----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:41:49]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.433775010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.908781409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.512674269999998 Atomic positions (fractional): *1 O 0.95118789010986 0.26169126493056 0.07742391217209 15.999 2 O 0.04881210989014 0.26169126493056 0.42257608782791 15.999 3 O 0.45118789010986 0.23830873506944 0.92257608782791 15.999 4 O 0.54881210989014 0.23830873506944 0.57742391217209 15.999 5 O 0.04881210989014 0.73830873506944 0.92257608782791 15.999 6 O 0.95118789010986 0.73830873506944 0.57742391217209 15.999 7 O 0.54881210989014 0.76169126493056 0.07742391217209 15.999 8 O 0.45118789010986 0.76169126493056 0.42257608782791 15.999 *9 O 0.17708914526145 0.87987043333267 0.15156358615434 15.999 10 O 0.82291085473855 0.87987043333267 0.34843641384566 15.999 11 O 0.67708914526145 0.62012956666733 0.84843641384566 15.999 12 O 0.32291085473855 0.62012956666733 0.65156358615434 15.999 13 O 0.82291085473855 0.12012956666733 0.84843641384566 15.999 14 O 0.17708914526145 0.12012956666733 0.65156358615434 15.999 15 O 0.32291085473855 0.37987043333267 0.15156358615434 15.999 16 O 0.67708914526145 0.37987043333267 0.34843641384566 15.999 *17 O 0.50000000000000 0.76216764247696 0.25000000000000 15.999 18 O 0.00000000000000 0.73783235752304 0.75000000000000 15.999 19 O 0.50000000000000 0.23783235752304 0.75000000000000 15.999 20 O 0.00000000000000 0.26216764247696 0.25000000000000 15.999 *21 Na 0.59823619283978 0.76334753907333 0.55964449386870 22.990 22 Na 0.40176380716022 0.76334753907333 0.94035550613130 22.990 23 Na 0.09823619283978 0.73665246092667 0.44035550613130 22.990 24 Na 0.90176380716022 0.73665246092667 0.05964449386870 22.990 25 Na 0.40176380716022 0.23665246092667 0.44035550613130 22.990 26 Na 0.59823619283978 0.23665246092667 0.05964449386870 22.990 27 Na 0.90176380716022 0.26334753907333 0.55964449386870 22.990 28 Na 0.09823619283978 0.26334753907333 0.94035550613130 22.990 *29 Si 0.60424163736498 0.70341331997542 0.34362832255088 28.085 30 Si 0.39575836263503 0.70341331997542 0.15637167744912 28.085 31 Si 0.10424163736498 0.79658668002458 0.65637167744912 28.085 32 Si 0.89575836263502 0.79658668002458 0.84362832255088 28.085 33 Si 0.39575836263503 0.29658668002458 0.65637167744912 28.085 34 Si 0.60424163736498 0.29658668002458 0.84362832255088 28.085 35 Si 0.89575836263502 0.20341331997542 0.34362832255088 28.085 36 Si 0.10424163736498 0.20341331997542 0.15637167744912 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.433775010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.908781409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.512674269999998 Atomic positions (fractional): *1 O 0.95118789010986 0.26169126493056 0.07742391217209 15.999 > 1 2 O 0.04881210989014 0.26169126493056 0.42257608782791 15.999 > 2 3 O 0.45118789010986 0.23830873506944 0.92257608782791 15.999 > 3 4 O 0.54881210989014 0.23830873506944 0.57742391217209 15.999 > 4 5 O 0.04881210989014 0.73830873506944 0.92257608782791 15.999 > 5 6 O 0.95118789010986 0.73830873506944 0.57742391217209 15.999 > 6 7 O 0.54881210989014 0.76169126493056 0.07742391217209 15.999 > 7 8 O 0.45118789010986 0.76169126493056 0.42257608782791 15.999 > 8 *9 O 0.17708914526145 0.87987043333267 0.15156358615434 15.999 > 9 10 O 0.82291085473855 0.87987043333267 0.34843641384566 15.999 > 10 11 O 0.67708914526145 0.62012956666733 0.84843641384566 15.999 > 11 12 O 0.32291085473855 0.62012956666733 0.65156358615434 15.999 > 12 13 O 0.82291085473855 0.12012956666733 0.84843641384566 15.999 > 13 14 O 0.17708914526145 0.12012956666733 0.65156358615434 15.999 > 14 15 O 0.32291085473855 0.37987043333267 0.15156358615434 15.999 > 15 16 O 0.67708914526145 0.37987043333267 0.34843641384566 15.999 > 16 *17 O 0.50000000000000 0.76216764247696 0.25000000000000 15.999 > 17 18 O 0.00000000000000 0.73783235752304 0.75000000000000 15.999 > 18 19 O 0.50000000000000 0.23783235752304 0.75000000000000 15.999 > 19 20 O 0.00000000000000 0.26216764247696 0.25000000000000 15.999 > 20 *21 Na 0.59823619283978 0.76334753907333 0.55964449386870 22.990 > 21 22 Na 0.40176380716022 0.76334753907333 0.94035550613130 22.990 > 22 23 Na 0.09823619283978 0.73665246092667 0.44035550613130 22.990 > 23 24 Na 0.90176380716022 0.73665246092667 0.05964449386870 22.990 > 24 25 Na 0.40176380716022 0.23665246092667 0.44035550613130 22.990 > 25 26 Na 0.59823619283978 0.23665246092667 0.05964449386870 22.990 > 26 27 Na 0.90176380716022 0.26334753907333 0.55964449386870 22.990 > 27 28 Na 0.09823619283978 0.26334753907333 0.94035550613130 22.990 > 28 *29 Si 0.60424163736498 0.70341331997542 0.34362832255088 28.085 > 29 30 Si 0.39575836263503 0.70341331997542 0.15637167744912 28.085 > 30 31 Si 0.10424163736498 0.79658668002458 0.65637167744912 28.085 > 31 32 Si 0.89575836263502 0.79658668002458 0.84362832255088 28.085 > 32 33 Si 0.39575836263503 0.29658668002458 0.65637167744912 28.085 > 33 34 Si 0.60424163736498 0.29658668002458 0.84362832255088 28.085 > 34 35 Si 0.89575836263502 0.20341331997542 0.34362832255088 28.085 > 35 36 Si 0.10424163736498 0.20341331997542 0.15637167744912 28.085 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.867550019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.817562819999997 0.000000000000000 c 0.000000000000000 0.000000000000000 15.512674269999998 Atomic positions (fractional): *1 O 0.47559394505493 0.13084563246528 0.07742391217209 15.999 > 1 2 O 0.97559394505493 0.13084563246528 0.07742391217209 15.999 > 1 3 O 0.47559394505493 0.63084563246528 0.07742391217209 15.999 > 1 4 O 0.97559394505493 0.63084563246528 0.07742391217209 15.999 > 1 5 O 0.02440605494507 0.13084563246528 0.42257608782791 15.999 > 2 6 O 0.52440605494507 0.13084563246528 0.42257608782791 15.999 > 2 7 O 0.02440605494507 0.63084563246528 0.42257608782791 15.999 > 2 8 O 0.52440605494507 0.63084563246528 0.42257608782791 15.999 > 2 9 O 0.22559394505493 0.11915436753472 0.92257608782791 15.999 > 3 10 O 0.72559394505493 0.11915436753472 0.92257608782791 15.999 > 3 11 O 0.22559394505493 0.61915436753472 0.92257608782791 15.999 > 3 12 O 0.72559394505493 0.61915436753472 0.92257608782791 15.999 > 3 13 O 0.27440605494507 0.11915436753472 0.57742391217209 15.999 > 4 14 O 0.77440605494507 0.11915436753472 0.57742391217209 15.999 > 4 15 O 0.27440605494507 0.61915436753472 0.57742391217209 15.999 > 4 16 O 0.77440605494507 0.61915436753472 0.57742391217209 15.999 > 4 17 O 0.02440605494507 0.36915436753472 0.92257608782791 15.999 > 5 18 O 0.52440605494507 0.36915436753472 0.92257608782791 15.999 > 5 19 O 0.02440605494507 0.86915436753472 0.92257608782791 15.999 > 5 20 O 0.52440605494507 0.86915436753472 0.92257608782791 15.999 > 5 21 O 0.47559394505493 0.36915436753472 0.57742391217209 15.999 > 6 22 O 0.97559394505493 0.36915436753472 0.57742391217209 15.999 > 6 23 O 0.47559394505493 0.86915436753472 0.57742391217209 15.999 > 6 24 O 0.97559394505493 0.86915436753472 0.57742391217209 15.999 > 6 25 O 0.27440605494507 0.38084563246528 0.07742391217209 15.999 > 7 26 O 0.77440605494507 0.38084563246528 0.07742391217209 15.999 > 7 27 O 0.27440605494507 0.88084563246528 0.07742391217209 15.999 > 7 28 O 0.77440605494507 0.88084563246528 0.07742391217209 15.999 > 7 29 O 0.22559394505493 0.38084563246528 0.42257608782791 15.999 > 8 30 O 0.72559394505493 0.38084563246528 0.42257608782791 15.999 > 8 31 O 0.22559394505493 0.88084563246528 0.42257608782791 15.999 > 8 32 O 0.72559394505493 0.88084563246528 0.42257608782791 15.999 > 8 *33 O 0.08854457263073 0.43993521666634 0.15156358615434 15.999 > 9 34 O 0.58854457263073 0.43993521666634 0.15156358615434 15.999 > 9 35 O 0.08854457263073 0.93993521666634 0.15156358615434 15.999 > 9 36 O 0.58854457263073 0.93993521666634 0.15156358615434 15.999 > 9 37 O 0.41145542736927 0.43993521666634 0.34843641384566 15.999 > 10 38 O 0.91145542736927 0.43993521666634 0.34843641384566 15.999 > 10 39 O 0.41145542736927 0.93993521666634 0.34843641384566 15.999 > 10 40 O 0.91145542736927 0.93993521666634 0.34843641384566 15.999 > 10 41 O 0.33854457263073 0.31006478333366 0.84843641384566 15.999 > 11 42 O 0.83854457263073 0.31006478333366 0.84843641384566 15.999 > 11 43 O 0.33854457263073 0.81006478333366 0.84843641384566 15.999 > 11 44 O 0.83854457263073 0.81006478333366 0.84843641384566 15.999 > 11 45 O 0.16145542736927 0.31006478333366 0.65156358615434 15.999 > 12 46 O 0.66145542736927 0.31006478333366 0.65156358615434 15.999 > 12 47 O 0.16145542736927 0.81006478333366 0.65156358615434 15.999 > 12 48 O 0.66145542736927 0.81006478333366 0.65156358615434 15.999 > 12 49 O 0.41145542736927 0.06006478333366 0.84843641384566 15.999 > 13 50 O 0.91145542736927 0.06006478333366 0.84843641384566 15.999 > 13 51 O 0.41145542736927 0.56006478333366 0.84843641384566 15.999 > 13 52 O 0.91145542736927 0.56006478333366 0.84843641384566 15.999 > 13 53 O 0.08854457263073 0.06006478333366 0.65156358615434 15.999 > 14 54 O 0.58854457263073 0.06006478333366 0.65156358615434 15.999 > 14 55 O 0.08854457263073 0.56006478333366 0.65156358615434 15.999 > 14 56 O 0.58854457263073 0.56006478333366 0.65156358615434 15.999 > 14 57 O 0.16145542736927 0.18993521666634 0.15156358615434 15.999 > 15 58 O 0.66145542736927 0.18993521666634 0.15156358615434 15.999 > 15 59 O 0.16145542736927 0.68993521666634 0.15156358615434 15.999 > 15 60 O 0.66145542736927 0.68993521666634 0.15156358615434 15.999 > 15 61 O 0.33854457263073 0.18993521666634 0.34843641384566 15.999 > 16 62 O 0.83854457263073 0.18993521666634 0.34843641384566 15.999 > 16 63 O 0.33854457263073 0.68993521666634 0.34843641384566 15.999 > 16 64 O 0.83854457263073 0.68993521666634 0.34843641384566 15.999 > 16 *65 O 0.25000000000000 0.38108382123848 0.25000000000000 15.999 > 17 66 O 0.75000000000000 0.38108382123848 0.25000000000000 15.999 > 17 67 O 0.25000000000000 0.88108382123848 0.25000000000000 15.999 > 17 68 O 0.75000000000000 0.88108382123848 0.25000000000000 15.999 > 17 69 O 0.00000000000000 0.36891617876152 0.75000000000000 15.999 > 18 70 O 0.50000000000000 0.36891617876152 0.75000000000000 15.999 > 18 71 O 0.00000000000000 0.86891617876152 0.75000000000000 15.999 > 18 72 O 0.50000000000000 0.86891617876152 0.75000000000000 15.999 > 18 73 O 0.25000000000000 0.11891617876152 0.75000000000000 15.999 > 19 74 O 0.75000000000000 0.11891617876152 0.75000000000000 15.999 > 19 75 O 0.25000000000000 0.61891617876152 0.75000000000000 15.999 > 19 76 O 0.75000000000000 0.61891617876152 0.75000000000000 15.999 > 19 77 O 0.00000000000000 0.13108382123848 0.25000000000000 15.999 > 20 78 O 0.50000000000000 0.13108382123848 0.25000000000000 15.999 > 20 79 O 0.00000000000000 0.63108382123848 0.25000000000000 15.999 > 20 80 O 0.50000000000000 0.63108382123848 0.25000000000000 15.999 > 20 *81 Na 0.29911809641989 0.38167376953667 0.55964449386870 22.990 > 21 82 Na 0.79911809641989 0.38167376953667 0.55964449386870 22.990 > 21 83 Na 0.29911809641989 0.88167376953667 0.55964449386870 22.990 > 21 84 Na 0.79911809641989 0.88167376953667 0.55964449386870 22.990 > 21 85 Na 0.20088190358011 0.38167376953667 0.94035550613130 22.990 > 22 86 Na 0.70088190358011 0.38167376953667 0.94035550613130 22.990 > 22 87 Na 0.20088190358011 0.88167376953667 0.94035550613130 22.990 > 22 88 Na 0.70088190358011 0.88167376953667 0.94035550613130 22.990 > 22 89 Na 0.04911809641989 0.36832623046333 0.44035550613130 22.990 > 23 90 Na 0.54911809641989 0.36832623046333 0.44035550613130 22.990 > 23 91 Na 0.04911809641989 0.86832623046333 0.44035550613130 22.990 > 23 92 Na 0.54911809641989 0.86832623046333 0.44035550613130 22.990 > 23 93 Na 0.45088190358011 0.36832623046333 0.05964449386870 22.990 > 24 94 Na 0.95088190358011 0.36832623046333 0.05964449386870 22.990 > 24 95 Na 0.45088190358011 0.86832623046333 0.05964449386870 22.990 > 24 96 Na 0.95088190358011 0.86832623046333 0.05964449386870 22.990 > 24 97 Na 0.20088190358011 0.11832623046333 0.44035550613130 22.990 > 25 98 Na 0.70088190358011 0.11832623046333 0.44035550613130 22.990 > 25 99 Na 0.20088190358011 0.61832623046333 0.44035550613130 22.990 > 25 100 Na 0.70088190358011 0.61832623046333 0.44035550613130 22.990 > 25 101 Na 0.29911809641989 0.11832623046333 0.05964449386870 22.990 > 26 102 Na 0.79911809641989 0.11832623046333 0.05964449386870 22.990 > 26 103 Na 0.29911809641989 0.61832623046333 0.05964449386870 22.990 > 26 104 Na 0.79911809641989 0.61832623046333 0.05964449386870 22.990 > 26 105 Na 0.45088190358011 0.13167376953667 0.55964449386870 22.990 > 27 106 Na 0.95088190358011 0.13167376953667 0.55964449386870 22.990 > 27 107 Na 0.45088190358011 0.63167376953667 0.55964449386870 22.990 > 27 108 Na 0.95088190358011 0.63167376953667 0.55964449386870 22.990 > 27 109 Na 0.04911809641989 0.13167376953667 0.94035550613130 22.990 > 28 110 Na 0.54911809641989 0.13167376953667 0.94035550613130 22.990 > 28 111 Na 0.04911809641989 0.63167376953667 0.94035550613130 22.990 > 28 112 Na 0.54911809641989 0.63167376953667 0.94035550613130 22.990 > 28 *113 Si 0.30212081868249 0.35170665998771 0.34362832255088 28.085 > 29 114 Si 0.80212081868249 0.35170665998771 0.34362832255088 28.085 > 29 115 Si 0.30212081868249 0.85170665998771 0.34362832255088 28.085 > 29 116 Si 0.80212081868249 0.85170665998771 0.34362832255088 28.085 > 29 117 Si 0.19787918131751 0.35170665998771 0.15637167744912 28.085 > 30 118 Si 0.69787918131751 0.35170665998771 0.15637167744912 28.085 > 30 119 Si 0.19787918131751 