5.513 0.190) 6.326 10.293 ( 1.354 -1.075 1.525) 2.306 10.337 ( -1.989 1.334 2.436) 3.416 10.403 ( -1.415 -1.833 -0.009) 2.316 10.731 ( -1.704 -2.792 -1.739) 3.705 10.857 ( -10.897 2.872 -0.344) 11.275 11.276 ( 3.486 -5.643 6.392) 9.212 11.708 ( 1.904 13.791 -2.007) 14.066 13.178 ( 15.108 -9.303 -12.361) 21.624 14.277 ( -0.090 1.749 1.319) 2.192 14.465 ( 0.201 1.473 -0.804) 1.690 ======================= Grid point 106 (48/129) ======================= q-point: ( 0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -0.146 0.000 8.531) 8.533 1.392 ( 0.394 0.000 10.493) 10.500 1.748 ( -0.195 0.000 -3.781) 3.786 1.815 ( -0.489 -0.000 -0.031) 0.490 2.258 ( 0.487 0.000 9.343) 9.356 2.485 ( -2.378 0.000 5.352) 5.857 2.537 ( -2.751 -0.000 5.543) 6.188 2.817 ( -2.891 -0.000 0.711) 2.978 3.139 ( 4.197 0.000 -6.342) 7.604 3.239 ( 2.405 0.000 -9.845) 10.135 3.410 ( 6.428 -0.000 4.566) 7.885 3.447 ( 1.601 0.000 0.667) 1.735 3.539 ( 1.820 -0.000 1.780) 2.546 3.598 ( -1.680 -0.000 3.149) 3.569 3.760 ( -4.884 0.000 -0.707) 4.935 3.949 ( 1.094 0.000 -2.819) 3.023 4.215 ( -1.641 0.000 1.999) 2.586 4.264 ( -3.784 0.000 -12.148) 12.723 4.412 ( 1.856 0.000 -0.055) 1.856 4.571 ( 6.069 0.000 -0.675) 6.106 4.636 ( -0.025 0.000 0.430) 0.431 4.677 ( -1.036 -0.000 0.694) 1.247 4.880 ( 0.387 0.000 -5.343) 5.357 5.068 ( 1.277 0.000 -3.055) 3.311 5.101 ( 1.929 0.000 -2.163) 2.898 5.467 ( 2.032 0.000 -2.835) 3.488 5.552 ( -4.943 0.000 3.822) 6.248 5.662 ( -5.377 -0.000 1.652) 5.625 6.269 ( -3.732 0.000 5.385) 6.551 6.316 ( 0.380 0.000 2.338) 2.369 6.579 ( -0.870 0.000 -3.021) 3.143 6.647 ( 0.828 0.000 -0.521) 0.979 6.921 ( 2.377 0.000 -1.375) 2.746 6.975 ( 3.182 -0.000 -3.632) 4.828 7.127 ( -1.498 0.000 0.552) 1.596 7.162 ( -1.124 0.000 4.772) 4.902 7.324 ( -8.922 0.000 4.825) 10.143 7.773 ( 1.319 0.000 7.025) 7.147 7.985 ( -1.833 0.000 1.788) 2.561 8.230 ( -0.817 0.000 1.193) 1.446 8.520 ( 0.551 0.000 -3.421) 3.465 8.872 ( -0.677 0.000 4.143) 4.198 9.224 ( 0.944 0.000 -2.867) 3.018 10.115 ( 2.616 0.000 -6.541) 7.044 10.282 ( 0.909 0.000 0.400) 0.993 10.365 ( -0.040 0.000 4.530) 4.531 10.441 ( 1.929 -0.000 -3.463) 3.964 10.614 ( -6.470 -0.000 3.150) 7.196 11.094 ( 2.688 0.000 2.677) 3.794 11.396 ( -10.022 0.000 3.143) 10.503 12.177 ( 4.047 -0.000 -6.560) 7.708 12.246 ( 9.044 0.000 -4.095) 9.928 14.307 ( 0.216 0.000 1.311) 1.329 14.497 ( -0.138 0.000 -0.142) 0.198 ======================= Grid point 108 (49/129) ======================= q-point: (-0.38 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 4.041 7.197 6.893) 10.754 1.454 ( 2.972 7.019 13.289) 15.319 1.692 ( -3.835 -0.159 -0.708) 3.903 1.851 ( 3.135 -3.227 -1.350) 4.697 2.315 ( 1.178 4.158 6.925) 8.163 2.492 ( -0.946 -4.070 6.667) 7.868 2.584 ( 1.499 -7.632 2.823) 8.274 2.737 ( -3.757 3.129 -0.543) 4.919 3.144 ( -2.080 2.343 -2.875) 4.252 3.172 ( -0.038 -1.752 -5.042) 5.338 3.456 ( -1.662 3.541 0.240) 3.919 3.572 ( 4.846 2.561 3.640) 6.580 3.609 ( 4.535 -0.125 2.149) 5.020 3.651 ( 2.237 -4.560 0.004) 5.079 3.699 ( 3.646 -1.811 -4.021) 5.722 3.989 ( 1.971 -3.628 -0.135) 4.131 4.147 ( -2.504 -0.493 -8.498) 8.873 4.196 ( -1.680 -0.552 -0.325) 1.798 4.428 ( 1.713 5.377 0.448) 5.662 4.534 ( -3.716 -1.154 -2.399) 4.571 4.659 ( -2.434 -2.345 -2.523) 4.218 4.727 ( 5.840 1.143 0.707) 5.993 4.835 ( -0.841 0.737 -3.193) 3.383 5.061 ( -0.462 -0.490 -4.505) 4.555 5.152 ( 3.212 -2.422 -1.301) 4.228 5.464 ( -2.880 2.889 0.382) 4.097 5.490 ( 0.437 0.216 -0.931) 1.051 5.618 ( -3.511 -3.567 2.976) 5.823 6.224 ( -3.926 1.434 3.293) 5.321 6.315 ( -3.376 -2.364 1.885) 4.532 6.463 ( -7.183 2.899 -2.475) 8.132 6.689 ( 3.970 -0.211 0.654) 4.029 6.917 ( -0.364 3.807 -0.541) 3.862 7.032 ( 4.486 -1.609 -6.945) 8.423 7.157 ( 0.077 -1.617 2.696) 3.144 7.173 ( -4.251 -3.894 8.859) 10.570 7.228 ( -0.233 -0.967 -0.806) 1.280 7.831 ( 0.867 0.641 8.205) 8.276 7.967 ( -1.871 -1.296 0.715) 2.385 8.211 ( -2.736 0.024 2.404) 3.642 8.484 ( -1.008 1.539 -4.327) 4.702 8.878 ( -1.225 0.623 4.699) 4.896 9.218 ( 0.620 0.308 -3.339) 3.410 10.119 ( 1.870 0.695 -5.187) 5.557 10.291 ( 1.497 1.789 0.365) 2.361 10.396 ( 0.673 2.409 3.586) 4.372 10.434 ( -3.706 -0.656 -0.871) 3.863 10.565 ( 0.703 -4.816 -0.139) 4.869 11.102 ( -4.242 0.855 6.728) 8.000 11.186 ( -11.666 -0.182 -3.023) 12.053 12.129 ( 3.809 12.842 -3.799) 13.923 12.575 ( 18.771 -11.354 -3.546) 22.222 14.312 ( -0.274 0.547 1.693) 1.800 14.493 ( -0.073 0.291 -0.336) 0.450 ======================= Grid point 109 (50/129) ======================= q-point: (-0.25 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 4.266 9.675 6.423) 12.372 1.488 ( 2.006 9.388 13.426) 16.505 1.646 ( -1.376 -2.755 -0.736) 3.166 1.966 ( 5.789 -4.254 -0.993) 7.252 2.288 ( -0.418 5.065 3.156) 5.982 2.603 ( 3.010 -4.956 6.499) 8.710 2.630 ( -2.273 3.483 -3.090) 5.181 2.777 ( 4.817 -14.086 1.342) 14.947 3.059 ( -1.918 4.249 1.421) 4.873 3.195 ( 0.403 -4.425 -2.772) 5.237 3.355 ( -4.994 2.549 -1.864) 5.908 3.536 ( -4.280 0.656 -7.950) 9.052 3.634 ( 1.494 3.012 1.418) 3.649 3.720 ( 3.384 2.101 4.286) 5.851 3.834 ( 6.099 1.929 -1.891) 6.670 4.044 ( 0.815 -0.245 -1.312) 1.564 4.151 ( 2.513 -2.513 -4.521) 5.751 4.182 ( 0.118 -8.422 -1.248) 8.515 4.355 ( -2.707 4.407 1.296) 5.332 4.524 ( 1.301 -0.833 -3.360) 3.698 4.622 ( -1.916 -2.709 -0.998) 3.464 4.774 ( 2.697 3.320 -0.544) 4.311 4.828 ( 1.605 1.203 -1.562) 2.543 4.999 ( -3.973 0.090 -4.902) 6.310 5.216 ( 2.238 -2.336 -4.673) 5.684 5.408 ( -1.310 1.375 4.586) 4.963 5.493 ( -1.545 -1.218 2.330) 3.050 5.635 ( 0.699 -2.646 0.170) 2.742 6.133 ( -5.172 2.201 -0.072) 5.621 6.260 ( -5.987 -1.391 0.654) 6.182 6.342 ( -2.753 0.732 1.019) 3.026 6.778 ( 4.177 1.683 2.328) 5.069 6.861 ( -0.598 3.999 2.100) 4.556 7.024 ( -3.588 1.577 -1.565) 4.220 7.126 ( 0.095 -4.422 2.863) 5.268 7.263 ( 1.451 -2.876 1.173) 3.428 7.325 ( 5.079 -7.025 -0.605) 8.690 7.875 ( 0.465 1.315 7.285) 7.417 7.944 ( -3.022 -0.936 0.192) 3.169 8.159 ( -4.594 1.107 4.622) 6.610 8.430 ( -0.148 1.829 -4.200) 4.584 8.865 ( -2.199 1.308 4.980) 5.599 9.208 ( 0.943 0.379 -3.805) 3.938 10.106 ( 0.256 0.354 -4.043) 4.066 10.308 ( 1.348 1.701 0.814) 2.318 10.359 ( -2.205 -1.121 -1.031) 2.679 10.392 ( -0.759 3.458 4.099) 5.416 10.650 ( 1.098 -4.954 -2.062) 5.477 10.932 ( -9.502 4.189 -0.273) 10.388 11.150 ( -0.184 -6.107 6.562) 8.966 11.997 ( -1.333 13.524 -4.406) 14.286 12.985 ( 18.452 -9.493 -5.890) 21.571 14.307 ( -0.466 1.082 1.844) 2.188 14.485 ( -0.075 0.626 -0.488) 0.797 ======================= Grid point 110 (51/129) ======================= q-point: (-0.12 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -1.383 5.301 6.577) 8.560 1.482 ( -2.159 5.571 12.385) 13.751 1.708 ( 5.418 -2.257 -3.152) 6.662 2.077 ( 3.192 -1.611 0.953) 3.700 2.278 ( 2.537 2.052 -0.155) 3.266 2.544 ( -1.882 2.359 -2.864) 4.160 2.726 ( 4.069 -2.589 0.424) 4.842 2.974 ( 1.004 -7.221 -0.929) 7.349 3.040 ( 0.164 -1.108 6.362) 6.460 3.185 ( -6.230 -0.796 -6.637) 9.137 3.290 ( 3.421 -2.223 1.349) 4.297 3.425 ( -2.043 -1.540 -8.712) 9.080 3.597 ( -1.238 4.316 -1.271) 4.666 3.719 ( -2.102 3.806 4.689) 6.394 3.861 ( 1.386 2.692 -1.588) 3.419 4.022 ( -1.620 -0.366 -1.271) 2.092 4.140 ( 0.538 -0.372 -6.790) 6.822 4.323 ( -0.196 -1.336 3.797) 4.029 4.357 ( 5.666 -5.761 1.280) 8.182 4.517 ( 3.331 1.405 -6.726) 7.636 4.665 ( 1.156 -3.684 2.848) 4.797 4.771 ( 1.710 3.611 -2.180) 4.551 4.818 ( 0.919 3.308 -1.693) 3.828 4.885 ( -5.523 0.624 -3.007) 6.319 5.206 ( 0.441 0.415 -8.920) 8.940 5.441 ( -0.186 -1.349 6.842) 6.976 5.492 ( -2.899 -2.163 7.653) 8.465 5.689 ( 3.885 -1.814 -3.431) 5.491 6.054 ( -1.035 1.023 0.087) 1.458 6.192 ( -3.891 -1.220 2.282) 4.673 6.338 ( 0.178 -1.587 2.018) 2.573 6.725 ( -5.364 7.134 7.725) 11.804 6.878 ( 1.293 2.200 -0.098) 2.553 6.970 ( -0.105 -0.315 -0.744) 0.815 7.232 ( 3.886 -4.696 1.887) 6.381 7.315 ( 0.215 -4.230 1.006) 4.353 7.465 ( 3.447 -7.029 -0.190) 7.831 7.837 ( -5.982 1.433 -4.211) 7.455 7.924 ( 0.212 1.542 8.370) 8.513 8.112 ( -2.899 1.073 6.968) 7.623 8.398 ( 0.578 1.916 -3.255) 3.821 8.839 ( -2.191 1.305 4.853) 5.482 9.202 ( 1.061 0.110 -3.955) 4.096 10.082 ( -1.836 -2.498 -3.741) 4.859 10.290 ( -1.699 -0.528 0.073) 1.780 10.350 ( -0.956 3.468 2.716) 4.507 10.402 ( 3.275 -1.642 0.500) 3.698 10.669 ( -1.820 -2.044 -1.920) 3.343 10.765 ( -3.008 5.419 1.059) 6.287 11.288 ( 0.824 -6.690 7.201) 9.864 11.804 ( -2.790 9.205 -4.443) 10.595 13.279 ( 12.144 -3.853 -8.730) 15.444 14.296 ( -0.433 1.295 1.630) 2.126 14.475 ( 0.034 0.625 -0.517) 0.812 ======================= Grid point 116 (52/129) ======================= q-point: ( 0.62 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 6.557 0.000 4.279) 7.830 1.578 ( -8.231 -0.000 0.559) 8.250 1.589 ( -1.056 -0.000 14.646) 14.684 1.915 ( 7.352 0.000 -1.119) 7.437 2.427 ( 3.242 0.000 2.504) 4.097 2.470 ( 1.614 0.000 1.741) 2.374 2.611 ( 3.740 0.000 4.916) 6.177 2.678 ( -3.527 -0.000 -2.347) 4.237 3.109 ( -1.579 -0.000 0.108) 1.583 3.146 ( 0.323 0.000 -3.780) 3.794 3.375 ( -7.127 -0.000 -0.294) 7.133 3.530 ( -3.822 -0.000 -8.402) 9.230 3.673 ( 2.417 0.000 1.737) 2.976 3.779 ( 9.856 0.000 1.985) 10.054 3.904 ( 11.848 0.000 6.059) 13.307 3.970 ( -2.755 -0.000 0.912) 2.903 4.067 ( 0.369 0.000 -7.344) 7.353 4.161 ( -0.471 -0.000 -4.321) 4.346 4.400 ( -5.908 -0.000 -6.107) 8.497 4.514 ( 2.203 0.000 2.623) 3.425 4.595 ( -2.402 -0.000 1.213) 2.690 4.819 ( 0.488 0.000 -1.517) 1.593 4.827 ( 4.475 0.000 -1.721) 4.795 5.001 ( -3.415 -0.000 -4.856) 5.937 5.186 ( 3.151 0.000 -2.823) 4.231 5.445 ( -2.652 -0.000 2.629) 3.734 5.461 ( -2.204 -0.000 3.046) 3.759 5.609 ( 2.805 0.000 -1.578) 3.218 6.160 ( -5.790 -0.000 0.078) 5.790 6.239 ( -4.517 -0.000 0.897) 4.606 6.351 ( -4.619 -0.000 -0.709) 4.674 6.783 ( 6.286 0.000 2.379) 6.721 6.944 ( -0.375 -0.000 1.001) 1.069 7.034 ( -10.927 -0.000 10.240) 14.976 7.069 ( 5.615 0.000 -9.393) 10.944 7.237 ( 0.534 0.000 1.841) 1.917 7.238 ( 6.170 0.000 0.112) 6.171 7.895 ( 0.441 0.000 9.783) 9.793 7.926 ( -2.361 -0.000 -1.028) 2.576 8.170 ( -4.116 -0.000 4.129) 5.830 8.449 ( -0.754 -0.000 -4.284) 4.350 8.879 ( -2.090 -0.000 4.687) 5.132 9.212 ( 0.749 0.000 -3.652) 3.728 10.104 ( -0.937 -0.000 -5.485) 5.564 10.330 ( 2.414 0.000 -0.124) 2.417 10.338 ( -4.487 -0.000 -1.212) 4.648 10.463 ( -1.150 -0.000 6.090) 6.198 10.572 ( 4.051 0.000 -2.617) 4.823 10.998 ( -5.411 -0.000 -3.451) 6.418 11.065 ( -5.772 -0.000 8.894) 10.602 12.155 ( -3.960 -0.000 -6.190) 7.348 12.869 ( 21.788 0.000 -2.506) 21.932 14.318 ( -0.573 -0.000 2.103) 2.180 14.491 ( -0.188 -0.000 -0.413) 0.453 ======================= Grid point 118 (53/129) ======================= q-point: (-0.25 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -8.356 4.478 2.517) 9.809 1.525 ( -6.557 -1.238 4.910) 8.285 1.652 ( 3.117 -1.852 9.704) 10.359 2.067 ( 9.304 -0.185 0.417) 9.315 2.390 ( 2.275 9.385 -0.699) 9.682 2.568 ( -1.026 -1.377 -4.236) 4.571 2.652 ( 2.418 -4.758 3.074) 6.159 2.747 ( 5.416 -8.635 -0.687) 10.216 3.097 ( 0.136 3.197 2.976) 4.370 3.127 ( -2.574 -2.477 -2.985) 4.655 3.272 ( -3.659 -1.755 -1.298) 4.260 3.417 ( -2.062 1.112 -10.892) 11.141 3.682 ( -1.263 2.202 1.116) 2.773 3.834 ( -2.240 6.931 2.676) 7.760 3.938 ( 5.134 2.837 -0.157) 5.868 4.037 ( -0.796 2.276 -5.811) 6.291 4.094 ( 0.229 -6.159 -2.604) 6.691 4.208 ( 7.808 -1.992 1.089) 8.132 4.311 ( -0.857 -2.742 -1.548) 3.263 4.567 ( 2.625 0.133 1.863) 3.221 4.589 ( -0.066 -0.785 3.423) 3.512 4.811 ( -1.655 0.731 -2.307) 2.931 4.864 ( 2.263 1.073 -3.229) 4.086 4.909 ( -2.143 1.030 -3.786) 4.471 5.211 ( 2.295 0.012 -6.850) 7.224 5.426 ( -0.831 0.159 4.493) 4.572 5.462 ( -2.221 -1.148 6.908) 7.346 5.660 ( 3.868 -0.806 -2.898) 4.900 6.072 ( -3.076 0.673 0.628) 3.211 6.181 ( -2.420 -0.215 0.352) 2.455 6.308 ( -1.385 -1.012 0.833) 1.907 6.865 ( -5.839 6.440 8.601) 12.229 6.908 ( 2.347 0.729 3.712) 4.452 6.965 ( 0.359 -0.970 -0.141) 1.044 7.129 ( 4.484 -4.598 -5.224) 8.279 7.253 ( -0.666 -1.658 1.379) 2.257 7.359 ( 5.308 -3.046 0.073) 6.120 7.851 ( -5.186 0.293 -3.524) 6.276 7.948 ( -0.366 0.713 10.105) 10.137 8.130 ( -2.852 0.582 6.202) 6.851 8.423 ( 0.429 0.608 -3.305) 3.388 8.859 ( -2.743 0.602 4.817) 5.576 9.205 ( 0.839 0.107 -3.898) 3.988 10.030 ( -4.539 -1.743 -6.375) 8.017 10.278 ( -2.466 -0.520 -0.091) 2.522 10.382 ( 3.556 -0.278 -0.136) 3.569 10.421 ( -3.201 2.410 1.963) 4.462 10.622 ( 0.981 -1.833 -3.057) 3.697 10.911 ( -1.172 8.728 4.324) 9.811 11.107 ( 0.279 -9.959 7.538) 12.493 11.979 ( -7.827 5.810 -7.287) 12.171 13.211 ( 17.737 -2.363 -4.741) 18.511 14.315 ( -0.838 0.505 2.259) 2.462 14.482 ( -0.532 0.120 -0.454) 0.710 ======================= Grid point 119 (54/129) ======================= q-point: (-0.12 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -11.003 -1.279 3.572) 11.638 1.395 ( -12.832 -2.490 4.910) 13.963 1.757 ( -0.428 -2.692 5.277) 5.939 2.194 ( 6.378 4.358 2.230) 8.040 2.327 ( -0.912 5.008 -2.640) 5.734 2.524 ( 0.252 0.232 -3.415) 3.433 2.770 ( 3.822 -3.556 0.089) 5.221 2.899 ( 1.846 -7.623 -1.428) 7.972 3.024 ( -6.639 2.477 -1.730) 7.294 3.074 ( 0.385 0.574 -4.503) 4.556 3.307 ( 0.386 -7.222 -4.513) 8.525 3.381 ( 4.890 -0.042 0.753) 4.948 3.606 ( -2.891 4.743 -1.929) 5.880 3.760 ( 1.432 7.091 1.070) 7.313 3.929 ( -0.309 5.962 -4.584) 7.527 3.964 ( -2.025 -0.682 0.581) 2.215 4.114 ( 0.710 -1.929 -5.222) 5.612 4.319 ( 2.326 -1.661 3.544) 4.553 4.443 ( 6.251 -7.334 1.186) 9.709 4.566 ( 1.092 3.810 -0.179) 3.967 4.684 ( 0.014 -2.652 2.618) 3.726 4.700 ( -2.790 -0.800 -2.836) 4.058 4.858 ( 1.471 2.658 -2.765) 4.108 4.899 ( 3.839 3.501 -2.560) 5.792 5.184 ( 1.269 2.285 -9.554) 9.905 5.443 ( -1.737 -0.917 5.182) 5.542 5.488 ( -0.563 -1.599 6.818) 7.025 5.721 ( 3.100 -1.602 -1.040) 3.641 6.060 ( 0.331 -0.823 3.093) 3.218 6.177 ( 1.749 0.484 1.353) 2.263 6.333 ( 1.388 -3.142 1.533) 3.761 6.724 ( -8.234 6.367 11.035) 15.169 6.914 ( 0.527 1.493 0.499) 1.660 6.997 ( 1.950 2.945 -1.261) 3.751 7.232 ( -0.421 -2.689 1.553) 3.134 7.307 ( 4.874 -7.892 -0.932) 9.323 7.457 ( 2.164 -3.541 -0.015) 4.150 7.715 ( -6.414 1.376 -4.149) 7.762 7.984 ( -0.131 0.751 8.637) 8.670 8.131 ( -0.871 1.052 7.550) 7.673 8.405 ( 0.188 1.367 -2.740) 3.067 8.836 ( -2.364 0.480 5.422) 5.934 9.196 ( 0.795 -0.029 -4.235) 4.309 9.939 ( -5.352 -4.986 -6.478) 9.770 10.258 ( -1.174 -1.252 0.446) 1.773 10.356 ( -2.261 1.913 0.193) 2.968 10.461 ( 4.778 -1.338 -0.039) 4.962 10.584 ( -5.382 -0.714 -1.039) 5.527 10.886 ( 5.528 7.270 5.170) 10.495 11.260 ( -0.087 -7.111 6.647) 9.734 11.742 ( -7.878 3.632 -6.730) 10.979 13.431 ( 11.239 2.471 -7.726) 13.860 14.303 ( -1.163 0.730 2.062) 2.477 14.470 ( -0.507 -0.323 -0.387) 0.715 ======================= Grid point 126 (55/129) ======================= q-point: (-0.25 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -14.350 -0.000 2.492) 14.565 1.365 ( -13.632 -0.000 2.346) 13.832 1.720 ( -2.941 -0.000 11.115) 11.498 2.238 ( 8.250 0.000 0.155) 8.251 2.439 ( -2.899 -0.000 -1.561) 3.293 2.516 ( -0.823 -0.000 -6.094) 6.149 2.689 ( 4.596 0.000 3.167) 5.581 2.806 ( 6.908 0.000 -1.994) 7.190 3.033 ( -3.178 -0.000 -5.231) 6.121 3.131 ( -1.287 -0.000 -2.066) 2.434 3.203 ( -0.245 -0.000 -2.500) 2.512 3.387 ( 2.128 0.000 -1.754) 2.758 3.663 ( -0.177 -0.000 -1.693) 1.702 3.849 ( -1.035 -0.000 3.267) 3.427 3.934 ( -5.381 -0.000 -2.530) 5.946 4.058 ( 4.232 0.000 -7.451) 8.569 4.072 ( 2.487 0.000 -4.877) 5.475 4.313 ( 3.043 0.000 3.035) 4.298 4.315 ( 2.783 0.000 3.889) 4.782 4.615 ( -0.038 -0.000 1.432) 1.432 4.643 ( 4.746 0.000 4.772) 6.730 4.700 ( -5.968 -0.000 -3.468) 6.903 4.885 ( 2.248 0.000 -4.930) 5.418 4.934 ( 4.019 0.000 -2.598) 4.786 5.213 ( 2.416 0.000 -8.919) 9.240 5.427 ( -1.559 -0.000 4.538) 4.798 5.476 ( -0.470 -0.000 6.230) 6.247 5.706 ( 2.648 0.000 0.750) 2.752 6.055 ( -0.616 -0.000 2.482) 2.557 6.182 ( 2.725 0.000 0.037) 2.725 6.297 ( 0.444 0.000 1.746) 1.802 6.803 ( -8.917 -0.000 11.464) 14.524 6.926 ( -1.168 -0.000 2.034) 2.346 7.081 ( 7.327 0.000 3.142) 7.972 7.125 ( 3.375 0.000 -7.860) 8.554 7.227 ( -2.075 -0.000 1.691) 2.677 7.431 ( 3.842 0.000 -0.563) 3.883 7.729 ( -5.739 -0.000 -4.314) 7.180 7.995 ( -1.415 -0.000 10.480) 10.575 8.142 ( -0.581 -0.000 7.047) 7.071 8.419 ( 0.438 0.000 -2.775) 2.810 8.841 ( -2.808 -0.000 5.724) 6.375 9.196 ( 0.694 0.000 -4.331) 4.386 9.886 ( -6.096 -0.000 -7.025) 9.301 10.244 ( -1.529 -0.000 0.510) 1.611 10.377 ( -2.855 -0.000 -0.439) 2.889 10.448 ( 4.634 0.000 -0.662) 4.681 10.572 ( -4.469 -0.000 -1.754) 4.801 11.055 ( 2.374 0.000 4.434) 5.029 11.082 ( 3.238 0.000 9.890) 10.407 11.798 ( -10.684 -0.000 -8.480) 13.640 13.455 ( 14.744 0.000 -6.365) 16.059 14.311 ( -1.471 -0.000 2.463) 2.869 14.465 ( -1.019 -0.000 -0.402) 1.096 ======================= Grid point 127 (56/129) ======================= q-point: (-0.12 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -15.691 -3.616 4.432) 16.701 1.115 ( -17.880 -3.066 1.634) 18.214 1.628 ( -16.731 -3.533 11.457) 20.583 2.231 ( -6.234 1.183 -6.013) 8.742 2.387 ( 1.149 7.285 1.655) 7.558 2.487 ( -1.410 -3.201 -2.240) 4.154 2.808 ( 5.207 -3.101 2.120) 6.420 2.904 ( 1.081 1.709 -1.663) 2.618 2.980 ( 3.235 0.770 -4.207) 5.362 3.072 ( 2.608 -0.040 -8.379) 8.775 3.243 ( 2.626 -3.861 -2.699) 5.393 3.474 ( 5.070 -1.251 6.073) 8.010 3.650 ( 2.327 7.177 -3.222) 8.204 3.831 ( -3.825 -4.647 -1.819) 6.288 3.870 ( 2.311 3.402 0.335) 4.127 4.031 ( 2.392 7.536 -3.935) 8.832 4.093 ( 1.732 -0.168 -4.455) 4.783 4.358 ( -1.166 -2.717 2.682) 3.992 4.401 ( -0.244 -4.693 0.433) 4.720 4.552 ( -3.205 -2.178 -1.549) 4.173 4.643 ( 0.432 2.719 1.849) 3.317 4.785 ( 6.788 -1.353 0.440) 6.936 4.892 ( 2.548 1.153 -4.484) 5.285 4.985 ( 4.420 1.569 -2.518) 5.323 5.178 ( 1.461 2.609 -12.068) 12.433 5.427 ( -2.485 -0.962 5.875) 6.451 5.493 ( -0.859 -0.581 2.086) 2.330 5.764 ( 1.723 -0.252 6.810) 7.029 6.074 ( 0.431 -1.271 3.659) 3.897 6.269 ( 6.870 0.897 1.290) 7.047 6.357 ( 3.478 -2.653 3.229) 5.437 6.715 ( -6.311 4.628 13.907) 15.958 6.920 ( -0.775 -1.431 1.452) 2.181 7.057 ( -0.036 7.442 -3.143) 8.079 7.209 ( -1.594 0.115 1.582) 2.249 7.290 ( 5.264 -12.196 0.317) 13.287 7.438 ( -1.818 -0.603 -3.425) 3.924 7.660 ( 0.638 2.565 -0.564) 2.702 8.020 ( -1.733 -0.686 9.668) 9.846 8.174 ( -0.175 0.700 7.219) 7.255 8.400 ( -0.398 0.956 -2.993) 3.167 8.837 ( -1.741 0.194 8.273) 8.457 9.183 ( 0.767 -0.146 -4.939) 5.000 9.776 ( -4.134 -3.770 -5.981) 8.190 10.223 ( -2.171 -1.023 0.537) 2.459 10.329 ( -1.991 0.543 -0.341) 2.092 10.471 ( -5.774 -0.354 -0.756) 5.834 10.540 ( 5.904 -1.294 -0.639) 6.077 11.082 ( 4.978 6.229 5.612) 9.751 11.227 ( -0.464 -5.532 6.773) 8.757 11.564 ( -9.872 0.234 -7.422) 12.353 13.599 ( 8.979 5.063 -11.190) 15.214 14.292 ( -2.049 0.154 2.369) 3.136 14.449 ( -0.892 -0.841 -0.342) 1.273 ======================= Grid point 135 (57/129) ======================= q-point: (-0.12 -0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -17.294 -0.000 8.446) 19.246 0.778 ( -20.142 -0.000 3.632) 20.467 1.292 ( -27.651 -0.000 18.343) 33.182 2.054 ( -9.791 -0.000 -5.689) 11.323 2.362 ( -4.061 -0.000 -5.269) 6.653 2.451 ( -3.575 -0.000 3.462) 4.977 2.908 ( 5.959 0.000 1.859) 6.243 2.914 ( -0.053 -0.000 -2.072) 2.072 3.022 ( 4.947 0.000 -5.231) 7.200 3.163 ( 11.318 0.000 -5.837) 12.735 3.277 ( 3.716 0.000 -1.920) 4.183 3.610 ( 6.118 0.000 7.956) 10.036 3.694 ( -4.548 -0.000 -1.569) 4.811 3.755 ( 3.918 0.000 -2.962) 4.911 3.916 ( 1.021 0.000 1.131) 1.523 4.038 ( -1.975 -0.000 -7.675) 7.926 4.157 ( 5.219 0.000 -4.138) 6.660 4.265 ( -3.695 -0.000 2.541) 4.484 4.413 ( 0.326 0.000 -2.103) 2.128 4.497 ( -0.929 -0.000 0.185) 0.947 4.671 ( 0.430 0.000 0.588) 0.729 4.872 ( 4.624 0.000 -3.455) 5.772 4.903 ( 0.020 0.000 -3.493) 3.493 5.047 ( 3.808 0.000 -3.259) 5.012 5.136 ( 1.138 0.000 -15.114) 15.156 5.411 ( -2.971 -0.000 7.682) 8.237 5.463 ( -2.367 -0.000 -1.204) 2.656 5.844 ( 1.861 0.000 9.112) 9.300 6.110 ( 1.524 0.000 7.342) 7.498 6.427 ( 3.743 0.000 4.136) 5.578 6.430 ( 9.748 0.000 1.414) 9.850 6.775 ( 0.738 0.000 17.972) 17.987 6.882 ( -2.270 -0.000 -0.548) 2.335 7.075 ( -2.221 -0.000 0.295) 2.240 7.192 ( -2.556 -0.000 -1.895) 3.182 7.293 ( 6.528 0.000 5.082) 8.273 7.406 ( 0.386 0.000 -0.908) 0.987 7.735 ( 4.087 0.000 0.719) 4.150 8.021 ( -3.383 -0.000 11.245) 11.743 8.208 ( -0.778 -0.000 6.400) 6.447 8.376 ( -0.794 -0.000 -3.557) 3.645 8.903 ( 3.073 0.000 17.025) 17.300 9.170 ( 1.176 0.000 -5.304) 5.433 9.671 ( -2.157 -0.000 -4.574) 5.057 10.165 ( -4.244 -0.000 0.892) 4.336 10.301 ( -1.435 -0.000 0.517) 1.525 10.390 ( -2.816 -0.000 0.230) 2.825 10.642 ( 7.437 0.000 -0.338) 7.444 11.206 ( 3.454 0.000 -0.691) 3.522 11.206 ( -4.925 0.000 8.722) 10.017 11.371 ( -7.131 -0.000 -3.957) 8.155 13.648 ( 1.397 0.000 -24.270) 24.310 14.264 ( -2.747 -0.000 2.150) 3.488 14.425 ( -0.981 -0.000 -0.378) 1.051 ======================= Grid point 136 (58/129) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -2.723 -0.000 20.187) 20.370 0.872 ( -0.660 -0.000 18.204) 18.216 1.589 ( -3.169 -0.000 24.366) 24.571 1.675 ( 1.802 0.000 -7.834) 8.038 2.101 ( 0.294 0.000 -0.267) 0.397 2.476 ( -1.212 -0.000 6.214) 6.331 2.957 ( 2.432 0.000 -0.467) 2.477 2.981 ( -4.644 -0.000 0.936) 4.738 3.132 ( 9.544 0.000 -7.420) 12.089 3.188 ( -4.894 -0.000 0.680) 4.941 3.316 ( 5.304 0.000 -7.838) 9.464 3.524 ( -3.273 -0.000 -3.846) 5.051 3.628 ( 2.095 0.000 0.897) 2.279 3.866 ( -1.165 -0.000 3.206) 3.411 4.046 ( 4.054 0.000 0.160) 4.057 4.111 ( 3.867 0.000 3.089) 4.949 4.198 ( -4.111 -0.000 -0.154) 4.114 