0.85170665998771 0.15637167744912 28.085 > 30 120 Si 0.69787918131751 0.85170665998771 0.15637167744912 28.085 > 30 121 Si 0.05212081868249 0.39829334001229 0.65637167744912 28.085 > 31 122 Si 0.55212081868249 0.39829334001229 0.65637167744912 28.085 > 31 123 Si 0.05212081868249 0.89829334001229 0.65637167744912 28.085 > 31 124 Si 0.55212081868249 0.89829334001229 0.65637167744912 28.085 > 31 125 Si 0.44787918131751 0.39829334001229 0.84362832255088 28.085 > 32 126 Si 0.94787918131751 0.39829334001229 0.84362832255088 28.085 > 32 127 Si 0.44787918131751 0.89829334001229 0.84362832255088 28.085 > 32 128 Si 0.94787918131751 0.89829334001229 0.84362832255088 28.085 > 32 129 Si 0.19787918131751 0.14829334001229 0.65637167744912 28.085 > 33 130 Si 0.69787918131751 0.14829334001229 0.65637167744912 28.085 > 33 131 Si 0.19787918131751 0.64829334001229 0.65637167744912 28.085 > 33 132 Si 0.69787918131751 0.64829334001229 0.65637167744912 28.085 > 33 133 Si 0.30212081868249 0.14829334001229 0.84362832255088 28.085 > 34 134 Si 0.80212081868249 0.14829334001229 0.84362832255088 28.085 > 34 135 Si 0.30212081868249 0.64829334001229 0.84362832255088 28.085 > 34 136 Si 0.80212081868249 0.64829334001229 0.84362832255088 28.085 > 34 137 Si 0.44787918131751 0.10170665998771 0.34362832255088 28.085 > 35 138 Si 0.94787918131751 0.10170665998771 0.34362832255088 28.085 > 35 139 Si 0.44787918131751 0.60170665998771 0.34362832255088 28.085 > 35 140 Si 0.94787918131751 0.60170665998771 0.34362832255088 28.085 > 35 141 Si 0.05212081868249 0.10170665998771 0.15637167744912 28.085 > 36 142 Si 0.55212081868249 0.10170665998771 0.15637167744912 28.085 > 36 143 Si 0.05212081868249 0.60170665998771 0.15637167744912 28.085 > 36 144 Si 0.55212081868249 0.60170665998771 0.15637167744912 28.085 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3528585 0.0000000 0.0000000 0.0000000 2.3829293 0.0000000 0.0000000 0.0000000 2.3769460 -------------------------- Born effective charges -------------------------- 1 O -1.5541809 0.0909136 -0.3249926 0.0223688 -1.3635321 0.0774963 -0.3183307 0.0810607 -1.6933733 2 O -1.5541809 -0.0909136 -0.3249926 -0.0223688 -1.3635321 -0.0774963 -0.3183307 -0.0810607 -1.6933733 3 O -1.5541809 -0.0909136 0.3249926 -0.0223688 -1.3635321 0.0774963 0.3183307 0.0810607 -1.6933733 4 O -1.5541809 0.0909136 0.3249926 0.0223688 -1.3635321 -0.0774963 0.3183307 -0.0810607 -1.6933733 5 O -1.5541809 0.0909136 -0.3249926 0.0223688 -1.3635321 0.0774963 -0.3183307 0.0810607 -1.6933733 6 O -1.5541809 -0.0909136 -0.3249926 -0.0223688 -1.3635321 -0.0774963 -0.3183307 -0.0810607 -1.6933733 7 O -1.5541809 -0.0909136 0.3249926 -0.0223688 -1.3635321 0.0774963 0.3183307 0.0810607 -1.6933733 8 O -1.5541809 0.0909136 0.3249926 0.0223688 -1.3635321 -0.0774963 0.3183307 -0.0810607 -1.6933733 9 O -1.7629404 0.7302640 -0.0403468 0.7966160 -2.2806394 -0.0123331 -0.0521581 -0.0435715 -1.0427971 10 O -1.7629404 -0.7302640 -0.0403468 -0.7966160 -2.2806394 0.0123331 -0.0521581 0.0435715 -1.0427971 11 O -1.7629404 -0.7302640 0.0403468 -0.7966160 -2.2806394 -0.0123331 0.0521581 -0.0435715 -1.0427971 12 O -1.7629404 0.7302640 0.0403468 0.7966160 -2.2806394 0.0123331 0.0521581 0.0435715 -1.0427971 13 O -1.7629404 0.7302640 -0.0403468 0.7966160 -2.2806394 -0.0123331 -0.0521581 -0.0435715 -1.0427971 14 O -1.7629404 -0.7302640 -0.0403468 -0.7966160 -2.2806394 0.0123331 -0.0521581 0.0435715 -1.0427971 15 O -1.7629404 -0.7302640 0.0403468 -0.7966160 -2.2806394 -0.0123331 0.0521581 -0.0435715 -1.0427971 16 O -1.7629404 0.7302640 0.0403468 0.7966160 -2.2806394 0.0123331 0.0521581 0.0435715 -1.0427971 17 O -1.4072125 0.0000000 -0.9550486 0.0000000 -1.0325923 0.0000000 -0.7398736 0.0000000 -2.7092806 18 O -1.4072125 0.0000000 0.9550486 0.0000000 -1.0325923 0.0000000 0.7398736 0.0000000 -2.7092806 19 O -1.4072125 0.0000000 -0.9550486 0.0000000 -1.0325923 0.0000000 -0.7398736 0.0000000 -2.7092806 20 O -1.4072125 0.0000000 0.9550486 0.0000000 -1.0325923 0.0000000 0.7398736 0.0000000 -2.7092806 21 Na 1.0470294 0.0145700 -0.0588525 0.0258896 1.0497115 -0.0105161 0.0120620 -0.0042265 1.0448511 22 Na 1.0470294 -0.0145700 -0.0588525 -0.0258896 1.0497115 0.0105161 0.0120620 0.0042265 1.0448511 23 Na 1.0470294 -0.0145700 0.0588525 -0.0258896 1.0497115 -0.0105161 -0.0120620 -0.0042265 1.0448511 24 Na 1.0470294 0.0145700 0.0588525 0.0258896 1.0497115 0.0105161 -0.0120620 0.0042265 1.0448511 25 Na 1.0470294 0.0145700 -0.0588525 0.0258896 1.0497115 -0.0105161 0.0120620 -0.0042265 1.0448511 26 Na 1.0470294 -0.0145700 -0.0588525 -0.0258896 1.0497115 0.0105161 0.0120620 0.0042265 1.0448511 27 Na 1.0470294 -0.0145700 0.0588525 -0.0258896 1.0497115 -0.0105161 -0.0120620 -0.0042265 1.0448511 28 Na 1.0470294 0.0145700 0.0588525 0.0258896 1.0497115 0.0105161 -0.0120620 0.0042265 1.0448511 29 Si 2.9736982 -0.2974476 0.2167876 0.2330498 3.1107562 0.0224583 0.1151756 -0.0857502 3.0459596 30 Si 2.9736982 0.2974476 0.2167876 -0.2330498 3.1107562 -0.0224583 0.1151756 0.0857502 3.0459596 31 Si 2.9736982 0.2974476 -0.2167876 -0.2330498 3.1107562 0.0224583 -0.1151756 -0.0857502 3.0459596 32 Si 2.9736982 -0.2974476 -0.2167876 0.2330498 3.1107562 -0.0224583 -0.1151756 0.0857502 3.0459596 33 Si 2.9736982 -0.2974476 0.2167876 0.2330498 3.1107562 0.0224583 0.1151756 -0.0857502 3.0459596 34 Si 2.9736982 0.2974476 0.2167876 -0.2330498 3.1107562 -0.0224583 0.1151756 0.0857502 3.0459596 35 Si 2.9736982 0.2974476 -0.2167876 -0.2330498 3.1107562 0.0224583 -0.1151756 -0.0857502 3.0459596 36 Si 2.9736982 -0.2974476 -0.2167876 0.2330498 3.1107562 -0.0224583 -0.1151756 0.0857502 3.0459596 ---------------------------------------------------------------------------- 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: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 142 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3012), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 10), data: (652, 20) @ (20, 10) |-- (152, 142), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.027 Solver_block: 200 / 560 - Time: 0.979 Solver_block: 300 / 560 - Time: 0.944 Solver_block: 400 / 560 - Time: 0.981 Solver_block: 500 / 560 - Time: 0.970 Solver_block: 560 / 560 - Time: 0.622 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.648 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 142 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3012), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 10), data: (652, 20) @ (20, 10) |-- (152, 142), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:42:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:42:26]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.433775010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.908781409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.512674269999998 Atomic positions (fractional): 1 O 0.95118789010986 0.26169126493056 0.07742391217209 15.999 2 O 0.04881210989014 0.26169126493056 0.42257608782791 15.999 3 O 0.45118789010986 0.23830873506944 0.92257608782791 15.999 4 O 0.54881210989014 0.23830873506944 0.57742391217209 15.999 5 O 0.04881210989014 0.73830873506944 0.92257608782791 15.999 6 O 0.95118789010986 0.73830873506944 0.57742391217209 15.999 7 O 0.54881210989014 0.76169126493056 0.07742391217209 15.999 8 O 0.45118789010986 0.76169126493056 0.42257608782791 15.999 9 O 0.17708914526145 0.87987043333267 0.15156358615434 15.999 10 O 0.82291085473855 0.87987043333267 0.34843641384566 15.999 11 O 0.67708914526145 0.62012956666733 0.84843641384566 15.999 12 O 0.32291085473855 0.62012956666733 0.65156358615434 15.999 13 O 0.82291085473855 0.12012956666733 0.84843641384566 15.999 14 O 0.17708914526145 0.12012956666733 0.65156358615434 15.999 15 O 0.32291085473855 0.37987043333267 0.15156358615434 15.999 16 O 0.67708914526145 0.37987043333267 0.34843641384566 15.999 17 O 0.50000000000000 0.76216764247696 0.25000000000000 15.999 18 O 0.00000000000000 0.73783235752304 0.75000000000000 15.999 19 O 0.50000000000000 0.23783235752304 0.75000000000000 15.999 20 O 0.00000000000000 0.26216764247696 0.25000000000000 15.999 21 Na 0.59823619283978 0.76334753907333 0.55964449386870 22.990 22 Na 0.40176380716022 0.76334753907333 0.94035550613130 22.990 23 Na 0.09823619283978 0.73665246092667 0.44035550613130 22.990 24 Na 0.90176380716022 0.73665246092667 0.05964449386870 22.990 25 Na 0.40176380716022 0.23665246092667 0.44035550613130 22.990 26 Na 0.59823619283978 0.23665246092667 0.05964449386870 22.990 27 Na 0.90176380716022 0.26334753907333 0.55964449386870 22.990 28 Na 0.09823619283978 0.26334753907333 0.94035550613130 22.990 29 Si 0.60424163736498 0.70341331997542 0.34362832255088 28.085 30 Si 0.39575836263503 0.70341331997542 0.15637167744912 28.085 31 Si 0.10424163736498 0.79658668002458 0.65637167744912 28.085 32 Si 0.89575836263502 0.79658668002458 0.84362832255088 28.085 33 Si 0.39575836263503 0.29658668002458 0.65637167744912 28.085 34 Si 0.60424163736498 0.29658668002458 0.84362832255088 28.085 35 Si 0.89575836263502 0.20341331997542 0.34362832255088 28.085 36 Si 0.10424163736498 0.20341331997542 0.15637167744912 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.867550019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.817562819999997 0.000000000000000 c 0.000000000000000 0.000000000000000 15.512674269999998 Atomic positions (fractional): 1 O 0.47559394505493 0.13084563246528 0.07742391217209 15.999 > 1 2 O 0.97559394505493 0.13084563246528 0.07742391217209 15.999 > 1 3 O 0.47559394505493 0.63084563246528 0.07742391217209 15.999 > 1 4 O 0.97559394505493 0.63084563246528 0.07742391217209 15.999 > 1 5 O 0.02440605494507 0.13084563246528 0.42257608782791 15.999 > 5 6 O 0.52440605494507 0.13084563246528 0.42257608782791 15.999 > 5 7 O 0.02440605494507 0.63084563246528 0.42257608782791 15.999 > 5 8 O 0.52440605494507 0.63084563246528 0.42257608782791 15.999 > 5 9 O 0.22559394505493 0.11915436753472 0.92257608782791 15.999 > 9 10 O 0.72559394505493 0.11915436753472 0.92257608782791 15.999 > 9 11 O 0.22559394505493 0.61915436753472 0.92257608782791 15.999 > 9 12 O 0.72559394505493 0.61915436753472 0.92257608782791 15.999 > 9 13 O 0.27440605494507 0.11915436753472 0.57742391217209 15.999 > 13 14 O 0.77440605494507 0.11915436753472 0.57742391217209 15.999 > 13 15 O 0.27440605494507 0.61915436753472 0.57742391217209 15.999 > 13 16 O 0.77440605494507 0.61915436753472 0.57742391217209 15.999 > 13 17 O 0.02440605494507 0.36915436753472 0.92257608782791 15.999 > 17 18 O 0.52440605494507 0.36915436753472 0.92257608782791 15.999 > 17 19 O 0.02440605494507 0.86915436753472 0.92257608782791 15.999 > 17 20 O 0.52440605494507 0.86915436753472 0.92257608782791 15.999 > 17 21 O 0.47559394505493 0.36915436753472 0.57742391217209 15.999 > 21 22 O 0.97559394505493 0.36915436753472 0.57742391217209 15.999 > 21 23 O 0.47559394505493 0.86915436753472 0.57742391217209 15.999 > 21 24 O 0.97559394505493 0.86915436753472 0.57742391217209 15.999 > 21 25 O 0.27440605494507 0.38084563246528 0.07742391217209 15.999 > 25 26 O 0.77440605494507 0.38084563246528 0.07742391217209 15.999 > 25 27 O 0.27440605494507 0.88084563246528 0.07742391217209 15.999 > 25 28 O 0.77440605494507 0.88084563246528 0.07742391217209 15.999 > 25 29 O 0.22559394505493 0.38084563246528 0.42257608782791 15.999 > 29 30 O 0.72559394505493 0.38084563246528 0.42257608782791 15.999 > 29 31 O 0.22559394505493 0.88084563246528 0.42257608782791 15.999 > 29 32 O 0.72559394505493 0.88084563246528 0.42257608782791 15.999 > 29 33 O 0.08854457263073 0.43993521666634 0.15156358615434 15.999 > 33 34 O 0.58854457263073 0.43993521666634 0.15156358615434 15.999 > 33 35 O 0.08854457263073 0.93993521666634 0.15156358615434 15.999 > 33 36 O 0.58854457263073 0.93993521666634 0.15156358615434 15.999 > 33 37 O 0.41145542736927 0.43993521666634 0.34843641384566 15.999 > 37 38 O 0.91145542736927 0.43993521666634 0.34843641384566 15.999 > 37 39 O 0.41145542736927 0.93993521666634 0.34843641384566 15.999 > 37 40 O 0.91145542736927 0.93993521666634 0.34843641384566 15.999 > 37 41 O 0.33854457263073 0.31006478333366 0.84843641384566 15.999 > 41 42 O 0.83854457263073 0.31006478333366 0.84843641384566 15.999 > 41 43 O 0.33854457263073 0.81006478333366 0.84843641384566 15.999 > 41 44 O 0.83854457263073 0.81006478333366 0.84843641384566 15.999 > 41 45 O 0.16145542736927 0.31006478333366 0.65156358615434 15.999 > 45 46 O 0.66145542736927 0.31006478333366 0.65156358615434 15.999 > 45 47 O 0.16145542736927 0.81006478333366 0.65156358615434 15.999 > 45 48 O 0.66145542736927 0.81006478333366 0.65156358615434 15.999 > 45 49 O 0.41145542736927 0.06006478333366 0.84843641384566 15.999 > 49 50 O 0.91145542736927 0.06006478333366 0.84843641384566 15.999 > 49 51 O 0.41145542736927 0.56006478333366 0.84843641384566 15.999 > 49 52 O 0.91145542736927 0.56006478333366 0.84843641384566 15.999 > 49 53 O 0.08854457263073 0.06006478333366 0.65156358615434 15.999 > 53 54 O 0.58854457263073 0.06006478333366 0.65156358615434 15.999 > 53 55 O 0.08854457263073 0.56006478333366 0.65156358615434 15.999 > 53 56 O 0.58854457263073 0.56006478333366 0.65156358615434 15.999 > 53 57 O 0.16145542736927 0.18993521666634 0.15156358615434 15.999 > 57 58 O 0.66145542736927 0.18993521666634 0.15156358615434 15.999 > 57 59 O 0.16145542736927 0.68993521666634 0.15156358615434 15.999 > 57 60 O 0.66145542736927 0.68993521666634 0.15156358615434 15.999 > 57 61 O 0.33854457263073 0.18993521666634 0.34843641384566 15.999 > 61 62 O 0.83854457263073 0.18993521666634 0.34843641384566 15.999 > 61 63 O 0.33854457263073 0.68993521666634 0.34843641384566 15.999 > 61 64 O 0.83854457263073 0.68993521666634 0.34843641384566 15.999 > 61 65 O 0.25000000000000 0.38108382123848 0.25000000000000 15.999 > 65 66 O 0.75000000000000 0.38108382123848 0.25000000000000 15.999 > 65 67 O 0.25000000000000 0.88108382123848 0.25000000000000 15.999 > 65 68 O 0.75000000000000 0.88108382123848 0.25000000000000 15.999 > 65 69 O 0.00000000000000 0.36891617876152 0.75000000000000 15.999 > 69 70 O 0.50000000000000 0.36891617876152 0.75000000000000 15.999 > 69 71 O 0.00000000000000 0.86891617876152 0.75000000000000 15.999 > 69 72 O 0.50000000000000 0.86891617876152 0.75000000000000 15.999 > 69 73 O 0.25000000000000 0.11891617876152 0.75000000000000 15.999 > 73 74 O 0.75000000000000 0.11891617876152 0.75000000000000 15.999 > 73 75 O 0.25000000000000 0.61891617876152 0.75000000000000 15.999 > 73 76 O 0.75000000000000 0.61891617876152 0.75000000000000 15.999 > 73 77 O 0.00000000000000 0.13108382123848 0.25000000000000 15.999 > 77 78 O 0.50000000000000 0.13108382123848 0.25000000000000 15.999 > 77 79 O 0.00000000000000 0.63108382123848 0.25000000000000 15.999 > 77 80 O 0.50000000000000 0.63108382123848 0.25000000000000 15.999 > 77 81 Na 0.29911809641989 0.38167376953667 0.55964449386870 22.990 > 81 82 Na 0.79911809641989 0.38167376953667 0.55964449386870 22.990 > 81 83 Na 0.29911809641989 0.88167376953667 0.55964449386870 22.990 > 81 84 Na 0.79911809641989 0.88167376953667 0.55964449386870 22.990 > 81 85 Na 0.20088190358011 0.38167376953667 0.94035550613130 22.990 > 85 86 Na 0.70088190358011 0.38167376953667 0.94035550613130 22.990 > 85 87 Na 0.20088190358011 0.88167376953667 0.94035550613130 22.990 > 85 88 Na 0.70088190358011 0.88167376953667 0.94035550613130 22.990 > 85 89 Na 0.04911809641989 0.36832623046333 0.44035550613130 22.990 > 89 90 Na 0.54911809641989 0.36832623046333 0.44035550613130 22.990 > 89 91 Na 0.04911809641989 0.86832623046333 0.44035550613130 22.990 > 89 92 Na 0.54911809641989 0.86832623046333 0.44035550613130 22.990 > 89 93 Na 0.45088190358011 0.36832623046333 0.05964449386870 22.990 > 93 94 Na 0.95088190358011 0.36832623046333 0.05964449386870 22.990 > 93 95 Na 0.45088190358011 0.86832623046333 0.05964449386870 22.990 > 93 96 Na 0.95088190358011 0.86832623046333 0.05964449386870 22.990 > 93 97 Na 0.20088190358011 0.11832623046333 0.44035550613130 22.990 > 97 98 Na 0.70088190358011 0.11832623046333 0.44035550613130 22.990 > 97 99 Na 0.20088190358011 0.61832623046333 0.44035550613130 22.990 > 97 100 Na 0.70088190358011 0.61832623046333 0.44035550613130 22.990 > 97 101 Na 0.29911809641989 0.11832623046333 0.05964449386870 22.990 > 101 102 Na 0.79911809641989 0.11832623046333 0.05964449386870 22.990 > 101 103 Na 0.29911809641989 0.61832623046333 0.05964449386870 22.990 > 101 104 Na 0.79911809641989 0.61832623046333 0.05964449386870 22.990 > 101 105 Na 0.45088190358011 0.13167376953667 0.55964449386870 22.990 > 105 106 Na 0.95088190358011 0.13167376953667 0.55964449386870 22.990 > 105 107 Na 0.45088190358011 0.63167376953667 0.55964449386870 22.990 > 105 108 Na 0.95088190358011 0.63167376953667 0.55964449386870 22.990 > 105 109 Na 0.04911809641989 0.13167376953667 0.94035550613130 22.990 > 109 110 Na 0.54911809641989 0.13167376953667 0.94035550613130 22.990 > 109 111 Na 0.04911809641989 0.63167376953667 0.94035550613130 22.990 > 109 112 Na 0.54911809641989 0.63167376953667 0.94035550613130 22.990 > 109 113 Si 0.30212081868249 0.35170665998771 0.34362832255088 28.085 > 113 114 Si 0.80212081868249 0.35170665998771 0.34362832255088 28.085 > 113 115 Si 0.30212081868249 0.85170665998771 0.34362832255088 28.085 > 113 116 Si 0.80212081868249 0.85170665998771 0.34362832255088 28.085 > 113 117 Si 0.19787918131751 0.35170665998771 0.15637167744912 28.085 > 117 118 Si 0.69787918131751 0.35170665998771 0.15637167744912 28.085 > 117 119 Si 0.19787918131751 0.85170665998771 0.15637167744912 28.085 > 117 120 Si 0.69787918131751 0.85170665998771 0.15637167744912 28.085 > 117 121 Si 0.05212081868249 0.39829334001229 0.65637167744912 28.085 > 121 122 Si 0.55212081868249 0.39829334001229 0.65637167744912 28.085 > 121 123 Si 0.05212081868249 0.89829334001229 0.65637167744912 28.085 > 121 124 Si 0.55212081868249 0.89829334001229 0.65637167744912 28.085 > 121 125 Si 0.44787918131751 0.39829334001229 0.84362832255088 28.085 > 125 126 Si 0.94787918131751 0.39829334001229 0.84362832255088 28.085 > 125 127 Si 0.44787918131751 0.89829334001229 0.84362832255088 28.085 > 125 128 Si 0.94787918131751 0.89829334001229 0.84362832255088 28.085 > 125 129 Si 0.19787918131751 0.14829334001229 0.65637167744912 28.085 > 129 130 Si 0.69787918131751 0.14829334001229 0.65637167744912 28.085 > 129 131 Si 0.19787918131751 0.64829334001229 0.65637167744912 28.085 > 129 132 Si 0.69787918131751 0.64829334001229 0.65637167744912 28.085 > 129 133 Si 0.30212081868249 0.14829334001229 0.84362832255088 28.085 > 133 134 Si 0.80212081868249 0.14829334001229 0.84362832255088 28.085 > 133 135 Si 0.30212081868249 0.64829334001229 0.84362832255088 28.085 > 133 136 Si 0.80212081868249 0.64829334001229 0.84362832255088 28.085 > 133 137 Si 0.44787918131751 0.10170665998771 0.34362832255088 28.085 > 137 138 Si 0.94787918131751 0.10170665998771 0.34362832255088 28.085 > 137 139 Si 0.44787918131751 0.60170665998771 0.34362832255088 28.085 > 137 140 Si 0.94787918131751 0.60170665998771 0.34362832255088 28.085 > 137 141 Si 0.05212081868249 0.10170665998771 0.15637167744912 28.085 > 141 142 Si 0.55212081868249 0.10170665998771 0.15637167744912 28.085 > 141 143 Si 0.05212081868249 0.60170665998771 0.15637167744912 28.085 > 141 144 Si 0.55212081868249 0.60170665998771 0.15637167744912 28.085 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3528585 0.0000000 0.0000000 0.0000000 2.3829293 0.0000000 0.0000000 0.0000000 2.3769460 -------------------------- Born effective charges -------------------------- 1 O -1.5541809 0.0909136 -0.3249926 0.0223688 -1.3635321 0.0774963 -0.3183307 0.0810607 -1.6933733 2 O -1.5541809 -0.0909136 -0.3249926 -0.0223688 -1.3635321 -0.0774963 -0.3183307 -0.0810607 -1.6933733 3 O -1.5541809 -0.0909136 0.3249926 -0.0223688 -1.3635321 0.0774963 0.3183307 0.0810607 -1.6933733 4 O -1.5541809 0.0909136 0.3249926 0.0223688 -1.3635321 -0.0774963 0.3183307 -0.0810607 -1.6933733 5 O -1.5541809 0.0909136 -0.3249926 0.0223688 -1.3635321 0.0774963 -0.3183307 0.0810607 -1.6933733 6 O -1.5541809 -0.0909136 -0.3249926 -0.0223688 -1.3635321 -0.0774963 -0.3183307 -0.0810607 -1.6933733 7 O -1.5541809 -0.0909136 0.3249926 -0.0223688 -1.3635321 0.0774963 0.3183307 0.0810607 -1.6933733 8 O -1.5541809 0.0909136 0.3249926 0.0223688 -1.3635321 -0.0774963 0.3183307 -0.0810607 -1.6933733 9 O -1.7629404 0.7302640 -0.0403468 0.7966160 -2.2806394 -0.0123331 -0.0521581 -0.0435715 -1.0427971 10 O -1.7629404 -0.7302640 -0.0403468 -0.7966160 -2.2806394 0.0123331 -0.0521581 0.0435715 -1.0427971 11 O -1.7629404 -0.7302640 0.0403468 -0.7966160 -2.2806394 -0.0123331 0.0521581 -0.0435715 -1.0427971 12 O -1.7629404 0.7302640 0.0403468 0.7966160 -2.2806394 0.0123331 0.0521581 0.0435715 -1.0427971 13 O -1.7629404 0.7302640 -0.0403468 0.7966160 -2.2806394 -0.0123331 -0.0521581 -0.0435715 -1.0427971 14 O -1.7629404 -0.7302640 -0.0403468 -0.7966160 -2.2806394 0.0123331 -0.0521581 0.0435715 -1.0427971 15 O -1.7629404 -0.7302640 0.0403468 -0.7966160 -2.2806394 -0.0123331 0.0521581 -0.0435715 -1.0427971 16 O -1.7629404 0.7302640 0.0403468 0.7966160 -2.2806394 0.0123331 0.0521581 0.0435715 -1.0427971 17 O -1.4072125 0.0000000 -0.9550486 0.0000000 -1.0325923 0.0000000 -0.7398736 0.0000000 -2.7092806 18 O -1.4072125 0.0000000 0.9550486 0.0000000 -1.0325923 0.0000000 0.7398736 0.0000000 -2.7092806 19 O -1.4072125 0.0000000 -0.9550486 0.0000000 -1.0325923 0.0000000 -0.7398736 0.0000000 -2.7092806 20 O -1.4072125 0.0000000 0.9550486 0.0000000 -1.0325923 0.0000000 0.7398736 0.0000000 -2.7092806 21 Na 1.0470294 0.0145700 -0.0588525 0.0258896 1.0497115 -0.0105161 0.0120620 -0.0042265 1.0448511 22 Na 1.0470294 -0.0145700 -0.0588525 -0.0258896 1.0497115 0.0105161 0.0120620 0.0042265 1.0448511 23 Na 1.0470294 -0.0145700 0.0588525 -0.0258896 1.0497115 -0.0105161 -0.0120620 -0.0042265 1.0448511 24 Na 1.0470294 0.0145700 0.0588525 0.0258896 1.0497115 0.0105161 -0.0120620 0.0042265 1.0448511 25 Na 1.0470294 0.0145700 -0.0588525 0.0258896 1.0497115 -0.0105161 0.0120620 -0.0042265 1.0448511 26 Na 1.0470294 -0.0145700 -0.0588525 -0.0258896 1.0497115 0.0105161 0.0120620 0.0042265 1.0448511 27 Na 1.0470294 -0.0145700 0.0588525 -0.0258896 1.0497115 -0.0105161 -0.0120620 -0.0042265 1.0448511 28 Na 1.0470294 0.0145700 0.0588525 0.0258896 1.0497115 0.0105161 -0.0120620 0.0042265 1.0448511 29 Si 2.9736982 -0.2974476 0.2167876 0.2330498 3.1107562 0.0224583 0.1151756 -0.0857502 3.0459596 30 Si 2.9736982 0.2974476 0.2167876 -0.2330498 3.1107562 -0.0224583 0.1151756 0.0857502 3.0459596 31 Si 2.9736982 0.2974476 -0.2167876 -0.2330498 3.1107562 0.0224583 -0.1151756 -0.0857502 3.0459596 32 Si 2.9736982 -0.2974476 -0.2167876 0.2330498 3.1107562 -0.0224583 -0.1151756 0.0857502 3.0459596 33 Si 2.9736982 -0.2974476 0.2167876 0.2330498 3.1107562 0.0224583 0.1151756 -0.0857502 3.0459596 34 Si 2.9736982 0.2974476 0.2167876 -0.2330498 3.1107562 -0.0224583 0.1151756 0.0857502 3.0459596 35 Si 2.9736982 0.2974476 -0.2167876 -0.2330498 3.1107562 0.0224583 -0.1151756 -0.0857502 3.0459596 36 Si 2.9736982 -0.2974476 -0.2167876 0.2330498 3.1107562 -0.0224583 -0.1151756 0.0857502 3.0459596 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) 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 02:43:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:43:04]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.433775010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.908781409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.512674269999998 Atomic positions (fractional): 1 O 0.95118789010986 0.26169126493056 0.07742391217209 15.999 2 O 0.04881210989014 0.26169126493056 0.42257608782791 15.999 3 O 0.45118789010986 0.23830873506944 0.92257608782791 15.999 4 O 0.54881210989014 0.23830873506944 0.57742391217209 15.999 5 O 0.04881210989014 0.73830873506944 0.92257608782791 15.999 6 O 0.95118789010986 0.73830873506944 0.57742391217209 15.999 7 O 0.54881210989014 0.76169126493056 0.07742391217209 15.999 8 O 0.45118789010986 0.76169126493056 0.42257608782791 15.999 9 O 0.17708914526145 0.87987043333267 0.15156358615434 15.999 10 O 0.82291085473855 0.87987043333267 0.34843641384566 15.999 11 O 0.67708914526145 0.62012956666733 0.84843641384566 15.999 12 O 0.32291085473855 0.62012956666733 0.65156358615434 15.999 13 O 0.82291085473855 0.12012956666733 0.84843641384566 15.999 14 O 0.17708914526145 0.12012956666733 0.65156358615434 15.999 15 O 0.32291085473855 0.37987043333267 0.15156358615434 15.999 16 O 0.67708914526145 0.37987043333267 0.34843641384566 15.999 17 O 0.50000000000000 0.76216764247696 0.25000000000000 15.999 18 O 0.00000000000000 0.73783235752304 0.75000000000000 15.999 19 O 0.50000000000000 0.23783235752304 0.75000000000000 15.999 20 O 0.00000000000000 0.26216764247696 0.25000000000000 15.999 21 Na 0.59823619283978 0.76334753907333 0.55964449386870 22.990 22 Na 0.40176380716022 0.76334753907333 0.94035550613130 22.990 23 Na 0.09823619283978 0.73665246092667 0.44035550613130 22.990 24 Na 0.90176380716022 0.73665246092667 0.05964449386870 22.990 25 Na 0.40176380716022 0.23665246092667 0.44035550613130 22.990 26 Na 0.59823619283978 0.23665246092667 0.05964449386870 22.990 27 Na 0.90176380716022 0.26334753907333 0.55964449386870 22.990 28 Na 0.09823619283978 0.26334753907333 0.94035550613130 22.990 29 Si 0.60424163736498 0.70341331997542 0.34362832255088 28.085 30 Si 0.39575836263503 0.70341331997542 0.15637167744912 28.085 31 Si 0.10424163736498 0.79658668002458 0.65637167744912 28.085 32 Si 0.89575836263502 0.79658668002458 0.84362832255088 28.085 33 Si 0.39575836263503 0.29658668002458 0.65637167744912 28.085 34 Si 0.60424163736498 0.29658668002458 0.84362832255088 28.085 35 Si 0.89575836263502 0.20341331997542 0.34362832255088 28.085 36 Si 0.10424163736498 0.20341331997542 0.15637167744912 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.867550019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.817562819999997 0.000000000000000 c 0.000000000000000 0.000000000000000 15.512674269999998 Atomic positions (fractional): 1 O 0.47559394505493 0.13084563246528 0.07742391217209 15.999 > 1 2 O 0.97559394505493 0.13084563246528 0.07742391217209 15.999 > 1 3 O 0.47559394505493 0.63084563246528 0.07742391217209 15.999 > 1 4 O 0.97559394505493 0.63084563246528 0.07742391217209 15.999 > 1 5 O 0.02440605494507 0.13084563246528 0.42257608782791 15.999 > 5 6 O 0.52440605494507 0.13084563246528 0.42257608782791 15.999 > 5 7 O 0.02440605494507 0.63084563246528 0.42257608782791 15.999 > 5 8 O 0.52440605494507 0.63084563246528 0.42257608782791 15.999 > 5 9 O 0.22559394505493 0.11915436753472 0.92257608782791 15.999 > 9 10 O 0.72559394505493 0.11915436753472 0.92257608782791 15.999 > 9 11 O 0.22559394505493 0.61915436753472 0.92257608782791 15.999 > 9 12 O 0.72559394505493 0.61915436753472 0.92257608782791 15.999 > 9 13 O 0.27440605494507 0.11915436753472 0.57742391217209 15.999 > 13 14 O 0.77440605494507 0.11915436753472 0.57742391217209 15.999 > 13 15 O 0.27440605494507 0.61915436753472 0.57742391217209 15.999 > 13 16 O 0.77440605494507 0.61915436753472 0.57742391217209 15.999 > 13 17 O 0.02440605494507 0.36915436753472 