4.299 ( 6.661 0.000 0.761) 6.704 4.356 ( -2.939 -0.000 -13.325) 13.645 4.387 ( -3.720 -0.000 -3.388) 5.031 4.490 ( 6.807 0.000 3.433) 7.624 4.720 ( -5.391 -0.000 -1.945) 5.731 4.803 ( -7.428 -0.000 2.441) 7.819 4.988 ( 9.305 0.000 -8.921) 12.891 5.021 ( 0.725 0.000 -0.802) 1.081 5.320 ( 1.790 0.000 -6.993) 7.218 5.646 ( -1.822 -0.000 10.439) 10.597 5.842 ( 0.582 0.000 -2.125) 2.204 6.404 ( -4.082 -0.000 9.879) 10.689 6.618 ( -0.822 -0.000 3.369) 3.467 6.631 ( -0.504 -0.000 -6.747) 6.765 6.672 ( -12.116 -0.000 0.241) 12.118 6.796 ( 5.879 0.000 0.926) 5.951 7.049 ( -1.720 -0.000 -4.098) 4.444 7.361 ( 1.796 0.000 8.008) 8.207 7.482 ( 2.223 0.000 3.844) 4.440 7.763 ( 4.854 0.000 -1.532) 5.090 7.805 ( -1.538 -0.000 -0.611) 1.655 7.972 ( -10.063 -0.000 -0.202) 10.065 8.165 ( 1.200 0.000 -7.058) 7.159 8.373 ( -4.592 -0.000 8.143) 9.348 9.018 ( 5.187 0.000 -8.498) 9.956 9.366 ( -16.412 -0.000 4.165) 16.932 9.612 ( 5.525 0.000 -2.458) 6.047 10.363 ( 1.631 0.000 0.747) 1.794 10.368 ( 0.270 0.000 2.127) 2.144 10.893 ( -0.747 -0.000 -0.779) 1.079 10.912 ( -13.082 -0.000 -1.368) 13.153 11.114 ( 9.257 0.000 7.710) 12.047 11.305 ( -1.073 -0.000 0.126) 1.080 11.342 ( -11.385 -0.000 5.576) 12.677 12.113 ( 23.314 0.000 -12.888) 26.639 14.261 ( -1.117 -0.000 2.449) 2.692 14.370 ( -0.166 -0.000 -1.350) 1.360 ======================= Grid point 137 (59/129) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 2.910 -5.165 17.926) 18.880 1.057 ( 8.240 -3.226 16.173) 18.436 1.690 ( 1.677 -0.640 10.301) 10.456 1.750 ( 9.833 -2.632 -6.471) 12.062 2.165 ( 2.392 -4.473 4.632) 6.868 2.476 ( -2.895 0.483 5.579) 6.304 2.868 ( -8.363 0.312 0.102) 8.369 2.982 ( 0.932 0.964 1.108) 1.740 3.136 ( 0.319 -1.595 -4.427) 4.716 3.221 ( 1.953 2.524 -6.143) 6.923 3.283 ( -0.374 -3.074 -4.228) 5.241 3.497 ( 3.241 6.975 0.132) 7.692 3.698 ( 3.423 -1.209 3.731) 5.206 3.844 ( -2.181 2.416 1.132) 3.446 4.033 ( -0.707 5.495 -2.298) 5.998 4.145 ( -1.764 1.626 -0.346) 2.424 4.184 ( 1.800 -3.458 -0.566) 3.939 4.219 ( -3.813 -0.796 -13.492) 14.043 4.272 ( -1.592 5.316 -4.013) 6.848 4.400 ( 1.748 -0.926 -2.844) 3.465 4.624 ( -3.123 -1.670 -0.800) 3.631 4.654 ( 4.200 -2.363 6.774) 8.314 4.705 ( -4.106 -1.258 1.352) 4.502 5.010 ( -1.368 0.651 -1.058) 1.848 5.082 ( 5.892 0.070 -8.188) 10.088 5.331 ( 4.972 -0.133 -8.771) 10.083 5.667 ( -1.259 1.443 10.598) 10.770 5.872 ( 2.399 -1.679 0.193) 2.935 6.327 ( -20.099 1.131 3.040) 20.359 6.410 ( -3.063 0.736 4.823) 5.760 6.617 ( 0.179 -1.584 -4.724) 4.986 6.635 ( -2.881 2.816 9.787) 10.583 6.821 ( -1.513 2.465 2.681) 3.944 6.999 ( -0.059 -0.627 -6.022) 6.055 7.406 ( 0.866 3.500 6.960) 7.838 7.555 ( 3.491 4.220 2.134) 5.878 7.659 ( -2.785 7.778 2.975) 8.781 7.833 ( -3.235 -7.941 -2.006) 8.806 7.904 ( -0.946 -1.595 2.332) 2.980 8.167 ( 2.628 -1.373 -6.580) 7.218 8.328 ( -5.351 0.016 7.959) 9.591 9.052 ( 3.763 1.767 -8.315) 9.296 9.115 ( -12.593 1.175 10.453) 16.408 9.751 ( 7.579 -5.578 -1.161) 9.481 10.367 ( 0.981 2.189 1.418) 2.787 10.391 ( -0.052 -0.037 0.223) 0.232 10.607 ( -14.126 2.897 4.904) 15.231 10.837 ( -4.072 0.418 1.321) 4.301 11.083 ( -15.291 2.392 2.531) 15.683 11.254 ( -5.020 -8.229 -0.190) 9.641 11.430 ( 16.887 1.896 6.609) 18.233 12.603 ( 30.729 -1.482 -22.524) 38.129 14.264 ( -0.556 -0.728 2.165) 2.350 14.375 ( 0.552 -1.716 -1.176) 2.153 ======================= Grid point 138 (60/129) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 4.832 -6.256 14.072) 16.141 1.337 ( 9.508 -4.651 13.702) 17.314 1.753 ( 2.169 1.272 1.508) 2.933 1.935 ( 11.525 -2.634 -7.731) 14.126 2.260 ( -0.480 -3.373 2.612) 4.293 2.437 ( -3.430 -1.309 3.983) 5.417 2.715 ( -8.437 -0.780 -1.286) 8.570 3.004 ( 0.222 -1.547 2.438) 2.896 3.115 ( -4.325 0.631 -8.262) 9.347 3.150 ( 0.962 -3.561 -6.751) 7.693 3.350 ( 1.966 0.162 4.828) 5.215 3.491 ( 6.510 11.302 3.404) 13.480 3.740 ( -5.524 4.427 -0.496) 7.097 3.769 ( 2.152 0.732 3.993) 4.595 3.925 ( -3.167 7.004 -3.650) 8.510 4.053 ( -1.878 3.069 -9.091) 9.777 4.125 ( -2.387 0.609 -6.055) 6.537 4.220 ( -0.005 -4.926 0.288) 4.934 4.245 ( 3.164 -1.628 -5.599) 6.634 4.390 ( -0.029 -0.354 -3.085) 3.106 4.604 ( -1.197 -3.004 0.050) 3.234 4.682 ( -0.410 -1.817 -0.406) 1.906 4.788 ( 2.493 -1.280 6.696) 7.259 4.950 ( -3.634 1.075 -1.304) 4.008 5.080 ( 0.737 1.422 -7.876) 8.037 5.404 ( 8.457 -0.266 -9.676) 12.853 5.697 ( 0.359 2.397 10.262) 10.544 5.881 ( -7.362 3.141 0.082) 8.005 6.050 ( -7.307 -2.746 8.410) 11.475 6.413 ( -0.429 0.470 4.377) 4.423 6.509 ( -7.647 6.453 4.155) 10.834 6.658 ( 1.823 -1.219 1.169) 2.485 6.809 ( -1.916 -2.946 4.243) 5.509 6.981 ( -0.278 -0.755 -3.720) 3.806 7.411 ( 0.667 4.753 5.930) 7.629 7.473 ( -1.303 7.348 -1.342) 7.582 7.676 ( 4.541 6.304 4.078) 8.775 7.799 ( -6.899 -6.600 -1.815) 9.718 7.952 ( 1.372 -1.827 4.457) 5.009 8.205 ( 2.787 -2.816 -4.939) 6.332 8.290 ( -4.421 -0.463 8.738) 9.804 8.976 ( -5.030 0.496 6.016) 7.858 9.090 ( 1.660 -0.201 -3.481) 3.861 9.943 ( 8.366 -4.908 -0.507) 9.713 10.362 ( -0.170 2.545 0.710) 2.648 10.370 ( -1.707 0.569 1.033) 2.075 10.475 ( -2.478 1.581 3.053) 4.238 10.772 ( -4.992 -0.606 2.260) 5.513 10.806 ( -11.974 2.936 -2.953) 12.677 11.261 ( -6.132 -11.949 -0.789) 13.453 11.718 ( 15.083 6.521 9.241) 18.853 12.879 ( 16.639 -0.016 -22.235) 27.771 14.278 ( -0.435 -1.481 1.933) 2.473 14.405 ( 1.191 -2.061 -0.986) 2.577 ======================= Grid point 139 (61/129) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 1.253 -3.165 10.349) 10.895 1.594 ( 6.229 -6.527 10.246) 13.652 1.732 ( -3.110 3.940 0.154) 5.022 2.070 ( 7.758 -0.060 -8.636) 11.609 2.239 ( -1.505 0.295 0.317) 1.566 2.456 ( -0.962 -3.770 2.328) 4.534 2.622 ( -2.274 -3.657 -4.103) 5.948 2.980 ( -6.467 -0.751 -6.928) 9.507 3.027 ( -1.431 -2.585 0.585) 3.012 3.172 ( 1.109 -5.240 -7.213) 8.984 3.338 ( -2.969 7.874 8.996) 12.318 3.509 ( 5.660 11.660 -2.425) 13.186 3.604 ( -3.594 5.318 2.107) 6.756 3.777 ( -2.822 0.625 2.744) 3.985 3.845 ( -0.320 1.538 -0.473) 1.640 3.962 ( 2.137 2.205 -6.962) 7.609 4.057 ( -2.033 0.615 -2.524) 3.299 4.288 ( 1.834 -4.760 -4.587) 6.860 4.306 ( 4.219 -4.318 -2.895) 6.695 4.421 ( 4.261 -1.873 -1.925) 5.037 4.626 ( 0.228 -2.513 -2.366) 3.459 4.690 ( -1.005 -3.112 -2.346) 4.025 4.839 ( 0.268 1.935 6.951) 7.220 4.867 ( -3.994 0.189 -0.701) 4.059 5.030 ( 0.075 1.463 -6.362) 6.529 5.487 ( 6.566 -0.042 -9.952) 11.923 5.661 ( -7.741 3.464 3.249) 9.081 5.766 ( 1.440 3.087 9.600) 10.186 6.105 ( 1.284 -1.352 5.859) 6.148 6.345 ( -6.445 4.442 3.768) 8.687 6.433 ( 1.645 1.854 4.402) 5.052 6.719 ( 1.911 -2.939 1.293) 3.737 6.843 ( -2.217 -4.532 6.465) 8.200 6.957 ( -1.528 -0.663 -1.883) 2.514 7.375 ( -1.414 5.203 -0.073) 5.393 7.418 ( 0.813 2.948 2.299) 3.826 7.677 ( 2.348 8.136 0.073) 8.469 7.729 ( -5.812 -2.722 1.478) 6.586 8.020 ( 1.016 -2.854 4.000) 5.018 8.246 ( -0.367 -2.933 0.261) 2.968 8.293 ( -0.557 -0.611 6.885) 6.935 8.952 ( -2.545 -1.110 5.721) 6.359 9.096 ( 1.531 0.213 -3.755) 4.060 10.051 ( 1.724 2.594 -5.005) 5.895 10.313 ( -1.631 2.027 -0.288) 2.618 10.355 ( -2.113 -1.639 2.512) 3.669 10.480 ( 2.421 2.062 2.184) 3.858 10.678 ( 2.697 -0.114 -2.762) 3.863 10.699 ( -6.438 -1.729 3.001) 7.311 11.265 ( -7.543 -12.701 0.240) 14.774 11.871 ( 7.980 12.009 6.050) 15.637 12.990 ( 9.010 -2.881 -18.224) 20.533 14.298 ( -0.508 -2.063 1.989) 2.910 14.439 ( 1.287 -1.211 -0.920) 1.992 ======================= Grid point 140 (62/129) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -6.222 3.312 8.224) 10.832 1.563 ( -10.460 6.248 1.643) 12.295 1.784 ( 2.482 -7.944 5.241) 9.836 2.116 ( 2.602 -0.372 -9.353) 9.715 2.253 ( 1.077 -1.880 2.399) 3.233 2.494 ( 1.864 -0.521 2.880) 3.470 2.657 ( 3.656 -4.978 -7.176) 9.468 2.858 ( -5.568 -1.764 -3.108) 6.616 3.014 ( 0.442 1.868 -0.944) 2.139 3.169 ( -4.733 4.363 0.495) 6.456 3.257 ( 0.184 -1.163 -0.740) 1.391 3.401 ( -3.051 4.341 -4.464) 6.934 3.588 ( 4.109 5.509 2.764) 7.408 3.717 ( -5.025 0.003 1.390) 5.214 3.838 ( 3.517 0.224 0.349) 3.541 3.977 ( 0.310 1.308 -2.188) 2.568 4.027 ( 0.656 -0.204 -2.094) 2.204 4.358 ( 4.765 -2.122 -3.141) 6.089 4.424 ( 4.708 -5.565 -1.749) 7.496 4.506 ( 2.871 -1.409 -2.169) 3.864 4.580 ( -3.977 -1.712 -5.259) 6.812 4.716 ( 1.396 -2.849 -0.633) 3.236 4.800 ( -2.816 -0.655 -3.106) 4.244 4.883 ( 2.669 1.608 6.322) 7.048 4.986 ( 0.238 1.736 -5.010) 5.308 5.486 ( -0.032 0.409 -8.827) 8.837 5.588 ( -0.459 1.924 4.315) 4.747 5.824 ( 2.801 2.963 7.236) 8.306 6.154 ( 1.803 -0.177 2.767) 3.307 6.263 ( -2.000 1.439 3.180) 4.023 6.485 ( 3.647 3.620 7.237) 8.875 6.790 ( 0.499 -4.779 2.375) 5.360 6.870 ( -2.965 -1.808 4.761) 5.893 6.942 ( -0.953 -3.573 0.791) 3.782 7.301 ( -2.535 2.536 -0.807) 3.675 7.417 ( 0.136 1.304 0.313) 1.348 7.607 ( -1.174 4.762 -1.441) 5.111 7.688 ( -0.727 4.160 5.108) 6.628 8.086 ( 1.069 -3.369 2.873) 4.555 8.259 ( -2.367 -2.797 3.724) 5.224 8.336 ( 0.899 0.166 4.876) 4.961 8.959 ( -1.374 -1.408 3.711) 4.200 9.104 ( 1.278 0.111 -0.653) 1.440 9.921 ( -3.310 7.516 -8.448) 11.782 10.291 ( -0.751 0.405 0.597) 1.041 10.347 ( -1.211 -0.731 1.683) 2.198 10.522 ( 3.857 2.332 1.059) 4.630 10.599 ( -6.458 0.807 1.217) 6.621 10.842 ( 10.530 -4.055 0.549) 11.297 11.263 ( -7.888 -12.112 3.532) 14.880 11.819 ( 0.321 15.030 0.887) 15.060 13.068 ( 4.806 -7.239 -15.603) 17.859 14.319 ( -0.851 -2.005 2.198) 3.094 14.457 ( 0.842 0.159 -1.116) 1.407 ======================= Grid point 141 (63/129) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -11.333 6.938 9.028) 16.065 1.313 ( -12.292 7.745 6.284) 15.829 1.863 ( -4.461 -4.104 4.011) 7.269 2.058 ( -3.429 -0.132 -8.311) 8.992 2.313 ( 0.306 -2.682 2.690) 3.811 2.532 ( -0.378 1.828 4.304) 4.692 2.738 ( 5.597 -2.121 -8.030) 10.015 2.799 ( -2.813 -3.793 -0.031) 4.723 3.000 ( -0.898 8.020 -2.068) 8.331 3.041 ( 3.147 2.706 1.243) 4.332 3.284 ( 1.421 1.843 -1.173) 2.606 3.374 ( 0.912 -9.320 -4.685) 10.471 3.598 ( 0.807 0.997 2.068) 2.434 3.735 ( 2.300 -4.443 0.773) 5.062 3.893 ( 3.970 4.410 -0.894) 6.001 3.950 ( -1.523 -1.693 1.219) 2.582 4.032 ( 1.839 1.124 -2.479) 3.285 4.414 ( -7.032 -0.701 -1.925) 7.324 4.431 ( 2.816 -0.027 -1.111) 3.028 4.524 ( 2.829 -0.115 -4.029) 4.924 4.588 ( 0.502 -3.183 -2.141) 3.869 4.742 ( 0.201 -1.987 -5.767) 6.103 4.786 ( 3.100 -0.963 -2.082) 3.856 4.923 ( 0.412 -0.298 -3.836) 3.870 4.977 ( 3.205 2.658 1.869) 4.564 5.442 ( 0.181 0.043 -6.469) 6.471 5.584 ( -1.517 0.934 4.606) 4.939 5.877 ( 2.133 1.424 4.373) 5.070 6.202 ( 2.077 0.521 3.282) 3.919 6.307 ( 5.149 -1.972 3.360) 6.457 6.542 ( 2.224 4.024 7.349) 8.668 6.816 ( -5.039 -3.364 3.920) 7.216 6.869 ( 1.638 -2.709 -3.331) 4.595 6.997 ( -0.300 -3.470 5.498) 6.508 7.229 ( -3.637 -0.001 -0.084) 3.638 7.398 ( -0.364 0.541 -0.848) 1.070 7.565 ( 3.051 6.747 1.374) 7.531 7.675 ( -0.118 2.323 5.431) 5.908 8.151 ( 1.007 -3.494 1.417) 3.902 8.261 ( -2.831 -2.630 2.775) 4.758 8.365 ( 0.028 1.178 5.638) 5.760 8.966 ( 0.049 -1.301 -2.223) 2.576 9.148 ( 1.439 -1.060 8.550) 8.735 9.769 ( 0.025 7.593 -7.128) 10.415 10.268 ( -1.845 0.512 1.280) 2.303 10.348 ( -0.381 0.571 2.108) 2.217 10.481 ( -5.781 1.115 0.713) 5.931 10.584 ( 5.961 2.803 -0.011) 6.587 11.029 ( 7.077 -2.485 -4.350) 8.671 11.286 ( -5.511 -8.812 8.764) 13.595 11.641 ( -4.018 12.345 0.226) 12.985 13.101 ( -1.165 -9.641 -18.179) 20.610 14.328 ( -1.499 -1.137 2.301) 2.973 14.452 ( 0.297 1.368 -1.512) 2.061 ======================= Grid point 142 (64/129) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -11.885 6.505 13.504) 19.129 1.077 ( -11.522 8.944 12.540) 19.235 1.753 ( -12.931 2.113 11.753) 17.602 1.925 ( -6.762 1.406 -5.932) 9.104 2.288 ( -3.660 3.970 -0.925) 5.478 2.496 ( -4.604 -0.990 4.346) 6.408 2.795 ( 3.579 -3.092 -1.815) 5.067 2.865 ( 5.666 -3.541 -3.805) 7.689 2.969 ( 4.655 1.729 -3.152) 5.882 3.117 ( 7.818 3.946 -1.465) 8.879 3.289 ( 0.467 0.672 0.390) 0.907 3.476 ( 2.070 -8.760 -5.019) 10.306 3.672 ( 2.432 -5.916 2.658) 6.927 3.803 ( 2.190 -0.305 0.128) 2.215 3.876 ( -0.528 1.091 -0.925) 1.525 3.971 ( 0.414 -0.572 1.373) 1.544 4.066 ( 4.802 -0.041 -0.865) 4.880 4.319 ( -3.601 -0.208 1.781) 4.023 4.424 ( -2.244 1.476 -1.471) 3.062 4.509 ( 0.310 2.743 -3.515) 4.469 4.584 ( -0.470 -1.168 -8.214) 8.310 4.751 ( 1.923 -3.348 -6.458) 7.524 4.846 ( 4.277 0.502 -2.247) 4.857 4.908 ( -0.596 -1.014 -2.068) 2.379 5.007 ( 2.471 2.742 -0.558) 3.733 5.403 ( -0.726 0.632 -6.460) 6.531 5.586 ( -1.727 -0.630 7.811) 8.024 5.896 ( 0.223 1.793 0.020) 1.807 6.297 ( 4.202 -3.100 7.749) 9.345 6.459 ( 6.638 -2.069 3.690) 7.872 6.558 ( 0.223 2.663 5.478) 6.095 6.770 ( -3.985 -2.649 -3.390) 5.865 6.904 ( 0.801 -1.003 -3.258) 3.501 7.013 ( -3.018 -3.797 1.700) 5.140 7.219 ( 0.264 -1.415 5.013) 5.216 7.411 ( 1.732 -0.207 1.612) 2.375 7.582 ( 6.689 8.509 2.368) 11.079 7.704 ( -0.446 -3.718 4.499) 5.854 8.193 ( 0.095 -2.098 -1.132) 2.386 8.237 ( -3.087 -0.733 0.171) 3.177 8.380 ( -1.338 0.313 7.309) 7.437 8.966 ( 2.254 -0.897 -8.006) 8.366 9.279 ( 1.889 -5.884 15.487) 16.675 9.707 ( 5.465 8.650 -4.163) 11.047 10.244 ( -0.889 0.311 3.839) 3.953 10.343 ( -0.156 0.630 3.210) 3.275 10.424 ( -0.092 0.477 2.107) 2.162 10.683 ( 9.745 3.716 0.091) 10.430 11.078 ( -0.983 -3.904 -5.369) 6.711 11.286 ( -1.728 4.685 0.603) 5.030 11.512 ( -5.668 0.757 10.301) 11.782 12.963 ( -13.428 -7.373 -25.165) 29.461 14.312 ( -2.329 0.179 2.207) 3.213 14.428 ( 0.010 2.082 -1.868) 2.797 ======================= Grid point 143 (65/129) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -8.461 4.080 17.720) 20.056 0.899 ( -9.204 6.660 17.940) 21.235 1.593 ( -11.618 2.865 23.412) 26.293 1.762 ( -5.438 1.683 -6.716) 8.804 2.160 ( -3.200 4.384 -2.870) 6.140 2.469 ( -2.485 -0.962 4.910) 5.586 2.894 ( 3.147 -3.330 0.546) 4.614 2.989 ( 9.897 -0.416 -6.330) 11.755 3.017 ( 0.102 -1.214 0.770) 1.441 3.212 ( 9.968 2.229 -6.234) 11.967 3.267 ( -3.033 0.382 0.052) 3.057 3.556 ( 1.047 -6.270 -3.348) 7.184 3.662 ( -4.376 1.605 -3.996) 6.139 3.858 ( -0.141 -2.083 1.188) 2.402 3.944 ( 4.680 -4.523 5.280) 8.381 3.999 ( 3.625 0.725 3.607) 5.165 4.166 ( 6.376 -0.899 -2.402) 6.873 4.291 ( -4.513 -1.444 1.271) 4.906 4.373 ( 1.815 2.576 3.175) 4.474 4.450 ( -1.048 2.224 -6.551) 6.997 4.512 ( -1.952 0.966 -10.074) 10.307 4.781 ( -1.139 -3.271 -2.452) 4.243 4.884 ( -3.951 -1.520 2.577) 4.956 4.898 ( 7.381 2.832 -8.313) 11.472 5.011 ( 1.556 1.373 -1.398) 2.502 5.346 ( -0.438 0.533 -6.452) 6.488 5.615 ( -1.622 -0.897 9.711) 9.886 5.865 ( -0.403 1.745 -2.319) 2.931 6.408 ( -2.178 -0.893 11.569) 11.806 6.568 ( 2.200 -1.117 3.824) 4.551 6.635 ( 7.902 -1.913 0.213) 8.133 6.699 ( -3.543 -2.142 -4.910) 6.423 6.839 ( -4.003 2.969 -3.582) 6.137 7.051 ( -0.258 -6.378 -2.188) 6.748 7.283 ( 1.782 -0.500 7.102) 7.339 7.448 ( 0.716 0.094 2.589) 2.688 7.660 ( 8.578 4.431 0.857) 9.693 7.772 ( -0.476 -6.805 2.057) 7.125 8.146 ( -5.998 2.931 0.468) 6.692 8.192 ( -0.184 -0.997 -6.964) 7.038 8.390 ( -2.953 -0.531 8.343) 8.866 8.981 ( 4.450 -0.379 -9.578) 10.568 9.430 ( -3.163 -11.582 6.549) 13.676 9.669 ( 1.294 10.821 -4.323) 11.724 10.303 ( 2.311 -2.308 1.953) 3.805 10.366 ( 0.995 2.246 2.442) 3.463 10.634 ( 18.853 -10.285 10.706) 23.997 10.855 ( 16.780 7.869 3.199) 18.807 11.045 ( -4.903 -5.129 -1.103) 7.181 11.202 ( 2.575 7.109 -3.146) 8.189 11.471 ( -8.760 -1.176 11.820) 14.759 12.464 ( -29.900 2.853 -25.046) 39.108 14.279 ( -2.126 0.641 2.383) 3.257 14.394 ( -0.359 1.832 -1.752) 2.560 ======================= Grid point 145 (66/129) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 5.573 0.000 15.804) 16.758 1.296 ( 9.942 0.000 15.176) 18.143 1.775 ( 3.300 0.000 2.669) 4.244 1.897 ( 13.742 0.000 -10.240) 17.138 2.215 ( 2.741 0.000 3.612) 4.534 2.431 ( -5.263 -0.000 2.911) 6.015 2.706 ( -9.894 -0.000 0.750) 9.922 2.981 ( -1.442 -0.000 -1.910) 2.393 3.119 ( 1.178 0.000 -5.191) 5.323 3.126 ( -6.414 -0.000 -6.210) 8.928 3.343 ( 6.421 0.000 3.438) 7.283 3.614 ( 2.507 0.000 8.174) 8.550 3.771 ( 2.282 0.000 5.358) 5.824 3.819 ( -0.469 -0.000 -7.264) 7.279 4.004 ( -2.806 -0.000 -3.102) 4.183 4.063 ( -6.376 -0.000 -6.939) 9.423 4.139 ( -1.331 -0.000 -1.534) 2.031 4.167 ( 3.165 0.000 -10.031) 10.519 4.224 ( -1.686 -0.000 -5.725) 5.968 4.385 ( -2.444 -0.000 -0.777) 2.564 4.565 ( -1.475 -0.000 2.009) 2.492 4.669 ( 0.642 0.000 -3.195) 3.259 4.766 ( 3.511 0.000 8.729) 9.409 4.961 ( -3.968 -0.000 -1.233) 4.155 5.097 ( 0.783 0.000 -7.475) 7.516 5.403 ( 9.166 0.000 -10.398) 13.861 5.722 ( 0.224 0.000 10.216) 10.218 5.906 ( -2.646 -0.000 -0.865) 2.784 6.027 ( -11.418 -0.000 9.105) 14.604 6.419 ( -0.119 -0.000 4.669) 4.670 6.581 ( -4.196 -0.000 -1.604) 4.492 6.667 ( -2.764 -0.000 12.432) 12.736 6.752 ( -4.223 -0.000 0.741) 4.288 6.977 ( 0.974 0.000 -5.889) 5.969 7.458 ( -1.055 -0.000 5.975) 6.067 7.627 ( -3.714 -0.000 -1.411) 3.973 7.645 ( -4.083 -0.000 1.027) 4.210 7.760 ( 6.172 0.000 1.189) 6.285 7.934 ( 0.702 0.000 4.137) 4.196 8.171 ( 2.373 0.000 -4.507) 5.093 8.284 ( -4.515 -0.000 8.301) 9.449 8.983 ( -7.573 -0.000 8.058) 11.058 9.091 ( 2.893 0.000 -5.232) 5.979 9.881 ( 9.987 0.000 1.029) 10.040 10.376 ( -3.364 -0.000 2.019) 3.923 10.393 ( 0.739 0.000 -0.069) 0.742 10.492 ( -2.657 -0.000 3.310) 4.244 10.749 ( -7.284 -0.000 1.437) 7.424 10.880 ( -10.655 -0.000 -2.020) 10.845 11.105 ( -5.342 -0.000 -1.446) 5.535 11.793 ( 16.677 0.000 11.431) 20.219 12.875 ( 16.616 0.000 -24.792) 29.846 14.263 ( -0.426 -0.000 1.637) 1.691 14.380 ( 1.619 0.000 -0.732) 1.777 ======================= Grid point 146 (67/129) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 4.809 -2.448 12.210) 13.350 1.515 ( 4.992 -1.744 13.356) 14.364 1.802 ( -0.182 2.432 -1.089) 2.671 2.060 ( 10.587 -0.689 -11.994) 16.013 2.267 ( 1.580 1.962 -0.709) 2.617 2.366 ( -3.075 -4.172 1.486) 5.392 2.572 ( -6.211 -1.249 0.925) 6.402 2.947 ( -2.184 -3.119 -2.301) 4.449 2.974 ( -7.936 0.108 -3.466) 8.660 3.107 ( 0.575 -1.675 -6.904) 7.127 3.451 ( 1.378 3.023 7.615) 8.308 3.649 ( -5.026 0.390 4.988) 7.092 3.759 ( 6.315 11.356 -2.480) 13.228 3.810 ( 0.570 1.056 4.011) 4.187 3.894 ( -3.259 3.164 -6.557) 7.976 3.997 ( -0.354 -3.673 -5.773) 6.851 4.085 ( -0.679 4.417 -3.044) 5.407 4.175 ( 0.197 -3.259 -3.223) 4.588 4.233 ( 5.003 -4.238 -8.508) 10.741 4.361 ( -0.323 -2.849 0.191) 2.873 4.589 ( 0.892 -1.496 3.159) 3.607 4.647 ( -0.740 -0.569 -6.281) 6.350 4.842 ( -2.027 -1.116 3.633) 4.307 4.882 ( -2.064 1.095 2.955) 3.767 5.056 ( -0.076 0.784 -6.031) 6.082 5.492 ( 7.596 0.271 -12.923) 14.992 5.729 ( -7.952 2.976 5.035) 9.871 5.792 ( 0.282 -0.333 9.232) 9.242 6.088 ( 4.099 -0.374 7.251) 8.338 6.422 ( -9.461 2.731 1.074) 9.906 6.455 ( 1.583 0.416 4.370) 4.666 6.691 ( -0.674 0.105 8.818) 8.844 6.757 ( -0.523 -3.537 2.977) 4.652 6.951 ( -0.861 -0.025 -4.105) 4.194 7.449 ( -2.337 0.715 3.586) 4.340 7.485 ( -4.113 5.133 -2.370) 6.991 7.631 ( -4.335 -4.821 0.450) 6.499 7.847 ( 5.354 6.131 0.550) 8.158 7.971 ( 0.119 -2.303 4.211) 4.801 8.195 ( 0.563 -1.750 -0.512) 1.909 8.282 ( -0.925 -0.361 8.443) 8.501 8.936 ( -3.292 -0.441 6.567) 7.359 9.103 ( 1.965 0.323 -4.478) 4.901 10.050 ( 6.616 -1.187 -0.451) 6.737 10.336 ( -2.079 -0.413 2.353) 3.167 10.380 ( -1.575 3.277 -1.236) 3.840 10.503 ( 1.981 0.247 0.716) 2.121 10.630 ( -4.242 -1.408 0.280) 4.479 10.743 ( -2.502 2.306 -1.954) 3.924 11.049 ( -5.984 -7.347 0.728) 9.504 12.068 ( 10.511 6.212 11.500) 16.773 12.931 ( 5.350 -2.242 -22.898) 23.622 14.268 ( -0.386 -0.845 1.454) 1.726 14.416 ( 2.189 -0.784 -0.487) 2.376 ======================= Grid point 147 (68/129) ======================= q-point: (-0.62 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -0.101 1.059 9.126) 9.188 1.642 ( -1.324 -3.498 9.510) 10.219 1.694 ( -5.727 4.173 -0.726) 7.123 2.118 ( 3.361 0.435 -11.321) 11.817 2.241 ( -0.269 0.395 0.192) 0.515 2.449 ( 4.728 -4.238 1.196) 6.461 2.551 ( 1.220 -4.112 -2.312) 4.873 2.830 ( -7.309 -0.605 -0.894) 7.388 2.960 ( -0.398 -5.339 0.021) 5.354 3.100 ( -0.272 -3.801 -7.001) 7.971 3.401 ( -4.116 7.403 6.118) 10.449 3.524 ( -3.588 5.282 -4.912) 8.056 3.678 ( -3.856 4.826 0.591) 6.206 3.800 ( -2.144 5.868 -0.691) 6.285 3.874 ( 4.522 3.858 0.499) 5.965 4.020 ( 2.621 3.438 -4.522) 6.256 4.028 ( 1.958 0.293 0.684) 2.095 4.243 ( 2.335 -8.345 0.791) 8.702 4.335 ( 6.448 -3.952 -7.148) 10.406 4.436 ( 3.087 -5.011 -1.385) 6.046 4.569 ( -2.548 0.356 -6.843) 7.311 4.656 ( 1.267 -2.643 2.277) 3.711 4.766 ( -5.097 -2.294 -2.882) 6.289 4.919 ( 1.597 1.693 7.108) 7.479 5.024 ( 0.807 1.551 -4.258) 4.603 5.489 ( 0.563 -0.049 -11.059) 11.074 5.657 ( -0.109 4.480 4.308) 6.216 5.856 ( 0.876 -0.063 7.243) 7.296 6.167 ( 2.507 1.588 2.602) 3.947 6.284 ( -4.303 0.259 1.608) 4.601 6.527 ( 2.997 0.469 7.359) 7.959 6.726 ( -0.517 -0.893 5.790) 5.881 6.815 ( 0.387 -3.616 6.754) 7.671 6.903 ( -2.652 -0.476 -3.434) 4.365 7.362 ( -4.187 3.150 -1.905) 5.576 7.419 ( -2.322 -0.580 0.135) 2.397 7.601 ( -3.246 -1.797 1.558) 4.024 7.842 ( 1.760 7.544 3.300) 8.420 8.024 ( 1.265 -3.078 0.144) 3.331 8.212 ( -1.456 -1.752 3.654) 4.306 8.337 ( 1.522 0.040 6.999) 7.163 8.935 ( -1.520 -0.913 4.424) 4.766 9.109 ( 1.585 0.347 -2.383) 2.883 10.046 ( -2.126 4.357 -7.722) 9.118 10.306 ( -1.247 1.659 -0.247) 2.090 10.338 ( 0.174 -0.264 2.039) 2.063 10.541 ( 1.534 -0.469 -0.641) 1.727 10.605 ( -4.363 0.071 3.903) 5.855 10.804 ( 12.719 -0.462 -1.619) 12.830 11.043 ( -5.611 -8.929 4.376) 11.418 12.116 ( 1.257 13.882 5.070) 14.833 12.905 ( -0.627 -8.596 -18.123) 20.068 14.283 ( -0.257 -1.459 1.721) 2.271 14.455 ( 1.794 -0.307 -0.488) 1.885 ======================= Grid point 148 (69/129) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -7.036 7.442 8.467) 13.288 1.466 ( -10.154 7.441 4.955) 13.528 1.753 ( -0.028 -6.370 3.370) 7.206 2.060 ( -2.743 0.153 -8.355) 8.795 2.269 ( 1.767 -1.436 2.111) 3.105 2.562 ( 2.832 0.294 4.522) 5.344 2.654 ( 6.925 -5.581 -6.290) 10.894 2.737 ( -5.157 -1.982 1.382) 5.695 3.030 ( 1.861 -3.942 1.579) 4.636 3.103 ( -1.128 -6.109 -5.846) 8.530 3.260 ( -2.815 10.193 3.147) 11.032 3.397 ( -1.304 5.394 -4.865) 7.380 3.647 ( -0.758 -3.607 2.180) 4.282 3.663 ( -3.219 5.033 -1.735) 6.221 3.911 ( 0.069 -0.645 0.912) 1.120 4.012 ( 4.162 5.425 -3.710) 7.780 4.064 ( 3.214 2.439 -0.318) 4.047 4.384 ( 3.057 -4.790 -1.686) 5.928 4.393 ( -1.756 -2.578 -1.616) 3.513 4.490 ( 0.994 -4.696 -4.655) 6.686 4.526 ( 1.413 0.042 -1.309) 1.927 4.700 ( -0.898 -2.053 -3.243) 3.942 4.739 ( 2.317 -3.782 -1.455) 4.668 4.942 ( -0.051 2.053 -0.377) 2.088 5.023 ( 2.809 1.596 0.782) 3.324 5.439 ( -0.061 -0.383 -7.937) 7.946 5.631 ( -0.846 3.931 2.703) 4.845 5.893 ( 0.021 -0.439 4.100) 4.124 6.223 ( 4.454 0.604 1.486) 4.734 6.274 ( 1.548 -0.527 2.000) 2.583 6.590 ( -0.897 0.283 8.073) 8.128 6.748 ( -1.897 -2.164 3.637) 4.638 6.838 ( -2.157 -0.723 -4.244) 4.815 6.929 ( 3.442 -3.266 8.649) 9.865 7.252 ( -4.493 2.102 -1.964) 5.335 7.389 ( -2.206 -1.564 -0.446) 2.741 7.585 ( -1.329 -0.493 3.238) 3.534 7.810 ( 0.543 6.877 4.681) 8.337 8.076 ( 1.776 -3.725 -2.460) 4.804 8.220 ( -2.292 -1.273 5.446) 6.045 8.391 ( 1.290 1.253 5.458) 5.747 8.940 ( -0.749 -1.071 0.815) 1.540 9.135 ( 1.572 -0.309 3.006) 3.406 9.910 ( -0.421 6.193 -8.816) 10.782 10.278 ( -1.288 0.653 0.417) 1.503 10.360 ( 0.586 0.519 2.250) 2.382 10.501 ( -4.835 0.911 2.045) 5.328 10.617 ( 4.869 -0.073 -1.879) 5.220 10.985 ( 3.383 -2.295 -2.172) 4.629 11.137 ( 5.966 -4.968 10.720) 13.236 11.923 ( -6.205 15.621 -1.556) 16.880 12.879 ( -5.081 -12.589 -15.616) 20.692 14.303 ( -0.336 -1.261 2.124) 2.493 14.473 ( 0.906 0.706 -0.798) 1.398 ======================= Grid point 149 (70/129) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -9.720 9.971 11.297) 17.931 1.270 ( -8.133 9.832 9.971) 16.194 1.772 ( -4.889 -0.860 3.711) 6.198 1.954 ( -4.686 1.037 -4.870) 6.838 2.331 ( 2.013 -0.060 3.550) 4.082 2.542 ( -5.150 5.735 5.013) 9.194 2.728 ( -0.564 -4.104 3.854) 5.658 2.785 ( 6.655 -3.878 -5.946) 9.730 3.046 ( -0.349 4.686 -0.121) 4.701 3.129 ( 4.892 -3.803 -2.572) 6.709 3.259 ( 1.456 -3.503 -1.087) 3.946 3.358 ( 3.931 -0.597 -5.135) 6.494 3.583 ( -2.206 -1.383 0.238) 2.615 3.724 ( 0.405 -5.239 3.996) 6.601 3.918 ( -0.396 -1.409 -0.495) 1.545 3.976 ( 1.101 3.620 -7.572) 8.465 4.098 ( 3.349 2.953 2.022) 4.902 4.321 ( -3.513 0.857 3.211) 4.836 4.440 ( -1.103 -0.394 -4.104) 4.268 4.517 ( 0.751 -5.648 -3.533) 6.704 4.563 ( 3.039 2.137 -3.745) 5.275 4.693 ( 0.248 -2.271 -4.247) 4.823 4.814 ( 1.776 -3.264 -1.646) 4.064 4.914 ( 1.661 1.537 -2.662) 3.494 5.056 ( 1.933 1.700 -0.481) 2.619 5.407 ( 0.308 -0.367 -7.543) 7.559 5.590 ( -2.424 1.625 5.245) 6.002 5.918 ( 0.258 -0.295 1.690) 1.735 6.281 ( 3.924 1.570 2.854) 5.100 6.394 ( 5.698 -4.208 3.373) 7.845 6.583 ( -4.550 -0.479 8.157) 9.352 6.726 ( -3.489 -1.868 -2.760) 4.826 6.824 ( 0.719 -3.253 -1.667) 3.725 7.039 ( 1.877 2.365 0.998) 3.180 7.174 ( -1.943 -2.265 3.001) 4.232 7.376 ( -2.164 -3.432 1.064) 4.195 7.600 ( -0.726 -0.821 5.022) 5.140 7.782 ( 1.032 5.840 4.256) 7.300 8.128 ( 2.172 -3.577 -4.814) 6.379 8.218 ( -2.821 -0.934 5.525) 6.273 8.410 ( -0.119 2.235 4.371) 4.911 8.941 ( 0.614 -1.305 -3.751) 4.019 9.204 ( 0.534 -2.212 9.917) 10.175 9.844 ( 4.506 5.246 -7.724) 10.368 10.253 ( -1.312 0.637 1.700) 2.240 10.361 ( -0.370 1.116 3.631) 3.816 10.444 ( -1.282 1.303 0.942) 2.057 10.732 ( 9.990 0.321 -1.104) 10.056 10.998 ( -3.314 -3.465 0.710) 4.847 11.346 ( 8.308 2.212 8.061) 11.785 11.641 ( -8.489 11.457 -1.506) 14.339 12.772 ( -11.708 -11.571 -18.770) 24.966 14.313 ( -0.914 -0.137 2.314) 2.492 14.466 ( 0.388 1.576 -1.316) 2.089 ======================= Grid point 150 (71/129) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -7.168 9.619 15.035) 19.234 1.102 ( -6.317 12.071 14.130) 19.628 1.678 ( -6.716 4.631 11.973) 14.488 1.822 ( -4.655 3.846 -3.916) 7.197 2.314 ( -1.220 10.117 -0.113) 10.191 2.445 ( -3.481 -0.722 8.319) 9.046 2.814 ( 1.435 -4.701 5.112) 7.092 2.912 ( 6.566 -4.904 -3.477) 8.902 3.036 ( 3.198 1.711 -3.893) 5.321 3.236 ( 5.339 -2.154 -4.623) 7.384 3.268 ( -1.145 -0.223 -0.515) 1.275 3.435 ( 3.582 -4.151 -6.665) 8.630 3.611 ( -1.339 -6.030 -0.209) 6.181 3.791 ( -0.652 -4.432 4.885) 6.628 3.892 ( 1.067 0.413 -0.873) 1.439 3.979 ( 1.797 -2.914 -2.314) 4.132 4.147 ( 2.743 -0.083 1.495) 3.125 4.284 ( -2.172 0.791 1.306) 2.655 4.402 ( -1.353 -0.333 0.831) 1.622 4.498 ( -0.121 1.629 -13.584) 13.682 4.559 ( 1.894 3.797 -0.353) 4.258 4.711 ( 0.829 -3.199 -3.228) 4.620 4.832 ( -3.116 -3.464 1.840) 5.010 4.952 ( 6.058 2.093 -5.172) 8.236 5.047 ( 0.453 1.685 -2.718) 3.230 5.362 ( -0.275 0.738 -7.769) 7.809 5.589 ( -2.119 -1.238 8.785) 9.121 5.912 ( -0.201 1.989 -0.918) 2.200 6.379 ( 2.745 -1.539 7.754) 8.369 6.522 ( 2.071 -3.546 2.815) 4.979 6.571 ( -2.536 -3.800 8.402) 9.563 6.655 ( -4.198 -1.585 -3.851) 5.913 6.885 ( 2.247 -1.280 -4.760) 5.417 6.961 ( -2.021 1.308 -4.389) 5.006 7.251 ( 2.133 -2.698 4.712) 5.833 7.402 ( -1.510 -6.405 2.363) 6.992 7.610 ( -4.264 -3.390 6.578) 8.540 7.789 ( 3.627 4.574 2.715) 6.438 8.159 ( 1.183 -1.951 -5.827) 6.258 8.190 ( -3.065 0.836 1.350) 3.452 8.395 ( -2.229 1.601 5.357) 6.019 8.956 ( 2.912 -1.948 -6.956) 7.788 9.271 ( -4.339 -4.392 11.503) 13.055 9.830 ( 3.228 5.586 -8.307) 10.518 10.262 ( 0.611 -1.547 1.965) 2.574 10.406 ( 1.165 1.494 1.030) 2.157 10.475 ( 6.876 -4.989 6.853) 10.914 10.920 ( 2.474 -4.292 1.752) 5.255 10.974 ( 4.970 1.432 0.731) 5.224 11.379 ( 1.506 10.568 -2.083) 10.876 11.489 ( -2.780 3.468 10.365) 11.277 12.487 ( -15.597 -2.113 -22.111) 27.141 14.299 ( -1.381 1.196 2.401) 3.017 14.442 ( 0.046 2.376 -1.876) 3.027 ======================= Grid point 151 (72/129) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -1.265 6.703 16.680) 18.021 0.988 ( -2.039 11.619 16.845) 20.564 1.640 ( -2.254 4.600 19.468) 20.131 1.715 ( 1.340 3.737 -7.125) 8.157 2.194 ( -0.086 8.967 1.222) 9.050 2.467 ( -1.367 -0.787 7.623) 7.784 2.898 ( -0.061 -4.531 3.646) 5.816 2.996 ( -1.839 0.487 1.008) 2.153 3.095 ( 7.935 -3.721 -7.978) 11.851 3.217 ( -1.697 1.892 -2.410) 3.503 3.311 ( 4.199 -0.587 -5.652) 7.066 3.450 ( -3.088 -4.982 -4.899) 7.640 3.635 ( 2.417 -1.077 -0.352) 2.669 3.838 ( -1.684 -3.050 4.104) 5.383 3.961 ( 1.915 -5.445 0.623) 5.806 4.087 ( 6.072 -4.526 2.533) 7.986 4.176 ( -1.422 -2.181 -1.479) 2.994 4.251 ( -0.372 -0.412 -1.379) 1.486 4.357 ( -3.951 -0.271 -9.550) 10.339 4.427 ( 0.816 2.056 -4.885) 5.363 4.561 ( 4.847 5.653 3.228) 8.116 4.713 ( -2.444 -0.754 -1.996) 3.244 4.792 ( -5.961 -1.213 2.972) 6.770 5.004 ( 5.554 1.169 -6.770) 8.835 5.031 ( 2.088 0.984 -3.631) 4.302 5.323 ( 1.633 0.299 -7.606) 7.785 5.623 ( -2.140 -2.036 10.319) 10.734 5.878 ( 0.424 2.913 -1.580) 3.341 6.414 ( -3.211 0.723 8.761) 9.359 6.559 ( -8.751 -4.941 0.885) 10.088 6.596 ( -0.991 -2.431 5.075) 5.713 6.700 ( 4.704 -5.727 1.699) 7.604 6.750 ( -6.622 2.936 -5.004) 8.804 7.006 ( 2.918 -2.794 -5.377) 6.725 7.326 ( 0.849 -2.644 4.875) 5.611 7.464 ( 0.971 -3.969 2.710) 4.903 7.618 ( -5.090 -8.891 5.264) 11.517 7.831 ( 3.983 3.213 1.641) 5.374 8.064 ( -7.242 4.454 -1.312) 8.603 8.172 ( 2.655 0.798 -7.512) 8.007 8.368 ( -4.179 -0.008 7.473) 8.562 9.001 ( 4.605 -2.183 -8.456) 9.873 9.246 ( -11.334 -5.227 10.164) 16.096 9.758 ( 2.927 8.767 -5.886) 10.958 10.310 ( 1.182 -2.885 1.828) 3.614 10.397 ( -0.198 0.654 -0.099) 0.690 10.723 ( -1.479 -11.259 4.879) 12.360 10.855 ( -5.908 -5.099 -1.185) 7.894 11.136 ( 7.742 1.506 6.245) 10.060 11.334 ( -6.584 2.695 1.470) 7.264 11.413 ( -4.039 7.055 4.587) 9.334 12.264 ( 17.431 9.275 -18.666) 27.171 14.276 ( -1.090 1.477 2.468) 3.076 14.404 ( -0.102 2.729 -1.780) 3.260 ======================= Grid point 154 (73/129) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 3.686 0.000 9.309) 10.012 1.599 ( -1.441 -0.000 10.645) 10.742 1.752 ( -6.648 -0.000 -0.304) 6.655 2.124 ( 4.294 0.000 -13.061) 13.748 2.252 ( -3.305 -0.000 -0.584) 3.356 2.386 ( 8.896 0.000 -2.928) 9.366 2.513 ( -1.315 -0.000 3.907) 4.123 2.828 ( -7.837 -0.000 0.675) 7.866 2.897 ( -0.636 -0.000 -0.525) 0.825 3.060 ( -0.426 -0.000 -7.266) 7.279 3.466 ( -3.647 -0.000 4.583) 5.857 3.575 ( -3.796 -0.000 -3.111) 4.908 3.759 ( -7.903 -0.000 -3.335) 8.578 3.859 ( -1.015 -0.000 -1.962) 2.209 3.982 ( 9.424 0.000 -0.886) 9.466 3.987 ( 4.760 0.000 7.213) 8.642 4.085 ( -0.999 -0.000 -6.166) 6.247 4.131 ( -1.109 -0.000 -1.704) 2.033 4.276 ( 8.069 0.000 -6.591) 10.419 4.367 ( 2.934 0.000 0.286) 2.948 4.577 ( -2.212 -0.000 -7.234) 7.565 4.628 ( 1.709 0.000 3.782) 4.151 4.736 ( -6.003 -0.000 -3.148) 6.778 4.938 ( 1.188 0.000 7.528) 7.621 5.039 ( 1.130 0.000 -4.739) 4.872 5.487 ( 0.596 0.000 -11.871) 11.885 5.719 ( 1.094 0.000 3.686) 3.845 5.841 ( -0.786 -0.000 7.470) 7.512 6.195 ( 4.395 0.000 3.458) 5.592 6.277 ( -7.304 -0.000 0.297) 7.310 6.526 ( 1.993 0.000 6.893) 7.175 6.749 ( 0.145 0.000 14.753) 14.754 6.750 ( 0.645 0.000 -1.099) 1.275 6.902 ( -2.292 -0.000 -3.845) 4.476 7.404 ( -5.065 -0.000 -3.109) 5.943 7.406 ( -3.918 -0.000 0.659) 3.973 7.579 ( -1.395 -0.000 2.629) 2.976 7.946 ( -3.832 -0.000 7.456) 8.383 7.965 ( 5.108 0.000 -4.913) 7.087 8.195 ( -0.400 -0.000 3.335) 3.359 8.338 ( 1.858 0.000 7.823) 8.040 8.925 ( -1.438 -0.000 4.517) 4.740 9.114 ( 1.536 0.000 -2.836) 3.226 10.085 ( -0.487 -0.000 -6.154) 6.173 10.334 ( 0.546 0.000 2.074) 2.145 10.339 ( -2.905 -0.000 -1.940) 3.493 10.529 ( 2.007 0.000 -2.739) 3.395 10.602 ( -4.318 -0.000 5.851) 7.272 10.802 ( 12.583 0.000 -2.382) 12.807 10.950 ( -3.567 -0.000 5.487) 6.545 12.284 ( 3.114 0.000 10.478) 10.931 12.793 ( -4.295 -0.000 -23.013) 23.410 14.268 ( -0.003 -0.000 1.507) 1.507 14.451 ( 2.244 0.000 -0.214) 2.254 ======================= Grid point 155 (74/129) ======================= q-point: (-0.62 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -0.884 5.237 7.372) 9.086 1.587 ( -8.797 3.634 4.380) 10.478 1.635 ( -1.966 -4.891 5.551) 7.655 2.055 ( -4.303 -0.459 -6.664) 7.946 2.259 ( 4.168 0.128 -2.846) 5.048 2.539 ( 4.761 -1.573 4.956) 7.050 2.565 ( 7.061 -2.567 -3.331) 8.218 2.724 ( -5.365 0.086 3.177) 6.236 2.921 ( 0.813 -4.063 0.881) 4.236 3.016 ( -1.459 -2.159 -6.734) 7.220 3.438 ( -0.598 4.095 4.964) 6.463 3.485 ( -2.218 2.625 -6.827) 7.643 3.616 ( -5.243 0.446 -0.225) 5.267 3.767 ( -5.402 3.929 -2.731) 7.216 3.945 ( -2.155 5.691 0.855) 6.145 4.070 ( 1.154 0.172 -6.603) 6.705 4.144 ( 5.984 3.837 1.908) 7.361 4.206 ( 4.142 -9.780 2.785) 10.980 4.382 ( 3.805 0.110 -1.279) 4.015 4.398 ( -0.586 -3.358 -5.524) 6.491 4.544 ( 2.641 0.727 -1.674) 3.210 4.646 ( -2.213 -3.148 -4.686) 6.064 4.681 ( 1.976 -1.010 1.612) 2.743 4.986 ( 0.771 1.700 4.172) 4.570 5.037 ( 1.557 0.023 -3.213) 3.571 5.430 ( -0.297 -0.331 -9.159) 9.170 5.729 ( 0.141 5.236 1.554) 5.464 5.850 ( -2.560 -3.621 3.081) 5.400 6.220 ( 0.916 -0.173 2.326) 2.506 6.280 ( 4.050 0.245 -0.108) 4.059 6.570 ( -2.670 -1.066 8.604) 9.072 6.734 ( -1.695 -0.107 -0.517) 1.775 6.839 ( -1.575 0.809 -2.478) 3.045 6.878 ( 3.915 -1.872 11.495) 12.287 7.298 ( -4.383 2.318 -2.117) 5.391 7.347 ( -4.041 -2.288 -0.729) 4.701 7.584 ( -0.027 0.185 3.854) 3.859 7.897 ( -4.369 2.051 7.187) 8.657 8.020 ( 3.297 -1.687 -4.949) 6.181 8.209 ( -0.835 -0.065 4.942) 5.012 8.409 ( 1.988 0.497 5.945) 6.288 8.927 ( -0.711 -0.307 1.690) 1.859 9.132 ( 1.545 -0.050 0.548) 1.640 9.997 ( -1.527 2.333 -10.099) 10.477 10.296 ( -1.155 0.847 -0.342) 1.473 10.366 ( 1.384 0.091 1.799) 2.272 10.523 ( -3.489 1.598 2.584) 4.627 10.579 ( 2.568 -2.975 -2.729) 4.785 10.950 ( -1.494 -0.874 6.798) 7.015 11.089 ( 17.099 -0.754 4.187) 17.621 12.228 ( -6.042 13.763 1.086) 15.070 12.621 ( -8.563 -12.361 -16.963) 22.669 14.284 ( 0.411 -0.544 1.946) 2.062 14.481 ( 1.334 0.160 -0.289) 1.374 ======================= Grid point 156 (75/129) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -7.932 9.023 9.001) 15.012 1.447 ( -4.801 7.739 8.163) 12.230 1.714 ( 0.433 -4.642 2.582) 5.329 1.955 ( -4.474 -0.852 -4.060) 6.102 2.329 ( 3.744 0.457 3.542) 5.174 2.622 ( 0.819 -0.970 6.503) 6.626 2.675 ( -2.506 1.060 4.125) 4.942 2.720 ( 7.855 -2.000 -3.913) 9.001 2.984 ( -0.069 -6.994 -5.183) 8.706 3.022 ( 2.357 -5.768 -1.698) 6.458 3.357 ( -2.516 8.063 2.007) 8.682 3.409 ( 2.572 5.998 -4.890) 8.155 3.577 ( -5.198 -1.272 2.193) 5.783 3.652 ( -0.673 -0.411 1.349) 1.563 3.890 ( -1.278 -0.088 -0.987) 1.617 4.028 ( -0.692 0.622 -9.672) 9.716 4.170 ( 1.550 3.614 -0.753) 4.003 4.344 ( -1.231 -6.515 0.058) 6.630 4.372 ( -1.799 0.794 3.982) 4.441 4.414 ( 2.711 -2.757 -2.155) 4.427 4.596 ( 5.917 1.114 -4.973) 7.809 4.657 ( 0.129 -1.916 -0.291) 1.943 4.744 ( 2.417 -3.089 -2.200) 4.497 4.962 ( 0.488 3.158 -2.119) 3.834 5.064 ( 1.053 -0.846 -0.468) 1.430 5.392 ( 0.543 -0.943 -8.425) 8.495 5.656 ( -2.860 4.778 2.317) 6.032 5.872 ( -1.008 -4.134 1.379) 4.473 6.307 ( 4.233 -3.600 3.336) 6.481 6.338 ( 4.948 2.878 -0.676) 5.763 6.553 ( -6.133 -1.753 8.976) 11.012 6.692 ( -2.994 -1.553 -2.533) 4.218 6.806 ( 1.092 0.820 -3.080) 3.369 7.031 ( 4.241 -2.616 8.647) 9.980 7.180 ( -5.183 2.596 -2.934) 6.497 7.304 ( -4.411 -3.413 0.346) 5.588 7.611 ( -0.030 1.152 6.819) 6.915 7.847 ( -3.441 1.173 6.205) 7.192 8.066 ( 2.634 -2.559 -4.353) 5.696 8.216 ( -1.043 0.610 4.569) 4.726 8.450 ( 0.729 1.500 3.594) 3.962 8.924 ( -0.061 -0.396 -1.295) 1.355 9.176 ( 1.015 -0.863 5.198) 5.366 9.919 ( 2.080 2.488 -10.080) 10.589 10.270 ( -0.925 1.039 0.419) 1.453 10.380 ( -0.055 0.697 2.066) 2.181 10.465 ( -2.840 0.665 1.351) 3.215 10.699 ( 8.961 -2.529 -0.989) 9.364 10.959 ( -2.514 -0.782 5.363) 5.974 11.392 ( 14.481 2.083 6.787) 16.128 11.912 ( -9.859 15.136 -4.883) 18.712 12.517 ( -10.868 -14.079 -13.919) 22.585 14.308 ( 0.298 -0.303 2.310) 2.349 14.488 ( 0.433 0.725 -0.636) 1.057 ======================= Grid point 157 (76/129) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -5.943 10.708 12.143) 17.246 1.335 ( -3.228 11.130 11.266) 16.162 1.737 ( -1.360 0.816 3.423) 3.772 1.876 ( -3.060 0.854 -3.027) 4.388 2.406 ( 1.693 0.328 8.388) 8.563 2.569 ( -3.370 10.886 4.402) 12.216 2.710 ( -0.286 -5.085 6.551) 8.298 2.826 ( 3.696 -3.618 -0.141) 5.174 3.045 ( 2.886 -3.972 -5.760) 7.569 3.115 ( 2.631 -6.101 -4.965) 8.294 3.300 ( 1.798 3.237 1.248) 3.908 3.409 ( 4.991 2.208 -5.173) 7.520 3.519 ( -2.518 -2.554 0.141) 3.589 3.702 ( -0.745 -3.916 5.721) 6.973 3.883 ( -1.406 -4.018 -1.852) 4.643 3.943 ( -0.453 1.690 -9.110) 9.277 4.160 ( 0.289 0.442 0.247) 0.583 4.312 ( -2.718 0.604 -2.165) 3.527 4.365 ( -1.507 -1.647 4.166) 4.726 4.504 ( 3.491 -1.127 -5.513) 6.622 4.628 ( 2.944 2.555 -2.748) 4.769 4.672 ( 0.489 -0.577 0.070) 0.759 4.766 ( -1.033 -2.627 -2.099) 3.518 4.976 ( 4.707 0.604 -2.675) 5.448 5.063 ( -0.466 -0.156 -3.271) 3.308 5.365 ( 0.574 -0.495 -8.969) 9.001 5.591 ( -2.981 1.881 5.990) 6.950 5.901 ( -1.162 -3.387 1.421) 3.853 6.386 ( 3.755 2.636 2.262) 5.115 6.435 ( 2.670 -4.968 2.620) 6.219 6.509 ( -6.842 -2.306 9.525) 11.952 6.640 ( -2.322 -0.238 -2.634) 3.520 6.843 ( 5.513 -1.649 -5.177) 7.740 7.029 ( -6.246 3.320 -5.420) 8.911 7.168 ( 2.848 -5.254 5.030) 7.811 7.270 ( -4.444 -4.609 1.743) 6.636 7.605 ( -4.932 1.020 9.551) 10.797 7.842 ( 0.706 1.184 4.865) 5.057 8.105 ( 0.423 -3.242 -2.712) 4.248 8.213 ( 0.092 1.546 1.257) 1.994 8.440 ( -1.448 2.390 2.349) 3.650 8.926 ( 1.270 -0.840 -3.269) 3.607 9.221 ( -1.970 -1.442 8.131) 8.489 9.902 ( 3.989 2.094 -9.684) 10.681 10.252 ( -0.423 0.609 1.355) 1.544 10.415 ( 2.323 -0.680 1.161) 2.685 10.428 ( -0.450 -0.432 2.042) 2.135 10.830 ( -3.704 -3.659 2.916) 5.967 10.994 ( 8.889 0.278 0.898) 8.939 11.575 ( 2.713 4.571 10.308) 11.598 11.617 ( -2.481 13.062 -4.221) 13.949 12.375 ( -7.632 -8.749 -17.137) 20.699 14.319 ( -0.288 0.723 2.436) 2.558 14.477 ( 0.052 1.257 -1.152) 1.706 ======================= Grid point 158 (77/129) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -2.112 10.253 13.563) 17.133 1.245 ( -0.553 13.357 12.931) 18.599 1.732 ( -0.115 3.679 9.244) 9.950 1.798 ( 0.153 3.696 -5.288) 6.453 2.418 ( -3.464 11.030 6.870) 13.448 2.461 ( 0.459 2.052 6.924) 7.237 2.793 ( -0.970 -6.095 6.255) 8.787 2.946 ( 4.392 -6.631 1.354) 8.068 3.050 ( -1.011 0.684 -4.354) 4.522 3.181 ( 2.365 -5.959 -7.401) 9.791 3.324 ( 2.461 2.617 -0.102) 3.594 3.412 ( 0.906 1.872 -7.994) 8.260 3.565 ( 2.550 -5.061 0.801) 5.723 3.754 ( -1.891 -4.830 4.987) 7.195 3.881 ( -1.485 -3.570 -1.937) 4.325 3.958 ( 4.751 -6.101 -4.620) 9.008 4.164 ( -0.657 0.379 1.905) 2.050 4.258 ( -1.255 0.184 -4.305) 4.488 4.355 ( -3.079 0.356 0.432) 3.130 4.464 ( 0.376 1.852 -9.406) 9.594 4.662 ( 3.503 3.878 3.071) 6.061 4.690 ( 0.607 -1.366 -0.772) 1.682 4.757 ( -2.820 -1.949 1.606) 3.786 5.018 ( 0.051 0.227 -3.990) 3.996 5.051 ( 4.640 0.454 -6.560) 8.048 5.329 ( 1.580 0.250 -8.977) 9.119 5.584 ( -2.744 -1.304 9.458) 9.934 5.908 ( -1.277 -1.141 0.786) 1.884 6.420 ( -2.357 -0.217 5.006) 5.538 6.459 ( -8.300 -3.213 9.453) 12.984 6.520 ( -1.535 -4.513 4.604) 6.627 6.628 ( 4.098 -0.723 -1.519) 4.430 6.821 ( -7.419 3.119 -8.029) 11.369 6.959 ( 5.732 -2.251 -5.842) 8.488 7.270 ( -0.038 -3.129 2.092) 3.764 7.299 ( 0.460 -8.965 2.672) 9.366 7.548 ( -6.471 -0.675 10.104) 12.018 7.881 ( 2.011 1.865 4.964) 5.671 8.094 ( -3.934 -1.130 -0.262) 4.101 8.207 ( 2.937 2.471 -5.115) 6.395 8.387 ( -3.814 1.930 4.122) 5.938 8.952 ( 2.456 -1.871 -4.088) 5.123 9.205 ( -6.185 -0.288 8.220) 10.291 9.890 ( 4.100 4.484 -7.745) 9.844 10.266 ( 0.738 -1.184 1.792) 2.271 10.393 ( -1.221 -0.664 -1.678) 2.179 10.560 ( 2.590 -5.199 5.477) 7.983 10.750 ( -6.416 -5.099 -0.988) 8.255 11.163 ( 6.965 1.179 5.687) 9.069 11.396 ( -13.474 3.240 2.374) 14.059 11.597 ( 2.945 11.054 2.179) 11.646 12.354 ( 13.917 -0.445 -17.844) 22.634 14.311 ( -0.675 1.765 2.465) 3.106 14.453 ( -0.098 1.991 -1.571) 2.538 ======================= Grid point 159 (78/129) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 4.045 6.988 14.131) 16.275 1.216 ( 4.378 11.985 13.733) 18.746 1.724 ( -0.653 2.446 5.288) 5.862 1.821 ( 8.763 3.695 -3.846) 10.259 2.313 ( -1.111 8.974 5.526) 10.598 2.467 ( -2.401 0.438 6.038) 6.512 2.834 ( -4.530 -3.363 1.778) 5.916 2.982 ( -1.311 1.304 2.372) 3.008 3.114 ( 5.445 -6.191 -3.939) 9.138 3.212 ( 1.823 0.887 -8.474) 8.713 3.326 ( -0.675 -3.177 0.837) 3.354 3.354 ( -0.352 0.827 -3.587) 3.698 3.676 ( 4.464 -3.110 0.754) 5.493 3.770 ( -4.108 -4.557 3.240) 6.939 3.908 ( -1.021 -6.743 -2.250) 7.182 4.090 ( 0.861 -6.616 -5.498) 8.646 4.150 ( -0.429 -1.000 2.237) 2.487 4.216 ( 2.445 0.099 -11.606) 11.861 4.278 ( -2.456 3.563 1.129) 4.473 4.420 ( -0.418 0.528 -4.879) 4.925 4.672 ( -1.650 2.378 -2.291) 3.691 4.699 ( 0.645 1.459 4.793) 5.052 4.737 ( 0.091 1.686 3.891) 4.241 4.989 ( -1.448 -1.220 -2.689) 3.289 5.081 ( 3.608 0.027 -8.708) 9.426 5.338 ( 5.521 0.482 -8.927) 10.507 5.621 ( -1.674 -2.818 10.954) 11.433 5.901 ( -0.448 -0.210 0.695) 0.853 6.284 ( -17.748 -1.535 5.627) 18.682 6.412 ( -2.543 0.563 5.769) 6.330 6.536 ( -6.246 -6.337 6.199) 10.844 6.665 ( -0.326 2.724 -5.548) 6.189 6.761 ( 5.259 -2.425 2.293) 6.229 7.011 ( 1.484 0.103 -4.286) 4.536 7.317 ( -0.023 -4.536 4.059) 6.087 7.406 ( 0.406 -8.368 0.338) 8.385 7.555 ( -0.565 -4.061 7.719) 8.740 7.919 ( 1.393 1.763 4.744) 5.249 7.983 ( -6.160 4.718 -1.101) 7.837 8.208 ( 3.739 2.499 -7.003) 8.323 8.331 ( -4.982 0.433 7.522) 9.033 8.991 ( 0.780 -2.737 -2.428) 3.741 9.125 ( -5.632 1.521 5.466) 7.994 9.888 ( 6.122 6.378 -3.778) 9.614 10.315 ( 1.333 -2.534 1.893) 3.433 10.378 ( -0.789 -1.044 -0.869) 1.571 10.539 ( -8.648 -3.205 3.776) 9.966 10.785 ( -0.349 -4.466 0.631) 4.523 11.087 ( -18.444 1.806 0.493) 18.538 11.336 ( 8.386 -2.295 9.452) 12.842 11.507 ( 1.518 12.117 -2.070) 12.386 12.623 ( 24.746 -0.533 -19.612) 31.579 14.293 ( -0.660 2.011 2.338) 3.154 14.423 ( 0.298 2.499 -1.430) 2.895 ======================= Grid point 163 (79/129) ======================= q-point: (-0.62 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -7.880 -0.000 7.643) 10.978 1.561 ( -4.032 -0.000 7.928) 8.894 1.624 ( 3.372 0.000 3.156) 4.619 1.939 ( -5.168 -0.000 -2.794) 5.875 2.338 ( 4.578 0.000 1.335) 4.769 2.596 ( 0.403 0.000 8.887) 8.896 2.687 ( -1.786 -0.000 5.403) 5.690 2.708 ( 11.244 0.000 -5.455) 12.497 2.919 ( 1.766 0.000 -1.261) 2.170 2.945 ( -1.281 -0.000 -6.139) 6.271 3.419 ( -1.861 -0.000 -8.463) 8.665 3.506 ( 0.683 0.000 5.760) 5.800 3.552 ( -2.175 -0.000 2.364) 3.213 3.678 ( -4.781 -0.000 -1.533) 5.021 3.948 ( -1.500 -0.000 -2.694) 3.084 3.981 ( -5.995 -0.000 0.877) 6.059 4.187 ( -0.573 -0.000 -11.107) 11.122 4.258 ( 3.111 0.000 1.069) 3.290 4.367 ( 3.982 0.000 0.473) 4.010 4.426 ( -1.838 -0.000 4.671) 5.019 4.611 ( 3.028 0.000 1.695) 3.470 4.617 ( 5.048 0.000 -7.566) 9.095 4.717 ( 2.470 0.000 -0.515) 2.523 5.017 ( 0.025 0.000 -5.916) 5.916 5.034 ( 0.388 0.000 3.479) 3.500 5.381 ( 0.566 0.000 -9.063) 9.081 5.750 ( -4.717 -0.000 1.106) 4.845 5.784 ( -0.090 -0.000 0.923) 0.927 6.265 ( 2.837 0.000 3.731) 4.687 6.373 ( 6.565 0.000 -2.067) 6.883 6.534 ( -5.797 -0.000 8.328) 10.147 6.674 ( -3.049 -0.000 -2.270) 3.801 6.823 ( 0.851 0.000 -3.679) 3.776 6.995 ( 2.407 0.000 10.555) 10.825 7.231 ( -5.243 -0.000 -3.135) 6.109 7.249 ( -3.589 -0.000 -0.234) 3.596 7.624 ( 0.049 0.000 7.412) 7.412 7.854 ( -4.821 -0.000 