0.92257608782791 15.999 > 17 18 O 0.52440605494507 0.36915436753472 0.92257608782791 15.999 > 17 19 O 0.02440605494507 0.86915436753472 0.92257608782791 15.999 > 17 20 O 0.52440605494507 0.86915436753472 0.92257608782791 15.999 > 17 21 O 0.47559394505493 0.36915436753472 0.57742391217209 15.999 > 21 22 O 0.97559394505493 0.36915436753472 0.57742391217209 15.999 > 21 23 O 0.47559394505493 0.86915436753472 0.57742391217209 15.999 > 21 24 O 0.97559394505493 0.86915436753472 0.57742391217209 15.999 > 21 25 O 0.27440605494507 0.38084563246528 0.07742391217209 15.999 > 25 26 O 0.77440605494507 0.38084563246528 0.07742391217209 15.999 > 25 27 O 0.27440605494507 0.88084563246528 0.07742391217209 15.999 > 25 28 O 0.77440605494507 0.88084563246528 0.07742391217209 15.999 > 25 29 O 0.22559394505493 0.38084563246528 0.42257608782791 15.999 > 29 30 O 0.72559394505493 0.38084563246528 0.42257608782791 15.999 > 29 31 O 0.22559394505493 0.88084563246528 0.42257608782791 15.999 > 29 32 O 0.72559394505493 0.88084563246528 0.42257608782791 15.999 > 29 33 O 0.08854457263073 0.43993521666634 0.15156358615434 15.999 > 33 34 O 0.58854457263073 0.43993521666634 0.15156358615434 15.999 > 33 35 O 0.08854457263073 0.93993521666634 0.15156358615434 15.999 > 33 36 O 0.58854457263073 0.93993521666634 0.15156358615434 15.999 > 33 37 O 0.41145542736927 0.43993521666634 0.34843641384566 15.999 > 37 38 O 0.91145542736927 0.43993521666634 0.34843641384566 15.999 > 37 39 O 0.41145542736927 0.93993521666634 0.34843641384566 15.999 > 37 40 O 0.91145542736927 0.93993521666634 0.34843641384566 15.999 > 37 41 O 0.33854457263073 0.31006478333366 0.84843641384566 15.999 > 41 42 O 0.83854457263073 0.31006478333366 0.84843641384566 15.999 > 41 43 O 0.33854457263073 0.81006478333366 0.84843641384566 15.999 > 41 44 O 0.83854457263073 0.81006478333366 0.84843641384566 15.999 > 41 45 O 0.16145542736927 0.31006478333366 0.65156358615434 15.999 > 45 46 O 0.66145542736927 0.31006478333366 0.65156358615434 15.999 > 45 47 O 0.16145542736927 0.81006478333366 0.65156358615434 15.999 > 45 48 O 0.66145542736927 0.81006478333366 0.65156358615434 15.999 > 45 49 O 0.41145542736927 0.06006478333366 0.84843641384566 15.999 > 49 50 O 0.91145542736927 0.06006478333366 0.84843641384566 15.999 > 49 51 O 0.41145542736927 0.56006478333366 0.84843641384566 15.999 > 49 52 O 0.91145542736927 0.56006478333366 0.84843641384566 15.999 > 49 53 O 0.08854457263073 0.06006478333366 0.65156358615434 15.999 > 53 54 O 0.58854457263073 0.06006478333366 0.65156358615434 15.999 > 53 55 O 0.08854457263073 0.56006478333366 0.65156358615434 15.999 > 53 56 O 0.58854457263073 0.56006478333366 0.65156358615434 15.999 > 53 57 O 0.16145542736927 0.18993521666634 0.15156358615434 15.999 > 57 58 O 0.66145542736927 0.18993521666634 0.15156358615434 15.999 > 57 59 O 0.16145542736927 0.68993521666634 0.15156358615434 15.999 > 57 60 O 0.66145542736927 0.68993521666634 0.15156358615434 15.999 > 57 61 O 0.33854457263073 0.18993521666634 0.34843641384566 15.999 > 61 62 O 0.83854457263073 0.18993521666634 0.34843641384566 15.999 > 61 63 O 0.33854457263073 0.68993521666634 0.34843641384566 15.999 > 61 64 O 0.83854457263073 0.68993521666634 0.34843641384566 15.999 > 61 65 O 0.25000000000000 0.38108382123848 0.25000000000000 15.999 > 65 66 O 0.75000000000000 0.38108382123848 0.25000000000000 15.999 > 65 67 O 0.25000000000000 0.88108382123848 0.25000000000000 15.999 > 65 68 O 0.75000000000000 0.88108382123848 0.25000000000000 15.999 > 65 69 O 0.00000000000000 0.36891617876152 0.75000000000000 15.999 > 69 70 O 0.50000000000000 0.36891617876152 0.75000000000000 15.999 > 69 71 O 0.00000000000000 0.86891617876152 0.75000000000000 15.999 > 69 72 O 0.50000000000000 0.86891617876152 0.75000000000000 15.999 > 69 73 O 0.25000000000000 0.11891617876152 0.75000000000000 15.999 > 73 74 O 0.75000000000000 0.11891617876152 0.75000000000000 15.999 > 73 75 O 0.25000000000000 0.61891617876152 0.75000000000000 15.999 > 73 76 O 0.75000000000000 0.61891617876152 0.75000000000000 15.999 > 73 77 O 0.00000000000000 0.13108382123848 0.25000000000000 15.999 > 77 78 O 0.50000000000000 0.13108382123848 0.25000000000000 15.999 > 77 79 O 0.00000000000000 0.63108382123848 0.25000000000000 15.999 > 77 80 O 0.50000000000000 0.63108382123848 0.25000000000000 15.999 > 77 81 Na 0.29911809641989 0.38167376953667 0.55964449386870 22.990 > 81 82 Na 0.79911809641989 0.38167376953667 0.55964449386870 22.990 > 81 83 Na 0.29911809641989 0.88167376953667 0.55964449386870 22.990 > 81 84 Na 0.79911809641989 0.88167376953667 0.55964449386870 22.990 > 81 85 Na 0.20088190358011 0.38167376953667 0.94035550613130 22.990 > 85 86 Na 0.70088190358011 0.38167376953667 0.94035550613130 22.990 > 85 87 Na 0.20088190358011 0.88167376953667 0.94035550613130 22.990 > 85 88 Na 0.70088190358011 0.88167376953667 0.94035550613130 22.990 > 85 89 Na 0.04911809641989 0.36832623046333 0.44035550613130 22.990 > 89 90 Na 0.54911809641989 0.36832623046333 0.44035550613130 22.990 > 89 91 Na 0.04911809641989 0.86832623046333 0.44035550613130 22.990 > 89 92 Na 0.54911809641989 0.86832623046333 0.44035550613130 22.990 > 89 93 Na 0.45088190358011 0.36832623046333 0.05964449386870 22.990 > 93 94 Na 0.95088190358011 0.36832623046333 0.05964449386870 22.990 > 93 95 Na 0.45088190358011 0.86832623046333 0.05964449386870 22.990 > 93 96 Na 0.95088190358011 0.86832623046333 0.05964449386870 22.990 > 93 97 Na 0.20088190358011 0.11832623046333 0.44035550613130 22.990 > 97 98 Na 0.70088190358011 0.11832623046333 0.44035550613130 22.990 > 97 99 Na 0.20088190358011 0.61832623046333 0.44035550613130 22.990 > 97 100 Na 0.70088190358011 0.61832623046333 0.44035550613130 22.990 > 97 101 Na 0.29911809641989 0.11832623046333 0.05964449386870 22.990 > 101 102 Na 0.79911809641989 0.11832623046333 0.05964449386870 22.990 > 101 103 Na 0.29911809641989 0.61832623046333 0.05964449386870 22.990 > 101 104 Na 0.79911809641989 0.61832623046333 0.05964449386870 22.990 > 101 105 Na 0.45088190358011 0.13167376953667 0.55964449386870 22.990 > 105 106 Na 0.95088190358011 0.13167376953667 0.55964449386870 22.990 > 105 107 Na 0.45088190358011 0.63167376953667 0.55964449386870 22.990 > 105 108 Na 0.95088190358011 0.63167376953667 0.55964449386870 22.990 > 105 109 Na 0.04911809641989 0.13167376953667 0.94035550613130 22.990 > 109 110 Na 0.54911809641989 0.13167376953667 0.94035550613130 22.990 > 109 111 Na 0.04911809641989 0.63167376953667 0.94035550613130 22.990 > 109 112 Na 0.54911809641989 0.63167376953667 0.94035550613130 22.990 > 109 113 Si 0.30212081868249 0.35170665998771 0.34362832255088 28.085 > 113 114 Si 0.80212081868249 0.35170665998771 0.34362832255088 28.085 > 113 115 Si 0.30212081868249 0.85170665998771 0.34362832255088 28.085 > 113 116 Si 0.80212081868249 0.85170665998771 0.34362832255088 28.085 > 113 117 Si 0.19787918131751 0.35170665998771 0.15637167744912 28.085 > 117 118 Si 0.69787918131751 0.35170665998771 0.15637167744912 28.085 > 117 119 Si 0.19787918131751 0.85170665998771 0.15637167744912 28.085 > 117 120 Si 0.69787918131751 0.85170665998771 0.15637167744912 28.085 > 117 121 Si 0.05212081868249 0.39829334001229 0.65637167744912 28.085 > 121 122 Si 0.55212081868249 0.39829334001229 0.65637167744912 28.085 > 121 123 Si 0.05212081868249 0.89829334001229 0.65637167744912 28.085 > 121 124 Si 0.55212081868249 0.89829334001229 0.65637167744912 28.085 > 121 125 Si 0.44787918131751 0.39829334001229 0.84362832255088 28.085 > 125 126 Si 0.94787918131751 0.39829334001229 0.84362832255088 28.085 > 125 127 Si 0.44787918131751 0.89829334001229 0.84362832255088 28.085 > 125 128 Si 0.94787918131751 0.89829334001229 0.84362832255088 28.085 > 125 129 Si 0.19787918131751 0.14829334001229 0.65637167744912 28.085 > 129 130 Si 0.69787918131751 0.14829334001229 0.65637167744912 28.085 > 129 131 Si 0.19787918131751 0.64829334001229 0.65637167744912 28.085 > 129 132 Si 0.69787918131751 0.64829334001229 0.65637167744912 28.085 > 129 133 Si 0.30212081868249 0.14829334001229 0.84362832255088 28.085 > 133 134 Si 0.80212081868249 0.14829334001229 0.84362832255088 28.085 > 133 135 Si 0.30212081868249 0.64829334001229 0.84362832255088 28.085 > 133 136 Si 0.80212081868249 0.64829334001229 0.84362832255088 28.085 > 133 137 Si 0.44787918131751 0.10170665998771 0.34362832255088 28.085 > 137 138 Si 0.94787918131751 0.10170665998771 0.34362832255088 28.085 > 137 139 Si 0.44787918131751 0.60170665998771 0.34362832255088 28.085 > 137 140 Si 0.94787918131751 0.60170665998771 0.34362832255088 28.085 > 137 141 Si 0.05212081868249 0.10170665998771 0.15637167744912 28.085 > 141 142 Si 0.55212081868249 0.10170665998771 0.15637167744912 28.085 > 141 143 Si 0.05212081868249 0.60170665998771 0.15637167744912 28.085 > 141 144 Si 0.55212081868249 0.60170665998771 0.15637167744912 28.085 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3528585 0.0000000 0.0000000 0.0000000 2.3829293 0.0000000 0.0000000 0.0000000 2.3769460 -------------------------- Born effective charges -------------------------- 1 O -1.5541809 0.0909136 -0.3249926 0.0223688 -1.3635321 0.0774963 -0.3183307 0.0810607 -1.6933733 2 O -1.5541809 -0.0909136 -0.3249926 -0.0223688 -1.3635321 -0.0774963 -0.3183307 -0.0810607 -1.6933733 3 O -1.5541809 -0.0909136 0.3249926 -0.0223688 -1.3635321 0.0774963 0.3183307 0.0810607 -1.6933733 4 O -1.5541809 0.0909136 0.3249926 0.0223688 -1.3635321 -0.0774963 0.3183307 -0.0810607 -1.6933733 5 O -1.5541809 0.0909136 -0.3249926 0.0223688 -1.3635321 0.0774963 -0.3183307 0.0810607 -1.6933733 6 O -1.5541809 -0.0909136 -0.3249926 -0.0223688 -1.3635321 -0.0774963 -0.3183307 -0.0810607 -1.6933733 7 O -1.5541809 -0.0909136 0.3249926 -0.0223688 -1.3635321 0.0774963 0.3183307 0.0810607 -1.6933733 8 O -1.5541809 0.0909136 0.3249926 0.0223688 -1.3635321 -0.0774963 0.3183307 -0.0810607 -1.6933733 9 O -1.7629404 0.7302640 -0.0403468 0.7966160 -2.2806394 -0.0123331 -0.0521581 -0.0435715 -1.0427971 10 O -1.7629404 -0.7302640 -0.0403468 -0.7966160 -2.2806394 0.0123331 -0.0521581 0.0435715 -1.0427971 11 O -1.7629404 -0.7302640 0.0403468 -0.7966160 -2.2806394 -0.0123331 0.0521581 -0.0435715 -1.0427971 12 O -1.7629404 0.7302640 0.0403468 0.7966160 -2.2806394 0.0123331 0.0521581 0.0435715 -1.0427971 13 O -1.7629404 0.7302640 -0.0403468 0.7966160 -2.2806394 -0.0123331 -0.0521581 -0.0435715 -1.0427971 14 O -1.7629404 -0.7302640 -0.0403468 -0.7966160 -2.2806394 0.0123331 -0.0521581 0.0435715 -1.0427971 15 O -1.7629404 -0.7302640 0.0403468 -0.7966160 -2.2806394 -0.0123331 0.0521581 -0.0435715 -1.0427971 16 O -1.7629404 0.7302640 0.0403468 0.7966160 -2.2806394 0.0123331 0.0521581 0.0435715 -1.0427971 17 O -1.4072125 0.0000000 -0.9550486 0.0000000 -1.0325923 0.0000000 -0.7398736 0.0000000 -2.7092806 18 O -1.4072125 0.0000000 0.9550486 0.0000000 -1.0325923 0.0000000 0.7398736 0.0000000 -2.7092806 19 O -1.4072125 0.0000000 -0.9550486 0.0000000 -1.0325923 0.0000000 -0.7398736 0.0000000 -2.7092806 20 O -1.4072125 0.0000000 0.9550486 0.0000000 -1.0325923 0.0000000 0.7398736 0.0000000 -2.7092806 21 Na 1.0470294 0.0145700 -0.0588525 0.0258896 1.0497115 -0.0105161 0.0120620 -0.0042265 1.0448511 22 Na 1.0470294 -0.0145700 -0.0588525 -0.0258896 1.0497115 0.0105161 0.0120620 0.0042265 1.0448511 23 Na 1.0470294 -0.0145700 0.0588525 -0.0258896 1.0497115 -0.0105161 -0.0120620 -0.0042265 1.0448511 24 Na 1.0470294 0.0145700 0.0588525 0.0258896 1.0497115 0.0105161 -0.0120620 0.0042265 1.0448511 25 Na 1.0470294 0.0145700 -0.0588525 0.0258896 1.0497115 -0.0105161 0.0120620 -0.0042265 1.0448511 26 Na 1.0470294 -0.0145700 -0.0588525 -0.0258896 1.0497115 0.0105161 0.0120620 0.0042265 1.0448511 27 Na 1.0470294 -0.0145700 0.0588525 -0.0258896 1.0497115 -0.0105161 -0.0120620 -0.0042265 1.0448511 28 Na 1.0470294 0.0145700 0.0588525 0.0258896 1.0497115 0.0105161 -0.0120620 0.0042265 1.0448511 29 Si 2.9736982 -0.2974476 0.2167876 0.2330498 3.1107562 0.0224583 0.1151756 -0.0857502 3.0459596 30 Si 2.9736982 0.2974476 0.2167876 -0.2330498 3.1107562 -0.0224583 0.1151756 0.0857502 3.0459596 31 Si 2.9736982 0.2974476 -0.2167876 -0.2330498 3.1107562 0.0224583 -0.1151756 -0.0857502 3.0459596 32 Si 2.9736982 -0.2974476 -0.2167876 0.2330498 3.1107562 -0.0224583 -0.1151756 0.0857502 3.0459596 33 Si 2.9736982 -0.2974476 0.2167876 0.2330498 3.1107562 0.0224583 0.1151756 -0.0857502 3.0459596 34 Si 2.9736982 0.2974476 0.2167876 -0.2330498 3.1107562 -0.0224583 0.1151756 0.0857502 3.0459596 35 Si 2.9736982 0.2974476 -0.2167876 -0.2330498 3.1107562 0.0224583 -0.1151756 -0.0857502 3.0459596 36 Si 2.9736982 -0.2974476 -0.2167876 0.2330498 3.1107562 -0.0224583 -0.1151756 0.0857502 3.0459596 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 10 3 ] 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: 0.53, Number of G-points: 311, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 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 1.159 ( 0.000 0.000 0.000) 0.000 1.411 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.803 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 5.877 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.617 ( 0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 0.000) 0.000 6.673 ( 0.000 0.000 0.000) 0.000 6.723 ( 0.000 0.000 0.000) 0.000 6.732 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 6.911 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 7.872 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 10.025 ( 0.000 0.000 0.000) 0.000 10.035 ( 0.000 0.000 0.000) 0.000 10.035 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.322 ( 0.000 0.000 0.000) 0.000 10.438 ( 0.000 0.000 0.000) 0.000 10.579 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.772 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 11.085 ( 0.000 0.000 0.000) 0.000 11.220 ( 0.000 0.000 0.000) 0.000 11.606 ( 0.000 0.000 0.000) 0.000 11.612 ( 0.000 0.000 0.000) 0.000 11.747 ( 0.000 0.000 0.000) 0.000 13.366 ( 0.000 0.000 0.000) 0.000 13.506 ( 0.000 0.000 0.000) 0.000 13.513 ( 0.000 0.000 0.000) 0.000 13.556 ( 0.000 0.000 0.000) 0.000 14.286 ( 0.000 0.000 0.000) 0.000 14.380 ( 0.000 0.000 0.000) 0.000 14.444 ( 0.000 0.000 0.000) 0.000 14.486 ( 0.000 0.000 0.000) 0.000 14.542 ( 0.000 0.000 0.000) 0.000 14.806 ( 0.000 0.000 0.000) 0.000 14.895 ( 0.000 0.000 0.000) 0.000 15.018 ( 0.000 0.000 0.000) 0.000 17.073 ( 0.000 0.000 0.000) 0.000 17.462 ( 0.000 0.000 0.000) 0.000 19.221 ( 0.000 0.000 0.000) 0.000 19.259 ( 0.000 0.000 0.000) 0.000 21.679 ( 0.000 0.000 0.000) 0.000 21.696 ( 0.000 0.000 0.000) 0.000 22.000 ( 0.000 0.000 0.000) 0.000 22.025 ( 0.000 0.000 0.000) 0.000 22.305 ( 0.000 0.000 0.000) 0.000 22.417 ( 0.000 0.000 0.000) 0.000 28.378 ( 0.000 0.000 0.000) 0.000 28.491 ( 0.000 0.000 0.000) 0.000 28.495 ( 0.000 0.000 0.000) 0.000 28.510 ( 0.000 0.000 0.000) 0.000 28.556 ( 0.000 0.000 0.000) 0.000 28.559 ( 0.000 0.000 0.000) 0.000 29.479 ( 0.000 0.000 0.000) 0.000 29.678 ( 0.000 0.000 0.000) 0.000 29.889 ( 0.000 0.000 0.000) 0.000 30.026 ( 0.000 0.000 0.000) 0.000 30.192 ( 0.000 0.000 0.000) 0.000 30.847 ( 0.000 0.000 0.000) 0.000 31.158 ( 0.000 0.000 0.000) 0.000 31.347 ( 0.000 0.000 0.000) 0.000 31.415 ( 0.000 0.000 0.000) 0.000 31.612 ( 0.000 0.000 0.000) 0.000 33.179 ( 0.000 0.000 0.000) 0.000 33.329 ( 0.000 0.000 0.000) 0.000 34.433 ( 0.000 0.000 0.000) 0.000 36.597 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 31.385 0.000 0.000) 31.385 0.901 ( 45.741 0.000 0.000) 45.741 1.117 ( 6.160 0.000 0.000) 6.160 1.314 ( 56.522 0.000 0.000) 56.522 1.714 ( 27.433 0.000 0.000) 27.433 1.834 ( -32.090 0.000 0.000) 32.090 2.002 ( -14.987 0.000 0.000) 14.987 2.231 ( 13.309 0.000 0.000) 13.309 2.869 ( -1.444 0.000 0.000) 1.444 2.979 ( -27.320 0.000 0.000) 27.320 3.406 ( 10.094 0.000 0.000) 10.094 3.630 ( 18.277 0.000 0.000) 18.277 3.764 ( 2.493 0.000 0.000) 2.493 4.047 ( -2.199 0.000 0.000) 2.199 4.347 ( -9.617 0.000 0.000) 9.617 4.585 ( 10.447 0.000 0.000) 10.447 4.681 ( -17.436 0.000 0.000) 17.436 4.805 ( -8.455 0.000 0.000) 8.455 4.854 ( 5.736 0.000 0.000) 5.736 4.872 ( 9.454 0.000 0.000) 9.454 5.002 ( -20.254 0.000 0.000) 20.254 5.027 ( 10.014 0.000 0.000) 10.014 5.176 ( 5.424 0.000 0.000) 5.424 5.390 ( -12.459 0.000 0.000) 12.459 5.569 ( 4.089 0.000 0.000) 4.089 5.595 ( 4.707 0.000 0.000) 4.707 5.687 ( -6.693 0.000 0.000) 6.693 5.900 ( -1.355 0.000 0.000) 1.355 5.907 ( 1.382 0.000 0.000) 1.382 5.959 ( 3.153 0.000 0.000) 3.153 6.028 ( -0.399 0.000 0.000) 0.399 6.266 ( -9.858 0.000 0.000) 9.858 6.375 ( 4.667 0.000 0.000) 4.667 6.405 ( -13.674 0.000 0.000) 13.674 6.490 ( 18.155 0.000 0.000) 18.155 6.603 ( -2.011 0.000 0.000) 2.011 6.634 ( 4.633 0.000 0.000) 4.633 6.750 ( 2.874 0.000 0.000) 2.874 6.760 ( -0.009 0.000 0.000) 0.009 6.897 ( 2.673 0.000 0.000) 2.673 7.056 ( 6.096 0.000 0.000) 6.096 7.191 ( 11.832 0.000 0.000) 11.832 7.671 ( -12.383 0.000 0.000) 12.383 7.809 ( -6.717 0.000 0.000) 6.717 7.882 ( 4.992 0.000 0.000) 4.992 8.106 ( -4.543 0.000 0.000) 4.543 8.116 ( 1.765 0.000 0.000) 1.765 8.129 ( 4.687 0.000 0.000) 4.687 8.169 ( -4.363 0.000 0.000) 4.363 8.438 ( -13.659 0.000 0.000) 13.659 9.939 ( -5.102 0.000 0.000) 5.102 10.001 ( -2.250 0.000 0.000) 2.250 10.022 ( -0.897 0.000 0.000) 0.897 10.083 ( -15.483 0.000 0.000) 15.483 10.173 ( 5.884 0.000 0.000) 5.884 10.498 ( -21.883 0.000 0.000) 21.883 10.543 ( -21.771 0.000 0.000) 21.771 10.580 ( 2.519 0.000 0.000) 2.519 10.615 ( -0.761 0.000 0.000) 0.761 10.730 ( 10.845 0.000 0.000) 10.845 11.030 ( 10.314 0.000 0.000) 10.314 11.086 ( 1.556 0.000 0.000) 1.556 11.449 ( 15.682 0.000 0.000) 15.682 11.728 ( 11.260 0.000 0.000) 11.260 11.904 ( 12.246 0.000 0.000) 12.246 12.415 ( 2.107 0.000 0.000) 2.107 13.330 ( -3.587 0.000 0.000) 3.587 13.493 ( -1.038 0.000 0.000) 1.038 13.511 ( 0.586 0.000 0.000) 0.586 13.532 ( -2.394 0.000 0.000) 2.394 14.288 ( -0.395 0.000 0.000) 0.395 14.347 ( -6.459 0.000 0.000) 6.459 14.438 ( 2.405 0.000 0.000) 2.405 14.562 ( 1.244 0.000 0.000) 1.244 14.728 ( -7.372 0.000 0.000) 7.372 14.879 ( -1.474 0.000 0.000) 1.474 15.093 ( 7.600 0.000 0.000) 7.600 15.250 ( 6.638 0.000 0.000) 6.638 16.937 ( -12.814 0.000 0.000) 12.814 17.177 ( -23.959 0.000 0.000) 23.959 19.448 ( 18.095 0.000 0.000) 18.095 19.547 ( 27.941 0.000 0.000) 27.941 21.704 ( 0.436 0.000 0.000) 0.436 21.975 ( -2.034 0.000 0.000) 2.034 22.001 ( 0.062 0.000 0.000) 0.062 22.026 ( 0.026 0.000 0.000) 0.026 22.223 ( -7.838 0.000 0.000) 7.838 22.317 ( -9.424 0.000 0.000) 9.424 28.473 ( 3.614 0.000 0.000) 3.614 28.491 ( 0.042 0.000 0.000) 0.042 28.505 ( -0.370 0.000 0.000) 0.370 28.523 ( 1.298 0.000 0.000) 1.298 28.567 ( 1.826 0.000 0.000) 1.826 28.593 ( 4.860 0.000 0.000) 4.860 29.528 ( 4.574 0.000 0.000) 4.574 29.689 ( 0.082 0.000 0.000) 0.082 30.138 ( -3.752 0.000 0.000) 3.752 30.141 ( 9.809 0.000 0.000) 9.809 30.552 ( -20.143 0.000 0.000) 20.143 31.335 ( -7.873 0.000 0.000) 7.873 31.404 ( 15.474 0.000 0.000) 15.474 31.465 ( 11.124 0.000 0.000) 11.124 31.607 ( 0.117 0.000 0.000) 0.117 32.921 ( -4.195 0.000 0.000) 4.195 33.254 ( 5.582 0.000 0.000) 5.582 33.424 ( 9.493 0.000 0.000) 9.493 34.383 ( -5.003 0.000 0.000) 5.003 36.349 ( -23.842 0.000 0.000) 23.842 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -3.959 0.000 0.000) 3.959 1.219 ( 31.270 0.000 0.000) 31.270 1.348 ( -12.140 0.000 0.000) 12.140 1.734 ( -13.808 0.000 0.000) 13.808 1.758 ( 41.710 0.000 0.000) 41.710 2.328 ( 33.042 0.000 0.000) 33.042 2.418 ( -22.329 0.000 0.000) 22.329 2.494 ( 43.118 0.000 0.000) 43.118 2.545 ( 30.689 0.000 0.000) 30.689 2.760 ( -2.376 0.000 0.000) 2.376 3.705 ( 13.330 0.000 0.000) 13.330 3.830 ( 3.402 0.000 0.000) 3.402 3.987 ( -27.144 0.000 0.000) 27.144 4.033 ( 1.131 0.000 0.000) 1.131 4.069 ( 23.226 0.000 0.000) 23.226 4.158 ( -33.969 0.000 0.000) 33.969 4.517 ( -8.394 0.000 0.000) 8.394 4.545 ( -17.736 0.000 0.000) 17.736 4.632 ( -15.755 0.000 0.000) 15.755 4.794 ( -7.537 0.000 0.000) 7.537 4.892 ( -12.167 0.000 0.000) 12.167 5.194 ( -7.435 0.000 0.000) 7.435 5.278 ( 9.692 0.000 0.000) 9.692 5.564 ( 28.083 0.000 0.000) 28.083 5.629 ( 0.854 0.000 0.000) 0.854 5.648 ( 4.273 0.000 0.000) 4.273 5.752 ( 1.769 0.000 0.000) 1.769 5.878 ( -5.355 0.000 0.000) 5.355 5.914 ( -10.905 0.000 0.000) 10.905 5.920 ( 14.199 0.000 0.000) 14.199 6.014 ( 3.372 0.000 0.000) 3.372 6.242 ( 6.183 0.000 0.000) 6.183 6.266 ( 0.344 0.000 0.000) 0.344 6.556 ( -2.438 0.000 0.000) 2.438 6.566 ( 14.331 0.000 0.000) 14.331 6.582 ( -0.363 0.000 0.000) 0.363 6.672 ( -6.247 0.000 0.000) 6.247 6.838 ( 5.713 0.000 0.000) 5.713 6.956 ( 3.085 0.000 0.000) 3.085 7.008 ( 22.109 0.000 0.000) 22.109 7.193 ( 6.065 0.000 0.000) 6.065 7.259 ( -3.217 0.000 0.000) 3.217 7.315 ( -23.702 0.000 0.000) 23.702 7.599 ( -14.697 0.000 0.000) 14.697 7.977 ( -8.221 0.000 0.000) 8.221 8.055 ( 10.549 0.000 0.000) 10.549 8.097 ( -2.026 0.000 0.000) 2.026 8.132 ( -1.117 0.000 0.000) 1.117 8.179 ( -8.452 0.000 0.000) 8.452 8.212 ( 3.586 0.000 0.000) 3.586 9.777 ( -18.021 0.000 0.000) 18.021 9.820 ( -11.513 0.000 0.000) 11.513 9.994 ( 1.109 0.000 0.000) 1.109 10.001 ( -1.678 0.000 0.000) 1.678 10.018 ( -24.805 0.000 0.000) 24.805 10.080 ( -16.064 0.000 0.000) 16.064 10.282 ( 5.394 0.000 0.000) 5.394 10.587 ( -1.646 0.000 0.000) 1.646 10.636 ( 0.770 0.000 0.000) 0.770 10.813 ( -2.968 0.000 0.000) 2.968 11.238 ( 13.421 0.000 0.000) 13.421 11.278 ( 13.923 0.000 0.000) 13.923 11.704 ( 9.257 0.000 0.000) 9.257 11.887 ( 2.832 0.000 0.000) 2.832 12.227 ( 21.449 0.000 0.000) 21.449 12.501 ( 7.249 0.000 0.000) 7.249 13.237 ( -5.738 0.000 0.000) 5.738 13.466 ( -4.409 0.000 0.000) 4.409 13.504 ( 2.417 0.000 0.000) 2.417 13.530 ( 1.431 0.000 0.000) 1.431 14.155 ( -12.263 0.000 0.000) 12.263 14.220 ( -8.428 0.000 0.000) 8.428 14.518 ( 5.118 0.000 0.000) 5.118 14.570 ( -0.375 0.000 0.000) 0.375 14.580 ( -5.614 0.000 0.000) 5.614 14.844 ( -2.123 0.000 0.000) 2.123 15.293 ( 12.365 0.000 0.000) 12.365 15.424 ( 10.978 0.000 0.000) 10.978 16.632 ( -17.436 0.000 0.000) 17.436 16.689 ( -24.503 0.000 0.000) 24.503 19.897 ( 26.612 0.000 0.000) 26.612 20.131 ( 29.916 0.000 0.000) 29.916 21.679 ( -4.503 0.000 0.000) 4.503 21.845 ( -13.623 0.000 0.000) 13.623 22.001 ( -0.117 0.000 0.000) 0.117 22.026 ( 0.024 0.000 0.000) 0.024 22.078 ( -4.373 0.000 0.000) 4.373 22.111 ( -9.718 0.000 0.000) 9.718 28.493 ( 0.179 0.000 0.000) 0.179 28.500 ( -0.128 0.000 0.000) 0.128 28.515 ( 0.506 0.000 0.000) 0.506 28.529 ( -0.173 0.000 0.000) 0.173 28.674 ( 9.041 0.000 0.000) 9.041 28.752 ( 10.807 0.000 0.000) 10.807 29.615 ( -8.363 0.000 0.000) 8.363 29.619 ( 2.963 0.000 0.000) 2.963 30.143 ( 5.505 0.000 0.000) 5.505 30.195 ( -14.568 0.000 0.000) 14.568 30.305 ( 5.037 0.000 0.000) 5.037 31.131 ( -12.629 0.000 0.000) 12.629 31.644 ( 3.969 0.000 0.000) 3.969 31.659 ( 10.326 0.000 0.000) 10.326 31.735 ( 15.682 0.000 0.000) 15.682 32.801 ( -8.192 0.000 0.000) 8.192 33.401 ( 9.131 0.000 0.000) 9.131 33.679 ( 16.297 0.000 0.000) 16.297 34.245 ( -8.945 0.000 0.000) 8.945 35.765 ( -33.765 0.000 0.000) 33.765 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -2.286 0.000 0.000) 2.286 1.357 ( -21.314 0.000 0.000) 21.314 1.523 ( 28.588 0.000 0.000) 28.588 1.829 ( 30.196 0.000 0.000) 30.196 2.336 ( 12.567 0.000 0.000) 12.567 2.471 ( 28.505 0.000 0.000) 28.505 2.666 ( -3.144 0.000 0.000) 3.144 2.842 ( 9.197 0.000 0.000) 9.197 2.871 ( 13.632 0.000 0.000) 13.632 3.344 ( -25.571 0.000 0.000) 25.571 3.436 ( -24.502 0.000 0.000) 24.502 3.579 ( 37.162 0.000 0.000) 37.162 3.797 ( -3.841 0.000 0.000) 3.841 3.957 ( 4.964 0.000 0.000) 4.964 4.022 ( -5.074 0.000 0.000) 5.074 4.167 ( -19.047 0.000 0.000) 19.047 4.334 ( -12.813 0.000 0.000) 12.813 4.438 ( 9.428 0.000 0.000) 9.428 4.467 ( 0.995 0.000 0.000) 0.995 4.608 ( -7.939 0.000 0.000) 7.939 4.741 ( 3.198 0.000 0.000) 3.198 5.073 ( -5.835 0.000 0.000) 5.835 5.409 ( 5.429 0.000 0.000) 5.429 5.571 ( -5.955 0.000 0.000) 5.955 5.639 ( -8.477 0.000 0.000) 8.477 5.652 ( -0.341 0.000 0.000) 0.341 5.705 ( -10.977 0.000 0.000) 10.977 5.731 ( -4.272 0.000 0.000) 4.272 6.124 ( 7.058 0.000 0.000) 7.058 6.178 ( 17.445 0.000 0.000) 17.445 6.257 ( 20.872 0.000 0.000) 20.872 6.370 ( 6.240 0.000 0.000) 6.240 6.406 ( 10.342 0.000 0.000) 10.342 6.543 ( 2.941 0.000 0.000) 2.941 6.560 ( -2.711 0.000 0.000) 2.711 6.596 ( -0.013 0.000 0.000) 0.013 6.756 ( -24.509 0.000 0.000) 24.509 6.903 ( 18.532 0.000 0.000) 18.532 6.928 ( -4.374 0.000 0.000) 4.374 6.968 ( -3.896 0.000 0.000) 3.896 7.183 ( -1.470 0.000 0.000) 1.470 7.270 ( -18.164 0.000 0.000) 18.164 7.282 ( 3.536 0.000 0.000) 3.536 7.297 ( 6.281 0.000 0.000) 6.281 7.841 ( -3.804 0.000 0.000) 3.804 8.049 ( -7.353 0.000 0.000) 7.353 8.090 ( 1.223 0.000 0.000) 1.223 8.192 ( 2.220 0.000 0.000) 2.220 8.277 ( 19.391 0.000 0.000) 19.391 8.320 ( 9.815 0.000 0.000) 9.815 9.251 ( -32.247 0.000 0.000) 32.247 9.379 ( -28.839 0.000 0.000) 28.839 9.779 ( -2.331 0.000 0.000) 2.331 9.938 ( -4.991 0.000 0.000) 4.991 9.990 ( 1.329 0.000 0.000) 1.329 10.021 ( 1.121 0.000 0.000) 1.121 10.392 ( 6.174 0.000 0.000) 6.174 10.569 ( 0.054 0.000 0.000) 0.054 10.624 ( -1.627 0.000 0.000) 1.627 10.694 ( -8.014 0.000 0.000) 8.014 11.506 ( 12.767 0.000 0.000) 12.767 11.537 ( 12.195 0.000 0.000) 12.195 11.788 ( -0.367 0.000 0.000) 0.367 11.865 ( -4.197 0.000 0.000) 4.197 12.677 ( 23.453 0.000 0.000) 23.453 12.696 ( 12.047 0.000 0.000) 12.047 13.108 ( -7.699 0.000 0.000) 7.699 13.347 ( -8.657 0.000 0.000) 8.657 13.576 ( 3.723 0.000 0.000) 3.723 13.580 ( 5.246 0.000 0.000) 5.246 13.903 ( -12.739 0.000 0.000) 12.739 13.969 ( -15.042 0.000 0.000) 15.042 14.534 ( -0.194 0.000 0.000) 0.194 14.556 ( -0.833 0.000 0.000) 0.833 14.622 ( 5.366 0.000 0.000) 5.366 14.793 ( -3.159 0.000 0.000) 3.159 15.560 ( 14.938 0.000 0.000) 14.938 15.667 ( 13.923 0.000 0.000) 13.923 16.248 ( -20.858 0.000 0.000) 20.858 16.288 ( -17.537 0.000 0.000) 17.537 20.440 ( 28.587 0.000 0.000) 28.587 20.673 ( 25.555 0.000 0.000) 25.555 21.475 ( -22.911 0.000 0.000) 22.911 21.483 ( -15.274 0.000 0.000) 15.274 21.996 ( -0.419 0.000 0.000) 0.419 21.998 ( -2.135 0.000 0.000) 2.135 22.027 ( 0.058 0.000 0.000) 0.058 22.038 ( -0.833 0.000 0.000) 0.833 28.498 ( 0.356 0.000 0.000) 0.356 28.502 ( 0.344 0.000 0.000) 0.344 28.514 ( -0.322 0.000 0.000) 0.322 28.522 ( -0.498 0.000 0.000) 0.498 28.886 ( 12.289 0.000 0.000) 12.289 28.993 ( 13.669 0.000 0.000) 13.669 29.398 ( -12.900 0.000 0.000) 12.900 29.541 ( -11.272 0.000 0.000) 11.272 30.082 ( 2.881 0.000 0.000) 2.881 30.313 ( -3.605 0.000 0.000) 3.605 30.324 ( 12.033 0.000 0.000) 12.033 30.864 ( -14.405 0.000 0.000) 14.405 31.745 ( 5.422 0.000 0.000) 5.422 31.799 ( 4.067 0.000 0.000) 4.067 32.049 ( 16.152 0.000 0.000) 16.152 32.606 ( -11.741 0.000 0.000) 11.741 33.598 ( 10.999 0.000 0.000) 10.999 34.047 ( -11.194 0.000 0.000) 11.194 34.049 ( 21.736 0.000 0.000) 21.736 35.110 ( -32.562 0.000 0.000) 32.562 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -8.674 0.000 0.000) 8.674 1.048 ( 8.674 0.000 0.000) 8.674 2.258 ( -41.212 0.000 0.000) 41.212 2.258 ( 41.212 0.000 0.000) 41.212 2.377 ( -24.349 0.000 0.000) 24.349 2.377 ( 24.349 0.000 0.000) 24.349 2.754 ( -27.791 0.000 0.000) 27.791 2.754 ( 27.791 0.000 0.000) 27.791 2.950 ( -4.083 0.000 0.000) 4.083 2.950 ( 4.083 0.000 0.000) 