7.258) 8.713 8.038 ( 2.320 0.000 -4.029) 4.649 8.225 ( -0.372 -0.000 4.104) 4.120 8.465 ( 1.056 0.000 3.401) 3.561 8.921 ( -0.045 -0.000 -0.780) 0.782 9.167 ( 1.205 0.000 3.550) 3.749 9.944 ( 1.026 0.000 -10.842) 10.890 10.283 ( -0.600 -0.000 0.155) 0.620 10.386 ( 0.257 0.000 -0.150) 0.298 10.470 ( -4.193 -0.000 2.489) 4.876 10.670 ( 9.630 0.000 0.475) 9.641 10.953 ( -2.324 -0.000 5.964) 6.401 11.414 ( 16.368 0.000 6.120) 17.475 12.191 ( -10.874 -0.000 -0.603) 10.891 12.250 ( -10.157 -0.000 -17.386) 20.136 14.304 ( 0.743 0.000 2.281) 2.399 14.495 ( 0.456 0.000 -0.377) 0.591 ======================= Grid point 165 (80/129) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -4.960 5.791 10.040) 12.607 1.523 ( -0.876 7.103 9.709) 12.062 1.709 ( 1.747 -3.058 1.815) 3.962 1.861 ( -3.386 -1.386 -1.490) 3.950 2.412 ( 1.150 0.088 8.266) 8.346 2.645 ( -1.237 -1.117 8.090) 8.260 2.701 ( -1.106 1.169 7.035) 7.217 2.818 ( 2.552 3.458 -0.309) 4.309 2.930 ( 5.492 -3.959 -8.145) 10.592 2.997 ( 4.922 -5.785 -6.817) 10.206 3.362 ( 1.381 1.874 -4.424) 4.999 3.484 ( -4.624 -0.838 0.623) 4.741 3.530 ( 1.952 5.567 3.194) 6.708 3.662 ( 0.424 0.310 4.438) 4.469 3.837 ( -5.556 1.544 -1.473) 5.952 3.947 ( -1.808 -3.245 -5.054) 6.272 4.114 ( -1.889 -3.943 -8.545) 9.599 4.287 ( -0.051 -0.354 -0.002) 0.357 4.399 ( -1.627 2.239 3.774) 4.680 4.474 ( 5.652 -1.196 -0.126) 5.778 4.649 ( -0.065 -0.913 0.243) 0.947 4.667 ( 2.959 0.427 -2.170) 3.694 4.747 ( 2.104 0.271 -4.304) 4.799 4.988 ( 2.141 0.632 -4.324) 4.866 5.047 ( -0.928 -1.006 -0.525) 1.466 5.351 ( 1.354 -0.546 -9.486) 9.598 5.658 ( -3.511 4.158 2.710) 6.080 5.805 ( -2.304 -5.119 2.330) 6.078 6.349 ( 2.503 -2.713 3.586) 5.146 6.452 ( 2.389 2.185 -0.526) 3.280 6.483 ( -2.886 -0.049 6.441) 7.058 6.631 ( -0.814 -0.769 -2.313) 2.570 6.831 ( 3.177 0.242 -3.779) 4.943 7.026 ( -7.184 -2.492 1.787) 7.811 7.142 ( 0.913 2.209 -0.861) 2.541 7.206 ( -3.268 -2.548 0.431) 4.166 7.621 ( -6.467 0.422 10.964) 12.736 7.855 ( 0.889 0.341 6.281) 6.353 8.052 ( 0.093 -1.627 -1.500) 2.215 8.237 ( 0.280 0.703 2.061) 2.195 8.475 ( -0.737 0.996 0.929) 1.549 8.920 ( 0.987 0.020 -2.043) 2.269 9.203 ( -0.528 -0.482 5.357) 5.404 9.926 ( 3.795 0.501 -10.242) 10.934 10.276 ( -0.006 1.250 0.709) 1.437 10.391 ( 0.630 -1.285 -1.067) 1.785 10.429 ( -1.611 0.214 2.245) 2.772 10.784 ( -4.213 -1.066 3.927) 5.857 10.994 ( 9.404 -0.098 0.806) 9.439 11.640 ( 1.424 1.754 11.047) 11.276 11.885 ( -2.928 13.409 -8.296) 16.037 12.164 ( -3.510 -11.978 -12.241) 17.482 14.328 ( 0.451 0.180 2.453) 2.501 14.493 ( -0.063 0.389 -0.655) 0.764 ======================= Grid point 166 (81/129) ======================= q-point: (-0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -2.114 9.353 10.657) 14.335 1.492 ( 1.257 11.262 10.479) 15.435 1.761 ( 0.543 -0.858 4.520) 4.632 1.828 ( -0.605 -0.815 -3.090) 3.252 2.460 ( -1.980 0.367 10.390) 10.584 2.658 ( -2.015 8.236 4.006) 9.378 2.671 ( -2.340 -4.945 5.714) 7.911 2.827 ( -0.968 -3.638 5.636) 6.778 3.045 ( 4.657 -3.337 -6.624) 8.758 3.057 ( 2.166 -3.931 -8.237) 9.380 3.386 ( 4.012 3.185 -2.613) 5.751 3.479 ( 3.020 -3.026 -1.067) 4.406 3.524 ( 3.301 8.614 1.266) 9.312 3.676 ( -1.849 -2.321 3.910) 4.909 3.760 ( -4.409 -6.599 -1.966) 8.176 3.918 ( 1.264 -0.206 -7.191) 7.304 4.122 ( 0.196 -5.376 -2.213) 5.817 4.269 ( -1.919 1.224 1.221) 2.583 4.376 ( -0.567 1.785 1.416) 2.348 4.496 ( -1.335 1.074 -8.010) 8.192 4.671 ( 1.680 -0.360 0.073) 1.720 4.687 ( 1.017 -0.813 3.902) 4.113 4.748 ( 1.490 0.953 -3.791) 4.184 5.018 ( -1.398 -0.068 -2.403) 2.781 5.038 ( 4.467 -1.538 -5.353) 7.140 5.330 ( 2.189 -0.137 -9.958) 10.196 5.591 ( -3.462 2.153 6.632) 7.785 5.828 ( -3.412 -5.807 3.801) 7.734 6.402 ( -4.729 -1.777 5.531) 7.491 6.420 ( -2.688 -2.483 3.788) 5.267 6.494 ( 0.233 3.336 2.129) 3.965 6.632 ( 2.170 0.369 -0.823) 2.350 6.858 ( -5.840 0.631 -7.454) 9.491 6.912 ( 4.180 -2.362 -4.006) 6.253 7.168 ( -0.550 -3.423 2.285) 4.152 7.219 ( 1.764 -2.418 0.673) 3.068 7.541 ( -9.057 -0.229 11.763) 14.847 7.914 ( 2.052 1.537 6.921) 7.380 8.054 ( -1.906 -2.252 0.701) 3.033 8.245 ( 1.411 1.219 -0.721) 1.999 8.430 ( -3.013 1.957 0.069) 3.594 8.935 ( 2.045 -0.098 -2.142) 2.963 9.204 ( -3.352 -0.083 5.451) 6.400 9.942 ( 4.823 1.158 -9.037) 10.309 10.271 ( 0.645 1.382 1.380) 2.057 10.384 ( -0.863 -0.188 -2.075) 2.255 10.486 ( 3.330 -2.876 3.832) 5.835 10.668 ( -8.403 -2.915 -0.782) 8.928 11.181 ( 7.258 0.685 6.008) 9.447 11.450 ( -18.670 1.958 2.856) 18.989 11.829 ( 7.317 11.968 -2.166) 14.194 12.271 ( 12.876 -7.171 -12.390) 19.254 14.339 ( -0.107 0.956 2.513) 2.691 14.481 ( -0.142 0.849 -1.015) 1.331 ======================= Grid point 167 (82/129) ======================= q-point: (-0.25 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 2.411 8.964 11.005) 14.397 1.466 ( 3.344 12.421 10.063) 16.332 1.761 ( -2.768 0.887 3.981) 4.929 1.864 ( 6.215 0.010 -3.110) 6.950 2.420 ( -7.050 2.314 8.515) 11.295 2.561 ( -0.689 7.806 1.938) 8.072 2.742 ( -1.144 -6.112 4.861) 7.893 2.905 ( -0.587 -10.120 0.003) 10.137 3.035 ( 1.970 1.411 0.476) 2.469 3.148 ( 3.632 -5.329 -5.576) 8.525 3.360 ( -0.405 4.298 -3.688) 5.677 3.417 ( -3.159 3.924 -4.828) 6.977 3.638 ( 8.523 0.119 2.111) 8.781 3.690 ( -2.599 -2.065 1.096) 3.496 3.770 ( -1.541 -6.877 -0.623) 7.075 3.963 ( 4.938 -4.535 -5.971) 8.978 4.174 ( -1.731 -0.067 3.917) 4.283 4.197 ( -1.328 -0.882 -5.986) 6.195 4.353 ( 1.160 3.823 -0.545) 4.032 4.415 ( -1.965 -0.597 -6.493) 6.810 4.682 ( -0.322 -0.998 1.950) 2.214 4.727 ( -0.623 1.394 -0.443) 1.590 4.763 ( 2.742 0.761 3.016) 4.146 4.971 ( -1.936 -0.427 -4.040) 4.501 5.078 ( 2.511 -0.535 -8.386) 8.770 5.347 ( 6.135 0.312 -8.410) 10.415 5.576 ( -2.767 -1.238 9.754) 10.214 5.837 ( -4.888 -5.531 3.543) 8.188 6.303 ( -11.092 2.274 6.697) 13.155 6.407 ( -3.644 -2.459 1.746) 4.730 6.431 ( -6.219 -1.844 3.599) 7.418 6.705 ( 4.302 0.644 -0.430) 4.371 6.752 ( 3.037 1.876 -4.241) 5.543 6.992 ( 3.068 -1.859 -3.609) 5.089 7.230 ( 1.099 -4.451 1.374) 4.786 7.284 ( 1.176 -3.701 1.321) 4.102 7.482 ( -5.496 -3.126 10.651) 12.387 7.949 ( -0.456 1.562 4.897) 5.161 8.037 ( -2.271 0.806 3.234) 4.033 8.254 ( 2.801 1.773 -4.053) 5.237 8.350 ( -4.615 1.515 3.101) 5.763 8.963 ( 1.652 -0.314 -0.991) 1.952 9.154 ( -4.202 1.195 3.681) 5.712 9.967 ( 5.022 1.607 -6.914) 8.695 10.291 ( 1.555 0.307 1.907) 2.480 10.364 ( -0.332 -0.127 -1.474) 1.517 10.492 ( -5.875 -1.365 2.555) 6.551 10.685 ( 2.294 -5.314 1.295) 5.931 11.116 ( -17.717 0.948 -1.556) 17.810 11.295 ( 2.864 -1.380 9.776) 10.280 11.774 ( 2.472 13.940 -3.390) 14.558 12.565 ( 20.877 -5.250 -14.309) 25.848 14.333 ( -0.498 1.816 2.515) 3.142 14.462 ( 0.065 1.410 -1.234) 1.875 ======================= Grid point 168 (83/129) ======================= q-point: (-0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 4.068 5.981 11.184) 13.319 1.491 ( 7.117 9.951 9.487) 15.482 1.737 ( -1.718 -0.473 2.931) 3.430 1.968 ( 8.402 0.166 -5.604) 10.101 2.306 ( -6.396 1.805 3.645) 7.580 2.503 ( -0.822 4.529 2.015) 5.025 2.723 ( -4.840 -0.281 -1.921) 5.215 2.997 ( 2.154 -4.793 1.071) 5.363 3.094 ( -0.059 -1.537 -6.035) 6.228 3.248 ( 5.299 -3.941 0.345) 6.613 3.268 ( -2.346 2.891 -2.368) 4.412 3.331 ( -2.539 -3.363 1.135) 4.364 3.645 ( -4.815 -4.117 -1.890) 6.611 3.773 ( 5.264 1.349 4.114) 6.816 3.807 ( -0.726 -3.711 -1.184) 3.963 4.006 ( -3.075 -1.655 -4.701) 5.856 4.083 ( -1.063 -1.979 -5.563) 6.000 4.262 ( 5.136 -0.300 -4.785) 7.026 4.340 ( 2.295 6.326 0.916) 6.792 4.374 ( -0.252 -2.316 -3.102) 3.880 4.669 ( -0.325 3.177 -2.364) 3.973 4.715 ( 0.102 0.848 2.589) 2.726 4.802 ( 0.476 0.247 4.043) 4.078 4.921 ( -3.033 -1.635 -2.538) 4.279 5.058 ( 0.575 -0.545 -8.671) 8.707 5.418 ( 7.582 1.129 -8.185) 11.215 5.635 ( 0.259 -3.613 10.490) 11.097 5.789 ( -9.356 -5.495 1.954) 11.024 6.128 ( -6.023 4.511 6.520) 9.957 6.376 ( -5.975 -5.918 3.165) 8.986 6.401 ( -2.083 -1.238 3.989) 4.667 6.710 ( 3.071 3.783 -2.223) 5.356 6.844 ( 3.336 0.872 3.433) 4.866 7.001 ( -1.340 0.592 -1.053) 1.804 7.297 ( 1.305 -5.412 3.598) 6.629 7.352 ( 0.839 -5.176 0.021) 5.244 7.543 ( 0.739 -6.661 5.802) 8.864 7.885 ( -6.219 2.339 -0.997) 6.719 8.015 ( 0.138 4.109 6.026) 7.295 8.260 ( 3.213 2.404 -5.263) 6.618 8.298 ( -4.102 0.344 8.333) 9.294 8.973 ( -1.439 0.284 3.126) 3.453 9.103 ( -0.748 1.010 -1.030) 1.625 10.008 ( 4.603 0.462 -4.884) 6.727 10.318 ( -0.363 -0.973 0.553) 1.176 10.367 ( 0.896 0.178 1.040) 1.384 10.443 ( -2.410 -0.946 3.330) 4.218 10.707 ( -5.026 -3.727 -0.508) 6.277 10.850 ( -9.743 3.590 0.123) 10.384 11.434 ( -0.012 -0.544 7.806) 7.825 11.655 ( 4.417 6.358 -2.504) 8.137 12.858 ( 17.506 -2.363 -17.042) 24.545 14.317 ( -0.533 2.215 2.381) 3.295 14.444 ( 0.524 1.666 -1.212) 2.126 ======================= Grid point 173 (84/129) ======================= q-point: ( 0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -1.622 0.000 9.284) 9.425 1.645 ( 2.887 0.000 11.851) 12.198 1.717 ( 0.154 -0.000 1.392) 1.401 1.803 ( -1.393 0.000 -1.358) 1.946 2.451 ( -1.507 0.000 8.267) 8.404 2.633 ( -4.491 -0.000 6.909) 8.240 2.718 ( -2.543 0.000 11.016) 11.306 2.815 ( -3.732 -0.000 -0.497) 3.765 2.993 ( 6.255 0.000 -6.197) 8.805 3.020 ( 5.235 0.000 -9.611) 10.944 3.430 ( 7.945 0.000 -4.827) 9.297 3.445 ( 1.504 0.000 -1.573) 2.176 3.612 ( 2.919 -0.000 4.493) 5.357 3.673 ( -3.505 0.000 3.366) 4.859 3.727 ( -7.392 0.000 0.330) 7.399 3.885 ( 2.131 0.000 -4.479) 4.960 4.042 ( 0.224 0.000 -5.370) 5.375 4.284 ( -1.815 0.000 2.650) 3.212 4.403 ( 0.658 0.000 -1.185) 1.355 4.504 ( -2.048 0.000 -4.882) 5.294 4.661 ( 3.888 0.000 1.219) 4.075 4.687 ( -0.872 -0.000 0.129) 0.882 4.759 ( 1.940 0.000 -4.386) 4.796 5.016 ( 4.108 0.000 -4.659) 6.211 5.018 ( -1.697 0.000 -1.134) 2.041 5.328 ( 2.659 0.000 -10.190) 10.531 5.638 ( -4.000 0.000 4.288) 5.864 5.743 ( -3.576 0.000 4.892) 6.059 6.371 ( -0.808 0.000 2.676) 2.796 6.401 ( -5.589 0.000 6.039) 8.228 6.548 ( 0.608 0.000 -0.401) 0.729 6.632 ( 2.582 0.000 -1.005) 2.771 6.862 ( -6.428 -0.000 -5.824) 8.674 6.880 ( 4.652 0.000 -2.402) 5.236 7.143 ( -1.860 0.000 0.949) 2.088 7.190 ( 2.521 -0.000 0.091) 2.523 7.539 ( -9.884 0.000 12.390) 15.849 7.933 ( 2.686 0.000 7.868) 8.314 8.027 ( -1.812 0.000 0.809) 1.984 8.257 ( 0.674 0.000 0.915) 1.136 8.451 ( -2.545 0.000 -1.374) 2.892 8.936 ( 2.015 0.000 -1.771) 2.683 9.202 ( -2.419 0.000 4.462) 5.076 9.951 ( 4.803 0.000 -9.492) 10.637 10.293 ( 0.461 0.000 0.693) 0.833 10.383 ( 0.729 -0.000 -2.242) 2.358 10.452 ( 2.555 0.000 3.781) 4.563 10.639 ( -9.490 -0.000 -0.733) 9.519 11.188 ( 7.521 0.000 6.212) 9.754 11.469 ( -20.630 0.000 3.027) 20.851 12.014 ( 8.363 0.000 -7.772) 11.417 12.133 ( 13.134 0.000 -6.319) 14.575 14.348 ( 0.146 0.000 2.549) 2.553 14.489 ( -0.168 0.000 -0.816) 0.833 ======================= Grid point 175 (85/129) ======================= q-point: (-0.38 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 1.426 5.828 8.638) 10.517 1.668 ( 0.100 6.636 5.323) 8.508 1.765 ( -0.394 0.095 6.778) 6.790 1.822 ( 3.583 -3.178 -0.892) 4.872 2.458 ( -3.172 0.829 5.929) 6.775 2.599 ( -3.640 -4.623 4.549) 7.437 2.692 ( -3.274 4.092 2.323) 5.732 2.766 ( -4.195 -4.259 4.828) 7.684 3.050 ( 3.191 -0.977 -4.707) 5.770 3.056 ( 3.601 -1.892 -3.312) 5.246 3.433 ( -2.502 2.775 -3.190) 4.913 3.466 ( -2.400 0.469 -12.307) 12.547 3.623 ( 0.541 -2.555 0.749) 2.717 3.669 ( 4.175 -0.806 2.810) 5.097 3.765 ( 9.030 6.494 6.770) 13.021 3.916 ( 3.620 -0.742 -7.176) 8.072 4.073 ( 0.715 -6.614 2.754) 7.200 4.223 ( -6.712 0.965 1.692) 6.989 4.397 ( -3.768 0.393 -5.049) 6.313 4.426 ( 3.386 1.483 -4.621) 5.918 4.664 ( -1.268 -0.465 1.434) 1.970 4.744 ( 3.054 0.270 0.562) 3.117 4.769 ( 1.708 0.129 -1.534) 2.299 4.971 ( -2.383 0.190 -3.130) 3.939 5.059 ( 2.975 -1.019 -6.391) 7.122 5.349 ( 6.298 0.025 -8.083) 10.247 5.584 ( -4.035 1.623 6.987) 8.230 5.726 ( -5.005 -4.476 4.771) 8.237 6.327 ( -6.591 0.503 5.225) 8.426 6.350 ( -5.111 -2.073 1.938) 5.846 6.449 ( -7.932 1.489 0.709) 8.102 6.704 ( 5.840 -0.281 0.622) 5.880 6.802 ( 3.540 2.088 -7.692) 8.721 6.952 ( 2.875 -1.639 -1.035) 3.467 7.164 ( 3.113 -1.776 0.708) 3.653 7.236 ( 1.571 -1.318 0.486) 2.108 7.441 ( -9.545 -1.025 13.016) 16.173 7.983 ( -1.924 1.610 3.488) 4.297 8.029 ( 0.828 -1.080 7.064) 7.194 8.273 ( 1.116 0.352 0.390) 1.233 8.380 ( -3.810 1.001 -1.970) 4.404 8.965 ( 2.002 0.191 -0.722) 2.137 9.170 ( -3.370 0.406 3.036) 4.554 9.973 ( 3.400 -0.261 -9.074) 9.694 10.306 ( 1.273 0.611 1.044) 1.756 10.369 ( -1.021 0.254 -2.159) 2.401 10.499 ( -2.332 2.250 1.673) 3.647 10.583 ( 3.321 -4.714 3.518) 6.754 11.127 ( -17.374 0.198 -2.373) 17.536 11.279 ( -1.282 -0.344 9.306) 9.400 12.018 ( 2.765 9.072 -6.060) 11.255 12.439 ( 20.708 -5.975 -9.078) 23.386 14.358 ( -0.252 0.668 2.682) 2.776 14.480 ( -0.058 0.413 -1.082) 1.160 ======================= Grid point 176 (86/129) ======================= q-point: (-0.25 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 1.534 6.300 8.097) 10.373 1.634 ( -0.447 1.449 2.070) 2.566 1.773 ( 0.221 6.090 9.194) 11.030 1.935 ( 6.616 -2.983 -2.582) 7.703 2.368 ( -5.668 4.604 3.964) 8.309 2.567 ( -3.518 1.017 -1.472) 3.947 2.699 ( -0.899 -2.410 1.855) 3.172 2.793 ( 0.737 -10.857 -0.461) 10.891 3.083 ( 1.316 -1.536 -4.367) 4.813 3.157 ( 5.049 -2.746 4.897) 7.551 3.286 ( -7.851 -0.416 -5.444) 9.563 3.346 ( -3.484 0.705 -6.848) 7.715 3.639 ( -0.947 3.074 -0.869) 3.332 3.773 ( 5.658 0.231 -3.057) 6.435 3.844 ( 4.967 5.629 5.569) 9.348 3.976 ( 2.255 -0.906 -2.881) 3.769 4.078 ( -5.864 0.945 -2.879) 6.600 4.205 ( 5.050 -6.148 1.646) 8.125 4.320 ( -2.466 -2.156 -3.839) 5.047 4.455 ( 4.638 4.875 -1.285) 6.850 4.682 ( 0.389 -1.642 2.367) 2.907 4.744 ( 0.511 2.240 -0.638) 2.385 4.799 ( 0.554 -0.558 -0.065) 0.789 4.901 ( -3.538 -0.269 -3.666) 5.102 5.058 ( 1.344 0.284 -8.307) 8.420 5.442 ( 8.303 1.024 -6.595) 10.653 5.573 ( -1.587 -1.997 9.302) 9.646 5.686 ( -7.584 -4.643 2.419) 9.215 6.205 ( -7.206 2.806 6.111) 9.856 6.284 ( -5.232 -3.011 1.816) 6.304 6.374 ( -2.645 -1.292 2.157) 3.649 6.794 ( 4.367 3.991 -3.577) 6.913 6.847 ( 6.538 -0.464 1.334) 6.689 6.987 ( 0.115 -1.575 -0.853) 1.795 7.237 ( 0.341 -0.566 3.790) 3.847 7.271 ( 0.899 -2.810 0.567) 3.005 7.420 ( -2.700 -5.574 8.905) 10.847 7.917 ( -5.428 1.191 0.389) 5.571 8.081 ( 0.339 2.216 8.093) 8.398 8.291 ( 0.734 0.615 1.632) 1.892 8.307 ( -1.906 0.738 -0.552) 2.117 8.984 ( 0.132 0.598 1.731) 1.836 9.124 ( -1.946 0.960 0.440) 2.214 9.974 ( 0.707 -2.592 -8.683) 9.089 10.316 ( -1.227 0.162 -0.263) 1.266 10.357 ( 1.377 -1.178 0.946) 2.045 10.472 ( 0.099 3.485 2.810) 4.478 10.638 ( -4.938 -3.353 1.046) 6.060 10.922 ( -3.913 3.584 0.522) 5.332 11.322 ( -0.759 -6.563 8.705) 10.928 11.876 ( -3.012 11.156 -6.725) 13.370 12.789 ( 19.837 -4.123 -12.100) 23.599 14.355 ( -0.539 1.499 2.749) 3.177 14.467 ( 0.041 0.677 -1.325) 1.489 ======================= Grid point 177 (87/129) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -4.073 1.708 7.810) 8.972 1.641 ( -3.555 -4.198 -0.765) 5.554 1.769 ( 3.067 9.054 10.020) 13.848 2.060 ( 7.403 -0.838 -4.860) 8.895 2.271 ( -1.644 3.618 0.968) 4.090 2.499 ( -2.417 0.886 0.250) 2.586 2.682 ( 0.921 1.505 -4.316) 4.663 2.925 ( -0.383 -9.282 -3.727) 10.010 3.034 ( -2.922 0.871 -6.301) 7.000 3.193 ( -5.658 -5.841 4.441) 9.266 3.261 ( -0.371 0.661 -4.149) 4.218 3.340 ( 6.518 -4.922 3.280) 8.802 3.548 ( -3.036 3.317 -2.120) 4.971 3.811 ( 0.028 3.322 -0.321) 3.337 3.827 ( -4.421 0.022 1.009) 4.535 3.954 ( 2.366 0.511 -3.071) 3.910 4.044 ( -0.202 -0.411 -2.276) 2.321 4.315 ( 3.375 -0.085 -4.017) 5.248 4.362 ( 5.981 -2.390 -0.588) 6.467 4.471 ( 3.873 5.230 0.663) 6.541 4.682 ( -0.604 2.179 -4.534) 5.067 4.736 ( -0.343 1.223 -0.605) 1.407 4.808 ( -0.129 -0.869 4.919) 4.997 4.842 ( -2.315 -1.942 -1.484) 3.366 5.017 ( 0.045 0.528 -8.060) 8.077 5.500 ( 4.513 1.085 -7.546) 8.860 5.600 ( -6.148 -2.602 2.879) 7.270 5.686 ( 3.054 -4.326 8.750) 10.228 6.139 ( -1.597 1.961 5.173) 5.758 6.263 ( -3.494 -3.568 4.612) 6.798 6.385 ( 0.244 -2.674 3.594) 4.486 6.796 ( 3.300 4.407 -2.362) 5.991 6.923 ( -0.401 3.277 5.901) 6.762 6.973 ( -1.420 0.666 0.349) 1.606 7.293 ( 0.861 -2.852 1.932) 3.551 7.327 ( 2.132 -5.808 1.471) 6.359 7.513 ( 0.701 -7.199 4.176) 8.352 7.781 ( -7.504 1.892 -1.416) 7.868 8.088 ( 0.036 3.797 6.002) 7.102 8.291 ( -2.559 1.039 8.581) 9.014 8.306 ( 2.270 0.829 -2.846) 3.734 8.976 ( -1.699 1.223 4.516) 4.977 9.099 ( 0.407 0.462 -2.128) 2.215 9.954 ( -2.537 -5.878 -8.429) 10.585 10.295 ( -1.039 -0.535 0.321) 1.212 10.399 ( -1.933 2.132 1.594) 3.289 10.435 ( 0.597 -1.842 2.501) 3.163 10.626 ( 0.980 -2.959 -1.798) 3.599 10.824 ( -1.930 8.579 4.043) 9.678 11.439 ( -2.574 -0.947 7.343) 7.839 11.700 ( -0.823 0.200 -5.382) 5.448 13.027 ( 13.757 0.764 -14.319) 19.871 14.341 ( -0.756 2.026 2.574) 3.362 14.456 ( 0.319 0.495 -1.379) 1.500 ======================= Grid point 183 (88/129) ======================= q-point: ( 0.62 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 1.511 0.000 5.602) 5.802 1.618 ( -7.781 -0.000 3.234) 8.426 1.867 ( 1.689 0.000 9.452) 9.601 1.892 ( 8.331 0.000 -1.553) 8.475 2.473 ( -0.008 -0.000 3.025) 3.025 2.502 ( -5.241 -0.000 1.000) 5.336 2.649 ( -2.143 -0.000 -0.032) 2.143 2.710 ( -2.425 -0.000 1.389) 2.794 3.047 ( 1.143 0.000 -4.452) 4.596 3.142 ( 5.615 0.000 4.835) 7.410 3.287 ( -7.286 -0.000 -12.486) 14.456 3.341 ( -6.240 -0.000 -3.115) 6.975 3.679 ( 4.226 0.000 -0.961) 4.334 3.787 ( 6.953 0.000 -3.817) 7.932 3.919 ( 1.325 0.000 -2.209) 2.577 4.043 ( -1.778 -0.000 4.694) 5.020 4.047 ( 11.952 0.000 6.033) 13.389 4.092 ( -7.682 -0.000 -3.016) 8.253 4.299 ( -2.509 -0.000 -2.917) 3.848 4.508 ( 5.461 0.000 -2.627) 6.060 4.659 ( -0.310 -0.000 3.336) 3.351 4.777 ( 0.640 0.000 -1.050) 1.230 4.784 ( 1.280 0.000 -2.619) 2.915 4.901 ( -3.880 -0.000 -3.364) 5.135 5.061 ( 2.268 0.000 -7.312) 7.656 5.452 ( 9.234 0.000 -5.450) 10.722 5.563 ( -3.616 -0.000 7.364) 8.204 5.628 ( -5.931 -0.000 2.560) 6.460 6.231 ( -7.370 -0.000 6.268) 9.675 6.256 ( -4.895 -0.000 0.969) 4.990 6.361 ( -3.507 -0.000 1.636) 3.869 6.824 ( 7.895 0.000 0.840) 7.939 6.853 ( 4.576 0.000 -7.401) 8.702 6.967 ( 0.106 0.000 1.673) 1.676 7.241 ( -1.718 -0.000 2.666) 3.171 7.248 ( 6.275 0.000 0.621) 6.306 7.352 ( -7.335 -0.000 11.981) 14.048 7.931 ( -5.480 -0.000 0.816) 5.541 8.102 ( 1.245 0.000 9.431) 9.512 8.295 ( -1.144 -0.000 5.913) 6.023 8.317 ( -0.543 -0.000 -6.010) 6.034 8.990 ( 0.513 0.000 1.343) 1.437 9.134 ( -2.198 -0.000 1.026) 2.425 9.944 ( -0.512 -0.000 -9.890) 9.904 10.318 ( -2.722 -0.000 -0.745) 2.822 10.342 ( 2.050 0.000 1.089) 2.321 10.528 ( 2.980 0.000 -1.482) 3.328 10.589 ( -7.020 -0.000 5.319) 8.807 10.968 ( 2.431 0.000 0.891) 2.589 11.245 ( -6.855 -0.000 7.904) 10.462 12.001 ( -4.765 -0.000 -7.872) 9.202 12.737 ( 21.961 0.000 -9.669) 23.995 14.371 ( -0.505 -0.000 2.905) 2.949 14.473 ( -0.142 -0.000 -1.390) 1.397 ======================= Grid point 185 (89/129) ======================= q-point: (-0.25 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -9.239 1.668 5.342) 10.802 1.559 ( -5.965 -3.339 1.421) 6.982 1.919 ( 1.895 4.745 9.779) 11.033 2.048 ( 9.782 -0.348 -3.473) 10.386 2.378 ( -1.646 6.660 -0.265) 6.866 2.497 ( -2.479 -1.437 -0.195) 2.872 2.676 ( 0.875 -2.246 -1.720) 2.961 2.719 ( 2.525 -7.429 -1.950) 8.086 3.031 ( -2.187 -1.284 -3.885) 4.640 3.119 ( -5.450 -1.167 -7.581) 9.409 3.241 ( -3.531 -0.899 -1.177) 3.829 3.292 ( 7.123 -0.858 5.987) 9.344 3.670 ( -2.067 5.318 -2.442) 6.206 3.809 ( 0.714 -1.108 -7.966) 8.074 3.915 ( -3.652 5.654 1.230) 6.842 3.970 ( 1.349 0.932 -0.542) 1.727 4.027 ( -1.577 -2.171 -1.489) 3.069 4.280 ( 8.427 -3.461 3.340) 9.703 4.310 ( 3.350 -0.323 1.304) 3.609 4.561 ( 3.748 2.600 -2.264) 5.092 4.684 ( -0.121 -0.933 1.449) 1.728 4.756 ( -2.013 1.163 -1.237) 2.633 4.787 ( -0.058 -1.505 -3.037) 3.390 4.829 ( -0.492 0.428 -1.136) 1.310 5.041 ( 0.714 1.167 -8.637) 8.744 5.512 ( 0.454 -0.023 -7.289) 7.303 5.560 ( -2.871 -1.422 6.274) 7.045 5.629 ( 5.451 -0.954 5.349) 7.696 6.172 ( -3.173 1.193 6.133) 7.008 6.209 ( -2.368 -1.820 3.241) 4.408 6.344 ( -0.732 -1.166 3.505) 3.766 6.867 ( 2.955 2.245 -5.166) 6.361 6.947 ( 2.077 -0.619 -0.689) 2.274 6.994 ( 3.738 1.363 4.100) 5.713 7.218 ( -3.525 -3.160 7.139) 8.566 7.296 ( -0.345 2.236 3.359) 4.050 7.390 ( 2.103 -5.342 3.482) 6.714 7.806 ( -8.018 0.656 -1.360) 8.159 8.152 ( -0.056 2.157 8.385) 8.658 8.291 ( -1.504 -0.424 6.679) 6.860 8.320 ( 1.940 0.386 -3.225) 3.783 8.995 ( -1.087 0.550 3.404) 3.615 9.110 ( -0.660 0.430 -0.144) 0.801 9.862 ( -3.875 -2.700 -9.742) 10.827 10.284 ( -1.439 -0.420 0.521) 1.586 10.393 ( 2.841 -0.855 1.065) 3.152 10.450 ( -6.736 1.300 0.890) 6.918 10.577 ( 1.452 -1.606 -1.105) 2.431 11.024 ( 1.290 11.303 5.776) 12.759 11.261 ( 1.213 -12.005 7.010) 13.955 11.811 ( -8.619 4.877 -8.032) 12.750 13.028 ( 17.701 -0.303 -12.009) 21.393 14.371 ( -0.929 0.820 2.937) 3.188 14.460 ( -0.311 0.042 -1.683) 1.712 ======================= Grid point 186 (90/129) ======================= q-point: (-0.12 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -10.951 -2.539 7.323) 13.416 1.446 ( -12.244 -5.237 1.987) 13.465 1.931 ( -0.251 5.937 6.178) 8.572 2.131 ( 2.709 0.945 -8.609) 9.074 2.321 ( 1.093 4.822 2.094) 5.369 2.488 ( 0.593 -0.700 2.457) 2.623 2.704 ( 3.915 -0.059 -6.254) 7.378 2.839 ( 2.595 -5.795 -2.766) 6.926 2.948 ( -3.055 -0.763 -4.248) 5.288 3.048 ( -5.427 -5.002 -0.523) 7.399 3.233 ( 0.592 -2.831 0.452) 2.927 3.448 ( 5.693 2.191 2.064) 6.440 3.546 ( -1.575 3.795 -1.101) 4.254 3.760 ( -1.563 1.701 -2.525) 3.422 3.846 ( 0.900 1.884 -1.885) 2.813 3.975 ( 0.140 1.148 -0.009) 1.157 4.023 ( 0.069 -0.837 -2.128) 2.287 4.377 ( 3.720 0.720 1.407) 4.042 4.448 ( 5.225 -3.612 -0.310) 6.359 4.553 ( -1.326 3.714 -2.458) 4.647 4.616 ( -2.206 1.321 -4.450) 5.140 4.750 ( 1.309 0.369 0.589) 1.482 4.784 ( -0.147 -1.513 -3.864) 4.153 4.868 ( 3.498 -0.023 3.010) 4.615 4.980 ( -0.105 1.155 -8.821) 8.896 5.474 ( -0.380 -0.563 -6.327) 6.363 5.572 ( -1.020 -0.564 5.239) 5.367 5.771 ( 5.232 -1.522 5.505) 7.746 6.164 ( 0.046 0.721 4.248) 4.309 6.238 ( 0.977 -1.336 4.010) 4.338 6.409 ( 2.593 -3.318 6.945) 8.122 6.867 ( 2.532 2.001 -3.772) 4.964 6.912 ( -4.393 2.654 3.929) 6.464 7.025 ( 0.180 4.836 4.723) 6.762 7.274 ( -1.667 -0.633 0.388) 1.825 7.333 ( 4.253 -7.101 3.933) 9.165 7.464 ( -1.483 -5.250 0.625) 5.491 7.681 ( -3.919 0.430 0.805) 4.024 8.156 ( -0.142 3.511 5.910) 6.876 8.311 ( -1.638 2.070 4.655) 5.351 8.326 ( 0.867 -0.929 1.515) 1.978 8.985 ( -0.782 1.085 1.911) 2.333 9.107 ( 0.269 0.380 2.836) 2.874 9.782 ( -3.919 -5.750 -8.580) 11.047 10.278 ( -0.892 -0.809 1.231) 1.723 10.363 ( -2.656 0.736 0.586) 2.818 10.472 ( 3.971 -2.195 0.896) 4.625 10.571 ( -4.662 -1.660 0.143) 4.951 10.967 ( 4.509 8.005 1.063) 9.249 11.435 ( -2.171 -0.673 11.279) 11.506 11.588 ( -5.399 -3.174 -8.075) 10.218 13.180 ( 10.020 3.973 -15.128) 18.575 14.354 ( -1.437 1.369 2.632) 3.297 14.449 ( -0.110 -0.569 -1.704) 1.800 ======================= Grid point 193 (91/129) ======================= q-point: (-0.25 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -13.031 -0.000 7.268) 14.920 1.386 ( -12.862 -0.000 2.100) 13.033 1.992 ( -3.017 -0.000 8.377) 8.904 2.142 ( 3.066 0.000 -8.536) 9.070 2.391 ( -0.103 -0.000 -2.878) 2.880 2.483 ( 0.378 0.000 4.874) 4.888 2.696 ( 4.069 0.000 -2.053) 4.557 2.742 ( 7.265 0.000 -4.704) 8.655 2.950 ( -4.324 -0.000 -1.615) 4.616 2.998 ( -3.613 -0.000 -7.449) 8.278 3.206 ( -0.093 -0.000 2.617) 2.619 3.455 ( 7.633 0.000 6.906) 10.293 3.626 ( -2.715 -0.000 -1.785) 3.249 3.741 ( -0.867 -0.000 -11.381) 11.414 3.920 ( -2.063 -0.000 2.862) 3.528 3.962 ( 2.236 0.000 -5.362) 5.810 4.023 ( 0.705 0.000 1.063) 1.276 4.386 ( 3.159 0.000 2.249) 3.878 4.391 ( 3.319 0.000 4.135) 5.302 4.594 ( -2.172 -0.000 -3.348) 3.991 4.626 ( -1.584 -0.000 -4.582) 4.848 4.747 ( 1.043 0.000 3.680) 3.825 4.767 ( 1.900 0.000 -6.584) 6.853 4.871 ( 3.308 0.000 0.519) 3.348 5.000 ( -0.114 -0.000 -10.316) 10.316 5.469 ( -0.031 -0.000 -5.421) 5.421 5.559 ( -1.525 -0.000 6.982) 7.146 5.764 ( 6.511 0.000 3.404) 7.347 6.179 ( -1.193 -0.000 7.540) 7.634 6.211 ( 2.553 0.000 2.226) 3.387 6.377 ( 1.876 0.000 6.823) 7.076 6.883 ( 0.870 0.000 -3.217) 3.333 6.940 ( -1.016 -0.000 -1.119) 1.512 7.136 ( 6.686 0.000 2.105) 7.009 7.162 ( -3.918 -0.000 8.028) 8.933 7.304 ( -2.482 -0.000 6.914) 7.346 7.408 ( 0.469 0.000 -2.077) 2.129 7.685 ( -3.989 -0.000 -0.099) 3.991 8.200 ( -1.137 -0.000 8.145) 8.224 8.309 ( 1.114 0.000 0.726) 1.330 8.333 ( -0.623 -0.000 3.323) 3.381 8.996 ( -0.379 -0.000 0.581) 0.694 9.113 ( -0.393 -0.000 5.326) 5.341 9.721 ( -4.364 -0.000 -8.904) 9.916 10.268 ( -0.991 -0.000 1.576) 1.862 10.371 ( -3.158 -0.000 0.011) 3.158 10.448 ( 3.782 0.000 0.494) 3.814 10.551 ( -3.910 -0.000 0.153) 3.913 11.089 ( -1.024 -0.000 -1.466) 1.788 11.326 ( 6.583 0.000 11.369) 13.137 11.623 ( -10.804 -0.000 -5.941) 12.330 13.220 ( 12.453 0.000 -15.122) 19.590 14.368 ( -1.686 -0.000 2.804) 3.272 14.442 ( -0.580 -0.000 -1.935) 2.020 ======================= Grid point 194 (92/129) ======================= q-point: (-0.12 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -13.767 -2.508 10.188) 17.309 1.184 ( -14.776 -4.274 6.944) 16.876 1.907 ( -10.800 0.756 8.557) 13.799 2.064 ( -4.750 0.302 -8.835) 10.036 2.348 ( -3.661 0.460 -0.360) 3.707 2.525 ( 0.528 1.002 3.885) 4.047 2.758 ( 5.858 0.748 -6.367) 8.684 2.866 ( 3.401 2.490 -1.387) 4.437 2.899 ( 1.823 -2.390 -7.280) 7.877 2.952 ( 2.755 -4.837 0.886) 5.637 3.247 ( 1.747 -0.891 3.054) 3.629 3.568 ( 1.830 8.869 -4.836) 10.266 3.606 ( 5.483 0.762 5.823) 8.034 3.721 ( 2.010 -6.089 -4.525) 7.848 3.899 ( 1.379 4.589 0.140) 4.793 3.974 ( -0.189 -1.156 -1.761) 2.115 4.028 ( 1.326 1.407 -0.671) 2.046 4.392 ( -5.102 -2.074 0.641) 5.545 4.440 ( -0.119 0.196 1.934) 1.947 4.509 ( -1.038 -0.538 -2.648) 2.894 4.621 ( 1.547 0.468 -6.134) 6.343 4.769 ( 2.915 0.567 -8.438) 8.946 4.792 ( 2.402 0.092 0.867) 2.555 4.933 ( 3.242 -0.685 -0.196) 3.319 4.945 ( 0.200 0.475 -6.404) 6.424 5.440 ( -0.246 -0.080 -5.438) 5.444 5.576 ( -1.508 -0.259 7.060) 7.224 5.859 ( 2.716 -0.273 1.906) 3.329 6.222 ( 2.577 2.258 7.802) 8.522 6.319 ( 6.923 -1.259 3.026) 7.660 6.468 ( 2.392 -2.245 7.802) 8.464 6.866 ( -2.001 2.075 -0.836) 3.002 6.905 ( -0.195 -0.219 -2.788) 2.803 7.099 ( -1.520 7.481 5.791) 9.582 7.233 ( -2.341 -1.517 0.211) 2.797 7.365 ( 4.031 -7.590 6.195) 10.594 7.383 ( -0.919 -1.840 -0.533) 2.125 7.691 ( 2.332 1.115 2.592) 3.661 8.205 ( -1.346 1.662 5.865) 6.243 8.298 ( -0.829 0.605 -4.867) 4.974 8.355 ( -1.036 0.269 9.487) 9.547 8.984 ( 1.012 0.475 -5.900) 6.005 9.175 ( 2.125 1.323 15.427) 15.628 9.640 ( -1.766 -4.320 -7.124) 8.517 10.258 ( -2.014 -0.347 2.532) 3.254 10.340 ( -1.105 -0.242 1.249) 1.685 10.463 ( -5.624 -0.573 0.320) 5.662 10.534 ( 5.510 -1.586 -0.070) 5.734 11.085 ( 4.173 2.472 -4.344) 6.511 11.396 ( -8.724 -0.752 -7.327) 11.418 11.486 ( -0.768 -0.679 15.827) 15.861 13.241 ( 2.389 3.992 -20.896) 21.408 14.344 ( -2.427 0.418 2.351) 3.405 14.426 ( -0.418 -0.909 -1.907) 2.153 ======================= Grid point 202 (93/129) ======================= q-point: (-0.12 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -13.135 -0.000 14.813) 19.798 0.970 ( -13.417 -0.000 14.180) 19.521 1.725 ( -16.881 -0.000 17.000) 23.958 1.911 ( -7.388 -0.000 -7.462) 10.501 2.239 ( -6.239 -0.000 -2.495) 6.720 2.516 ( -3.782 -0.000 2.173) 4.362 2.854 ( 8.883 0.000 -6.730) 11.144 2.871 ( 2.072 0.000 -2.036) 2.905 2.990 ( 3.514 0.000 2.281) 4.189 3.036 ( 11.636 0.000 -5.943) 13.066 3.282 ( 0.309 0.000 2.486) 2.505 3.600 ( 0.073 0.000 -6.201) 6.202 3.699 ( 1.800 0.000 -0.549) 1.881 3.793 ( 9.048 0.000 6.397) 11.081 3.907 ( -2.715 -0.000 -3.263) 4.244 3.957 ( 0.013 0.000 2.562) 2.562 4.082 ( 4.852 0.000 -2.382) 5.406 4.320 ( -1.671 -0.000 2.049) 2.644 4.403 ( -4.698 -0.000 -0.342) 4.711 4.477 ( -0.745 -0.000 -2.830) 2.926 4.589 ( -0.550 -0.000 -9.153) 9.169 4.803 ( 6.467 0.000 -10.292) 12.155 4.822 ( 0.432 0.000 0.200) 0.476 4.923 ( -0.636 -0.000 -1.234) 1.388 4.974 ( 2.470 0.000 -0.989) 2.661 5.394 ( -1.324 -0.000 -5.711) 5.863 5.595 ( -1.396 -0.000 8.692) 8.803 5.874 ( -0.165 -0.000 -1.256) 1.267 6.354 ( 2.429 0.000 12.355) 12.591 6.468 ( 10.172 0.000 0.942) 10.216 6.521 ( 1.243 0.000 5.021) 5.172 6.815 ( -4.277 -0.000 -5.919) 7.302 6.872 ( -0.588 -0.000 -1.880) 1.970 7.134 ( -2.953 -0.000 -3.051) 4.246 7.213 ( 1.252 0.000 8.059) 8.156 7.413 ( 2.196 0.000 1.275) 2.539 7.440 ( 8.347 0.000 7.107) 10.963 7.767 ( 3.197 0.000 1.821) 3.679 8.199 ( -3.412 -0.000 4.364) 5.540 8.252 ( -1.276 -0.000 -6.507) 6.631 8.385 ( -1.801 -0.000 9.287) 9.460 8.973 ( 2.766 0.000 -9.699) 10.085 9.394 ( 9.017 0.000 21.221) 23.057 9.563 ( 0.152 0.000 -5.915) 5.917 10.240 ( -0.310 -0.000 5.137) 5.146 10.336 ( -0.318 -0.000 2.451) 2.472 10.422 ( 1.516 0.000 3.738) 4.033 10.635 ( 7.849 0.000 -0.586) 7.871 11.133 ( 3.602 0.000 -5.655) 6.705 11.210 ( -7.878 -0.000 -4.981) 9.321 11.529 ( -5.082 -0.000 15.791) 16.589 13.041 ( -14.565 -0.000 -29.191) 32.623 14.309 ( -2.972 -0.000 2.118) 3.650 14.402 ( -0.530 -0.000 -1.790) 1.867 ======================= Grid point 203 (94/129) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -1.086 -0.000 14.430) 14.471 1.261 ( -2.458 -0.000 18.251) 18.416 1.479 ( 1.487 0.000 -10.912) 11.013 1.602 ( 1.846 0.000 -13.193) 13.321 2.446 ( -4.986 -0.000 21.061) 21.643 2.605 ( 0.420 0.000 4.502) 4.521 2.910 ( 1.721 0.000 -4.333) 4.662 2.920 ( 4.572 0.000 -6.809) 8.202 3.048 ( -3.206 -0.000 2.315) 3.955 3.148 ( 4.120 0.000 -7.213) 8.307 3.296 ( -3.166 -0.000 8.195) 8.785 3.444 ( -0.978 -0.000 -4.437) 4.543 3.646 ( 4.411 0.000 2.592) 5.116 3.860 ( -0.049 -0.000 -18.415) 18.415 3.950 ( -0.567 -0.000 4.486) 4.522 4.034 ( -0.057 -0.000 -2.657) 2.658 4.186 ( 2.061 0.000 1.958) 2.843 4.261 ( -0.694 -0.000 -2.815) 2.900 4.333 ( -5.562 -0.000 1.974) 5.902 4.352 ( 3.149 0.000 1.719) 3.587 4.649 ( 5.753 0.000 7.677) 9.593 4.730 ( -5.503 -0.000 3.497) 6.520 4.779 ( -1.251 -0.000 -5.368) 5.512 4.841 ( 2.603 0.000 -4.941) 5.585 5.037 ( -0.532 -0.000 2.158) 2.223 5.138 ( 1.877 0.000 -8.125) 8.339 5.817 ( -0.944 -0.000 5.263) 5.347 5.851 ( 0.882 0.000 1.176) 1.470 6.511 ( 2.924 0.000 -3.481) 4.546 6.515 ( -5.583 -0.000 -2.662) 6.185 6.609 ( -7.332 -0.000 6.472) 9.779 6.745 ( 7.249 0.000 -5.327) 8.996 6.835 ( -0.556 -0.000 8.394) 8.412 6.968 ( -2.363 -0.000 -4.450) 5.039 7.507 ( 0.681 0.000 5.138) 5.183 7.546 ( 2.501 0.000 1.363) 2.849 7.753 ( 2.584 0.000 0.594) 2.651 7.781 ( -2.331 -0.000 -1.655) 2.858 7.970 ( -6.028 -0.000 0.644) 6.062 8.027 ( 2.421 0.000 -5.131) 5.673 8.575 ( -6.094 -0.000 10.910) 12.497 8.810 ( 6.522 0.000 -11.087) 12.863 9.458 ( -11.632 -0.000 4.483) 12.466 9.546 ( 8.410 0.000 -3.786) 9.223 10.380 ( 1.373 0.000 0.825) 1.602 10.390 ( -0.650 -0.000 0.097) 0.657 10.885 ( 2.663 0.000 -0.032) 2.663 10.891 ( -7.275 -0.000 -0.609) 7.300 11.240 ( 13.062 0.000 3.883) 13.627 11.292 ( -6.468 -0.000 -1.427) 6.624 11.530 ( -19.822 -0.000 12.416) 23.389 11.821 ( 19.707 0.000 -14.606) 24.530 14.307 ( -0.932 -0.000 1.862) 2.083 14.341 ( 0.372 0.000 -1.475) 1.521 ======================= Grid point 204 (95/129) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 4.840 -0.781 13.633) 14.488 1.376 ( 3.241 -4.304 15.673) 16.574 1.524 ( 8.860 -1.699 -11.970) 14.989 1.603 ( 5.219 -3.374 -13.639) 14.988 2.454 ( -6.668 -2.011 12.832) 14.600 2.595 ( -4.780 -0.394 4.787) 6.776 2.881 ( -5.236 1.544 -1.259) 5.602 2.923 ( 0.676 -3.045 -7.084) 7.740 3.008 ( -0.227 -0.241 -3.480) 3.495 3.111 ( -1.546 1.788 -3.198) 3.977 3.366 ( 4.356 -0.436 9.140) 10.134 3.451 ( 5.795 5.171 -3.671) 8.591 3.725 ( 3.468 2.355 0.049) 4.192 3.782 ( 1.849 -1.798 -14.684) 14.908 3.937 ( -3.808 0.678 5.898) 7.053 3.987 ( -2.004 1.957 -2.592) 3.816 4.148 ( -4.359 4.939 -2.209) 6.948 4.211 ( -1.741 -1.721 -0.351) 2.473 4.266 ( -4.923 -0.175 2.126) 5.365 4.394 ( 1.645 1.976 1.331) 2.895 4.639 ( -3.685 -1.647 2.120) 4.560 4.666 ( -5.031 -2.141 -5.008) 7.415 4.836 ( 5.450 -1.230 8.407) 10.094 4.934 ( 6.623 -0.076 -5.793) 8.799 5.015 ( -2.621 1.156 2.033) 3.513 5.130 ( 3.349 0.087 -8.301) 8.951 5.831 ( -0.060 0.358 4.312) 4.328 5.885 ( 1.372 -0.649 -1.228) 1.952 6.362 ( -11.108 -0.231 3.540) 11.661 6.530 ( -4.153 0.812 4.923) 6.492 6.555 ( 1.380 -0.697 0.472) 1.616 6.804 ( 1.068 4.421 -1.486) 4.785 6.825 ( -1.172 2.886 0.965) 3.261 6.914 ( -0.706 -2.723 0.840) 2.936 7.504 ( -0.612 3.801 0.629) 3.901 7.546 ( 1.606 7.403 -1.474) 7.717 7.719 ( -2.205 0.081 1.083) 2.458 7.795 ( -2.779 -6.902 -1.139) 7.527 7.950 ( 1.101 -0.282 2.408) 2.663 8.081 ( 4.701 -1.461 -0.310) 4.932 8.526 ( -5.977 -0.037 10.691) 12.249 8.843 ( 5.126 1.417 -11.262) 12.455 9.312 ( -9.440 -0.743 8.396) 12.656 9.707 ( 10.373 -2.815 -2.983) 11.154 10.372 ( -0.480 1.196 -1.087) 1.686 10.398 ( 0.912 0.919 0.593) 1.424 10.685 ( -11.658 3.867 2.797) 12.597 10.878 ( -2.579 0.269 2.508) 3.607 11.079 ( -16.876 4.421 -2.168) 17.580 11.234 ( -8.397 -10.082 -2.004) 13.273 11.651 ( 18.449 3.152 13.664) 23.173 12.174 ( 23.921 -2.914 -18.594) 30.438 14.309 ( -0.697 -1.022 2.129) 2.462 14.352 ( 1.026 -1.301 -1.156) 2.020 ======================= Grid point 205 (96/129) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 2.964 -2.453 12.260) 12.849 1.580 ( 7.813 -1.455 4.950) 9.363 1.622 ( 5.994 -3.676 -6.338) 9.466 1.709 ( 9.556 -4.380 -12.866) 16.615 2.388 ( -7.479 0.117 5.678) 9.391 2.536 ( -6.043 -3.046 4.784) 8.287 2.737 ( -7.942 2.768 3.155) 8.983 2.918 ( -0.372 -2.647 -8.779) 9.177 2.994 ( -0.298 -3.404 -5.587) 6.549 3.073 ( -1.918 -1.000 0.652) 2.259 3.453 ( 4.143 8.268 -5.577) 10.799 3.470 ( 5.161 5.668 2.273) 7.996 3.724 ( 1.164 0.554 -11.165) 11.239 3.773 ( 1.079 3.782 6.385) 7.499 3.897 ( -1.736 0.907 3.978) 4.434 3.928 ( -4.677 -1.162 2.362) 5.367 4.026 ( -1.160 3.437 -3.500) 5.041 4.189 ( -2.633 -1.441 -2.279) 3.769 4.230 ( -0.039 -4.164 1.214) 4.338 4.397 ( -0.121 1.944 2.967) 3.549 4.588 ( -3.103 -1.810 -5.154) 6.282 4.648 ( -0.118 -2.907 0.865) 3.035 4.919 ( -1.695 0.287 0.375) 1.760 4.959 ( 1.148 1.579 -3.946) 4.402 4.981 ( -0.331 1.473 8.104) 8.244 5.188 ( 6.939 -1.969 -8.891) 11.449 5.819 ( -3.638 2.539 -1.481) 4.677 5.881 ( 0.515 0.320 2.415) 2.490 6.250 ( -6.230 -0.148 9.004) 10.951 6.507 ( 0.358 1.439 4.924) 5.143 6.530 ( -5.498 2.093 0.179) 5.885 6.702 ( -0.253 4.171 1.783) 4.543 6.860 ( 2.396 -1.903 -2.483) 3.941 6.956 ( 0.368 -2.334 3.316) 4.072 7.427 ( -1.305 5.272 -2.869) 6.142 7.492 ( -0.298 5.301 0.822) 5.373 7.687 ( -1.790 -0.065 -2.083) 2.747 7.796 ( -2.750 -4.173 0.264) 5.004 7.993 ( 2.254 0.423 0.867) 2.452 8.189 ( 3.867 -2.475 3.240) 5.620 8.503 ( -4.067 -0.758 11.314) 12.046 8.842 ( 3.906 1.409 -11.253) 11.995 9.245 ( -5.957 -1.481 10.528) 12.186 9.880 ( 8.394 -0.770 -5.652) 10.149 10.342 ( -0.320 2.061 -1.677) 2.676 10.402 ( -0.395 0.183 1.174) 1.252 10.527 ( -3.797 2.184 1.208) 4.543 10.736 ( -14.381 0.200 -3.430) 14.786 10.843 ( -4.243 0.408 4.710) 6.352 11.239 ( -4.551 -12.078 -0.931) 12.941 11.927 ( 13.665 12.429 7.949) 20.110 12.462 ( 16.406 -5.343 -14.705) 22.671 14.325 ( -0.688 -1.976 2.537) 3.288 14.384 ( 1.582 -1.459 -1.141) 2.436 ======================= Grid point 206 (97/129) ======================= q-point: ( 0.38 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -0.550 -0.588 7.459) 7.502 1.659 ( 2.957 0.676 -5.469) 6.253 1.755 ( 2.871 -3.900 4.061) 6.320 1.820 ( 6.780 -2.817 -11.926) 14.005 2.305 ( -3.581 0.757 4.190) 5.563 2.513 ( -3.093 -4.993 0.833) 5.932 2.633 ( -3.606 2.354 7.073) 8.281 2.862 ( -2.179 0.343 -5.060) 5.519 3.029 ( -1.600 -5.106 -0.714) 5.398 3.044 ( -0.267 -2.633 -4.364) 5.104 3.363 ( -1.105 7.817 -6.759) 10.393 3.461 ( 1.500 7.011 -0.598) 7.195 3.642 ( -0.303 3.849 -3.058) 4.925 3.798 ( 0.842 3.178 3.882) 5.087 3.831 ( -3.313 1.163 -2.040) 4.061 3.943 ( -0.386 -2.159 4.149) 4.693 4.017 ( 0.743 -0.451 -0.379) 0.948 4.197 ( 2.703 -1.368 -0.882) 3.155 4.302 ( 1.813 -5.218 1.527) 5.731 4.416 ( 2.734 -0.649 1.125) 3.027 4.525 ( -2.715 -1.382 -5.387) 6.189 4.688 ( 0.711 -2.228 0.307) 2.359 4.847 ( -4.893 -0.077 -0.206) 4.898 4.933 ( 0.678 2.244 -3.974) 4.614 5.010 ( 0.021 2.282 7.819) 8.145 5.267 ( 4.547 -2.349 -8.465) 9.892 5.704 ( -3.708 3.288 0.030) 4.956 5.916 ( 1.741 1.601 4.297) 4.905 6.204 ( -2.826 0.790 3.294) 4.411 6.383 ( -6.630 2.354 0.073) 7.036 6.580 ( 4.162 1.887 8.997) 10.092 6.715 ( 2.440 0.251 -0.277) 2.468 6.898 ( -0.198 -3.561 -2.743) 4.500 7.004 ( 0.286 -1.832 5.720) 6.013 7.339 ( -1.931 3.862 -2.791) 5.141 7.440 ( -1.507 1.805 -0.983) 2.548 7.638 ( -1.579 1.377 -1.953) 2.864 7.793 ( -0.853 0.002 1.959) 2.136 8.023 ( 1.298 -0.865 -1.099) 1.908 8.280 ( 1.854 -2.019 3.449) 4.406 8.519 ( -2.621 -0.553 12.188) 12.479 8.832 ( 3.181 0.544 -11.509) 11.953 9.246 ( -3.014 -1.891 11.701) 12.230 9.869 ( -1.005 5.439 -11.838) 13.066 10.307 ( -0.414 0.843 -0.339) 0.999 10.394 ( -2.319 -1.300 0.964) 2.827 10.524 ( 1.372 0.646 1.510) 2.140 10.613 ( 2.746 -0.272 -3.089) 4.142 10.792 ( -5.895 -2.532 5.354) 8.357 11.294 ( -3.738 -12.357 2.829) 13.217 11.948 ( 4.765 16.351 -1.368) 17.086 12.681 ( 9.700 -5.273 -7.717) 13.470 14.349 ( -0.816 -2.425 2.751) 3.757 14.414 ( 1.594 -0.379 -1.447) 2.186 ======================= Grid point 207 (98/129) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -4.821 2.875 6.860) 8.864 1.608 ( -5.149 3.892 3.907) 7.545 1.818 ( -0.118 -3.438 -1.763) 3.865 1.882 ( 4.688 -2.457 -10.264) 11.548 2.303 ( 0.428 -1.609 1.526) 2.259 2.533 ( 1.623 -2.477 -3.442) 4.541 2.651 ( 1.324 0.823 9.925) 10.047 2.804 ( -2.606 -1.588 -3.702) 4.798 2.978 ( 0.750 3.153 -1.843) 3.728 3.124 ( 1.028 -4.168 -0.948) 4.396 3.213 ( -2.914 3.954 -4.681) 6.785 3.403 ( -2.309 3.381 2.723) 4.917 3.631 ( 0.483 0.782 0.754) 1.189 3.729 ( -2.617 -0.227 0.088) 2.628 3.841 ( 3.275 3.395 -0.217) 4.723 3.968 ( 0.218 -1.418 1.936) 2.409 4.014 ( -0.574 0.415 -0.259) 0.754 4.258 ( 3.972 -2.584 -4.523) 6.550 4.407 ( 2.471 -3.463 1.021) 4.375 4.467 ( -2.797 -0.876 -2.997) 4.192 4.482 ( 2.823 -0.559 -2.367) 3.726 4.689 ( -1.241 -0.211 -2.688) 2.968 4.799 ( -1.966 -1.928 4.112) 4.949 4.893 ( 0.453 2.928 -3.869) 4.873 5.034 ( 0.524 1.781 6.200) 6.472 5.289 ( 1.580 -1.339 -7.944) 8.210 5.652 ( -0.580 1.069 1.450) 1.893 5.943 ( 0.839 1.695 3.241) 3.752 6.197 ( 0.815 -0.297 1.267) 1.536 6.295 ( -1.299 0.215 0.376) 1.369 6.657 ( 1.888 2.666 6.985) 7.711 6.768 ( 3.056 -0.872 -1.455) 3.496 6.881 ( -3.493 -2.622 -1.948) 4.783 7.067 ( 0.319 -2.311 5.876) 6.322 7.260 ( -2.197 1.109 -2.600) 3.580 7.402 ( -0.788 0.438 -0.798) 1.204 7.600 ( 0.235 2.505 0.147) 2.520 7.784 ( 0.057 3.193 3.325) 4.610 8.048 ( 0.664 -3.308 -3.344) 4.750 8.325 ( 0.039 -0.641 2.371) 2.456 8.547 ( -2.589 -0.275 12.556) 12.823 8.812 ( 2.262 0.244 -11.799) 12.016 9.306 ( -0.263 -2.800 12.163) 12.484 9.712 ( -1.546 5.500 -10.253) 11.737 10.302 ( -0.394 0.042 0.344) 0.525 10.375 ( -0.467 -0.123 0.813) 0.946 10.540 ( 1.462 1.008 0.504) 1.846 10.630 ( -3.767 1.644 1.424) 4.350 10.816 ( 4.847 -3.229 -1.923) 6.133 11.376 ( -2.347 -8.368 5.017) 10.035 11.817 ( -0.766 11.508 -0.739) 11.557 12.794 ( 2.513 -4.719 -8.253) 9.833 14.370 ( -1.012 -1.924 2.464) 3.286 14.425 ( 1.002 1.037 -1.931) 2.410 ======================= Grid point 208 (99/129) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -8.809 5.176 11.751) 15.571 1.494 ( -7.204 5.048 10.918) 14.020 1.807 ( -1.720 -1.897 -6.767) 7.236 1.896 ( 0.224 -0.327 -7.268) 7.279 2.354 ( 1.920 -2.966 0.113) 3.535 2.575 ( 5.230 0.992 -5.248) 7.475 2.715 ( -1.128 -0.086 8.773) 8.845 2.772 ( -0.034 -2.184 -3.401) 4.041 2.972 ( 0.411 9.331 0.751) 9.370 3.040 ( 1.766 2.324 -1.079) 3.112 3.278 ( 2.216 -7.577 0.400) 7.905 3.370 ( -3.077 -2.380 5.147) 6.451 3.618 ( -0.236 -1.840 -0.263) 1.874 3.776 ( 3.718 -1.347 2.757) 4.821 3.850 ( 1.257 0.283 -1.643) 2.088 3.997 ( -1.831 -1.917 1.793) 3.200 4.007 ( 3.552 2.286 -0.643) 4.273 4.312 ( 1.727 -0.904 -9.555) 9.751 4.386 ( -2.548 1.743 -4.957) 5.840 4.434 ( -0.155 -0.352 -0.193) 0.431 4.486 ( -0.543 -1.541 -3.555) 3.913 4.677 ( 0.865 1.336 0.015) 1.592 4.834 ( 0.489 -1.472 4.319) 4.589 4.874 ( 1.410 0.222 -1.338) 1.957 5.044 ( -0.351 1.995 3.722) 4.238 5.274 ( 0.448 -0.591 -8.003) 8.038 5.668 ( 0.757 -1.330 3.130) 3.484 5.942 ( -0.943 1.199 1.412) 2.079 6.240 ( 3.733 -1.550 0.037) 4.043 6.362 ( 6.201 -2.173 1.870) 6.831 6.680 ( -0.488 0.727 4.331) 4.418 6.752 ( -4.110 -1.692 -6.378) 7.774 6.854 ( 0.157 1.179 0.424) 1.262 7.071 ( -3.910 -1.229 -0.294) 4.109 7.261 ( 1.349 -2.414 3.888) 4.771 7.406 ( 1.542 0.113 1.424) 2.102 7.600 ( 2.159 2.810 1.782) 3.967 7.772 ( 0.538 3.667 3.445) 5.060 8.070 ( -0.125 -4.473 -5.089) 6.777 8.317 ( -1.608 1.126 0.511) 2.028 8.571 ( -3.091 -0.773 12.374) 12.778 8.778 ( 1.856 0.487 -11.789) 11.944 9.396 ( 1.111 -2.121 4.417) 5.024 9.653 ( 2.809 2.025 1.744) 3.877 10.294 ( -0.739 -0.395 0.982) 1.291 10.389 ( 1.285 0.930 1.389) 2.109 10.514 ( -5.916 1.225 2.168) 6.419 10.581 ( 4.005 1.749 -0.087) 4.372 10.912 ( 5.690 -0.696 -6.011) 8.306 11.364 ( -1.547 6.219 -2.239) 6.788 11.773 ( -3.783 -4.391 11.852) 13.193 12.756 ( -5.951 -3.896 -12.803) 14.646 14.375 ( -1.462 -0.673 2.006) 2.572 14.408 ( 0.442 2.054 -2.466) 3.240 ======================= Grid point 209 (100/129) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -9.480 4.276 14.791) 18.081 1.380 ( -8.370 5.977 15.733) 18.796 1.724 ( -4.364 -0.253 -7.985) 9.103 1.808 ( -3.492 2.939 -8.667) 9.795 2.407 ( -0.395 -1.419 5.586) 5.777 2.595 ( -1.191 5.657 2.890) 6.463 2.721 ( 3.482 -0.983 0.743) 3.694 2.829 ( 4.968 -1.786 -1.544) 5.501 2.929 ( 3.673 2.617 0.029) 4.510 3.089 ( 4.144 2.952 -0.919) 5.170 3.357 ( -2.209 -3.492 4.901) 6.410 3.409 ( 0.353 -7.786 0.859) 7.841 3.653 ( -1.252 -3.549 -1.938) 4.233 3.830 ( 1.689 -0.908 1.741) 2.590 3.926 ( 5.238 -1.990 2.983) 6.348 3.999 ( -0.876 -2.409 0.000) 2.563 4.047 ( 4.537 2.282 -3.180) 5.992 4.215 ( -1.164 1.887 -9.964) 10.208 4.315 ( -1.575 0.234 -6.530) 6.721 4.469 ( 2.013 1.303 4.247) 4.877 4.477 ( -0.095 -1.388 -3.720) 3.971 4.671 ( 1.207 1.426 -1.308) 2.280 4.873 ( -0.173 -0.065 3.727) 3.732 4.909 ( 1.249 -1.489 0.814) 2.107 5.029 ( -1.139 1.488 2.517) 3.138 5.223 ( -0.818 0.228 -9.776) 9.813 5.730 ( 1.231 -1.902 5.826) 6.251 5.904 ( -1.938 2.009 0.427) 2.824 6.369 ( 7.895 -3.996 -1.514) 8.977 6.515 ( 6.679 -2.033 1.436) 7.127 6.648 ( -4.404 -1.281 -6.873) 8.263 6.677 ( -1.708 0.622 4.404) 4.764 6.836 ( -0.111 1.772 -1.935) 2.626 7.012 ( -4.056 -3.254 -1.292) 5.358 7.341 ( 1.146 -3.269 5.483) 6.485 7.460 ( 2.277 -0.807 2.729) 3.645 7.633 ( 4.374 4.164 2.651) 6.595 7.774 ( 0.572 0.775 2.234) 2.432 8.070 ( -1.045 -3.432 -6.129) 7.102 8.252 ( -3.809 2.491 -1.558) 4.811 8.591 ( -3.571 -1.543 11.753) 12.380 8.750 ( 3.185 0.573 -11.505) 11.952 9.424 ( 2.556 0.551 -4.425) 5.139 9.724 ( -1.243 -0.487 7.587) 7.703 10.303 ( -0.104 -1.287 2.054) 2.426 10.403 ( 0.558 1.252 1.404) 1.962 10.496 ( 4.261 -2.830 3.987) 6.486 10.688 ( 12.207 3.459 0.833) 12.715 10.959 ( 2.803 -1.323 -5.939) 6.699 11.245 ( -0.064 9.946 -1.858) 10.118 11.819 ( -8.714 -7.672 15.475) 19.346 12.508 ( -16.685 -0.324 -16.725) 23.626 14.354 ( -2.048 0.637 1.713) 2.745 14.380 ( 0.397 2.201 -2.576) 3.412 ======================= Grid point 210 (101/129) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -7.890 1.793 15.778) 17.732 1.270 ( -7.276 5.087 17.305) 19.450 1.584 ( -5.386 0.920 -9.521) 10.978 1.676 ( -1.136 2.801 -11.112) 11.515 2.424 ( -5.028 1.628 20.120) 20.803 2.563 ( 1.826 2.203 3.254) 4.333 2.836 ( 8.319 -0.492 -5.440) 9.952 2.896 ( 2.581 0.694 -1.132) 2.902 3.022 ( 5.046 -3.984 -1.478) 6.597 3.102 ( 3.038 3.423 -2.646) 5.287 3.338 ( -5.825 -1.872 6.073) 8.621 3.496 ( -1.447 -7.167 -2.441) 7.708 3.597 ( -1.392 2.429 -0.397) 2.828 3.895 ( 2.263 -1.973 -0.282) 3.015 3.973 ( 0.261 1.395 -10.816) 10.908 4.020 ( 0.439 -2.005 0.645) 2.151 4.105 ( 5.624 -1.751 -1.447) 6.065 4.222 ( 4.968 0.353 0.655) 5.023 4.287 ( -0.489 -3.657 -2.460) 4.435 4.434 ( -3.385 1.071 -1.582) 3.887 4.524 ( 3.939 2.704 7.056) 8.521 4.707 ( 5.321 -0.578 -4.218) 6.815 4.839 ( -4.734 2.075 2.362) 5.683 4.918 ( -3.169 -0.722 0.167) 3.254 5.022 ( 0.031 -0.096 2.165) 2.167 5.159 ( 0.654 -0.004 -10.106) 10.127 5.792 ( -0.000 -0.798 6.882) 6.928 5.858 ( -1.233 1.540 0.735) 2.106 6.495 ( 4.064 -0.485 -7.844) 8.848 6.583 ( -1.742 -1.060 -0.884) 2.222 6.615 ( 2.870 -3.336 0.486) 4.427 6.680 ( 1.085 3.119 3.640) 4.915 6.810 ( -1.048 -0.535 1.561) 1.955 6.993 ( -1.439 -4.289 -3.642) 5.808 7.428 ( 1.083 -4.229 6.164) 7.553 7.507 ( 1.148 0.070 2.764) 2.994 7.692 ( 5.203 3.583 2.136) 6.668 7.794 ( -0.221 -1.979 0.087) 1.993 8.042 ( -0.458 -1.134 -6.500) 6.614 8.120 ( -6.914 3.055 -2.447) 7.945 8.601 ( -4.607 -1.313 11.348) 12.317 8.761 ( 5.701 -0.016 -11.246) 12.609 9.455 ( 4.846 0.495 -4.392) 6.559 9.641 ( -9.232 1.766 2.394) 9.700 10.340 ( 1.190 -1.739 1.709) 2.713 10.399 ( -0.399 0.546 0.709) 0.980 10.721 ( 10.765 -7.041 -0.191) 12.865 10.918 ( 8.329 3.430 0.269) 9.012 11.031 ( 10.335 -5.794 1.110) 11.900 11.187 ( 7.454 9.576 1.681) 12.251 11.755 ( -15.152 -4.373 13.284) 20.619 12.040 ( -22.375 4.966 -15.226) 27.516 14.323 ( -1.599 0.823 1.705) 2.478 14.353 ( 0.190 1.439 -2.055) 2.516 ======================= Grid point 212 (102/129) ======================= q-point: ( 0.12 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 2.520 0.000 15.174) 15.382 1.558 ( 8.047 0.000 7.713) 11.146 1.618 ( 8.053 0.000 -10.890) 13.544 1.640 ( 12.034 0.000 -14.355) 18.732 2.389 ( -6.153 -0.000 8.392) 10.406 2.504 ( -7.568 -0.000 3.543) 8.357 2.772 ( -8.834 -0.000 4.665) 9.990 2.868 ( 1.042 0.000 -9.290) 9.349 2.981 ( 0.111 0.000 -5.792) 5.793 3.053 ( -4.313 -0.000 -1.195) 4.476 3.532 ( 6.104 0.000 11.325) 12.866 3.553 ( 5.124 0.000 -8.560) 9.976 3.703 ( 3.025 0.000 -16.686) 16.958 3.838 ( 3.770 0.000 2.505) 4.527 3.887 ( -5.634 -0.000 8.935) 10.562 3.935 ( -2.963 -0.000 -2.535) 3.899 4.104 ( -5.440 -0.000 -1.361) 5.608 4.110 ( -1.022 -0.000 -4.656) 4.767 4.206 ( -4.232 -0.000 4.677) 6.308 4.417 ( -1.332 -0.000 2.739) 3.046 4.574 ( -1.396 -0.000 -5.545) 5.718 4.613 ( -0.008 -0.000 2.025) 2.025 4.916 ( -1.711 -0.000 1.609) 2.349 4.975 ( 1.275 0.000 -4.677) 4.848 5.001 ( -0.319 -0.000 8.747) 8.753 5.166 ( 6.784 0.000 -10.577) 12.566 5.857 ( -3.087 -0.000 -3.791) 4.889 5.867 ( 1.546 0.000 3.233) 3.584 6.252 ( -5.571 -0.000 10.948) 12.284 6.521 ( -0.268 -0.000 5.559) 5.566 6.546 ( -3.703 -0.000 -0.789) 3.786 6.772 ( -4.296 -0.000 0.233) 4.303 6.847 ( 2.794 0.000 -6.247) 6.843 6.906 ( -0.835 -0.000 9.609) 9.645 7.496 ( -2.107 -0.000 -1.427) 2.545 7.541 ( -4.342 -0.000 -6.387) 7.723 7.710 ( 3.421 0.000 -5.692) 6.641 7.719 ( -3.323 -0.000 4.895) 5.916 8.006 ( 2.421 0.000 3.533) 4.283 8.160 ( 4.258 0.000 2.907) 5.156 8.493 ( -4.269 -0.000 11.340) 12.117 8.861 ( 3.306 0.000 -11.218) 11.695 9.229 ( -5.569 -0.000 9.936) 11.390 9.862 ( 10.211 0.000 -3.254) 10.717 10.370 ( 0.440 0.000 -1.906) 1.956 10.400 ( -1.439 -0.000 0.264) 1.463 10.559 ( -6.147 -0.000 2.972) 6.828 10.721 ( -13.481 -0.000 -5.201) 14.449 10.881 ( -7.708 -0.000 3.349) 8.404 11.089 ( -2.386 -0.000 0.164) 2.392 12.091 ( 17.657 0.000 17.024) 24.527 12.373 ( 14.475 0.000 -23.232) 27.373 14.304 ( -0.690 -0.000 2.267) 2.370 14.367 ( 2.004 0.000 -0.696) 2.121 ======================= Grid point 213 (103/129) ======================= q-point: ( 0.25 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 1.520 -0.196 10.961) 11.068 1.646 ( 4.909 -1.544 -8.505) 9.941 1.731 ( 6.819 1.185 -2.442) 7.339 1.769 ( 6.919 -2.249 -7.021) 10.111 2.335 ( -3.956 2.072 5.732) 7.266 2.414 ( -5.916 -4.155 3.446) 8.009 2.671 ( -5.031 1.131 7.214) 8.867 2.870 ( 1.543 -1.150 -4.501) 4.895 2.928 ( -2.072 0.391 -4.120) 4.629 2.993 ( -3.150 -3.943 -2.227) 5.516 3.503 ( -1.515 4.773 -9.211) 10.484 3.583 ( -1.343 4.280 1.202) 4.644 3.679 ( 0.524 -0.579 -10.315) 10.344 3.849 ( -1.885 0.324 -2.250) 2.953 3.881 ( 2.115 3.623 5.426) 6.858 3.916 ( 1.139 0.176 0.497) 1.255 4.038 ( 1.112 3.101 0.577) 3.344 4.137 ( 1.848 -5.167 -0.212) 5.492 4.209 ( 0.378 -2.984 5.686) 6.432 4.406 ( -0.996 -0.258 3.319) 3.474 4.523 ( -1.469 0.633 -4.114) 4.415 4.646 ( 1.351 -1.526 0.894) 2.225 4.836 ( -6.361 -0.613 -0.075) 6.391 4.956 ( 0.267 0.333 -4.193) 4.215 5.057 ( 0.439 1.924 9.191) 9.400 5.222 ( 5.271 -1.740 -11.228) 12.525 5.769 ( -3.030 2.514 -1.045) 4.073 5.916 ( 1.418 -0.903 2.231) 2.793 6.235 ( -2.225 1.584 5.474) 6.118 6.413 ( -8.637 0.627 -1.095) 8.729 6.595 ( 4.044 -0.026 8.793) 9.679 6.741 ( 0.317 1.409 1.564) 2.129 6.847 ( 0.204 -1.181 -5.556) 5.684 6.960 ( -0.369 -1.889 9.282) 9.480 7.407 ( -3.770 2.514 -4.671) 6.508 7.447 ( -3.725 -0.592 -2.692) 4.634 7.674 ( -1.617 1.933 0.637) 2.600 7.758 ( 3.070 -2.519 -5.842) 7.064 8.046 ( 0.595 1.763 3.854) 4.279 8.243 ( 2.405 -1.251 3.836) 4.698 8.509 ( -1.897 -0.347 12.120) 12.272 8.845 ( 2.381 0.492 -10.996) 11.261 9.221 ( -2.652 -0.599 11.011) 11.342 9.937 ( 1.403 1.404 -11.010) 11.188 10.341 ( -1.663 2.144 -1.744) 3.225 10.374 ( -1.880 -0.705 0.868) 2.188 10.517 ( -0.596 -1.067 0.464) 1.307 10.588 ( 3.359 -1.190 -3.926) 5.303 10.790 ( -5.994 1.003 6.148) 8.645 11.102 ( -1.640 -5.864 4.466) 7.551 12.267 ( 5.983 15.274 -3.225) 16.718 12.526 ( 7.389 -10.597 -4.610) 13.717 14.312 ( -0.558 -1.098 2.678) 2.948 14.405 ( 2.447 -0.353 -0.645) 2.555 ======================= Grid point 214 (104/129) ======================= q-point: ( 0.38 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -1.064 1.921 4.098) 4.649 1.670 ( -0.184 1.261 -1.204) 1.753 1.778 ( -1.823 -0.050 5.242) 5.550 1.841 ( 6.493 -1.615 -10.862) 12.758 2.285 ( -2.672 -0.250 3.327) 4.275 2.444 ( 1.616 -5.381 1.053) 5.716 2.672 ( 0.352 0.490 9.649) 9.668 2.800 ( -3.353 1.767 -3.406) 5.095 2.964 ( -1.648 -3.949 -5.819) 7.223 2.982 ( 1.970 -5.523 1.876) 6.156 3.357 ( -3.003 6.369 -6.709) 9.726 3.500 ( -2.603 4.830 -0.448) 5.505 3.638 ( 0.141 -0.346 -2.283) 2.314 3.775 ( -3.263 3.644 -0.984) 4.990 3.887 ( 0.843 0.312 -7.302) 7.357 3.952 ( 2.059 1.684 3.589) 4.467 4.036 ( 1.812 2.127 -0.244) 2.805 4.228 ( 3.156 -1.304 0.963) 3.548 4.324 ( 4.430 -4.283 4.891) 7.867 4.433 ( -1.384 -3.008 1.554) 3.658 4.486 ( 1.278 1.612 -1.472) 2.530 4.670 ( -0.704 -1.457 -2.030) 2.596 4.755 ( -4.075 -2.312 3.003) 5.565 4.935 ( 0.348 1.003 -4.543) 4.665 5.075 ( 0.219 2.669 5.976) 6.549 5.251 ( 2.074 -2.404 -8.739) 9.298 5.704 ( -0.730 3.689 -0.202) 3.766 5.941 ( -1.219 -1.760 0.350) 2.169 6.210 ( 0.364 1.754 1.509) 2.342 6.299 ( -3.353 -0.137 0.278) 3.367 6.702 ( 1.553 1.319 6.938) 7.232 6.757 ( 2.318 -0.156 0.377) 2.354 6.811 ( -3.657 -3.272 -3.572) 6.069 7.030 ( 0.755 -1.354 8.916) 9.050 7.299 ( -3.512 2.356 -3.569) 5.533 7.393 ( -1.892 -1.120 -1.517) 2.671 7.639 ( -0.405 1.521 -0.003) 1.574 7.804 ( 3.583 -1.468 -5.629) 6.832 8.037 ( -1.302 2.012 3.072) 3.897 8.304 ( 0.744 -1.301 3.467) 3.777 8.548 ( -1.680 0.277 12.109) 12.228 8.818 ( 2.025 0.286 -11.297) 11.481 9.266 ( -0.551 -1.298 12.225) 12.306 9.806 ( -2.388 3.644 -14.618) 15.253 10.305 ( -0.757 0.420 -0.003) 0.866 10.371 ( 0.557 -0.327 0.928) 1.131 10.520 ( -0.548 -2.405 -1.197) 2.742 10.655 ( -2.460 0.717 -1.130) 2.800 10.804 ( 9.455 1.563 3.699) 10.273 11.194 ( 0.219 -8.237 9.292) 12.419 12.092 ( -2.438 14.474 -10.980) 18.330 12.669 ( -0.802 -7.806 0.207) 7.850 14.334 ( -0.343 -1.548 2.978) 3.373 14.439 ( 1.886 0.422 -1.094) 2.221 ======================= Grid point 215 (105/129) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -4.676 4.898 7.267) 9.933 1.598 ( -5.268 5.414 8.286) 11.213 1.770 ( -1.031 -1.797 -1.740) 2.706 1.888 ( 2.380 -0.327 -6.145) 6.598 2.304 ( 2.048 -2.127 1.548) 3.334 2.551 ( 5.621 -3.129 -2.359) 6.852 2.729 ( -1.507 0.983 -0.005) 1.799 2.742 ( 0.827 -0.532 6.332) 6.408 2.961 ( 1.119 -5.641 -4.446) 7.269 3.091 ( 0.531 -5.996 2.319) 6.451 3.234 ( 0.423 6.539 -3.452) 7.406 3.390 ( -4.189 5.202 2.087) 6.997 3.635 ( -2.595 3.378 -0.731) 4.322 3.730 ( 2.528 -2.626 5.005) 6.192 3.851 ( -0.298 -0.953 -8.325) 8.384 3.953 ( -2.774 -1.298 2.893) 4.213 4.065 ( 4.445 3.298 -1.614) 5.766 4.300 ( 5.056 -0.257 -5.447) 7.436 4.414 ( -0.804 -2.579 -1.541) 3.110 4.433 ( -1.386 2.817 1.840) 3.639 4.456 ( -0.395 -0.877 -1.180) 1.523 4.681 ( 1.136 -1.088 1.092) 1.915 4.776 ( -0.233 -3.640 4.032) 5.437 4.898 ( 0.182 1.684 -3.175) 3.598 5.080 ( -0.057 1.726 2.084) 2.707 5.251 ( 0.485 -1.853 -6.805) 7.070 5.670 ( 0.120 1.794 0.706) 1.932 5.928 ( -1.821 -2.708 -1.144) 3.458 6.237 ( 3.258 0.898 -0.332) 3.395 6.317 ( 3.673 -2.014 1.936) 4.615 6.700 ( -1.153 1.194 -0.745) 1.819 6.718 ( -4.206 -1.447 -4.437) 6.283 6.835 ( -1.231 -3.031 5.891) 6.738 7.073 ( -1.122 1.044 1.607) 2.221 7.227 ( -1.472 -0.363 1.499) 2.132 7.386 ( -0.869 -2.168 0.340) 2.360 7.644 ( 2.858 1.988 1.529) 3.803 7.841 ( 3.215 1.493 -3.018) 4.656 8.008 ( -1.961 -0.702 0.185) 2.091 8.326 ( -0.981 -0.248 2.126) 2.354 8.571 ( -2.649 0.685 11.674) 11.990 8.786 ( 1.875 0.304 -11.472) 11.628 9.354 ( 0.917 -2.015 11.257) 11.473 9.694 ( 1.233 1.986 -10.003) 10.272 10.290 ( -0.907 -0.028 0.585) 1.080 10.401 ( 1.425 0.196 1.477) 2.062 10.533 ( -1.504 0.044 0.021) 1.505 10.583 ( -0.372 -0.820 -0.609) 1.087 10.946 ( 7.930 4.189 -1.642) 9.118 11.364 ( 3.833 -5.770 10.261) 12.380 11.835 ( -5.939 10.031 -7.400) 13.807 12.651 ( -8.546 -6.547 -3.732) 11.394 14.357 ( -0.409 -1.016 2.882) 3.083 14.446 ( 0.983 1.554 -1.807) 2.578 ======================= Grid point 216 (106/129) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -7.780 7.065 11.667) 15.702 1.511 ( -5.241 6.687 12.723) 15.299 1.734 ( -2.128 0.901 -5.298) 5.780 1.853 ( -1.663 1.489 -5.950) 6.355 2.394 ( 4.871 -0.216 2.239) 5.365 2.662 ( 6.816 -0.029 -3.580) 7.699 2.703 ( -1.782 -0.104 3.669) 4.080 2.798 ( 2.650 -0.385 4.828) 5.521 3.042 ( -0.310 1.590 0.042) 1.621 3.076 ( 1.491 -1.674 -1.121) 2.506 3.256 ( 2.197 -4.303 -1.091) 4.953 3.323 ( -2.194 0.663 3.784) 4.424 3.576 ( -1.827 -2.134 -0.477) 2.849 3.808 ( -0.654 -1.638 -3.876) 4.259 3.877 ( 5.452 -2.775 5.276) 8.078 3.940 ( -2.978 -3.722 2.624) 5.441 4.089 ( 2.834 1.834 -4.300) 5.466 4.247 ( -3.011 2.726 -10.014) 10.806 4.364 ( -0.379 3.415 -4.422) 5.600 4.424 ( 0.211 -3.590 -3.852) 5.270 4.509 ( 4.381 2.734 5.459) 7.514 4.697 ( 0.042 0.801 1.056) 1.326 4.833 ( -0.327 -4.358 2.351) 4.962 4.900 ( 1.672 0.734 0.676) 1.947 5.058 ( -1.291 1.397 0.185) 1.912 5.221 ( -0.896 -0.575 -8.107) 8.177 5.693 ( 1.148 -1.391 4.334) 4.694 5.921 ( -0.715 -0.977 -1.567) 1.980 6.315 ( 6.528 -1.129 -0.146) 6.627 6.449 ( 5.605 -4.117 1.641) 7.146 6.618 ( -3.916 -1.434 -6.536) 7.753 6.682 ( -0.459 0.457 -0.092) 0.654 6.846 ( -3.772 -2.388 4.744) 6.514 6.992 ( -4.194 2.414 -3.371) 5.898 7.266 ( 0.224 -4.104 3.756) 5.568 7.399 ( -1.709 -4.451 0.568) 4.802 7.707 ( 5.238 3.507 4.298) 7.629 7.841 ( 0.915 4.433 1.050) 4.646 7.997 ( -0.342 -3.384 -4.488) 5.631 8.293 ( -3.026 1.369 -0.210) 3.327 8.575 ( -3.547 0.100 11.234) 11.781 8.758 ( 2.671 0.320 -11.202) 11.520 9.430 ( 1.500 -0.325 4.106) 4.384 9.699 ( 1.439 -1.640 -1.454) 2.622 10.285 ( -0.544 -0.472 1.397) 1.571 10.418 ( -0.141 -0.009 0.531) 0.550 10.474 ( -1.315 0.333 2.288) 2.660 10.710 ( 12.384 -0.871 -0.892) 12.447 10.974 ( 1.237 2.460 -3.190) 4.214 11.450 ( 1.846 8.593 2.426) 9.118 11.697 ( -3.310 -2.139 4.578) 6.041 12.465 ( -15.869 -4.070 -7.816) 18.151 14.365 ( -0.935 0.330 2.492) 2.682 14.427 ( 0.559 2.300 -2.321) 3.315 ======================= Grid point 217 (107/129) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -6.295 6.680 13.525) 16.346 1.414 ( -5.835 8.522 14.987) 18.201 1.628 ( -2.549 3.489 -8.410) 9.456 1.754 ( -1.420 4.220 -8.496) 9.592 2.474 ( 2.157 3.021 9.707) 10.392 2.642 ( -2.823 4.982 9.216) 10.850 2.815 ( 8.490 -1.946 -3.199) 9.279 2.890 ( 3.674 -1.811 1.734) 4.448 2.994 ( 0.924 2.230 -0.509) 2.466 3.124 ( -0.109 -2.694 -4.792) 5.498 3.302 ( -2.128 -0.508 1.902) 2.899 3.339 ( 0.939 -7.011 -1.368) 7.205 3.588 ( -1.131 -2.978 1.577) 3.555 3.830 ( 1.556 -4.025 -1.104) 4.455 3.951 ( -1.055 -4.138 -0.684) 4.325 4.016 ( 2.975 -0.845 5.883) 6.647 4.042 ( -0.765 -1.524 -11.780) 11.902 4.182 ( 0.719 -1.370 -2.738) 3.145 4.305 ( 0.859 3.477 -3.819) 5.236 4.423 ( -1.269 -1.578 -2.748) 3.413 4.591 ( 4.776 3.088 5.687) 8.043 4.710 ( 2.449 1.045 1.176) 2.911 4.870 ( -1.028 -2.775 0.795) 3.064 4.901 ( -1.688 1.772 0.698) 2.545 5.021 ( -1.630 0.194 0.309) 1.671 5.158 ( -0.245 -0.166 -10.325) 10.330 5.762 ( 0.390 -2.032 7.496) 7.777 5.899 ( -0.402 1.748 -1.067) 2.087 6.475 ( 8.681 -2.095 -1.120) 9.000 6.546 ( 1.365 -3.477 -2.022) 4.247 6.550 ( -2.686 -1.369 -0.973) 3.168 6.713 ( 3.188 -0.650 1.834) 3.735 6.810 ( -3.723 0.341 -0.466) 3.768 6.885 ( -5.555 -4.011 -1.794) 7.083 7.335 ( 0.557 -4.817 3.232) 5.827 7.428 ( -1.569 -7.057 -0.165) 7.232 7.765 ( -0.052 3.074 7.870) 8.449 7.820 ( 3.158 4.594 -0.263) 5.581 8.008 ( 1.736 -1.945 -5.936) 6.484 8.191 ( -5.412 3.280 -2.330) 6.744 8.573 ( -4.210 -0.949 10.861) 11.687 8.757 ( 4.413 -0.229 -10.907) 11.768 9.471 ( 1.228 0.683 3.380) 3.660 9.678 ( -3.305 1.145 -2.988) 4.601 10.302 ( 0.397 -1.656 1.958) 2.595 10.398 ( -1.366 -0.735 -1.229) 1.979 10.578 ( 7.498 -5.887 2.562) 9.871 10.905 ( -3.825 -4.044 -3.337) 6.490 11.002 ( 16.409 1.564 2.475) 16.668 11.383 ( 2.086 9.821 2.298) 10.299 11.705 ( -2.664 0.555 6.434) 6.986 12.120 ( -18.929 1.811 -9.618) 21.309 14.349 ( -1.134 1.553 2.192) 2.916 14.398 ( 0.311 2.597 -2.310) 3.490 ======================= Grid point 218 (108/129) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -1.576 4.801 13.876) 14.767 1.342 ( -2.220 7.411 16.282) 18.027 1.524 ( 1.892 4.315 -10.449) 11.462 1.653 ( 1.597 4.587 -11.625) 12.599 2.499 ( -3.771 5.094 18.275) 19.343 2.619 ( -1.198 1.343 5.462) 5.751 2.917 ( 3.248 0.198 -4.547) 5.591 2.940 ( 3.360 1.848 -3.910) 5.477 3.020 ( -0.702 -2.518 1.807) 3.178 3.107 ( -0.398 -3.886 -6.036) 7.190 3.306 ( 1.634 1.003 3.561) 4.044 3.372 ( -2.083 -5.861 -2.781) 6.813 3.633 ( 2.677 -1.653 3.261) 4.531 3.859 ( 0.533 -1.947 -13.264) 13.417 3.945 ( -0.485 -0.620 -1.500) 1.694 3.992 ( -0.669 -2.400 -1.286) 2.804 4.129 ( -0.206 -6.443 3.154) 7.177 4.217 ( 0.568 -3.379 -1.186) 3.625 4.291 ( 0.512 0.840 2.385) 2.580 4.384 ( -1.831 -0.051 -3.442) 3.899 4.676 ( 3.372 2.097 6.083) 7.265 4.745 ( 0.039 1.521 4.342) 4.601 4.811 ( -5.204 2.479 -2.205) 6.171 4.865 ( 3.671 1.633 -4.612) 6.117 5.017 ( -0.827 -1.743 1.429) 2.401 5.126 ( 1.917 -0.947 -9.108) 9.356 5.809 ( -1.099 -0.892 6.702) 6.850 5.877 ( 0.884 2.052 -0.198) 2.243 6.495 ( -4.029 -0.862 -0.686) 4.177 6.530 ( 1.822 0.580 -3.376) 3.879 6.629 ( -6.652 1.983 4.063) 8.043 6.713 ( 4.762 -3.016 -1.568) 5.851 6.795 ( -2.223 -4.355 5.541) 7.390 6.901 ( 1.569 -5.297 -4.575) 7.172 7.420 ( 1.057 -6.051 3.913) 7.283 7.478 ( -0.554 -6.979 -1.315) 7.124 7.744 ( -3.659 0.051 6.590) 7.538 7.847 ( 4.788 5.340 -1.620) 7.353 8.030 ( -4.764 3.318 -1.934) 6.119 8.034 ( 1.685 1.602 -3.749) 4.412 8.562 ( -5.272 -1.011 10.672) 11.946 8.793 ( 5.685 -1.298 -11.012) 12.461 9.447 ( -9.492 -0.079 9.021) 13.095 9.620 ( 6.784 5.063 -7.483) 11.299 10.349 ( 1.179 -2.373 1.799) 3.203 10.382 ( -0.847 -1.208 -1.255) 1.937 10.789 ( 1.496 -7.611 2.100) 8.036 10.825 ( -4.863 -5.651 -1.540) 7.613 11.253 ( 10.751 1.311 4.417) 11.697 11.320 ( -5.987 2.659 -2.118) 6.885 11.599 ( -16.194 6.015 12.472) 21.307 11.903 ( 17.118 6.266 -16.164) 24.363 14.325 ( -0.936 1.753 2.164) 2.938 14.367 ( 0.418 2.302 -1.827) 2.968 ======================= Grid point 221 (109/129) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -0.007 -0.000 7.027) 7.027 1.661 ( 2.313 0.000 -5.750) 6.198 1.794 ( -2.869 -0.000 6.142) 6.779 1.822 ( 8.211 0.000 -11.078) 13.789 2.288 ( -5.632 -0.000 3.568) 6.667 2.376 ( 2.558 0.000 3.320) 4.191 2.673 ( -0.591 -0.000 8.231) 8.252 2.847 ( -4.506 -0.000 -0.713) 4.562 2.906 ( -0.707 -0.000 -6.795) 6.832 2.916 ( 2.040 0.000 1.616) 2.603 3.426 ( -3.863 -0.000 -7.904) 8.797 3.548 ( -2.809 -0.000 3.082) 4.170 3.633 ( -0.433 -0.000 -7.561) 7.574 3.804 ( -2.413 -0.000 -3.083) 3.914 3.892 ( -1.314 -0.000 -9.128) 9.222 3.991 ( 7.052 0.000 -0.590) 7.077 4.092 ( 0.499 0.000 -2.034) 2.095 4.176 ( 3.483 0.000 9.335) 9.964 4.288 ( 5.590 0.000 7.428) 9.296 4.388 ( -3.538 -0.000 2.128) 4.129 4.513 ( 2.286 0.000 0.205) 2.295 4.649 ( -1.312 -0.000 -2.548) 2.866 4.727 ( -5.056 -0.000 3.342) 6.061 4.941 ( 0.792 0.000 -5.086) 5.147 5.117 ( -0.792 -0.000 9.302) 9.336 5.215 ( 2.994 0.000 -12.572) 12.923 5.756 ( 0.084 0.000 -0.931) 0.935 5.908 ( -2.706 -0.000 -0.970) 2.874 6.244 ( 0.076 0.000 1.401) 1.403 6.287 ( -4.520 -0.000 0.665) 4.569 6.704 ( 2.017 0.000 9.141) 9.361 6.757 ( -0.554 -0.000 1.619) 1.711 6.785 ( -2.100 -0.000 -7.697) 7.979 7.016 ( 1.468 0.000 10.174) 10.279 7.331 ( -2.671 -0.000 -3.532) 4.428 7.374 ( -3.584 -0.000 -2.199) 4.204 7.658 ( -1.726 -0.000 3.310) 3.733 7.776 ( 5.634 0.000 -11.285) 12.613 8.069 ( -2.033 -0.000 5.046) 5.440 8.287 ( 1.099 0.000 3.675) 3.835 8.552 ( -1.069 -0.000 11.923) 11.971 8.821 ( 1.764 0.000 -11.015) 11.155 9.254 ( -0.716 -0.000 12.183) 12.204 9.844 ( -2.631 -0.000 -16.185) 16.397 10.314 ( -1.396 -0.000 -0.748) 1.584 10.366 ( 0.993 0.000 0.916) 1.351 10.486 ( -0.664 -0.000 -1.413) 1.561 10.661 ( -1.617 -0.000 -2.464) 2.948 10.832 ( 12.050 0.000 7.090) 13.981 11.101 ( -0.251 -0.000 8.846) 8.850 12.290 ( -2.523 -0.000 -24.376) 24.507 12.543 ( -2.477 -0.000 14.375) 14.586 14.317 ( -0.016 -0.000 3.085) 3.085 14.443 ( 2.260 0.000 -0.664) 2.355 ======================= Grid point 222 (110/129) ======================= q-point: (-0.62 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -0.528 2.970 2.761) 4.089 1.678 ( -1.129 1.377 3.855) 4.247 1.745 ( -4.749 -0.303 5.455) 7.238 1.886 ( 3.469 0.030 -5.391) 6.411 2.270 ( 1.606 -1.124 3.376) 3.904 2.483 ( 6.821 -2.582 -0.157) 7.295 2.721 ( 0.778 -0.413 3.912) 4.010 2.771 ( -1.637 1.708 2.139) 3.190 2.868 ( -1.215 -2.882 -5.796) 6.586 2.977 ( 0.556 -3.874 3.256) 5.091 3.312 ( -2.845 1.794 -6.875) 7.654 3.528 ( 0.058 6.632 1.148) 6.730 3.639 ( 2.511 -4.198 3.234) 5.864 3.724 ( -5.346 1.273 -0.946) 5.576 3.815 ( -0.424 -1.188 -11.111) 11.183 4.012 ( -2.162 6.153 1.030) 6.603 4.126 ( 5.673 2.511 -3.041) 6.909 4.258 ( 0.049 -4.813 1.536) 5.053 4.354 ( -1.119 -1.973 1.338) 2.634 4.426 ( 4.595 -1.337 2.328) 5.322 4.521 ( -1.647 5.426 1.807) 5.952 4.629 ( 1.223 -4.426 1.857) 4.953 4.723 ( -0.226 -1.178 3.469) 3.670 4.921 ( 0.332 0.484 -5.471) 5.502 5.124 ( -0.899 2.607 3.993) 4.853 5.203 ( 0.828 -2.668 -8.251) 8.711 5.735 ( -0.092 4.197 -1.505) 4.460 5.848 ( -3.501 -4.673 -2.932) 6.534 6.260 ( 3.075 1.219 -0.108) 3.310 6.287 ( 1.661 -1.240 1.538) 2.581 6.686 ( -4.059 -0.751 -6.730) 7.896 6.734 ( -2.069 0.968 4.466) 5.016 6.772 ( -1.009 -2.143 2.666) 3.566 7.088 ( 1.168 0.263 4.980) 5.122 7.257 ( -3.236 2.995 -0.704) 4.465 7.327 ( -3.006 -3.523 -0.326) 4.642 7.680 ( 3.158 1.355 4.175) 5.408 7.824 ( 5.896 -1.560 -10.469) 12.116 8.032 ( -4.313 1.494 5.129) 6.866 8.316 ( -0.271 -0.450 2.807) 2.856 8.586 ( -2.066 0.585 11.101) 11.307 8.790 ( 1.829 0.102 -11.306) 11.453 9.324 ( 0.193 -0.836 13.507) 13.534 9.724 ( 0.117 0.908 -15.476) 15.504 10.293 ( -0.698 0.233 0.005) 0.736 10.398 ( 0.573 -0.383 1.165) 1.354 10.510 ( 5.160 -1.247 -2.084) 5.703 10.581 ( -5.198 0.262 0.595) 5.238 11.063 ( 7.802 7.226 3.560) 11.214 11.218 ( 7.707 -8.084 8.077) 13.784 12.045 ( -5.786 8.230 -17.323) 20.033 12.517 ( -11.188 -5.624 7.193) 14.441 14.341 ( 0.322 -0.496 3.293) 3.346 14.467 ( 1.275 0.529 -1.176) 1.813 ======================= Grid point 223 (111/129) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -5.509 6.582 8.206) 11.874 1.629 ( -2.492 4.904 9.360) 10.857 1.742 ( 0.199 -0.565 -0.880) 1.065 1.871 ( -1.569 0.505 -3.087) 3.500 2.389 ( 8.081 -0.404 2.762) 8.550 2.628 ( 7.430 -2.308 -2.285) 8.108 2.708 ( 0.167 0.770 -2.999) 3.101 2.812 ( 1.545 1.110 9.013) 9.212 2.898 ( 1.803 -7.750 -2.743) 8.417 3.028 ( -2.666 -5.902 2.687) 7.012 3.244 ( 0.172 0.766 -4.590) 4.657 3.453 ( 0.747 9.309 0.939) 9.386 3.594 ( -5.665 2.896 0.269) 6.368 3.748 ( -0.726 -5.091 -2.145) 5.572 3.828 ( 5.344 -1.634 2.617) 6.171 3.903 ( -4.833 2.071 1.249) 5.404 4.119 ( -0.676 0.926 -4.175) 4.329 4.300 ( -4.758 -1.520 -3.415) 6.051 4.353 ( 4.593 -0.138 -5.716) 7.334 4.417 ( 0.151 1.543 -1.942) 2.485 4.569 ( 4.760 2.621 7.321) 9.117 4.691 ( 0.669 -1.691 1.523) 2.372 4.749 ( -1.448 -2.620 2.425) 3.852 4.904 ( 1.127 -0.532 -2.610) 2.892 5.090 ( -1.033 2.137 -0.502) 2.426 5.195 ( -0.778 -2.095 -5.840) 6.253 5.690 ( -0.181 1.277 0.898) 1.571 5.860 ( 0.289 -4.619 -2.782) 5.400 6.318 ( 5.304 0.889 -1.261) 5.524 6.372 ( 4.201 -3.262 2.015) 5.687 6.599 ( -2.458 -0.468 -6.167) 6.656 6.700 ( -2.678 0.662 2.296) 3.589 6.774 ( -3.716 -3.198 2.884) 5.688 7.068 ( -2.120 4.043 -3.925) 6.021 7.199 ( -2.495 -2.041 3.738) 4.936 7.311 ( -3.649 -4.282 0.369) 5.638 7.771 ( 5.476 2.755 6.622) 9.024 7.884 ( 4.997 -0.700 -7.644) 9.160 7.965 ( -4.219 0.555 3.391) 5.441 8.308 ( -2.133 0.415 1.117) 2.443 8.589 ( -3.384 0.981 10.296) 10.883 8.763 ( 2.533 0.214 -11.213) 11.498 9.409 ( -0.293 -1.432 12.270) 12.357 9.677 ( 2.968 -0.524 -11.569) 11.955 10.284 ( -0.356 0.335 0.873) 1.001 10.401 ( -0.903 -1.395 -0.111) 1.666 10.493 ( -3.639 1.066 1.136) 3.958 10.686 ( 13.438 -1.057 -0.555) 13.491 11.029 ( -4.855 2.647 0.326) 5.539 11.492 ( 11.558 -1.838 2.874) 12.051 11.808 ( -2.700 9.981 -5.554) 11.736 12.356 ( -16.896 -6.413 0.916) 18.095 14.366 ( 0.089 -0.088 3.091) 3.093 14.464 ( 0.492 1.292 -1.773) 2.249 ======================= Grid point 224 (112/129) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -4.973 7.735 10.570) 14.010 1.579 ( -2.934 7.769 11.287) 14.013 1.706 ( -0.186 3.859 -5.631) 6.829 1.817 ( -1.114 1.830 -3.688) 4.265 2.530 ( 6.326 2.352 4.258) 7.980 2.705 ( -0.426 0.388 3.338) 3.387 2.755 ( 6.125 -3.216 -2.046) 7.214 2.884 ( 2.554 1.602 7.887) 8.443 2.994 ( -0.320 -8.938 -5.665) 10.587 3.026 ( -2.422 -1.433 3.714) 4.659 3.240 ( 1.188 -0.727 -2.966) 3.276 3.390 ( 1.365 6.482 -2.982) 7.264 3.530 ( -0.872 -0.746 4.028) 4.189 3.754 ( 0.445 -3.503 -3.399) 4.902 3.850 ( -3.654 -5.091 0.887) 6.329 3.946 ( -1.733 -2.817 7.511) 8.207 4.064 ( 0.338 0.218 -7.523) 7.533 4.206 ( 0.796 3.232 -5.792) 6.680 4.373 ( 0.560 1.367 -4.991) 5.205 4.393 ( -0.579 0.523 -3.100) 3.197 4.648 ( 3.723 2.845 6.952) 8.383 4.727 ( 1.898 -0.078 2.123) 2.848 4.775 ( -1.180 -5.515 1.923) 5.959 4.920 ( 0.990 -0.469 -2.962) 3.158 5.042 ( -2.683 1.997 1.099) 3.521 5.149 ( -0.606 -0.779 -9.663) 9.713 5.722 ( 0.554 -1.681 6.337) 6.579 5.894 ( 0.725 -2.577 -2.665) 3.777 6.422 ( 6.661 -2.034 0.858) 7.017 6.477 ( 1.665 -3.487 1.131) 4.026 6.552 ( 0.527 0.867 -4.304) 4.422 6.676 ( -2.228 -2.657 2.511) 4.281 6.756 ( -1.107 -2.463 -0.566) 2.759 6.919 ( -7.354 4.145 -4.207) 9.432 7.238 ( 0.477 -4.919 1.743) 5.240 7.298 ( -3.442 -5.315 0.792) 6.382 7.825 ( -3.869 2.665 10.869) 11.841 7.899 ( 4.310 2.675 -3.074) 5.932 7.975 ( 4.037 -1.113 -3.207) 5.274 8.243 ( -4.046 2.118 -1.383) 4.772 8.570 ( -4.235 0.500 10.036) 10.905 8.756 ( 3.857 0.121 -10.778) 11.448 9.465 ( -2.351 -1.313 10.896) 11.224 9.682 ( 3.020 -0.298 -9.632) 10.098 10.285 ( -0.063 -0.021 1.714) 1.716 10.382 ( -2.000 -0.741 -1.940) 2.883 10.499 ( 3.444 -2.513 2.279) 4.834 10.835 ( -6.649 -2.733 -2.776) 7.706 11.021 ( 14.703 0.413 2.031) 14.849 11.565 ( -0.989 8.324 -0.633) 8.406 11.763 ( 5.919 4.490 3.153) 8.071 12.103 ( -15.966 -3.268 -4.077) 16.800 14.375 ( -0.392 0.999 2.731) 2.934 14.443 ( 0.232 1.846 -2.132) 2.829 ======================= Grid point 225 (113/129) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -2.492 7.439 12.231) 14.531 1.514 ( -0.939 9.163 11.320) 14.594 1.632 ( 2.155 5.991 -8.103) 10.305 1.751 ( 0.906 4.611 -7.234) 8.626 2.603 ( 1.320 3.152 9.018) 9.643 2.662 ( -6.345 3.642 7.224) 10.282 2.891 ( 3.545 -6.445 2.301) 7.707 2.918 ( -1.094 -0.303 0.078) 1.138 3.004 ( 0.435 -3.637 -3.052) 4.768 3.040 ( 2.926 1.613 -4.999) 6.013 3.255 ( -1.125 -3.804 -0.331) 3.981 3.354 ( 2.336 2.526 -4.528) 5.687 3.592 ( 2.449 -1.182 6.622) 7.159 3.792 ( -0.263 -3.753 -5.799) 6.912 3.860 ( -2.403 -5.922 -0.242) 6.395 3.925 ( -0.852 -7.297 -4.427) 8.577 4.067 ( -0.602 2.335 3.105) 3.931 4.204 ( 3.769 1.549 -3.217) 5.192 4.314 ( -2.275 1.284 -0.679) 2.699 4.369 ( -0.682 -1.069 -4.448) 4.625 4.716 ( 1.429 1.726 6.023) 6.427 4.767 ( 1.145 0.125 3.463) 3.649 4.818 ( -1.360 -2.472 2.580) 3.823 4.901 ( 1.429 1.892 -6.873) 7.270 4.986 ( -2.344 -0.590 1.163) 2.682 5.115 ( 2.724 -0.034 -9.889) 10.257 5.779 ( -1.143 -2.032 8.505) 8.818 5.901 ( 0.183 -0.472 -2.581) 2.630 6.480 ( -3.843 -0.635 1.588) 4.206 6.523 ( 1.283 -1.819 -1.571) 2.724 6.632 ( 9.280 -3.120 1.733) 9.943 6.667 ( -7.117 -6.297 2.800) 9.907 6.696 ( -10.267 2.842 1.386) 10.743 6.830 ( 6.744 -1.657 -6.443) 9.473 7.309 ( 0.253 -5.126 1.449) 5.333 7.325 ( -0.362 -7.294 0.049) 7.303 7.762 ( -6.281 1.229 10.005) 11.877 7.935 ( 4.646 3.054 -3.915) 6.800 8.047 ( 4.862 1.057 0.566) 5.007 8.116 ( -5.402 4.126 -3.646) 7.714 8.548 ( -4.624 -0.285 10.231) 11.231 8.775 ( 4.942 -0.382 -10.699) 11.792 9.447 ( -8.828 -0.355 12.664) 15.442 9.696 ( 7.456 2.290 -10.833) 13.349 10.308 ( 0.877 -1.292 2.151) 2.658 10.353 ( -1.028 -1.258 -2.106) 2.660 10.650 ( 3.712 -5.845 3.380) 7.705 10.710 ( -6.042 -5.363 -2.481) 8.451 11.287 ( 10.181 1.975 5.698) 11.833 11.384 ( -9.908 3.486 -3.228) 10.989 11.731 ( -10.821 6.791 10.387) 16.465 12.003 ( 15.181 3.221 -15.294) 21.789 14.365 ( -0.661 1.986 2.586) 3.327 14.415 ( 0.307 2.247 -2.124) 3.107 ======================= Grid point 226 (114/129) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 3.263 4.183 11.145) 12.344 1.506 ( 1.816 8.124 13.525) 15.882 1.595 ( 6.319 5.069 -9.983) 12.856 1.698 ( 4.946 5.407 -10.859) 13.100 2.517 ( -9.055 3.421 6.740) 11.795 2.611 ( -3.774 1.463 7.684) 8.685 2.841 ( -7.611 -2.617 -0.506) 8.064 2.985 ( 1.499 0.927 -6.379) 6.617 3.041 ( 3.607 4.809 -5.415) 8.091 3.051 ( 1.318 -4.471 1.148) 4.800 3.302 ( 2.401 -6.600 0.325) 7.031 3.373 ( 2.762 -1.405 -1.423) 3.410 3.685 ( 2.713 -1.096 6.241) 6.893 3.757 ( -0.696 -4.094 -11.710) 12.425 3.891 ( -1.777 -4.359 1.766) 5.028 3.976 ( 1.336 0.204 -2.876) 3.178 4.029 ( -4.620 -4.320 2.872) 6.946 4.240 ( 2.577 1.177 -4.324) 5.169 4.265 ( -3.528 -0.159 2.023) 4.070 4.357 ( 0.462 -1.095 -0.021) 1.188 4.687 ( -3.727 2.639 2.622) 5.266 4.724 ( -4.060 2.985 -3.857) 6.346 4.859 ( 3.677 0.196 5.499) 6.619 4.923 ( 3.062 -1.619 -3.421) 4.868 4.981 ( -1.746 -1.701 1.512) 2.868 5.137 ( 5.889 1.079 -8.385) 10.303 5.815 ( -1.122 -1.338 6.538) 6.767 5.889 ( -0.685 -0.970 -2.926) 3.157 6.375 ( -10.400 1.395 4.917) 11.588 6.507 ( -5.689 -2.302 2.842) 6.763 6.562 ( 0.534 -0.173 -1.988) 2.066 6.667 ( -4.132 -6.115 4.451) 8.619 6.810 ( 6.026 -0.489 1.320) 6.188 6.920 ( 4.685 -1.514 -3.981) 6.332 7.382 ( 0.207 -7.836 -0.111) 7.839 7.400 ( 1.047 -5.690 1.272) 5.924 7.717 ( -3.898 -0.207 7.325) 8.300 7.940 ( -3.099 6.912 -5.724) 9.495 7.961 ( 0.540 0.936 -0.635) 1.254 8.124 ( 4.905 2.427 2.061) 5.847 8.526 ( -4.852 -0.065 10.625) 11.681 8.811 ( 5.055 -1.235 -11.086) 12.246 9.337 ( -9.453 1.540 10.902) 14.512 9.774 ( 9.468 2.483 -6.954) 12.006 10.338 ( -0.499 -1.739 -0.979) 2.057 10.366 ( 1.596 -1.835 1.167) 2.697 10.591 ( -7.978 -4.581 1.089) 9.264 10.827 ( 1.504 -4.126 3.326) 5.509 11.057 ( -18.709 0.763 -2.479) 18.888 11.448 ( 0.353 10.129 -3.342) 10.672 11.584 ( 4.475 -1.511 12.738) 13.586 12.243 ( 22.513 2.848 -15.825) 27.666 14.345 ( -0.726 2.328 2.532) 3.515 14.391 ( 0.770 2.214 -1.685) 2.886 ======================= Grid point 230 (115/129) ======================= q-point: (-0.62 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -6.711 -0.000 8.050) 10.481 1.689 ( 0.956 0.000 4.387) 4.490 1.712 ( 1.029 0.000 3.428) 3.579 1.876 ( -1.950 -0.000 -1.963) 2.767 2.383 ( 9.012 0.000 3.726) 9.752 2.599 ( 8.033 0.000 -2.033) 8.287 2.753 ( 1.628 0.000 -4.328) 4.625 2.766 ( 0.124 0.000 0.255) 0.283 2.844 ( 1.454 0.000 4.878) 5.090 2.956 ( -2.349 -0.000 3.654) 4.344 3.252 ( -0.364 -0.000 -5.217) 5.230 3.595 ( -6.555 -0.000 -1.822) 6.803 3.601 ( 0.599 0.000 2.323) 2.399 3.664 ( 0.309 0.000 -2.756) 2.774 3.812 ( 5.793 0.000 0.207) 5.797 3.989 ( -5.228 -0.000 -0.861) 5.299 4.108 ( -8.629 -0.000 0.905) 8.676 4.232 ( 3.729 0.000 -2.281) 4.371 4.397 ( 3.363 0.000 2.008) 3.917 4.417 ( -0.355 -0.000 -8.155) 8.163 4.604 ( 3.206 0.000 7.468) 8.127 4.646 ( 1.043 0.000 1.392) 1.739 4.742 ( 0.003 0.000 3.967) 3.967 4.892 ( 0.038 0.000 -5.380) 5.380 5.139 ( -3.301 -0.000 6.477) 7.270 5.147 ( 1.724 0.000 -11.831) 11.957 5.725 ( -2.397 -0.000 -2.609) 3.543 5.787 ( 1.805 0.000 -1.531) 2.367 6.330 ( 5.054 0.000 -2.163) 5.498 6.337 ( 3.479 0.000 2.340) 4.193 6.596 ( -1.900 -0.000 -5.722) 6.029 6.691 ( -6.233 -0.000 6.481) 8.992 6.754 ( 0.109 0.000 -2.001) 2.004 7.112 ( 0.233 0.000 -2.319) 2.330 7.196 ( -7.486 -0.000 2.981) 8.058 7.249 ( -2.397 -0.000 0.263) 2.411 7.804 ( 5.206 0.000 8.657) 10.102 7.865 ( 6.511 0.000 -10.753) 12.571 7.977 ( -5.809 -0.000 5.221) 7.810 8.312 ( -1.403 -0.000 1.272) 1.894 8.600 ( -3.417 -0.000 10.030) 10.596 8.766 ( 2.590 0.000 -11.328) 11.620 9.392 ( -1.039 -0.000 14.559) 14.596 9.673 ( 3.288 0.000 -14.829) 15.189 10.290 ( 0.066 0.000 0.503) 0.507 10.382 ( -1.336 -0.000 -0.339) 1.378 10.504 ( -4.044 -0.000 0.762) 4.115 10.675 ( 14.183 0.000 -0.058) 14.183 11.059 ( -9.756 -0.000 2.756) 10.138 11.467 ( 17.962 0.000 -1.285) 18.008 11.940 ( -1.241 -0.000 -10.397) 10.471 12.267 ( -19.436 -0.000 8.246) 21.113 14.365 ( 0.481 0.000 3.292) 3.327 14.477 ( 0.443 0.000 -1.511) 1.574 ======================= Grid point 232 (116/129) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -4.381 4.042 7.941) 9.929 1.707 ( 0.289 4.849 6.311) 7.964 1.755 ( 1.476 0.365 -0.170) 1.530 1.827 ( -2.163 -0.364 0.253) 2.208 2.557 ( 6.596 0.233 5.590) 8.650 2.697 ( 1.037 0.016 -0.945) 1.403 2.718 ( 4.238 0.677 -5.790) 7.207 2.820 ( 1.147 -7.688 -5.995) 9.816 2.928 ( 3.428 2.159 9.167) 10.022 2.973 ( -0.178 -2.478 7.981) 8.358 3.247 ( 2.160 0.432 -3.918) 4.494 3.446 ( -5.874 0.331 -6.388) 8.685 3.610 ( 2.792 4.553 2.735) 6.001 3.686 ( 1.395 -3.352 -3.075) 4.758 3.831 ( -7.840 4.312 0.422) 8.958 3.908 ( -2.575 -1.447 5.575) 6.309 4.033 ( 0.111 -3.165 -0.581) 3.220 4.258 ( 1.095 0.903 -1.383) 1.981 4.367 ( 0.675 0.793 -7.593) 7.664 4.441 ( 0.736 1.540 -2.711) 3.203 4.657 ( -0.602 -3.627 0.201) 3.682 4.695 ( 3.584 0.854 5.693) 6.781 4.736 ( -1.948 0.343 2.843) 3.463 4.898 ( 2.245 -1.127 -3.545) 4.345 5.085 ( -3.203 1.882 1.908) 4.177 5.127 ( 0.399 -1.334 -8.895) 9.003 5.709 ( 0.630 0.321 2.469) 2.569 5.823 ( 0.854 -3.264 -1.417) 3.659 6.405 ( 4.509 -0.119 -1.091) 4.640 6.420 ( 3.480 -1.828 1.081) 4.077 6.565 ( 1.496 0.381 -3.525) 3.848 6.624 ( -6.163 -1.827 5.165) 8.246 6.751 ( 2.421 0.783 -3.481) 4.312 6.989 ( -9.757 2.314 -3.024) 10.474 7.164 ( 0.326 -1.935 1.426) 2.426 7.219 ( -3.124 -2.602 0.825) 4.149 7.861 ( -6.540 0.903 10.978) 12.810 7.919 ( 5.609 -0.144 -8.523) 10.205 7.971 ( 4.651 0.377 4.232) 6.299 8.274 ( -2.722 0.934 -1.147) 3.098 8.581 ( -4.615 0.397 9.515) 10.583 8.760 ( 3.927 0.153 -11.019) 11.699 9.436 ( -3.666 -1.026 14.076) 14.582 9.677 ( 5.651 -0.155 -13.296) 14.448 10.296 ( 0.308 0.803 1.215) 1.489 10.364 ( -1.066 -0.966 -1.330) 1.959 10.470 ( 0.220 -0.527 1.479) 1.585 10.801 ( -9.448 -0.763 -2.644) 9.840 11.025 ( 15.608 0.026 2.211) 15.764 11.686 ( 7.281 3.273 -8.416) 11.599 11.871 ( -1.435 6.420 3.845) 7.620 12.005 ( -13.712 -6.239 2.774) 15.318 14.387 ( 0.179 0.272 3.025) 3.042 14.468 ( 0.040 0.631 -1.846) 1.951 ======================= Grid point 233 (117/129) ======================= q-point: (-0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -2.280 6.508 9.609) 11.827 1.676 ( 1.012 6.501 2.867) 7.176 1.735 ( 0.243 4.205 -1.209) 4.382 1.818 ( 0.812 1.882 -1.358) 2.459 2.619 ( -2.509 -0.404 5.685) 6.227 2.708 ( 0.985 -0.894 -0.057) 1.331 2.765 ( -0.706 -3.923 1.015) 4.113 2.859 ( -1.770 -5.632 -6.015) 8.428 2.985 ( 0.473 2.567 6.166) 6.696 3.060 ( 4.202 -0.248 8.037) 9.073 3.237 ( 0.977 1.283 -6.734) 6.924 3.366 ( 0.074 -1.723 -9.722) 9.874 3.650 ( 3.768 6.897 6.964) 10.500 3.729 ( -0.482 -3.771 -1.894) 4.247 3.741 ( 0.107 -3.878 2.183) 4.452 3.827 ( -5.490 -2.448 -2.992) 6.715 4.105 ( 2.423 0.748 3.685) 4.473 4.258 ( 3.688 3.092 -5.601) 7.385 4.331 ( -3.938 -0.358 -1.851) 4.366 4.363 ( -1.593 1.549 -3.990) 4.567 4.713 ( -1.085 -2.689 2.885) 4.090 4.742 ( 1.658 -4.117 0.695) 4.493 4.766 ( 1.816 0.585 5.494) 5.816 4.916 ( 1.839 0.015 -6.830) 7.073 5.007 ( -4.524 1.800 1.949) 5.245 5.118 ( 4.128 0.189 -8.634) 9.572 5.741 ( -1.053 -1.328 7.228) 7.424 5.852 ( -0.816 -3.844 -2.293) 4.550 6.451 ( -2.393 -2.576 1.694) 3.903 6.479 ( 1.535 -1.731 -0.221) 2.324 6.566 ( -5.017 -1.404 3.357) 6.197 6.614 ( 5.366 -0.815 -1.445) 5.617 6.759 ( -8.895 2.890 -0.130) 9.354 6.823 ( 6.067 0.413 -4.414) 7.514 7.207 ( -1.468 -4.214 1.363) 4.666 7.224 ( 1.728 -3.556 -0.274) 3.963 7.779 ( -7.991 0.496 10.635) 13.311 7.966 ( 4.393 0.398 -6.158) 7.574 8.074 ( 4.761 1.417 5.564) 7.459 8.187 ( -3.611 2.770 -4.510) 6.407 8.548 ( -4.956 0.098 9.932) 11.100 8.776 ( 5.009 0.285 -10.719) 11.835 9.431 ( -7.157 -0.956 13.688) 15.475 9.714 ( 6.912 -0.021 -12.677) 14.439 10.303 ( 0.775 0.573 1.714) 1.966 10.341 ( -0.758 -0.014 -1.921) 2.065 10.561 ( 5.238 -3.257 3.321) 7.005 10.626 ( -7.927 -3.012 -2.835) 8.941 11.322 ( 12.257 1.391 6.979) 14.173 11.445 ( -18.085 2.354 -3.802) 18.629 11.854 ( -2.841 5.452 5.191) 8.047 12.025 ( 12.764 -0.761 -10.539) 16.570 14.396 ( -0.198 1.084 2.810) 3.019 14.449 ( 0.055 1.126 -2.072) 2.359 ======================= Grid point 234 (118/129) ======================= q-point: (-0.25 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 1.023 6.339 9.196) 11.216 1.666 ( 0.204 7.246 8.168) 10.920 1.694 ( 4.771 4.184 -7.102) 9.524 1.796 ( 2.922 4.286 -5.686) 7.696 2.549 ( -9.302 0.182 3.355) 9.890 2.658 ( -4.275 2.519 4.488) 6.691 2.784 ( -6.219 -3.053 -1.746) 7.144 2.889 ( 2.217 -9.763 3.003) 10.452 2.995 ( 0.545 -0.153 -3.745) 3.788 3.159 ( 5.568 5.513 -5.473) 9.558 3.221 ( 0.536 -3.110 5.095) 5.993 3.331 ( -0.740 -1.654 -7.202) 7.426 3.670 ( -2.677 -3.518 -5.276) 6.883 3.700 ( 0.406 1.479 2.973) 3.345 3.830 ( 3.972 -0.298 7.314) 8.328 3.875 ( 4.537 -4.899 -2.238) 7.043 4.087 ( -2.582 4.934 -0.391) 5.582 4.225 ( -2.847 -1.761 -6.078) 6.939 4.284 ( 2.441 0.766 0.760) 2.669 4.354 ( 0.420 0.892 0.391) 1.061 4.715 ( -2.177 -0.638 2.126) 3.109 4.770 ( -3.058 1.246 0.427) 3.330 4.823 ( 2.238 -2.776 -0.142) 3.568 4.893 ( 0.862 -0.691 -4.534) 4.667 4.962 ( -1.270 -0.229 2.988) 3.255 5.168 ( 7.435 1.795 -7.455) 10.681 5.775 ( -2.009 -2.604 8.302) 8.930 5.837 ( -3.577 -3.937 -3.513) 6.375 6.420 ( -10.142 2.321 3.955) 11.131 6.431 ( -3.700 -3.926 1.445) 5.585 6.504 ( -4.574 -4.097 1.975) 6.450 6.651 ( 1.307 2.796 -0.154) 3.090 6.769 ( 8.194 -3.710 1.833) 9.179 6.912 ( 5.478 1.388 -3.482) 6.637 7.251 ( 0.674 -5.330 0.334) 5.383 7.301 ( 2.115 -4.278 0.408) 4.790 7.710 ( -6.679 -0.541 10.778) 12.691 7.981 ( -0.797 1.079 -1.282) 1.855 8.059 ( -1.135 4.847 -8.484) 9.837 8.166 ( 4.446 1.634 4.370) 6.445 8.523 ( -4.457 -0.202 10.715) 11.607 8.803 ( 5.151 0.244 -10.965) 12.118 9.364 ( -8.461 1.062 12.604) 15.218 9.778 ( 6.885 -1.732 -10.908) 13.015 10.317 ( -0.246 -0.283 -0.759) 0.847 10.344 ( 2.151 -0.325 1.004) 2.396 10.521 ( -4.752 -2.439 0.126) 5.343 10.748 ( 5.057 -3.494 4.397) 7.557 11.071 ( -18.150 0.453 -2.469) 18.323 11.502 ( 3.967 -1.134 8.076) 9.068 11.719 ( -4.378 11.110 -0.116) 11.942 12.263 ( 20.379 -0.970 -13.707) 24.579 14.390 ( -0.501 2.002 2.740) 3.430 14.428 ( 0.319 1.377 -2.073) 2.509 ======================= Grid point 235 (119/129) ======================= q-point: (-0.12 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 3.433 2.982 7.904) 9.119 1.634 ( 1.448 3.207 0.026) 3.519 1.728 ( 4.892 6.248 1.845) 8.147 1.790 ( 6.761 3.594 -10.895) 13.317 2.389 ( -8.834 0.526 2.858) 9.300 2.598 ( -3.955 2.159 4.813) 6.593 2.682 ( -6.844 -2.236 0.022) 7.201 2.935 ( -2.600 -0.001 -6.620) 7.112 3.030 ( 0.350 -6.683 1.164) 6.792 3.123 ( 1.546 6.751 -5.350) 8.751 3.323 ( 1.142 -3.751 -3.116) 5.009 3.336 ( 3.776 -6.006 0.833) 7.143 3.628 ( -2.230 -4.496 -3.040) 5.868 3.742 ( 0.899 -2.092 0.887) 2.444 3.912 ( 0.999 1.895 4.373) 4.869 3.937 ( -2.911 -0.151 2.586) 3.897 4.001 ( 1.166 1.143 -1.464) 2.193 4.185 ( 0.240 -0.242 -3.730) 3.746 4.332 ( 0.776 4.626 -0.297) 4.700 4.352 ( 2.636 -2.246 1.349) 3.717 4.644 ( -4.450 3.428 -4.009) 6.901 4.701 ( -0.138 1.973 -0.754) 2.116 4.877 ( 0.112 -3.863 -1.597) 4.182 4.925 ( 0.611 -1.780 0.133) 1.886 4.959 ( -1.667 -0.702 5.391) 5.686 5.234 ( 7.084 2.513 -7.690) 10.753 5.762 ( -5.585 -3.122 -1.530) 6.579 5.839 ( -0.024 -3.766 5.927) 7.022 6.266 ( -7.130 1.334 4.895) 8.751 6.442 ( -3.718 -4.723 3.025) 6.729 6.483 ( -1.561 -2.126 4.465) 5.186 6.673 ( 3.102 1.285 -0.462) 3.389 6.916 ( 3.424 3.027 2.352) 5.140 6.955 ( 3.780 -2.341 -2.891) 5.304 7.317 ( 0.410 -5.245 -1.259) 5.409 7.383 ( 1.724 -4.771 2.053) 5.473 7.680 ( -4.177 -1.296 6.301) 7.670 7.861 ( -6.306 2.542 -1.586) 6.982 8.022 ( 3.162 3.234 -4.774) 6.576 8.237 ( 3.351 2.025 3.739) 5.414 8.514 ( -3.683 0.275 11.476) 12.056 8.824 ( 4.460 -0.228 -11.454) 12.293 9.283 ( -6.294 2.227 11.819) 13.574 9.850 ( 4.105 -4.081 -9.759) 11.347 10.311 ( -0.511 -0.868 -1.002) 1.421 10.399 ( 2.129 -0.112 1.639) 2.689 10.496 ( -0.427 -0.708 0.933) 1.247 10.701 ( -12.171 -2.196 -0.102) 12.368 10.889 ( -3.540 3.867 3.771) 6.458 11.504 ( -4.751 13.933 -2.003) 14.856 11.682 ( 6.495 -11.637 5.012) 14.238 12.529 ( 17.913 1.333 -12.397) 21.825 14.372 ( -0.638 2.523 2.787) 3.813 14.412 ( 0.731 1.188 -1.915) 2.369 ======================= Grid point 240 (120/129) ======================= q-point: ( 0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -1.314 0.000 7.648) 7.760 1.734 ( 0.283 0.000 -3.993) 4.003 1.801 ( -1.942 0.000 3.739) 4.213 1.821 ( 2.930 -0.000 3.766) 4.772 2.605 ( -3.412 0.000 6.860) 7.662 2.682 ( -1.867 -0.000 0.246) 1.884 2.759 ( 1.425 0.000 -5.993) 6.160 2.770 ( 1.859 0.000 -6.098) 6.375 3.024 ( -2.201 0.000 8.859) 9.128 3.053 ( 4.567 -0.000 11.943) 12.786 3.259 ( 1.915 0.000 -9.110) 9.309 3.334 ( 0.063 0.000 -9.511) 9.511 3.674 ( -3.510 0.000 1.995) 4.037 3.713 ( 4.699 -0.000 -0.809) 4.768 3.776 ( 2.489 -0.000 1.808) 3.077 3.781 ( -6.038 0.000 -1.287) 6.174 4.104 ( 2.800 0.000 8.189) 8.655 4.293 ( 0.950 0.000 -6.756) 6.822 4.323 ( -0.398 0.000 -0.165) 0.431 4.393 ( -4.188 0.000 -5.084) 6.587 4.678 ( 4.369 0.000 0.482) 4.395 4.685 ( -3.178 -0.000 -0.272) 3.189 4.776 ( 1.653 0.000 5.702) 5.936 4.915 ( 1.940 0.000 -5.834) 6.149 5.028 ( -4.814 0.000 2.007) 5.216 5.120 ( 4.762 0.000 -7.767) 9.111 5.734 ( -0.675 0.000 4.709) 4.757 5.798 ( -1.461 0.000 -0.427) 1.522 6.420 ( -2.273 0.000 2.026) 3.045 6.458 ( 0.081 0.000 -1.038) 1.041 6.564 ( -2.048 0.000 2.174) 2.986 6.605 ( 4.274 0.000 -1.577) 4.556 6.794 ( -10.967 -0.000 -0.211) 10.969 6.827 ( 7.697 0.000 -2.515) 8.097 7.165 ( -1.970 0.000 1.081) 2.247 7.184 ( 2.433 -0.000 -0.680) 2.526 7.784 ( -8.524 0.000 10.652) 13.643 7.967 ( 4.731 -0.000 -6.431) 7.984 8.090 ( 4.366 0.000 6.986) 8.238 8.215 ( -3.045 0.000 -4.697) 5.598 8.549 ( -5.252 0.000 9.845) 11.158 8.780 ( 5.151 0.000 -10.844) 12.005 9.420 ( -6.238 0.000 13.790) 15.136 9.712 ( 6.345 0.000 -13.263) 14.703 10.313 ( 0.368 0.000 1.234) 1.287 10.343 ( -0.079 -0.000 -1.652) 1.654 10.527 ( 5.879 0.000 3.460) 6.821 10.596 ( -8.944 0.000 -3.014) 9.438 11.337 ( 13.552 0.000 7.526) 15.501 11.469 ( -22.556 0.000 -3.892) 22.890 11.923 ( 4.125 0.000 0.282) 4.135 12.001 ( 8.825 -0.000 -5.859) 10.592 14.407 ( 0.030 0.000 2.876) 2.876 14.460 ( -0.078 0.000 -2.015) 2.017 ======================= Grid point 242 (121/129) ======================= q-point: (-0.38 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.193 4.384 7.523) 8.710 1.733 ( 1.160 0.226 -3.500) 3.694 1.769 ( -0.191 2.457 2.068) 3.217 1.866 ( 2.537 2.494 -0.722) 3.630 2.563 ( -5.274 1.830 4.713) 7.306 2.666 ( -6.514 -3.976 0.622) 7.657 2.713 ( -0.095 -1.557 1.078) 1.896 2.749 ( -3.080 -2.771 -4.052) 5.795 2.998 ( -1.249 0.277 0.663) 1.442 3.159 ( -2.763 -2.125 -0.291) 3.498 3.237 ( 4.903 2.199 0.391) 5.387 3.313 ( 0.074 -0.738 -6.879) 6.919 3.623 ( -1.125 -1.367 -0.291) 1.794 3.701 ( -2.179 -0.414 -1.121) 2.485 3.826 ( 6.738 -0.604 -0.040) 6.765 3.900 ( 9.579 4.557 4.668) 11.589 4.159 ( -3.853 1.634 -2.510) 4.880 4.191 ( -2.279 -1.777 1.194) 3.127 4.290 ( -3.130 0.775 -3.318) 4.627 4.383 ( 3.733 1.228 1.789) 4.317 4.666 ( -0.304 -2.816 -0.687) 2.915 4.746 ( 1.015 -1.617 -0.850) 2.090 4.814 ( -0.175 0.421 4.295) 4.319 4.897 ( 1.510 0.554 -8.472) 8.623 4.962 ( -3.454 0.081 3.035) 4.599 5.195 ( 8.035 0.744 -6.098) 10.114 5.734 ( -2.885 -0.889 6.270) 6.959 5.760 ( -4.338 -3.018 -1.156) 5.409 6.369 ( -5.151 -1.486 1.389) 5.538 6.425 ( -4.703 -1.702 1.918) 5.357 6.489 ( -6.629 1.583 3.260) 7.555 6.697 ( 5.721 -0.543 -2.353) 6.210 6.710 ( 2.654 0.157 0.053) 2.659 6.947 ( 6.017 1.393 0.759) 6.223 7.177 ( 2.065 -2.024 0.185) 2.897 7.235 ( 2.574 -2.073 -0.549) 3.350 7.699 ( -8.422 -0.365 11.641) 14.373 7.997 ( 0.493 0.457 -1.728) 1.854 8.125 ( -1.002 1.755 -9.643) 9.852 8.188 ( 3.272 0.602 6.321) 7.143 8.520 ( -4.611 -0.134 10.917) 11.852 8.811 ( 5.335 0.331 -10.910) 12.149 9.378 ( -7.014 0.400 13.604) 15.311 9.738 ( 4.376 -1.459 -13.191) 13.974 10.323 ( -0.282 0.708 -0.794) 1.101 10.339 ( 1.092 -0.588 0.493) 1.335 10.495 ( -2.014 -0.390 -0.947) 2.259 10.699 ( 8.251 -1.332 6.178) 10.393 11.076 ( -18.938 0.104 -2.505) 19.103 11.484 ( -2.180 -0.520 10.152) 10.396 11.909 ( -0.660 6.655 -3.617) 7.604 12.215 ( 19.456 -2.869 -11.836) 22.953 14.418 ( -0.197 0.741 2.800) 2.903 14.445 ( -0.043 0.395 -2.279) 2.313 ======================= Grid point 243 (122/129) ======================= q-point: (-0.25 0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.253 3.782 6.436) 7.469 1.679 ( -3.304 1.256 