4.083 3.580 ( -16.962 0.000 0.000) 16.962 3.580 ( 16.962 0.000 0.000) 16.962 3.931 ( -0.642 0.000 0.000) 0.642 3.931 ( 0.642 0.000 0.000) 0.642 4.085 ( -8.796 0.000 0.000) 8.796 4.085 ( 8.796 0.000 0.000) 8.796 4.206 ( -22.584 0.000 0.000) 22.584 4.206 ( 22.584 0.000 0.000) 22.584 4.609 ( -5.829 0.000 0.000) 5.829 4.609 ( 5.829 0.000 0.000) 5.829 4.925 ( -10.280 0.000 0.000) 10.280 4.925 ( 10.280 0.000 0.000) 10.280 5.493 ( -4.083 0.000 0.000) 4.083 5.493 ( 4.083 0.000 0.000) 4.083 5.538 ( -3.903 0.000 0.000) 3.903 5.538 ( 3.903 0.000 0.000) 3.903 5.656 ( -3.074 0.000 0.000) 3.074 5.656 ( 3.074 0.000 0.000) 3.074 6.306 ( -14.084 0.000 0.000) 14.084 6.306 ( 14.084 0.000 0.000) 14.084 6.369 ( -5.079 0.000 0.000) 5.079 6.369 ( 5.079 0.000 0.000) 5.079 6.549 ( -3.370 0.000 0.000) 3.370 6.549 ( 3.370 0.000 0.000) 3.370 6.588 ( -8.313 0.000 0.000) 8.313 6.588 ( 8.313 0.000 0.000) 8.313 6.741 ( -13.160 0.000 0.000) 13.160 6.741 ( 13.160 0.000 0.000) 13.160 6.951 ( -10.377 0.000 0.000) 10.377 6.951 ( 10.377 0.000 0.000) 10.377 7.157 ( -5.217 0.000 0.000) 5.217 7.157 ( 5.217 0.000 0.000) 5.217 7.336 ( -1.444 0.000 0.000) 1.444 7.336 ( 1.444 0.000 0.000) 1.444 7.884 ( -7.600 0.000 0.000) 7.600 7.884 ( 7.600 0.000 0.000) 7.600 8.153 ( -4.554 0.000 0.000) 4.554 8.153 ( 4.554 0.000 0.000) 4.554 8.663 ( -25.688 0.000 0.000) 25.688 8.663 ( 25.688 0.000 0.000) 25.688 8.793 ( -30.247 0.000 0.000) 30.247 8.793 ( 30.247 0.000 0.000) 30.247 9.826 ( -5.476 0.000 0.000) 5.476 9.826 ( 5.476 0.000 0.000) 5.476 10.023 ( -1.087 0.000 0.000) 1.087 10.023 ( 1.087 0.000 0.000) 1.087 10.531 ( -8.132 0.000 0.000) 8.132 10.531 ( 8.132 0.000 0.000) 8.132 10.588 ( -1.707 0.000 0.000) 1.707 10.588 ( 1.707 0.000 0.000) 1.707 11.707 ( -7.569 0.000 0.000) 7.569 11.707 ( 7.569 0.000 0.000) 7.569 11.740 ( -8.550 0.000 0.000) 8.550 11.740 ( 8.550 0.000 0.000) 8.550 12.928 ( -10.967 0.000 0.000) 10.967 12.928 ( 10.967 0.000 0.000) 10.967 13.092 ( -17.975 0.000 0.000) 17.975 13.092 ( 17.975 0.000 0.000) 17.975 13.692 ( -8.502 0.000 0.000) 8.502 13.692 ( 8.502 0.000 0.000) 8.502 13.719 ( -9.692 0.000 0.000) 9.692 13.719 ( 9.692 0.000 0.000) 9.692 14.542 ( -0.646 0.000 0.000) 0.646 14.542 ( 0.646 0.000 0.000) 0.646 14.719 ( -4.476 0.000 0.000) 4.476 14.719 ( 4.476 0.000 0.000) 4.476 15.875 ( -17.616 0.000 0.000) 17.616 15.875 ( 17.616 0.000 0.000) 17.616 15.960 ( -16.083 0.000 0.000) 16.083 15.960 ( 16.083 0.000 0.000) 16.083 20.985 ( -27.063 0.000 0.000) 27.063 20.985 ( 27.063 0.000 0.000) 27.063 21.125 ( -21.015 0.000 0.000) 21.015 21.125 ( 21.015 0.000 0.000) 21.015 21.987 ( -0.289 0.000 0.000) 0.289 21.987 ( 0.289 0.000 0.000) 0.289 22.029 ( -0.239 0.000 0.000) 0.239 22.029 ( 0.239 0.000 0.000) 0.239 28.507 ( -0.446 0.000 0.000) 0.446 28.507 ( 0.446 0.000 0.000) 0.446 28.511 ( -0.579 0.000 0.000) 0.579 28.511 ( 0.579 0.000 0.000) 0.579 29.139 ( -13.447 0.000 0.000) 13.447 29.139 ( 13.447 0.000 0.000) 13.447 29.273 ( -14.761 0.000 0.000) 14.761 29.273 ( 14.761 0.000 0.000) 14.761 30.199 ( -7.157 0.000 0.000) 7.157 30.199 ( 7.157 0.000 0.000) 7.157 30.583 ( -14.218 0.000 0.000) 14.218 30.583 ( 14.218 0.000 0.000) 14.218 31.820 ( -1.749 0.000 0.000) 1.749 31.820 ( 1.749 0.000 0.000) 1.749 32.349 ( -14.544 0.000 0.000) 14.544 32.349 ( 14.544 0.000 0.000) 14.544 33.821 ( -11.746 0.000 0.000) 11.746 33.821 ( 11.746 0.000 0.000) 11.746 34.525 ( -27.347 0.000 0.000) 27.347 34.525 ( 27.347 0.000 0.000) 27.347 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 29.551 0.000) 29.551 0.916 ( 0.000 41.933 0.000) 41.933 1.207 ( 0.000 59.427 0.000) 59.427 1.303 ( 0.000 17.250 0.000) 17.250 1.744 ( 0.000 26.718 0.000) 26.718 2.079 ( 0.000 -5.334 0.000) 5.334 2.307 ( 0.000 -2.889 0.000) 2.889 2.499 ( 0.000 32.988 0.000) 32.988 2.863 ( 0.000 2.593 0.000) 2.593 3.070 ( 0.000 -8.141 0.000) 8.141 3.470 ( 0.000 23.770 0.000) 23.770 3.709 ( 0.000 -2.660 0.000) 2.660 3.876 ( 0.000 9.986 0.000) 9.986 4.235 ( 0.000 21.999 0.000) 21.999 4.409 ( 0.000 -1.461 0.000) 1.461 4.424 ( 0.000 12.281 0.000) 12.281 4.740 ( 0.000 6.469 0.000) 6.469 4.841 ( 0.000 -0.214 0.000) 0.214 4.853 ( 0.000 -4.705 0.000) 4.705 4.947 ( 0.000 4.204 0.000) 4.204 5.108 ( 0.000 -12.143 0.000) 12.143 5.142 ( 0.000 -18.612 0.000) 18.612 5.206 ( 0.000 5.392 0.000) 5.392 5.311 ( 0.000 -15.065 0.000) 15.065 5.490 ( 0.000 -11.470 0.000) 11.470 5.672 ( 0.000 5.201 0.000) 5.201 5.727 ( 0.000 -8.306 0.000) 8.306 5.757 ( 0.000 -5.452 0.000) 5.452 5.764 ( 0.000 -6.298 0.000) 6.298 5.781 ( 0.000 -9.520 0.000) 9.520 6.224 ( 0.000 1.645 0.000) 1.645 6.233 ( 0.000 -10.022 0.000) 10.022 6.317 ( 0.000 14.335 0.000) 14.335 6.368 ( 0.000 -13.988 0.000) 13.988 6.524 ( 0.000 -7.450 0.000) 7.450 6.545 ( 0.000 13.295 0.000) 13.295 6.578 ( 0.000 -2.277 0.000) 2.277 6.650 ( 0.000 -2.125 0.000) 2.125 6.830 ( 0.000 8.649 0.000) 8.649 7.018 ( 0.000 9.909 0.000) 9.909 7.033 ( 0.000 16.353 0.000) 16.353 7.120 ( 0.000 0.855 0.000) 0.855 7.790 ( 0.000 0.151 0.000) 0.151 7.906 ( 0.000 2.899 0.000) 2.899 7.918 ( 0.000 -11.779 0.000) 11.779 7.954 ( 0.000 -8.264 0.000) 8.264 8.093 ( 0.000 1.720 0.000) 1.720 8.153 ( 0.000 4.790 0.000) 4.790 8.487 ( 0.000 14.399 0.000) 14.399 8.778 ( 0.000 14.746 0.000) 14.746 9.821 ( 0.000 -15.740 0.000) 15.740 10.030 ( 0.000 -19.360 0.000) 19.360 10.054 ( 0.000 1.702 0.000) 1.702 10.065 ( 0.000 3.489 0.000) 3.489 10.127 ( 0.000 7.573 0.000) 7.573 10.550 ( 0.000 -2.742 0.000) 2.742 10.600 ( 0.000 -2.005 0.000) 2.005 10.617 ( 0.000 0.641 0.000) 0.641 10.917 ( 0.000 -0.627 0.000) 0.627 11.031 ( 0.000 18.552 0.000) 18.552 11.097 ( 0.000 1.352 0.000) 1.352 11.132 ( 0.000 21.303 0.000) 21.303 11.248 ( 0.000 2.936 0.000) 2.936 11.516 ( 0.000 -6.813 0.000) 6.813 11.645 ( 0.000 3.777 0.000) 3.777 11.807 ( 0.000 6.155 0.000) 6.155 13.327 ( 0.000 -4.141 0.000) 4.141 13.475 ( 0.000 -7.638 0.000) 7.638 13.509 ( 0.000 -3.129 0.000) 3.129 14.183 ( 0.000 -10.087 0.000) 10.087 14.256 ( 0.000 -18.476 0.000) 18.476 14.277 ( 0.000 -10.118 0.000) 10.118 14.303 ( 0.000 -17.452 0.000) 17.452 14.367 ( 0.000 -16.738 0.000) 16.738 14.388 ( 0.000 -5.589 0.000) 5.589 14.733 ( 0.000 -7.058 0.000) 7.058 15.267 ( 0.000 31.378 0.000) 31.378 16.101 ( 0.000 15.711 0.000) 15.711 17.285 ( 0.000 20.212 0.000) 20.212 17.679 ( 0.000 20.487 0.000) 20.487 19.005 ( 0.000 -18.732 0.000) 18.732 19.058 ( 0.000 -17.789 0.000) 17.789 21.648 ( 0.000 -3.255 0.000) 3.255 21.669 ( 0.000 -2.968 0.000) 2.968 22.168 ( 0.000 14.857 0.000) 14.857 22.233 ( 0.000 17.563 0.000) 17.563 22.245 ( 0.000 -4.856 0.000) 4.856 22.631 ( 0.000 -1.445 0.000) 1.445 28.451 ( 0.000 7.045 0.000) 7.045 28.561 ( 0.000 6.345 0.000) 6.345 28.574 ( 0.000 7.600 0.000) 7.600 28.591 ( 0.000 7.802 0.000) 7.802 28.807 ( 0.000 21.695 0.000) 21.695 29.520 ( 0.000 3.997 0.000) 3.997 29.712 ( 0.000 3.317 0.000) 3.317 29.875 ( 0.000 -1.350 0.000) 1.350 30.001 ( 0.000 -2.408 0.000) 2.408 30.168 ( 0.000 -2.326 0.000) 2.326 30.785 ( 0.000 -5.895 0.000) 5.895 31.153 ( 0.000 -0.369 0.000) 0.369 31.260 ( 0.000 -8.902 0.000) 8.902 31.316 ( 0.000 -2.981 0.000) 2.981 31.495 ( 0.000 2.026 0.000) 2.026 31.891 ( 0.000 -3.533 0.000) 3.533 33.213 ( 0.000 3.329 0.000) 3.329 33.340 ( 0.000 1.129 0.000) 1.129 34.386 ( 0.000 -4.462 0.000) 4.462 36.327 ( 0.000 -24.496 0.000) 24.496 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 20.511 19.256 0.000) 28.133 1.042 ( 23.273 24.374 0.000) 33.701 1.320 ( 4.656 13.406 0.000) 14.192 1.788 ( -15.566 3.911 0.000) 16.050 1.889 ( 45.519 44.241 0.000) 63.476 1.909 ( 17.754 18.705 0.000) 25.790 2.252 ( -13.678 11.806 0.000) 18.068 2.603 ( 10.678 30.692 0.000) 32.496 2.892 ( 6.493 -3.277 0.000) 7.273 3.088 ( -28.062 19.006 0.000) 33.892 3.428 ( 22.072 -9.576 0.000) 24.060 3.719 ( -7.387 14.587 0.000) 16.350 3.747 ( 3.939 -1.090 0.000) 4.087 4.133 ( -1.666 11.431 0.000) 11.552 4.285 ( -14.449 -6.485 0.000) 15.837 4.603 ( -24.520 -12.057 0.000) 27.324 4.661 ( 0.359 4.702 0.000) 4.716 4.743 ( 5.424 0.629 0.000) 5.460 4.813 ( -18.798 1.717 0.000) 18.876 4.972 ( -10.013 -6.885 0.000) 12.152 5.060 ( 19.029 6.250 0.000) 20.029 5.118 ( -1.881 7.032 0.000) 7.280 5.162 ( 11.532 2.062 0.000) 11.715 5.415 ( 1.939 -1.802 0.000) 2.647 5.471 ( -1.328 -8.387 0.000) 8.492 5.546 ( -4.128 -0.531 0.000) 4.162 5.694 ( 3.820 -1.386 0.000) 4.063 5.809 ( 0.664 -7.226 0.000) 7.256 5.847 ( 4.417 -5.027 0.000) 6.692 5.856 ( 6.775 -8.859 0.000) 11.153 6.146 ( -7.970 8.381 0.000) 11.565 6.209 ( -5.737 -4.096 0.000) 7.049 6.337 ( 7.735 -3.391 0.000) 8.446 6.355 ( -2.316 -1.954 0.000) 3.030 6.468 ( -1.135 -2.370 0.000) 2.628 6.511 ( -3.648 -5.185 0.000) 6.340 6.684 ( 13.211 7.431 0.000) 15.157 6.732 ( 5.609 -4.944 0.000) 7.477 6.858 ( 2.863 8.367 0.000) 8.843 6.942 ( -7.015 4.210 0.000) 8.181 7.163 ( 4.527 6.473 0.000) 7.899 7.303 ( 13.638 8.767 0.000) 16.213 7.643 ( -12.834 -2.935 0.000) 13.166 7.817 ( -7.247 -0.537 0.000) 7.266 7.931 ( -1.909 -5.537 0.000) 5.857 7.953 ( -1.673 -9.572 0.000) 9.717 7.980 ( -4.676 6.309 0.000) 7.853 8.147 ( 1.692 3.707 0.000) 4.074 8.438 ( -4.459 15.239 0.000) 15.878 8.703 ( -6.789 17.581 0.000) 18.846 9.745 ( -7.337 -15.697 0.000) 17.327 9.900 ( -10.970 -15.439 0.000) 18.940 10.037 ( -1.357 2.802 0.000) 3.113 10.073 ( -3.606 5.708 0.000) 6.751 10.111 ( 2.590 -0.803 0.000) 2.712 10.460 ( -10.428 2.998 0.000) 10.850 10.611 ( 0.994 -0.276 0.000) 1.032 10.726 ( 10.531 0.045 0.000) 10.531 10.817 ( -17.580 15.504 0.000) 23.440 10.864 ( -13.921 16.855 0.000) 21.861 11.007 ( 8.585 -1.939 0.000) 8.802 11.109 ( 2.810 2.094 0.000) 3.504 11.507 ( 15.197 5.426 0.000) 16.137 11.717 ( 14.387 -1.300 0.000) 14.445 11.929 ( 12.294 4.419 0.000) 13.064 11.988 ( 21.303 -12.124 0.000) 24.511 13.289 ( -3.730 -4.146 0.000) 5.577 13.440 ( -3.314 -8.473 0.000) 9.098 13.452 ( -4.382 -5.038 0.000) 6.677 13.828 ( -20.818 1.070 0.000) 20.846 14.180 ( -1.147 -10.194 0.000) 10.258 14.288 ( -2.124 -7.470 0.000) 7.766 14.351 ( -0.305 -7.577 0.000) 7.583 14.392 ( 1.947 -16.716 0.000) 16.829 14.525 ( 6.629 -25.285 0.000) 26.140 14.660 ( -7.007 -6.609 0.000) 9.632 15.326 ( 5.864 27.172 0.000) 27.798 15.792 ( -13.970 30.088 0.000) 33.173 17.116 ( -15.419 16.802 0.000) 22.805 17.343 ( -27.059 15.303 0.000) 31.087 19.251 ( 20.081 -16.362 0.000) 25.903 19.376 ( 28.347 -14.174 0.000) 31.693 21.618 ( -4.341 -7.408 0.000) 8.586 21.753 ( 1.319 -9.432 0.000) 9.524 22.182 ( 1.252 15.668 0.000) 15.718 22.237 ( -0.264 1.098 0.000) 1.130 22.240 ( 0.680 18.033 0.000) 18.046 22.507 ( -8.320 6.379 0.000) 10.484 28.512 ( 5.451 6.893 0.000) 8.788 28.560 ( -0.020 6.372 0.000) 6.372 28.586 ( -0.389 7.672 0.000) 7.682 28.624 ( 4.614 7.199 0.000) 8.550 28.785 ( -0.926 18.340 0.000) 18.364 29.166 ( -30.270 31.379 0.000) 43.600 29.569 ( 4.645 4.036 0.000) 6.154 29.724 ( 0.190 3.416 0.000) 3.421 30.115 ( 9.697 -2.436 0.000) 9.999 30.120 ( -3.293 -1.723 0.000) 3.716 30.537 ( -18.086 -1.609 0.000) 18.157 31.262 ( -6.094 -7.255 0.000) 9.474 31.350 ( 13.094 -4.826 0.000) 13.955 31.422 ( 10.207 -4.090 0.000) 10.995 31.571 ( 0.896 -3.091 0.000) 3.218 32.369 ( 21.298 -31.301 0.000) 37.860 33.271 ( 5.672 2.696 0.000) 6.280 33.430 ( 8.913 0.558 0.000) 8.930 34.339 ( -4.735 -4.205 0.000) 6.333 36.112 ( -20.787 -21.620 0.000) 29.992 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -1.953 14.837 0.000) 14.965 1.276 ( 21.892 7.133 0.000) 23.024 1.617 ( -1.868 21.901 0.000) 21.981 1.842 ( 40.734 6.009 0.000) 41.175 1.966 ( -14.078 19.834 0.000) 24.322 2.334 ( 26.611 4.018 0.000) 26.913 2.580 ( -18.827 15.832 0.000) 24.599 2.797 ( 21.489 20.115 0.000) 29.434 2.835 ( 29.778 26.731 0.000) 40.016 2.915 ( 2.029 10.365 0.000) 10.562 3.705 ( 7.092 -2.416 0.000) 7.492 3.833 ( -27.842 -11.041 0.000) 29.951 3.858 ( 6.634 3.441 0.000) 7.473 3.930 ( 20.888 -5.320 0.000) 21.554 4.056 ( -28.446 -10.413 0.000) 30.292 4.197 ( 7.624 11.515 0.000) 13.810 4.486 ( -15.397 5.584 0.000) 16.379 4.519 ( -8.948 -0.641 0.000) 8.971 4.749 ( -11.267 -1.010 0.000) 11.312 4.780 ( -12.938 4.215 0.000) 13.608 4.906 ( -9.348 0.449 0.000) 9.359 5.266 ( -7.952 5.512 0.000) 9.675 5.266 ( 3.304 -3.097 0.000) 4.529 5.499 ( 5.447 -5.580 0.000) 7.798 5.616 ( 18.718 4.119 0.000) 19.166 5.620 ( 2.069 -3.844 0.000) 4.365 5.783 ( -1.844 -6.611 0.000) 6.863 5.865 ( 9.561 -0.577 0.000) 9.579 5.939 ( 10.171 7.620 0.000) 12.709 5.973 ( 2.634 -4.464 0.000) 5.184 6.008 ( -8.772 2.415 0.000) 9.099 6.128 ( 4.430 0.054 0.000) 4.430 6.358 ( 3.581 2.271 0.000) 4.241 6.425 ( -4.863 -7.916 0.000) 9.291 6.479 ( 3.071 -9.206 0.000) 9.705 6.536 ( 13.335 -0.743 0.000) 13.356 6.741 ( -5.920 4.493 0.000) 7.431 6.924 ( 6.796 -3.050 0.000) 7.449 6.929 ( 4.617 5.788 0.000) 7.404 7.037 ( 18.021 3.956 0.000) 18.450 7.225 ( 1.348 2.591 0.000) 2.921 7.323 ( -19.725 0.257 0.000) 19.727 7.355 ( -5.812 7.174 0.000) 9.233 7.618 ( -12.976 1.602 0.000) 13.074 7.848 ( -6.591 -7.713 0.000) 10.145 7.889 ( -1.773 -5.789 0.000) 6.054 8.063 ( 9.191 1.490 0.000) 9.311 8.173 ( 0.180 3.866 0.000) 3.870 8.375 ( 0.089 15.672 0.000) 15.672 8.563 ( -6.669 18.275 0.000) 19.454 9.546 ( -12.687 -16.102 0.000) 20.500 9.655 ( -15.347 -11.247 0.000) 19.027 10.010 ( -3.210 1.586 0.000) 3.581 10.040 ( 1.222 3.706 0.000) 3.902 10.077 ( -7.058 1.444 0.000) 7.204 10.190 ( -15.757 9.860 0.000) 18.588 10.504 ( -8.093 16.140 0.000) 18.056 10.602 ( -1.044 1.697 0.000) 1.992 10.742 ( -2.634 8.980 0.000) 9.358 10.825 ( -1.546 1.242 0.000) 1.984 11.219 ( 13.843 -1.943 0.000) 13.978 11.283 ( 12.959 0.809 0.000) 12.985 11.743 ( 7.855 3.130 0.000) 8.455 11.889 ( 3.435 -0.003 0.000) 3.435 12.251 ( 19.484 2.116 0.000) 19.599 12.356 ( 17.396 -7.023 0.000) 18.760 13.191 ( -6.104 -4.475 0.000) 7.569 13.358 ( -4.982 -9.687 0.000) 10.893 13.396 ( -0.502 -8.940 0.000) 8.954 13.557 ( -7.492 -3.002 0.000) 8.071 14.071 ( -10.631 -8.373 0.000) 13.532 14.171 ( -8.431 -5.133 0.000) 9.871 14.419 ( 4.406 -10.215 0.000) 11.124 14.422 ( 0.971 -15.580 0.000) 15.610 14.511 ( -5.958 -6.779 0.000) 9.025 14.602 ( 2.097 -22.215 0.000) 22.314 15.481 ( 9.817 20.197 0.000) 22.456 15.702 ( 2.524 22.498 0.000) 22.639 16.765 ( -19.253 12.556 0.000) 22.985 16.808 ( -26.263 11.335 0.000) 28.605 19.724 ( 27.101 -13.737 0.000) 30.383 19.950 ( 28.754 -14.136 0.000) 32.041 21.477 ( -10.343 -13.211 0.000) 16.778 21.619 ( -13.790 -11.815 0.000) 18.159 22.208 ( 1.245 17.321 0.000) 17.366 22.241 ( 0.307 11.544 0.000) 11.548 22.261 ( 1.502 19.379 0.000) 19.437 22.391 ( -3.567 13.810 0.000) 14.263 28.561 ( 0.163 6.572 0.000) 6.574 28.582 ( 0.060 7.505 0.000) 7.505 28.597 ( 1.294 9.363 0.000) 9.452 28.734 ( 7.639 6.411 0.000) 9.972 28.814 ( -6.054 20.156 0.000) 21.045 28.865 ( 5.468 11.182 0.000) 12.447 29.650 ( -6.709 3.428 0.000) 7.534 29.669 ( 2.030 4.600 0.000) 5.028 30.127 ( 3.695 -1.196 0.000) 3.883 30.211 ( -12.077 1.181 0.000) 12.135 30.279 ( 5.349 -2.426 0.000) 5.873 31.084 ( -11.536 -4.586 0.000) 12.414 31.575 ( 9.459 -7.818 0.000) 12.272 31.596 ( 2.594 -4.496 0.000) 5.190 31.665 ( 13.910 -6.680 0.000) 15.430 32.529 ( -0.881 -22.673 0.000) 22.690 33.415 ( 8.738 1.631 0.000) 8.889 33.669 ( 15.329 -0.897 0.000) 15.356 34.209 ( -8.446 -3.471 0.000) 9.131 35.597 ( -30.217 -15.607 0.000) 34.010 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -1.271 15.414 0.000) 15.466 1.487 ( -8.438 11.731 0.000) 14.451 1.688 ( 5.243 13.774 0.000) 14.738 1.874 ( 21.091 5.886 0.000) 21.897 2.574 ( 17.442 3.749 0.000) 17.840 2.580 ( 17.200 22.195 0.000) 28.079 2.692 ( -6.141 -3.907 0.000) 7.279 2.870 ( 16.917 3.935 0.000) 17.369 3.100 ( -12.603 -14.784 0.000) 19.427 3.106 ( 15.808 20.282 0.000) 25.714 3.592 ( -13.619 9.721 0.000) 16.732 3.753 ( -2.513 -4.125 0.000) 4.831 3.793 ( 22.081 20.584 0.000) 30.187 3.958 ( 2.047 4.282 0.000) 4.746 4.048 ( -13.215 2.557 0.000) 13.460 4.202 ( -11.620 4.694 0.000) 12.532 4.367 ( -12.795 -0.881 0.000) 12.825 4.419 ( 7.213 -5.751 0.000) 9.225 4.493 ( -1.164 2.295 0.000) 2.573 4.538 ( -6.327 5.034 0.000) 8.085 4.784 ( 1.133 0.373 0.000) 1.193 5.146 ( -5.967 5.160 0.000) 7.889 5.319 ( 2.344 -2.772 0.000) 3.630 5.531 ( -8.787 -6.366 0.000) 10.851 5.604 ( 4.136 -2.394 0.000) 4.779 5.715 ( -0.437 6.238 0.000) 6.254 5.718 ( -7.334 3.833 0.000) 8.275 5.843 ( -3.009 4.139 0.000) 5.117 6.065 ( 8.554 -9.613 0.000) 12.868 6.081 ( 6.186 -6.759 0.000) 9.163 6.259 ( 17.018 0.605 0.000) 17.029 6.296 ( -3.767 -10.592 0.000) 11.242 6.315 ( 10.613 -2.126 0.000) 10.824 6.512 ( 1.372 -4.960 0.000) 5.147 6.537 ( 11.214 3.021 0.000) 11.614 6.681 ( 1.425 5.273 0.000) 5.462 6.718 ( -11.922 -2.977 0.000) 12.288 6.970 ( -5.049 0.703 0.000) 5.097 6.979 ( -7.525 2.457 0.000) 7.916 7.023 ( 9.383 11.462 0.000) 14.812 7.193 ( -3.351 -0.119 0.000) 3.353 7.246 ( -1.172 -3.043 0.000) 3.261 7.308 ( 4.110 2.390 0.000) 4.754 7.352 ( -10.028 6.166 0.000) 11.772 7.776 ( 1.490 -3.363 0.000) 3.678 7.967 ( 9.237 -3.555 0.000) 9.897 8.083 ( -6.790 3.195 0.000) 7.504 8.210 ( 1.018 1.723 0.000) 2.001 8.490 ( 2.726 12.924 0.000) 13.208 8.502 ( 12.554 14.528 0.000) 19.201 9.225 ( -25.352 -3.544 0.000) 25.599 9.274 ( -18.619 -6.690 0.000) 19.784 9.879 ( -9.150 6.377 0.000) 11.153 9.929 ( -5.130 -0.406 0.000) 5.146 10.025 ( -0.696 5.104 0.000) 5.151 10.061 ( 0.449 3.603 0.000) 3.631 10.483 ( 2.954 8.277 0.000) 8.789 10.590 ( -0.199 2.268 0.000) 2.277 10.699 ( -2.090 6.890 0.000) 7.200 10.739 ( -5.611 4.256 0.000) 7.043 11.495 ( 13.241 -1.209 0.000) 13.296 11.534 ( 12.195 -0.092 0.000) 12.195 11.802 ( -1.416 1.008 0.000) 1.738 11.876 ( -4.208 0.878 0.000) 4.298 12.612 ( 16.170 -4.087 0.000) 16.679 12.709 ( 19.109 0.123 0.000) 19.109 13.057 ( -7.852 -4.923 0.000) 9.268 13.242 ( -7.329 -9.382 0.000) 11.905 13.444 ( 5.383 -9.831 0.000) 11.208 13.508 ( 1.944 -8.567 0.000) 8.785 13.827 ( -13.255 -7.452 0.000) 15.206 13.925 ( -15.583 -3.983 0.000) 16.084 14.431 ( 0.122 -13.687 0.000) 13.688 14.433 ( -0.649 -10.381 0.000) 10.402 14.527 ( 4.166 -10.432 0.000) 11.232 14.619 ( -0.203 -17.836 0.000) 17.837 15.701 ( 12.737 14.892 0.000) 19.596 15.833 ( 10.206 15.457 0.000) 18.523 16.346 ( -21.202 9.954 0.000) 23.422 16.400 ( -17.927 10.784 0.000) 20.921 20.265 ( 27.921 -13.321 0.000) 30.936 20.466 ( 24.179 -15.322 0.000) 28.625 21.216 ( -16.825 -15.564 0.000) 22.920 21.274 ( -20.281 -13.724 0.000) 24.487 22.227 ( 0.728 18.699 0.000) 18.714 22.242 ( -0.103 17.510 0.000) 17.510 22.294 ( 1.690 20.829 0.000) 20.897 22.348 ( -1.405 18.923 0.000) 18.975 28.566 ( 0.347 6.853 0.000) 6.862 28.590 ( -0.902 8.540 0.000) 8.587 28.593 ( 1.194 8.057 0.000) 8.145 28.694 ( -4.316 13.794 0.000) 14.453 28.940 ( 11.981 5.197 0.000) 13.060 29.074 ( 12.904 7.763 0.000) 15.060 29.440 ( -12.563 3.995 0.000) 13.182 29.602 ( -10.771 5.862 0.000) 12.263 30.085 ( 2.804 0.346 0.000) 2.825 30.299 ( -2.905 -1.376 0.000) 3.214 30.318 ( 11.616 -0.571 0.000) 11.630 30.835 ( -13.616 -2.807 0.000) 13.903 31.668 ( 4.147 -7.136 0.000) 8.254 31.704 ( 3.816 -8.957 0.000) 9.736 31.945 ( 14.452 -9.766 0.000) 17.442 32.424 ( -8.787 -16.499 0.000) 18.693 33.602 ( 10.304 0.387 0.000) 10.311 34.017 ( 20.402 -3.007 0.000) 20.622 34.022 ( -10.530 -2.359 0.000) 10.791 35.002 ( -29.845 -10.024 0.000) 31.484 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -9.149 16.486 0.000) 18.854 1.230 ( 9.149 16.486 0.000) 18.854 2.099 ( -30.056 -7.446 0.000) 30.965 2.099 ( 30.056 -7.446 0.000) 30.965 2.385 ( -28.596 -4.052 0.000) 28.881 2.385 ( 28.596 -4.052 0.000) 28.881 3.012 ( -20.136 22.540 0.000) 30.224 3.012 ( 20.136 22.539 0.000) 30.224 3.265 ( -11.965 22.153 0.000) 25.178 3.265 ( 11.965 22.153 0.000) 25.178 3.572 ( -13.648 -0.304 0.000) 13.652 3.572 ( 13.648 -0.304 0.000) 13.652 3.847 ( -3.197 -5.657 0.000) 6.498 3.847 ( 3.197 -5.657 0.000) 6.498 4.041 ( -11.034 -0.665 0.000) 11.054 4.041 ( 11.034 -0.665 0.000) 11.054 4.296 ( -12.353 6.149 0.000) 13.799 4.296 ( 12.353 6.149 0.000) 13.799 4.584 ( -2.842 0.858 0.000) 2.969 4.584 ( 2.842 0.858 0.000) 2.969 4.969 ( -12.469 1.352 0.000) 12.543 4.969 ( 12.469 1.352 0.000) 12.543 5.373 ( -5.115 -2.035 0.000) 5.505 5.373 ( 5.115 -2.035 0.000) 5.505 5.645 ( -0.359 2.809 0.000) 2.832 5.645 ( 0.359 2.809 0.000) 2.832 5.755 ( -5.439 7.701 0.000) 9.428 5.755 ( 5.439 7.701 0.000) 9.428 6.167 ( -1.029 -12.182 0.000) 12.225 6.167 ( 1.029 -12.182 0.000) 12.225 6.333 ( -10.439 -6.876 0.000) 12.500 6.333 ( 10.439 -6.876 0.000) 12.500 6.461 ( -4.263 -1.047 0.000) 4.390 6.461 ( 4.263 -1.047 0.000) 4.390 6.630 ( -9.499 1.418 0.000) 9.605 6.630 ( 9.499 1.418 0.000) 9.605 6.790 ( -11.769 2.933 0.000) 12.129 6.790 ( 11.769 2.933 0.000) 12.129 6.992 ( -13.526 3.661 0.000) 14.013 6.992 ( 13.526 3.661 0.000) 14.013 7.150 ( -2.134 -1.538 0.000) 2.631 7.150 ( 2.134 -1.538 0.000) 2.631 7.374 ( -0.770 5.027 0.000) 5.086 7.374 ( 0.770 5.027 0.000) 5.086 7.907 ( -9.870 1.819 0.000) 10.036 7.907 ( 9.870 1.819 0.000) 10.036 8.135 ( -7.293 -0.187 0.000) 7.296 8.135 ( 7.293 -0.187 0.000) 7.296 8.726 ( -21.917 5.414 0.000) 22.576 8.726 ( 21.917 5.414 0.000) 22.576 8.870 ( -22.147 6.355 0.000) 23.041 8.870 ( 22.147 6.355 0.000) 23.041 9.835 ( -3.204 1.017 0.000) 3.362 9.835 ( 3.204 1.017 0.000) 3.362 10.048 ( -1.644 2.846 0.000) 3.287 10.048 ( 1.644 2.846 0.000) 3.287 10.561 ( -3.837 3.567 0.000) 5.239 10.561 ( 3.837 3.567 0.000) 5.239 10.670 ( -0.099 6.974 0.000) 6.975 10.670 ( 0.099 6.974 0.000) 6.975 11.706 ( -8.113 -0.223 0.000) 8.116 11.706 ( 8.113 -0.223 0.000) 8.116 11.743 ( -9.098 0.275 0.000) 9.103 11.743 ( 9.098 0.275 0.000) 9.103 12.875 ( -11.175 -4.697 0.000) 12.122 12.875 ( 11.175 -4.697 0.000) 12.122 13.043 ( -13.941 -5.047 0.000) 14.827 13.043 ( 13.941 -5.047 0.000) 14.827 13.595 ( -9.876 -8.348 0.000) 12.932 13.595 ( 9.876 -8.348 0.000) 12.932 13.640 ( -11.948 -6.688 0.000) 13.693 13.640 ( 11.948 -6.688 0.000) 13.693 14.431 ( -0.127 -11.919 0.000) 11.920 14.431 ( 0.127 -11.919 0.000) 11.920 14.594 ( -2.442 -13.636 0.000) 13.853 14.594 ( 2.442 -13.636 0.000) 13.853 15.982 ( -16.435 11.271 0.000) 19.928 15.982 ( 16.435 11.271 0.000) 19.928 16.080 ( -14.835 11.658 0.000) 18.867 16.080 ( 14.835 11.658 0.000) 18.867 20.789 ( -25.574 -13.870 0.000) 29.093 20.789 ( 25.574 -13.870 0.000) 29.093 20.893 ( -20.039 -15.877 0.000) 25.567 20.893 ( 20.040 -15.877 0.000) 25.567 22.238 ( -0.382 19.178 0.000) 19.182 22.238 ( 0.382 19.178 0.000) 19.182 22.323 ( -1.342 21.005 0.000) 21.048 22.323 ( 1.342 21.005 0.000) 21.048 28.575 ( -0.612 7.332 0.000) 7.357 28.575 ( 0.612 7.332 0.000) 7.357 28.629 ( -2.499 9.980 0.000) 10.288 28.629 ( 2.499 9.980 0.000) 10.288 29.187 ( -13.140 4.638 0.000) 13.935 29.187 ( 13.140 4.638 0.000) 13.935 29.342 ( -14.295 6.679 0.000) 15.778 29.342 ( 14.295 6.679 0.000) 15.778 30.197 ( -6.673 -0.194 0.000) 6.676 30.197 ( 6.673 -0.194 0.000) 6.676 30.568 ( -13.640 -1.507 0.000) 13.723 30.568 ( 13.640 -1.507 0.000) 13.723 31.727 ( -1.288 -8.783 0.000) 8.877 31.727 ( 1.288 -8.783 0.000) 8.877 32.212 ( -12.673 -12.818 0.000) 18.025 32.212 ( 12.673 -12.818 0.000) 18.025 33.810 ( -11.005 -1.015 0.000) 11.052 33.810 ( 11.005 -1.015 0.000) 11.052 34.462 ( -25.460 -5.916 0.000) 26.138 34.462 ( 25.460 -5.916 0.000) 26.138 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 29.128 0.000) 29.128 1.570 ( 0.000 24.609 0.000) 24.609 1.926 ( 0.000 38.573 0.000) 38.573 2.046 ( 0.000 2.148 0.000) 2.148 2.253 ( 0.000 -1.598 0.000) 1.598 2.320 ( 0.000 26.320 0.000) 26.320 2.343 ( 0.000 49.160 0.000) 49.160 2.754 ( 0.000 -7.581 0.000) 7.581 2.907 ( 0.000 -6.506 0.000) 6.506 3.124 ( 0.000 22.505 0.000) 22.505 3.666 ( 0.000 -0.022 0.000) 0.022 3.854 ( 0.000 -4.018 0.000) 4.018 4.242 ( 0.000 37.782 0.000) 37.782 4.348 ( 0.000 -6.017 0.000) 6.017 4.700 ( 0.000 12.127 0.000) 12.127 4.725 ( 0.000 -21.185 0.000) 21.185 4.778 ( 0.000 -5.746 0.000) 5.746 4.832 ( 0.000 3.643 0.000) 3.643 4.856 ( 0.000 1.403 0.000) 1.403 4.864 ( 0.000 23.541 0.000) 23.541 4.944 ( 0.000 -12.453 0.000) 12.453 5.062 ( 0.000 6.903 0.000) 6.903 5.068 ( 0.000 7.340 0.000) 7.340 5.247 ( 0.000 -8.080 0.000) 8.080 5.275 ( 0.000 11.225 0.000) 11.225 5.503 ( 0.000 -15.924 0.000) 15.924 5.569 ( 0.000 -11.868 0.000) 11.868 5.606 ( 0.000 -4.646 0.000) 4.646 5.659 ( 0.000 -3.892 0.000) 3.892 5.738 ( 0.000 0.651 0.000) 0.651 6.023 ( 0.000 -12.667 0.000) 12.667 6.093 ( 0.000 -11.285 0.000) 11.285 6.409 ( 0.000 17.689 0.000) 17.689 6.410 ( 0.000 -1.822 0.000) 1.822 6.464 ( 0.000 -2.740 0.000) 2.740 6.499 ( 0.000 -3.913 0.000) 3.913 6.657 ( 0.000 5.220 0.000) 5.220 6.786 ( 0.000 10.340 0.000) 10.340 6.996 ( 0.000 6.184 0.000) 6.184 7.155 ( 0.000 2.350 0.000) 2.350 7.250 ( 0.000 11.414 0.000) 11.414 7.346 ( 0.000 14.102 0.000) 14.102 7.677 ( 0.000 -12.438 0.000) 12.438 7.789 ( 0.000 -7.979 0.000) 7.979 7.805 ( 0.000 1.221 0.000) 1.221 7.977 ( 0.000 3.748 0.000) 3.748 8.170 ( 0.000 6.127 0.000) 6.127 8.297 ( 0.000 9.531 0.000) 9.531 8.751 ( 0.000 11.139 0.000) 11.139 9.062 ( 0.000 11.260 0.000) 11.260 9.481 ( 0.000 -17.041 0.000) 17.041 9.657 ( 0.000 -16.639 0.000) 16.639 10.088 ( 0.000 1.118 0.000) 1.118 10.181 ( 0.000 7.781 0.000) 7.781 10.341 ( 0.000 12.290 0.000) 12.290 10.497 ( 0.000 -1.282 0.000) 1.282 10.545 ( 0.000 -3.002 0.000) 3.002 10.664 ( 0.000 4.420 0.000) 4.420 10.907 ( 0.000 0.351 0.000) 0.351 11.149 ( 0.000 4.103 0.000) 4.103 11.349 ( 0.000 7.210 0.000) 7.210 11.389 ( 0.000 14.257 0.000) 14.257 11.462 ( 0.000 2.072 0.000) 2.072 11.534 ( 0.000 16.648 0.000) 16.648 11.808 ( 0.000 13.525 0.000) 13.525 12.025 ( 0.000 15.835 0.000) 15.835 13.183 ( 0.000 -10.314 0.000) 10.314 13.265 ( 0.000 -12.294 0.000) 12.294 13.325 ( 0.000 -14.168 0.000) 14.168 13.811 ( 0.000 -29.803 0.000) 29.803 13.822 ( 0.000 -23.244 0.000) 23.244 13.883 ( 0.000 -18.932 0.000) 18.932 13.890 ( 0.000 -29.098 0.000) 29.098 13.975 ( 0.000 -19.151 0.000) 19.151 14.213 ( 0.000 -11.506 0.000) 11.506 14.528 ( 0.000 -12.723 0.000) 12.723 15.994 ( 0.000 36.313 0.000) 36.313 16.480 ( 0.000 20.039 0.000) 20.039 17.855 ( 0.000 34.465 0.000) 34.465 18.242 ( 0.000 33.162 0.000) 33.162 18.570 ( 0.000 -21.952 0.000) 21.952 18.632 ( 0.000 -22.127 0.000) 22.127 21.529 ( 0.000 -8.994 0.000) 8.994 21.558 ( 0.000 -8.335 0.000) 8.335 22.181 ( 0.000 0.306 0.000) 0.306 22.507 ( 0.000 16.291 0.000) 16.291 22.619 ( 0.000 17.944 0.000) 17.944 22.629 ( 0.000 1.359 0.000) 1.359 28.650 ( 0.000 11.925 0.000) 11.925 28.732 ( 0.000 9.980 0.000) 9.980 28.787 ( 0.000 12.726 0.000) 12.726 28.799 ( 0.000 11.662 0.000) 11.662 29.290 ( 0.000 22.821 0.000) 22.821 29.638 ( 0.000 7.394 0.000) 7.394 29.809 ( 0.000 6.099 0.000) 6.099 29.837 ( 0.000 -2.270 0.000) 2.270 29.932 ( 0.000 -4.117 0.000) 4.117 30.100 ( 0.000 -4.322 0.000) 4.322 30.620 ( 0.000 -9.924 0.000) 9.924 31.060 ( 0.000 -10.527 0.000) 10.527 31.146 ( 0.000 -0.208 0.000) 0.208 31.238 ( 0.000 -4.172 0.000) 4.172 31.495 ( 0.000 -1.898 0.000) 1.898 31.788 ( 0.000 -6.465 0.000) 6.465 33.314 ( 0.000 6.485 0.000) 6.485 33.378 ( 0.000 2.752 0.000) 2.752 34.259 ( 0.000 -7.787 0.000) 7.787 35.714 ( 0.000 -32.998 0.000) 32.998 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 7.565 22.645 0.000) 23.876 1.622 ( 8.181 23.552 0.000) 24.932 1.741 ( -7.680 30.959 0.000) 31.897 1.993 ( 2.395 14.299 0.000) 14.498 2.328 ( 2.003 20.065 0.000) 20.164 2.412 ( 6.354 5.308 0.000) 8.280 2.786 ( 10.556 -4.910 0.000) 11.643 2.815 ( 32.125 39.565 0.000) 50.965 3.144 ( 1.271 15.933 0.000) 15.984 3.159 ( 14.906 -11.770 0.000) 18.993 3.588 ( -28.037 16.398 