1.131) 3.711 1.822 ( 7.031 1.521 -5.923) 9.319 1.866 ( 2.989 4.869 -1.817) 5.995 2.422 ( -7.973 2.958 0.530) 8.520 2.601 ( -3.791 -1.174 4.078) 5.690 2.659 ( -4.655 -0.631 -3.604) 5.921 2.823 ( -0.622 -10.058 3.768) 10.759 2.962 ( -1.357 1.060 -5.893) 6.139 3.123 ( -0.569 -6.431 -5.984) 8.803 3.254 ( -0.825 0.217 -3.709) 3.805 3.348 ( 3.079 2.104 8.819) 9.575 3.614 ( -0.673 2.218 -1.222) 2.621 3.697 ( 1.697 -2.082 -1.965) 3.328 3.924 ( 3.168 1.279 -0.693) 3.486 3.987 ( -4.272 1.171 -1.603) 4.711 4.018 ( 1.651 2.761 1.977) 3.776 4.223 ( 2.769 3.303 1.498) 4.563 4.279 ( 1.280 -4.271 0.501) 4.487 4.418 ( 2.932 3.089 -1.574) 4.540 4.685 ( -1.768 -0.467 -0.548) 1.909 4.724 ( -1.256 0.217 -3.449) 3.676 4.811 ( 0.145 -1.152 -2.059) 2.364 4.894 ( 1.117 -0.832 -0.542) 1.494 4.947 ( -2.470 -0.846 4.365) 5.086 5.279 ( 6.927 1.794 -7.914) 10.669 5.702 ( -4.661 -2.695 -0.277) 5.391 5.754 ( -1.358 -4.069 7.248) 8.422 6.286 ( -6.053 0.335 1.739) 6.307 6.366 ( -4.587 -2.538 3.430) 6.265 6.451 ( -1.021 -0.770 6.264) 6.393 6.723 ( 3.442 2.830 -2.057) 4.907 6.857 ( 7.258 -5.130 -2.259) 9.171 6.993 ( 1.943 3.164 2.276) 4.355 7.247 ( 2.814 -1.635 -1.103) 3.436 7.306 ( 2.407 -3.268 1.196) 4.231 7.642 ( -6.708 -2.033 11.236) 13.243 7.905 ( -7.406 1.815 -2.328) 7.972 8.090 ( 4.080 3.020 -7.657) 9.186 8.261 ( 2.476 0.437 4.538) 5.188 8.515 ( -3.392 -0.115 11.775) 12.254 8.830 ( 4.484 0.580 -11.368) 12.234 9.328 ( -5.791 2.122 13.507) 14.849 9.750 ( 1.342 -4.875 -12.238) 13.242 10.303 ( -0.623 -0.068 -0.845) 1.052 10.384 ( 2.089 -1.299 1.296) 2.781 10.502 ( 2.379 0.825 0.354) 2.543 10.669 ( -13.125 -0.944 1.212) 13.214 10.975 ( 3.973 4.547 4.052) 7.272 11.482 ( -3.451 -8.296 5.300) 10.432 11.755 ( -4.558 10.498 -2.969) 11.823 12.521 ( 19.721 -1.632 -12.293) 23.296 14.415 ( -0.488 1.615 2.687) 3.173 14.427 ( -0.004 0.392 -2.435) 2.466 ======================= Grid point 244 (123/129) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -4.317 -0.038 6.973) 8.202 1.640 ( -2.342 -1.120 0.172) 2.602 1.853 ( 2.108 5.426 -0.737) 5.867 1.875 ( 6.525 2.569 -10.978) 13.027 2.313 ( -2.110 1.611 1.375) 2.990 2.576 ( -2.217 0.496 -4.323) 4.884 2.597 ( -1.556 -0.574 7.895) 8.067 2.860 ( -1.717 -1.103 -2.190) 2.994 2.941 ( -1.392 -6.852 -2.783) 7.525 3.144 ( -0.830 -2.333 -3.204) 4.049 3.248 ( 0.128 -1.684 -2.651) 3.143 3.386 ( 0.939 1.689 1.304) 2.331 3.598 ( 0.149 -0.070 4.846) 4.849 3.750 ( 2.944 -2.057 -0.762) 3.671 3.819 ( -6.149 0.278 -2.990) 6.843 3.988 ( -0.508 1.835 3.613) 4.084 4.016 ( -0.220 -0.194 -0.824) 0.875 4.243 ( 3.649 3.735 -1.214) 5.361 4.370 ( 4.360 0.669 1.825) 4.774 4.433 ( 3.997 1.588 -2.947) 5.213 4.575 ( -4.178 3.121 -6.029) 7.971 4.718 ( 0.214 0.370 -1.365) 1.430 4.827 ( -1.470 -2.079 1.202) 2.816 4.883 ( -1.037 -1.922 -4.907) 5.371 4.972 ( -0.241 -1.515 8.857) 8.989 5.305 ( 3.575 1.434 -8.526) 9.355 5.660 ( -2.573 -0.867 1.717) 3.212 5.849 ( 2.122 -4.783 6.199) 8.112 6.210 ( -2.767 1.154 2.142) 3.685 6.332 ( -4.169 -2.459 0.992) 4.941 6.530 ( 2.883 -2.637 9.358) 10.141 6.741 ( 3.130 2.366 -2.168) 4.483 6.945 ( -0.228 -0.695 -3.478) 3.554 7.029 ( 3.762 1.893 3.966) 5.785 7.279 ( 0.057 -1.711 -1.948) 2.593 7.382 ( 1.391 -3.226 1.575) 3.851 7.613 ( -5.054 -1.734 4.526) 7.002 7.773 ( -4.372 -0.885 1.103) 4.595 8.080 ( 2.546 4.040 -4.806) 6.775 8.308 ( 1.233 0.637 2.921) 3.234 8.528 ( -2.737 0.352 12.394) 12.697 8.829 ( 3.302 0.253 -11.831) 12.286 9.295 ( -3.127 3.084 13.070) 13.789 9.742 ( -1.800 -6.796 -11.065) 13.110 10.298 ( 0.081 -0.346 -0.098) 0.369 10.416 ( -1.838 0.600 0.071) 1.935 10.494 ( -1.920 -1.976 2.802) 3.930 10.596 ( 3.276 -1.309 -1.140) 3.708 10.903 ( -4.874 8.240 2.910) 10.006 11.535 ( -5.099 7.949 -4.367) 10.404 11.652 ( 3.356 -10.383 6.874) 12.897 12.744 ( 12.850 1.385 -11.028) 16.990 14.397 ( -1.057 2.129 2.401) 3.378 14.416 ( 0.546 -0.140 -2.208) 2.278 ======================= Grid point 250 (124/129) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -2.220 -0.000 5.655) 6.075 1.690 ( -5.428 -0.000 2.609) 6.023 1.827 ( 6.916 0.000 -5.165) 8.632 1.924 ( 3.705 0.000 -3.079) 4.817 2.477 ( -8.307 -0.000 -3.919) 9.185 2.577 ( -1.139 -0.000 6.365) 6.466 2.651 ( -4.301 -0.000 -3.899) 5.805 2.700 ( -1.487 -0.000 4.680) 4.910 2.997 ( 0.892 0.000 -0.726) 1.150 3.024 ( -4.505 -0.000 -10.077) 11.038 3.257 ( -1.513 -0.000 -4.086) 4.357 3.371 ( 3.123 0.000 13.255) 13.618 3.651 ( 4.024 0.000 -1.226) 4.207 3.668 ( -0.515 -0.000 -4.793) 4.820 3.945 ( 5.470 0.000 2.636) 6.072 3.978 ( -8.655 -0.000 -8.553) 12.168 4.119 ( 10.681 0.000 0.796) 10.711 4.161 ( -6.874 -0.000 5.305) 8.683 4.290 ( 3.568 0.000 2.643) 4.441 4.447 ( 2.592 0.000 -2.737) 3.770 4.663 ( 1.466 0.000 -0.730) 1.637 4.713 ( -1.629 -0.000 -3.982) 4.303 4.819 ( -1.454 -0.000 2.018) 2.487 4.895 ( 1.788 0.000 -8.628) 8.811 4.930 ( -2.797 -0.000 7.690) 8.183 5.297 ( 6.715 0.000 -8.268) 10.651 5.672 ( -2.172 -0.000 2.116) 3.032 5.709 ( -3.338 -0.000 5.856) 6.740 6.286 ( -4.515 -0.000 1.880) 4.891 6.341 ( -4.914 -0.000 2.309) 5.430 6.448 ( -2.103 -0.000 7.174) 7.476 6.756 ( 3.205 0.000 -2.203) 3.889 6.797 ( 7.144 0.000 -3.408) 7.915 7.028 ( 1.701 0.000 4.032) 4.376 7.248 ( 6.409 0.000 -1.028) 6.491 7.256 ( 1.311 0.000 -0.198) 1.326 7.619 ( -8.192 -0.000 12.598) 15.027 7.924 ( -7.533 -0.000 -2.306) 7.878 8.123 ( 4.962 0.000 -9.062) 10.331 8.263 ( 1.523 0.000 5.489) 5.696 8.513 ( -3.296 -0.000 11.953) 12.399 8.838 ( 4.451 0.000 -11.232) 12.082 9.352 ( -5.295 -0.000 14.905) 15.818 9.696 ( 0.514 0.000 -13.705) 13.714 10.303 ( -1.081 -0.000 -0.692) 1.284 10.367 ( 1.956 0.000 1.091) 2.239 10.511 ( 3.215 0.000 -0.265) 3.226 10.661 ( -14.164 -0.000 1.650) 14.260 11.034 ( 12.270 0.000 4.199) 12.969 11.387 ( -11.776 -0.000 5.655) 13.064 11.870 ( -5.151 -0.000 -3.162) 6.044 12.497 ( 21.216 0.000 -12.416) 24.582 14.430 ( -0.238 -0.000 -2.737) 2.747 14.432 ( -0.449 -0.000 2.714) 2.751 ======================= Grid point 251 (125/129) ======================= q-point: (-0.25 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -7.483 -0.058 6.119) 9.666 1.620 ( -6.320 -0.714 4.425) 7.748 1.912 ( 6.859 1.024 -8.686) 11.115 1.944 ( 2.458 2.934 -5.539) 6.733 2.355 ( -1.385 1.834 -3.181) 3.925 2.561 ( -3.165 -0.945 -5.082) 6.061 2.605 ( 0.953 1.364 6.589) 6.796 2.742 ( -0.572 -6.568 4.700) 8.097 2.915 ( -1.371 1.532 -6.313) 6.639 3.026 ( -1.641 -5.353 -1.852) 5.897 3.244 ( 1.325 -0.009 1.063) 1.699 3.475 ( 2.796 4.184 7.780) 9.266 3.611 ( -2.117 1.124 0.766) 2.516 3.694 ( -0.933 -3.497 -2.747) 4.544 3.838 ( -1.370 0.813 -6.362) 6.559 4.014 ( 2.392 1.760 1.075) 3.158 4.045 ( -6.096 1.804 3.733) 7.372 4.291 ( 6.417 -0.503 -1.346) 6.576 4.372 ( 5.570 1.627 3.098) 6.578 4.457 ( 2.024 -0.075 -5.719) 6.067 4.627 ( -3.546 2.385 -4.939) 6.531 4.688 ( -0.864 -2.895 -3.696) 4.774 4.807 ( -0.348 0.212 3.144) 3.170 4.859 ( -0.830 -0.746 -7.581) 7.662 4.953 ( -0.656 -0.399 9.720) 9.750 5.322 ( 2.838 0.363 -9.201) 9.636 5.673 ( -1.007 1.947 4.128) 4.674 5.752 ( 3.231 -4.301 5.811) 7.918 6.235 ( -2.142 0.971 1.931) 3.043 6.293 ( -2.755 -1.355 1.720) 3.519 6.494 ( 1.458 -0.793 10.006) 10.143 6.783 ( 2.584 1.412 -2.894) 4.129 6.887 ( 3.322 -2.823 -4.739) 6.439 7.078 ( 3.237 1.878 3.510) 5.131 7.266 ( 0.168 -0.153 -0.080) 0.241 7.340 ( 3.258 -0.781 -0.537) 3.393 7.569 ( -6.453 -1.936 11.641) 13.450 7.770 ( -7.039 0.204 -2.468) 7.462 8.151 ( 3.869 2.420 -6.307) 7.785 8.305 ( 0.358 -0.610 3.441) 3.513 8.533 ( -2.342 0.105 12.478) 12.696 8.837 ( 2.942 0.321 -11.703) 12.072 9.356 ( -2.785 2.416 16.008) 16.427 9.628 ( -1.837 -3.826 -12.151) 12.871 10.292 ( -0.142 -0.188 0.189) 0.303 10.410 ( 1.374 -0.732 0.127) 1.562 10.471 ( -7.089 -0.312 1.465) 7.246 10.575 ( 3.032 -0.638 0.628) 3.161 11.097 ( -5.538 10.866 0.642) 12.213 11.353 ( 2.472 -12.478 -1.633) 12.825 11.749 ( -4.711 5.355 6.475) 9.632 12.751 ( 15.635 -0.181 -13.437) 20.616 14.410 ( -0.280 -0.197 -3.030) 3.049 14.429 ( -1.056 0.819 2.406) 2.752 ======================= Grid point 252 (126/129) ======================= q-point: (-0.12 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -8.560 -2.468 9.440) 12.980 1.539 ( -8.248 -2.981 7.095) 11.281 1.891 ( -0.113 3.424 -7.614) 8.349 1.929 ( 2.878 1.958 -9.191) 9.828 2.346 ( 2.772 2.474 -1.337) 3.949 2.530 ( 1.377 -1.964 -5.541) 6.038 2.659 ( 2.302 1.529 7.717) 8.197 2.843 ( -1.542 1.927 -2.169) 3.285 2.853 ( 1.716 -7.418 0.680) 7.644 3.024 ( -3.693 -6.557 -1.901) 7.762 3.285 ( 2.443 2.356 1.931) 3.905 3.426 ( -1.444 6.194 1.775) 6.603 3.625 ( -0.457 -0.095 2.676) 2.717 3.720 ( 0.551 -4.654 2.352) 5.244 3.811 ( 2.670 3.007 -1.458) 4.278 3.980 ( -1.565 -0.403 0.404) 1.665 4.022 ( 0.098 1.714 0.941) 1.958 4.326 ( 3.579 3.491 -5.937) 7.762 4.449 ( -0.233 -0.070 -3.347) 3.356 4.476 ( 4.048 -0.886 -2.898) 5.056 4.496 ( -4.302 2.794 -3.574) 6.252 4.670 ( -1.324 -2.256 -3.781) 4.597 4.824 ( -0.763 0.363 3.639) 3.736 4.842 ( 2.157 -1.536 -3.204) 4.156 5.002 ( -0.421 -1.216 7.793) 7.899 5.307 ( 1.578 0.521 -8.495) 8.656 5.662 ( -0.304 1.720 3.328) 3.758 5.886 ( 2.995 -3.442 4.817) 6.635 6.217 ( 0.700 1.711 1.076) 2.139 6.294 ( 1.406 -0.187 1.170) 1.839 6.606 ( 2.402 -2.270 10.127) 10.652 6.792 ( 2.193 1.405 -3.211) 4.135 6.890 ( -2.268 -1.337 -4.525) 5.236 7.117 ( 1.118 2.594 1.612) 3.252 7.260 ( -0.429 0.617 -0.761) 1.069 7.376 ( 0.440 -1.744 0.215) 1.811 7.550 ( -3.009 -2.115 7.001) 7.909 7.720 ( -0.605 -2.654 2.419) 3.642 8.132 ( 1.532 4.288 -5.240) 6.942 8.323 ( -0.688 -0.836 1.464) 1.821 8.558 ( -2.448 0.665 12.700) 12.950 8.810 ( 1.873 0.007 -12.047) 12.191 9.377 ( -0.047 4.289 11.979) 12.723 9.599 ( -0.862 -5.748 -5.528) 8.022 10.299 ( 0.039 -0.195 0.649) 0.679 10.375 ( -1.654 -0.103 0.364) 1.697 10.494 ( 2.555 -2.673 1.206) 3.889 10.600 ( -3.798 -1.200 2.629) 4.773 10.915 ( -0.754 5.971 -5.170) 7.934 11.399 ( -3.896 -6.213 -9.743) 12.194 11.749 ( 0.836 4.196 17.833) 18.339 12.858 ( 6.058 1.851 -14.286) 15.627 14.395 ( -0.323 -0.277 -1.736) 1.787 14.409 ( -1.228 0.384 0.880) 1.559 ======================= Grid point 259 (127/129) ======================= q-point: (-0.25 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -9.575 -0.000 9.362) 13.391 1.505 ( -10.000 -0.000 9.490) 13.786 1.931 ( -0.459 -0.000 -9.868) 9.879 1.949 ( 1.957 0.000 -8.880) 9.093 2.378 ( 4.423 0.000 -3.374) 5.563 2.499 ( 0.762 0.000 -6.069) 6.117 2.702 ( 4.460 0.000 3.889) 5.917 2.743 ( 0.200 0.000 7.611) 7.613 2.881 ( -0.869 -0.000 -4.262) 4.350 2.937 ( -3.712 -0.000 -0.535) 3.750 3.303 ( 2.482 0.000 5.667) 6.187 3.559 ( -2.392 -0.000 -3.701) 4.407 3.589 ( -0.267 -0.000 -0.821) 0.864 3.638 ( 3.630 0.000 9.224) 9.912 3.864 ( 3.335 0.000 -3.497) 4.832 3.970 ( -3.491 -0.000 1.652) 3.862 4.051 ( -0.065 -0.000 1.665) 1.667 4.365 ( 1.418 0.000 -6.334) 6.491 4.439 ( 0.395 0.000 -2.530) 2.560 4.458 ( 4.085 0.000 -5.883) 7.162 4.547 ( -5.854 -0.000 -2.591) 6.402 4.628 ( 0.528 0.000 -3.710) 3.747 4.825 ( 2.241 0.000 -6.204) 6.596 4.828 ( 0.072 0.000 5.167) 5.168 4.991 ( -0.996 -0.000 8.804) 8.860 5.312 ( 1.671 0.000 -8.993) 9.147 5.689 ( -0.920 -0.000 5.079) 5.162 5.842 ( 4.493 0.000 4.126) 6.100 6.250 ( 2.070 0.000 0.990) 2.294 6.280 ( 1.590 0.000 2.008) 2.561 6.582 ( 2.093 0.000 11.181) 11.375 6.810 ( 1.809 0.000 -3.248) 3.718 6.867 ( -0.875 -0.000 -5.902) 5.967 7.149 ( 1.976 0.000 -2.125) 2.901 7.264 ( -0.583 -0.000 3.101) 3.155 7.358 ( 0.538 0.000 -1.479) 1.574 7.527 ( -4.808 -0.000 12.271) 13.179 7.692 ( -0.329 -0.000 -0.099) 0.344 8.184 ( 2.013 0.000 -6.188) 6.507 8.307 ( -1.175 -0.000 1.983) 2.306 8.566 ( -2.027 -0.000 12.575) 12.738 8.810 ( 1.505 0.000 -12.063) 12.156 9.453 ( 0.933 0.000 19.884) 19.906 9.509 ( -1.592 -0.000 -11.471) 11.581 10.297 ( 0.391 0.000 1.047) 1.117 10.374 ( -2.221 -0.000 0.047) 2.222 10.463 ( 2.542 0.000 0.894) 2.695 10.587 ( -3.718 -0.000 3.202) 4.907 10.996 ( -4.878 -0.000 -7.009) 8.540 11.302 ( -0.750 -0.000 -9.515) 9.544 11.813 ( -0.211 -0.000 20.157) 20.158 12.874 ( 7.736 0.000 -16.950) 18.631 14.386 ( -0.226 -0.000 -3.240) 3.248 14.418 ( -2.022 -0.000 1.810) 2.714 ======================= Grid point 260 (128/129) ======================= q-point: (-0.12 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -10.292 -1.887 13.296) 16.919 1.411 ( -9.760 -2.712 14.090) 17.353 1.842 ( -2.460 1.352 -9.894) 10.284 1.894 ( -2.703 -0.509 -7.721) 8.197 2.421 ( 2.083 3.505 0.089) 4.078 2.525 ( 3.821 -3.321 -5.721) 7.640 2.724 ( -3.879 0.416 6.945) 7.966 2.796 ( 1.171 -2.212 -3.343) 4.176 2.851 ( 2.257 1.246 0.960) 2.750 2.972 ( 4.307 -4.131 0.765) 6.017 3.362 ( 0.695 1.451 6.978) 7.161 3.477 ( -0.739 5.903 -0.573) 5.977 3.646 ( 4.288 -0.801 -0.322) 4.374 3.762 ( 3.725 -1.030 5.622) 6.822 3.878 ( 2.083 2.283 -0.348) 3.110 3.969 ( 1.852 -1.488 -0.710) 2.479 4.037 ( -1.150 1.846 1.220) 2.493 4.294 ( -2.972 -1.951 -11.694) 12.223 4.382 ( -1.009 0.779 -8.429) 8.525 4.454 ( -2.231 1.154 -0.747) 2.621 4.499 ( 1.598 0.024 -2.587) 3.041 4.644 ( 0.958 -1.443 -0.812) 1.913 4.850 ( 1.743 0.992 1.780) 2.681 4.872 ( 2.477 -0.762 0.722) 2.690 5.013 ( -1.468 -0.867 6.326) 6.552 5.279 ( 0.331 0.053 -9.365) 9.371 5.703 ( 0.398 1.523 4.910) 5.156 5.903 ( -0.451 -1.788 2.297) 2.946 6.297 ( 5.517 3.486 -0.302) 6.533 6.381 ( 7.189 -0.690 2.381) 7.604 6.662 ( -0.543 -0.908 9.175) 9.236 6.778 ( -4.116 0.738 -7.318) 8.429 6.824 ( 1.028 -0.991 -3.588) 3.862 7.106 ( -2.522 1.548 -4.547) 5.425 7.294 ( 2.022 0.634 5.416) 5.816 7.395 ( 2.666 -0.570 1.966) 3.361 7.540 ( -1.068 -2.180 8.959) 9.282 7.732 ( 2.710 -0.670 0.789) 2.901 8.149 ( -0.308 2.742 -5.975) 6.581 8.290 ( -2.333 -1.258 0.008) 2.651 8.591 ( -2.603 0.851 12.374) 12.673 8.769 ( 1.559 -0.334 -12.176) 12.280 9.433 ( 0.495 1.294 -6.855) 6.994 9.617 ( 3.797 -1.324 16.711) 17.188 10.307 ( -0.080 0.779 1.825) 1.986 10.369 ( 0.596 -0.881 1.151) 1.567 10.498 ( -5.793 -0.264 2.964) 6.512 10.532 ( 4.120 -2.155 0.032) 4.650 10.947 ( 4.008 1.868 -7.954) 9.100 11.231 ( -3.406 -4.798 -7.543) 9.566 11.887 ( -3.426 4.371 21.347) 22.057 12.804 ( -4.231 1.082 -19.797) 20.273 14.373 ( 0.125 -0.984 -2.860) 3.027 14.385 ( -2.551 0.074 1.343) 2.884 ======================= Grid point 268 (129/129) ======================= q-point: (-0.12 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -9.479 -0.000 16.241) 18.805 1.309 ( -10.526 -0.000 16.922) 19.929 1.749 ( -2.432 -0.000 -10.474) 10.753 1.753 ( -7.476 -0.000 -7.828) 10.825 2.440 ( -7.305 -0.000 14.372) 16.121 2.512 ( 2.004 0.000 -3.129) 3.716 2.731 ( 5.604 0.000 -2.447) 6.115 2.839 ( 4.364 0.000 -1.212) 4.529 2.939 ( 6.743 0.000 -2.468) 7.181 3.033 ( 3.614 0.000 1.366) 3.864 3.392 ( -3.170 -0.000 7.923) 8.534 3.511 ( 1.860 0.000 -0.117) 1.864 3.671 ( -2.805 -0.000 -2.607) 3.830 3.850 ( 3.293 0.000 2.108) 3.910 3.949 ( 5.376 0.000 1.249) 5.519 4.016 ( 3.983 0.000 1.035) 4.115 4.033 ( 0.150 0.000 -1.331) 1.340 4.179 ( 0.490 0.000 -12.430) 12.439 4.332 ( -0.143 -0.000 -6.392) 6.394 4.446 ( 0.342 0.000 1.903) 1.934 4.492 ( -1.851 -0.000 -0.388) 1.891 4.655 ( 2.876 0.000 -3.117) 4.241 4.877 ( -1.918 -0.000 4.451) 4.847 4.922 ( 2.593 0.000 0.025) 2.593 5.011 ( -1.194 -0.000 4.185) 4.352 5.219 ( -0.774 -0.000 -10.409) 10.437 5.752 ( 0.746 0.000 6.284) 6.328 5.877 ( -2.115 -0.000 1.067) 2.369 6.430 ( 8.368 0.000 -5.200) 9.852 6.523 ( 7.192 0.000 3.063) 7.817 6.661 ( -3.499 -0.000 -7.813) 8.561 6.663 ( -4.085 -0.000 8.520) 9.448 6.820 ( 0.412 0.000 -2.154) 2.193 7.056 ( -1.207 -0.000 -4.992) 5.136 7.381 ( 2.507 0.000 8.230) 8.603 7.452 ( 2.484 0.000 2.264) 3.361 7.578 ( 2.539 0.000 6.418) 6.902 7.784 ( 2.807 0.000 -0.837) 2.929 8.109 ( -1.783 -0.000 -6.372) 6.616 8.220 ( -4.687 -0.000 -1.650) 4.969 8.613 ( -3.363 -0.000 11.971) 12.435 8.741 ( 3.492 0.000 -11.978) 12.477 9.418 ( 2.848 0.000 -8.020) 8.511 9.725 ( -2.962 -0.000 10.570) 10.977 10.322 ( 0.243 0.000 2.699) 2.710 10.384 ( 0.616 0.000 1.743) 1.848 10.564 ( 12.135 0.000 8.664) 14.911 10.611 ( 7.622 0.000 -1.862) 7.846 10.996 ( 4.890 0.000 -6.784) 8.363 11.121 ( -2.566 -0.000 -3.058) 3.992 11.913 ( -10.144 -0.000 20.555) 22.921 12.502 ( -17.974 -0.000 -22.519) 28.813 14.346 ( -2.514 -0.000 1.349) 2.853 14.355 ( 0.177 0.000 -2.515) 2.521 =================== 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 3/24192 10.0 1393.472 1446.223 1603.560 -0.000 -98.449 0.000 3/24192 20.0 142.849 145.583 200.599 -0.000 -28.799 0.000 3/24192 30.0 34.572 34.542 51.600 0.000 -8.294 0.000 3/24192 40.0 14.825 14.633 22.527 0.000 -3.696 0.000 3/24192 50.0 8.560 8.399 13.056 0.000 -2.129 0.000 3/24192 60.0 5.819 5.688 8.873 0.000 -1.430 0.000 3/24192 70.0 4.361 4.248 6.642 0.000 -1.058 0.000 3/24192 80.0 3.481 3.379 5.293 0.000 -0.835 0.000 3/24192 90.0 2.901 2.805 4.403 0.000 -0.690 0.000 3/24192 100.0 2.494 2.401 3.777 0.000 -0.589 0.000 3/24192 110.0 2.193 2.103 3.314 0.000 -0.514 0.000 3/24192 120.0 1.963 1.874 2.959 0.000 -0.457 0.000 3/24192 130.0 1.781 1.692 2.678 0.000 -0.413 0.000 3/24192 140.0 1.633 1.545 2.450 0.000 -0.377 0.000 3/24192 150.0 1.511 1.424 2.261 0.000 -0.347 0.000 3/24192 160.0 1.407 1.321 2.101 0.000 -0.322 0.000 3/24192 170.0 1.318 1.233 1.964 0.000 -0.300 0.000 3/24192 180.0 1.241 1.157 1.845 0.000 -0.282 0.000 3/24192 190.0 1.173 1.090 1.741 0.000 -0.265 0.000 3/24192 200.0 1.113 1.031 1.649 0.000 -0.251 0.000 3/24192 210.0 1.059 0.979 1.566 0.000 -0.238 0.000 3/24192 220.0 1.011 0.932 1.492 0.000 -0.227 0.000 3/24192 230.0 0.967 0.889 1.425 0.000 -0.217 0.000 3/24192 240.0 0.926 0.850 1.364 0.000 -0.207 0.000 3/24192 250.0 0.890 0.815 1.308 0.000 -0.198 0.000 3/24192 260.0 0.856 0.783 1.257 0.000 -0.191 0.000 3/24192 270.0 0.824 0.753 1.210 0.000 -0.183 0.000 3/24192 280.0 0.795 0.725 1.166 0.000 -0.177 0.000 3/24192 290.0 0.768 0.699 1.125 0.000 -0.170 0.000 3/24192 300.0 0.743 0.676 1.087 0.000 -0.165 0.000 3/24192 310.0 0.720 0.653 1.052 0.000 -0.159 0.000 3/24192 320.0 0.697 0.633 1.019 0.000 -0.154 0.000 3/24192 330.0 0.677 0.613 0.988 0.000 -0.149 0.000 3/24192 340.0 0.657 0.595 0.959 0.000 -0.145 0.000 3/24192 350.0 0.639 0.578 0.932 0.000 -0.141 0.000 3/24192 360.0 0.621 0.561 0.906 0.000 -0.137 0.000 3/24192 370.0 0.605 0.546 0.881 0.000 -0.133 0.000 3/24192 380.0 0.589 0.532 0.858 0.000 -0.130 0.000 3/24192 390.0 0.574 0.518 0.836 0.000 -0.126 0.000 3/24192 400.0 0.560 0.505 0.815 0.000 -0.123 0.000 3/24192 410.0 0.547 0.492 0.795 0.000 -0.120 0.000 3/24192 420.0 0.534 0.481 0.776 0.000 -0.117 0.000 3/24192 430.0 0.522 0.469 0.758 0.000 -0.114 0.000 3/24192 440.0 0.510 0.459 0.741 0.000 -0.112 0.000 3/24192 450.0 0.499 0.448 0.725 0.000 -0.109 0.000 3/24192 460.0 0.488 0.439 0.709 0.000 -0.107 0.000 3/24192 470.0 0.478 0.429 0.694 0.000 -0.105 0.000 3/24192 480.0 0.468 0.420 0.680 0.000 -0.102 0.000 3/24192 490.0 0.459 0.412 0.666 0.000 -0.100 0.000 3/24192 500.0 0.450 0.403 0.652 0.000 -0.098 0.000 3/24192 510.0 0.441 0.395 0.640 0.000 -0.096 0.000 3/24192 520.0 0.433 0.388 0.627 0.000 -0.095 0.000 3/24192 530.0 0.425 0.381 0.616 0.000 -0.093 0.000 3/24192 540.0 0.417 0.373 0.604 0.000 -0.091 0.000 3/24192 550.0 0.409 0.367 0.593 0.000 -0.089 0.000 3/24192 560.0 0.402 0.360 0.583 0.000 -0.088 0.000 3/24192 570.0 0.395 0.354 0.573 0.000 -0.086 0.000 3/24192 580.0 0.388 0.348 0.563 0.000 -0.085 0.000 3/24192 590.0 0.382 0.342 0.553 0.000 -0.083 0.000 3/24192 600.0 0.376 0.336 0.544 0.000 -0.082 0.000 3/24192 610.0 0.369 0.331 0.535 0.000 -0.081 0.000 3/24192 620.0 0.364 0.325 0.526 0.000 -0.079 0.000 3/24192 630.0 0.358 0.320 0.518 0.000 -0.078 0.000 3/24192 640.0 0.352 0.315 0.510 0.000 -0.077 0.000 3/24192 650.0 0.347 0.310 0.502 0.000 -0.076 0.000 3/24192 660.0 0.342 0.305 0.495 0.000 -0.075 0.000 3/24192 670.0 0.337 0.301 0.487 0.000 -0.073 0.000 3/24192 680.0 0.332 0.296 0.480 0.000 -0.072 0.000 3/24192 690.0 0.327 0.292 0.473 0.000 -0.071 0.000 3/24192 700.0 0.322 0.288 0.466 0.000 -0.070 0.000 3/24192 710.0 0.318 0.284 0.460 0.000 -0.069 0.000 3/24192 720.0 0.313 0.280 0.454 0.000 -0.068 0.000 3/24192 730.0 0.309 0.276 0.447 0.000 -0.067 0.000 3/24192 740.0 0.305 0.272 0.441 0.000 -0.066 0.000 3/24192 750.0 0.301 0.269 0.435 0.000 -0.066 0.000 3/24192 760.0 0.297 0.265 0.430 0.000 -0.065 0.000 3/24192 770.0 0.293 0.262 0.424 0.000 -0.064 0.000 3/24192 780.0 0.290 0.258 0.419 0.000 -0.063 0.000 3/24192 790.0 0.286 0.255 0.413 0.000 -0.062 0.000 3/24192 800.0 0.282 0.252 0.408 0.000 -0.061 0.000 3/24192 810.0 0.279 0.249 0.403 0.000 -0.061 0.000 3/24192 820.0 0.275 0.246 0.398 0.000 -0.060 0.000 3/24192 830.0 0.272 0.243 0.394 0.000 -0.059 0.000 3/24192 840.0 0.269 0.240 0.389 0.000 -0.059 0.000 3/24192 850.0 0.266 0.237 0.384 0.000 -0.058 0.000 3/24192 860.0 0.263 0.234 0.380 0.000 -0.057 0.000 3/24192 870.0 0.260 0.232 0.375 0.000 -0.057 0.000 3/24192 880.0 0.257 0.229 0.371 0.000 -0.056 0.000 3/24192 890.0 0.254 0.226 0.367 0.000 -0.055 0.000 3/24192 900.0 0.251 0.224 0.363 0.000 -0.055 0.000 3/24192 910.0 0.248 0.221 0.359 0.000 -0.054 0.000 3/24192 920.0 0.246 0.219 0.355 0.000 -0.053 0.000 3/24192 930.0 0.243 0.217 0.351 0.000 -0.053 0.000 3/24192 940.0 0.241 0.214 0.348 0.000 -0.052 0.000 3/24192 950.0 0.238 0.212 0.344 0.000 -0.052 0.000 3/24192 960.0 0.236 0.210 0.340 0.000 -0.051 0.000 3/24192 970.0 0.233 0.208 0.337 0.000 -0.051 0.000 3/24192 980.0 0.231 0.206 0.333 0.000 -0.050 0.000 3/24192 990.0 0.228 0.204 0.330 0.000 -0.050 0.000 3/24192 1000.0 0.226 0.202 0.327 0.000 -0.049 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:42:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|