0.000) 32.480 3.766 ( 8.915 3.473 0.000) 9.567 3.924 ( -9.784 11.722 0.000) 15.269 4.093 ( -21.236 -9.442 0.000) 23.241 4.344 ( -23.879 -10.736 0.000) 26.182 4.485 ( -13.524 12.122 0.000) 18.162 4.731 ( -4.282 6.226 0.000) 7.556 4.816 ( -1.726 -2.095 0.000) 2.715 4.946 ( 6.251 14.662 0.000) 15.939 4.947 ( -4.024 8.774 0.000) 9.653 5.013 ( -10.825 -4.592 0.000) 11.758 5.127 ( 1.906 -6.394 0.000) 6.673 5.223 ( 13.812 -12.136 0.000) 18.386 5.397 ( 17.224 9.298 0.000) 19.573 5.447 ( 11.260 11.544 0.000) 16.126 5.500 ( -6.196 -6.932 0.000) 9.298 5.624 ( 9.106 -4.285 0.000) 10.064 5.637 ( 3.041 -8.210 0.000) 8.755 5.722 ( -1.638 -3.479 0.000) 3.846 5.735 ( 13.668 -1.967 0.000) 13.809 6.047 ( 2.402 -10.830 0.000) 11.094 6.213 ( 6.704 -0.886 0.000) 6.763 6.227 ( -3.221 -3.311 0.000) 4.619 6.360 ( -5.470 -1.928 0.000) 5.800 6.503 ( -4.430 3.410 0.000) 5.590 6.584 ( 0.235 13.108 0.000) 13.110 6.620 ( 2.029 -2.792 0.000) 3.452 6.859 ( 10.241 7.749 0.000) 12.842 7.009 ( 2.716 5.619 0.000) 6.241 7.012 ( -8.438 2.308 0.000) 8.748 7.322 ( 0.550 8.994 0.000) 9.011 7.482 ( 9.517 8.191 0.000) 12.557 7.539 ( -11.403 -7.122 0.000) 13.444 7.776 ( -4.388 -1.793 0.000) 4.740 7.810 ( 1.915 -2.861 0.000) 3.443 7.939 ( -3.671 3.053 0.000) 4.775 8.106 ( -4.760 6.908 0.000) 8.389 8.280 ( -0.156 9.122 0.000) 9.123 8.726 ( -2.435 12.383 0.000) 12.620 9.022 ( -4.492 12.373 0.000) 13.163 9.414 ( -7.002 -15.874 0.000) 17.349 9.574 ( -7.120 -15.317 0.000) 16.891 10.123 ( -2.832 5.846 0.000) 6.496 10.127 ( 2.599 1.310 0.000) 2.911 10.235 ( -7.735 9.078 0.000) 11.926 10.499 ( -4.278 0.332 0.000) 4.291 10.620 ( 6.789 2.074 0.000) 7.099 10.764 ( 8.012 4.523 0.000) 9.201 10.963 ( 6.030 -1.938 0.000) 6.333 11.109 ( -15.109 13.760 0.000) 20.436 11.175 ( 3.709 4.721 0.000) 6.003 11.184 ( -14.205 14.413 0.000) 20.237 11.613 ( 10.885 3.546 0.000) 11.448 11.729 ( 10.716 3.870 0.000) 11.394 11.992 ( 14.619 11.068 0.000) 18.336 12.146 ( 11.647 14.888 0.000) 18.903 13.151 ( -3.250 -9.675 0.000) 10.206 13.215 ( -4.623 -12.813 0.000) 13.622 13.248 ( -6.429 -14.459 0.000) 15.824 13.600 ( -13.066 -19.386 0.000) 23.379 13.880 ( -0.951 -18.984 0.000) 19.008 13.911 ( 2.038 -29.214 0.000) 29.285 13.944 ( 4.831 -31.100 0.000) 31.473 14.001 ( 2.170 -19.623 0.000) 19.743 14.163 ( -4.570 -11.373 0.000) 12.257 14.466 ( -6.218 -12.221 0.000) 13.712 15.989 ( -0.119 34.040 0.000) 34.040 16.344 ( -10.033 24.573 0.000) 26.543 17.549 ( -23.415 22.433 0.000) 32.427 17.705 ( -33.179 16.415 0.000) 37.018 18.935 ( 26.536 -10.625 0.000) 28.584 19.124 ( 31.845 -6.214 0.000) 32.445 21.448 ( -7.743 -8.991 0.000) 11.866 21.578 ( -1.133 -9.492 0.000) 9.559 22.266 ( 7.736 2.248 0.000) 8.056 22.530 ( 2.201 16.428 0.000) 16.575 22.587 ( -2.549 3.018 0.000) 3.951 22.632 ( 1.242 17.980 0.000) 18.022 28.706 ( 5.473 11.600 0.000) 12.827 28.733 ( 0.214 10.121 0.000) 10.123 28.790 ( -0.752 11.455 0.000) 11.480 28.829 ( 3.915 12.278 0.000) 12.887 29.206 ( -6.243 20.443 0.000) 21.375 29.571 ( -20.031 10.654 0.000) 22.688 29.687 ( 4.669 7.305 0.000) 8.669 29.822 ( 0.189 5.968 0.000) 5.971 30.048 ( 9.425 -3.824 0.000) 10.171 30.071 ( -1.624 -3.000 0.000) 3.411 30.478 ( -12.171 -4.455 0.000) 12.960 31.061 ( -2.505 -11.523 0.000) 11.792 31.236 ( 7.103 -5.569 0.000) 9.026 31.311 ( 7.010 -6.309 0.000) 9.431 31.497 ( -0.746 -4.153 0.000) 4.220 31.915 ( 9.919 -15.597 0.000) 18.484 33.359 ( 4.373 5.776 0.000) 7.244 33.451 ( 7.317 1.706 0.000) 7.514 34.219 ( -3.955 -7.296 0.000) 8.299 35.564 ( -14.650 -29.831 0.000) 33.234 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 12.124 11.969 0.000) 17.036 1.634 ( -4.603 24.113 0.000) 24.548 1.982 ( 28.150 8.220 0.000) 29.325 2.133 ( 6.003 26.533 0.000) 27.204 2.428 ( -7.860 22.996 0.000) 24.302 2.447 ( 9.775 4.867 0.000) 10.920 2.935 ( -14.514 13.515 0.000) 19.832 3.045 ( 12.269 3.778 0.000) 12.838 3.062 ( -9.132 4.323 0.000) 10.104 3.162 ( -10.555 -6.563 0.000) 12.429 3.554 ( 10.455 -9.731 0.000) 14.283 3.755 ( -8.322 -2.777 0.000) 8.773 3.893 ( 9.830 1.041 0.000) 9.885 4.008 ( 13.988 23.056 0.000) 26.967 4.070 ( 7.189 13.998 0.000) 15.736 4.407 ( 1.083 -2.069 0.000) 2.335 4.579 ( -10.861 11.962 0.000) 16.158 4.708 ( -11.430 14.128 0.000) 18.172 4.744 ( -11.880 2.893 0.000) 12.227 4.844 ( -6.935 5.660 0.000) 8.952 4.951 ( -10.208 -0.391 0.000) 10.216 5.210 ( 8.205 2.997 0.000) 8.735 5.326 ( -6.739 -1.921 0.000) 7.007 5.436 ( 0.465 -2.061 0.000) 2.113 5.470 ( 5.895 -10.493 0.000) 12.036 5.635 ( -0.470 -5.777 0.000) 5.796 5.681 ( 8.870 1.367 0.000) 8.975 5.752 ( 4.092 -12.297 0.000) 12.960 5.794 ( 7.630 -2.520 0.000) 8.036 6.118 ( 11.533 5.109 0.000) 12.614 6.120 ( -3.466 3.845 0.000) 5.176 6.175 ( -3.667 2.245 0.000) 4.300 6.286 ( 0.461 -3.436 0.000) 3.467 6.325 ( 10.868 -0.950 0.000) 10.909 6.421 ( -1.040 4.532 0.000) 4.649 6.551 ( 2.590 1.224 0.000) 2.865 6.839 ( 16.647 -3.081 0.000) 16.930 6.851 ( -6.916 3.423 0.000) 7.717 6.993 ( 5.274 0.724 0.000) 5.323 7.183 ( 9.235 8.979 0.000) 12.881 7.285 ( -4.448 3.865 0.000) 5.893 7.302 ( -11.607 -1.492 0.000) 11.703 7.483 ( -9.399 4.956 0.000) 10.625 7.664 ( -6.199 3.409 0.000) 7.075 7.804 ( -3.842 4.738 0.000) 6.100 7.897 ( 2.558 5.043 0.000) 5.654 8.131 ( 7.116 5.103 0.000) 8.756 8.280 ( -1.144 6.313 0.000) 6.416 8.690 ( 0.469 14.309 0.000) 14.316 8.886 ( -8.902 12.672 0.000) 15.486 9.240 ( -9.265 -13.180 0.000) 16.110 9.416 ( -9.291 -11.236 0.000) 14.580 10.059 ( -6.162 3.286 0.000) 6.983 10.131 ( -3.262 3.424 0.000) 4.729 10.142 ( 0.148 5.933 0.000) 5.935 10.370 ( -9.174 7.035 0.000) 11.561 10.673 ( 0.210 5.794 0.000) 5.798 10.832 ( -11.578 15.709 0.000) 19.515 10.871 ( 1.149 3.648 0.000) 3.824 10.973 ( -7.031 13.663 0.000) 15.366 11.164 ( 14.405 -3.088 0.000) 14.733 11.321 ( 10.544 3.162 0.000) 11.007 11.786 ( 5.772 0.644 0.000) 5.808 11.885 ( 4.587 0.011 0.000) 4.587 12.290 ( 15.121 6.466 0.000) 16.445 12.423 ( 15.356 8.915 0.000) 17.756 13.057 ( -6.348 -8.551 0.000) 10.650 13.112 ( -5.502 -13.734 0.000) 14.795 13.150 ( -1.772 -14.663 0.000) 14.770 13.362 ( -9.736 -15.059 0.000) 17.933 13.815 ( -6.576 -17.057 0.000) 18.280 13.951 ( 2.066 -29.189 0.000) 29.262 13.979 ( -6.334 -14.749 0.000) 16.051 14.028 ( 4.034 -32.314 0.000) 32.565 14.114 ( 1.075 -18.043 0.000) 18.075 14.307 ( -9.086 -12.588 0.000) 15.524 16.013 ( 3.102 28.826 0.000) 28.992 16.210 ( -2.838 25.297 0.000) 25.456 17.086 ( -23.957 16.645 0.000) 29.172 17.109 ( -26.464 16.560 0.000) 31.219 19.484 ( 28.894 -6.932 0.000) 29.714 19.707 ( 27.783 -7.112 0.000) 28.679 21.247 ( -12.654 -8.975 0.000) 15.513 21.424 ( -14.667 -8.520 0.000) 16.962 22.429 ( 7.836 6.727 0.000) 10.327 22.577 ( 2.148 16.577 0.000) 16.716 22.586 ( 2.530 5.895 0.000) 6.415 22.666 ( 2.090 17.815 0.000) 17.937 28.742 ( 0.653 10.558 0.000) 10.579 28.779 ( 0.023 11.192 0.000) 11.192 28.827 ( 4.337 12.268 0.000) 13.012 28.914 ( 5.434 10.919 0.000) 12.196 29.146 ( 1.998 16.167 0.000) 16.290 29.231 ( -13.767 17.258 0.000) 22.077 29.745 ( -7.231 5.451 0.000) 9.056 29.796 ( 4.167 7.520 0.000) 8.598 30.107 ( 4.559 -0.481 0.000) 4.584 30.211 ( 5.953 -4.083 0.000) 7.219 30.232 ( -10.318 0.653 0.000) 10.339 30.948 ( -8.509 -8.545 0.000) 12.059 31.372 ( 6.255 -11.059 0.000) 12.706 31.477 ( -0.687 -6.742 0.000) 6.777 31.480 ( 9.810 -10.835 0.000) 14.616 32.046 ( 2.391 -22.260 0.000) 22.388 33.471 ( 6.885 3.862 0.000) 7.895 33.649 ( 12.716 -0.854 0.000) 12.744 34.111 ( -7.002 -5.902 0.000) 9.158 35.190 ( -22.508 -22.671 0.000) 31.947 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -1.105 22.057 0.000) 22.084 1.722 ( 9.464 9.828 0.000) 13.644 2.018 ( -10.645 19.288 0.000) 22.030 2.152 ( -11.698 19.168 0.000) 22.456 2.405 ( -20.360 -12.383 0.000) 23.830 2.618 ( 31.821 -7.838 0.000) 32.772 2.769 ( -21.193 -8.772 0.000) 22.936 3.036 ( 17.997 4.245 0.000) 18.491 3.054 ( 21.297 19.515 0.000) 28.886 3.421 ( 21.627 6.898 0.000) 22.701 3.643 ( -0.152 -6.059 0.000) 6.061 3.650 ( -0.766 -2.901 0.000) 3.001 4.105 ( -23.007 0.740 0.000) 23.019 4.179 ( 8.910 -6.216 0.000) 10.864 4.237 ( 6.639 13.604 0.000) 15.137 4.330 ( -14.840 20.399 0.000) 25.225 4.476 ( -12.000 4.714 0.000) 12.892 4.497 ( 6.130 35.688 0.000) 36.210 4.658 ( -4.780 7.777 0.000) 9.129 4.669 ( 8.771 13.814 0.000) 16.364 4.761 ( -2.216 -3.186 0.000) 3.881 5.158 ( -11.124 -5.287 0.000) 12.317 5.348 ( 5.888 4.157 0.000) 7.207 5.481 ( -1.798 0.549 0.000) 1.880 5.538 ( 7.955 -2.514 0.000) 8.342 5.743 ( 6.803 -5.696 0.000) 8.873 5.805 ( 3.962 2.466 0.000) 4.667 5.840 ( 4.370 -13.508 0.000) 14.198 5.885 ( -10.204 0.590 0.000) 10.221 5.901 ( 2.386 -3.973 0.000) 4.634 6.122 ( -4.870 -2.100 0.000) 5.303 6.223 ( 2.201 -4.154 0.000) 4.701 6.357 ( 4.307 4.603 0.000) 6.304 6.401 ( 2.978 -5.480 0.000) 6.237 6.568 ( 14.070 0.707 0.000) 14.087 6.656 ( 0.485 -2.700 0.000) 2.743 6.823 ( 4.968 6.640 0.000) 8.293 6.970 ( -11.079 -3.126 0.000) 11.512 7.000 ( -7.801 2.220 0.000) 8.110 7.168 ( -6.559 -1.111 0.000) 6.652 7.197 ( -1.890 -0.199 0.000) 1.901 7.289 ( 1.980 11.835 0.000) 11.999 7.376 ( 7.419 4.471 0.000) 8.662 7.530 ( -3.533 11.123 0.000) 11.670 7.793 ( 3.773 6.517 0.000) 7.530 8.031 ( 10.358 9.377 0.000) 13.972 8.165 ( -7.982 4.462 0.000) 9.145 8.262 ( 0.743 3.373 0.000) 3.454 8.731 ( -3.998 9.528 0.000) 10.333 8.797 ( 9.828 13.700 0.000) 16.860 9.101 ( -5.313 -5.958 0.000) 7.982 9.183 ( -15.079 -3.697 0.000) 15.526 9.935 ( -5.604 1.330 0.000) 5.760 10.002 ( -8.535 6.695 0.000) 10.847 10.156 ( 0.076 5.529 0.000) 5.530 10.195 ( -6.576 9.728 0.000) 11.742 10.674 ( 0.349 6.334 0.000) 6.344 10.699 ( -2.634 12.404 0.000) 12.680 10.856 ( -1.506 6.941 0.000) 7.102 10.885 ( -2.976 11.062 0.000) 11.455 11.455 ( 14.375 -2.570 0.000) 14.603 11.541 ( 11.365 0.933 0.000) 11.403 11.815 ( -2.748 0.169 0.000) 2.753 11.890 ( -4.055 0.438 0.000) 4.078 12.554 ( 11.751 -1.532 0.000) 11.850 12.696 ( 11.884 -2.097 0.000) 12.068 12.916 ( -7.884 -8.567 0.000) 11.643 13.003 ( -5.828 -13.389 0.000) 14.602 13.229 ( 10.033 -10.296 0.000) 14.376 13.272 ( 1.190 -12.704 0.000) 12.759 13.625 ( -11.940 -12.170 0.000) 17.049 13.790 ( -13.077 -9.968 0.000) 16.443 13.993 ( 2.314 -28.041 0.000) 28.136 14.103 ( 3.547 -30.945 0.000) 31.148 14.110 ( -3.184 -20.506 0.000) 20.752 14.185 ( -1.902 -21.556 0.000) 21.640 16.117 ( 7.622 23.688 0.000) 24.884 16.235 ( 5.236 22.063 0.000) 22.675 16.632 ( -20.151 16.763 0.000) 26.212 16.699 ( -17.919 17.205 0.000) 24.842 20.038 ( 27.859 -6.984 0.000) 28.721 20.204 ( 23.575 -8.505 0.000) 25.062 20.960 ( -17.038 -9.080 0.000) 19.306 21.055 ( -21.896 -7.837 0.000) 23.256 22.547 ( 4.259 11.338 0.000) 12.111 22.605 ( 0.714 16.158 0.000) 16.174 22.654 ( 3.521 10.260 0.000) 10.847 22.701 ( 1.185 16.810 0.000) 16.852 28.755 ( 0.744 10.977 0.000) 11.002 28.804 ( 2.597 11.849 0.000) 12.130 28.820 ( -2.458 12.884 0.000) 13.117 29.012 ( -8.555 15.559 0.000) 17.756 29.090 ( 11.174 9.416 0.000) 14.612 29.294 ( 10.780 13.078 0.000) 16.948 29.552 ( -11.417 6.642 0.000) 13.209 29.766 ( -9.420 9.679 0.000) 13.506 30.098 ( 2.596 0.947 0.000) 2.763 30.259 ( -0.949 -2.536 0.000) 2.707 30.303 ( 10.416 -0.805 0.000) 10.447 30.752 ( -11.254 -5.357 0.000) 12.464 31.463 ( 2.974 -13.703 0.000) 14.022 31.480 ( 0.783 -10.581 0.000) 10.610 31.680 ( 10.487 -15.290 0.000) 18.541 32.014 ( -5.015 -21.731 0.000) 22.303 33.618 ( 8.179 1.373 0.000) 8.294 33.937 ( 16.882 -4.442 0.000) 17.456 33.957 ( -8.618 -3.810 0.000) 9.423 34.735 ( -23.436 -15.221 0.000) 27.945 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -9.067 21.979 0.000) 23.776 1.642 ( 9.067 21.979 0.000) 23.776 2.027 ( -12.496 1.592 0.000) 12.597 2.027 ( 12.496 1.592 0.000) 12.597 2.299 ( -20.597 -3.485 0.000) 20.890 2.299 ( 20.597 -3.485 0.000) 20.890 3.215 ( -17.924 -5.307 0.000) 18.693 3.215 ( 17.923 -5.307 0.000) 18.693 3.501 ( -21.435 -3.053 0.000) 21.652 3.501 ( 21.435 -3.053 0.000) 21.651 3.658 ( -0.852 0.590 0.000) 1.037 3.658 ( 0.852 0.591 0.000) 1.037 3.883 ( -18.554 19.084 0.000) 26.616 3.883 ( 18.554 19.084 0.000) 26.616 4.248 ( -9.984 19.105 0.000) 21.557 4.248 ( 9.984 19.105 0.000) 21.557 4.387 ( -2.078 3.275 0.000) 3.879 4.387 ( 2.078 3.275 0.000) 3.879 4.789 ( -0.051 19.724 0.000) 19.724 4.789 ( 0.051 19.724 0.000) 19.724 4.905 ( -13.137 -7.089 0.000) 14.928 4.905 ( 13.137 -7.089 0.000) 14.928 5.435 ( -2.931 5.174 0.000) 5.946 5.435 ( 2.931 5.174 0.000) 5.946 5.681 ( -6.607 -0.318 0.000) 6.615 5.681 ( 6.607 -0.318 0.000) 6.615 5.863 ( -2.754 -0.003 0.000) 2.754 5.863 ( 2.754 -0.003 0.000) 2.754 5.894 ( -2.830 -9.963 0.000) 10.357 5.894 ( 2.830 -9.963 0.000) 10.357 6.143 ( -7.501 -7.553 0.000) 10.645 6.143 ( 7.501 -7.553 0.000) 10.645 6.476 ( -6.784 -0.827 0.000) 6.835 6.476 ( 6.784 -0.827 0.000) 6.834 6.661 ( -12.351 2.599 0.000) 12.621 6.661 ( 12.351 2.599 0.000) 12.621 6.827 ( -5.970 0.721 0.000) 6.014 6.827 ( 5.970 0.721 0.000) 6.014 7.061 ( -11.120 0.587 0.000) 11.136 7.061 ( 11.120 0.587 0.000) 11.136 7.127 ( -7.200 2.787 0.000) 7.721 7.127 ( 7.200 2.787 0.000) 7.721 7.551 ( -3.878 11.673 0.000) 12.301 7.551 ( 3.878 11.673 0.000) 12.300 7.955 ( -11.563 3.573 0.000) 12.102 7.955 ( 11.563 3.573 0.000) 12.102 8.201 ( -6.176 6.778 0.000) 9.170 8.201 ( 6.176 6.778 0.000) 9.170 8.841 ( -15.177 5.095 0.000) 16.009 8.841 ( 15.177 5.095 0.000) 16.009 9.000 ( -8.542 5.494 0.000) 10.156 9.000 ( 8.542 5.494 0.000) 10.156 9.884 ( -1.685 4.415 0.000) 4.725 9.884 ( 1.685 4.415 0.000) 4.725 10.145 ( -0.347 6.463 0.000) 6.472 10.145 ( 0.347 6.463 0.000) 6.472 10.682 ( -0.204 8.257 0.000) 8.259 10.682 ( 0.204 8.257 0.000) 8.259 10.845 ( -0.861 9.817 0.000) 9.854 10.845 ( 0.861 9.817 0.000) 9.854 11.693 ( -9.551 -1.175 0.000) 9.623 11.693 ( 9.551 -1.175 0.000) 9.623 11.748 ( -9.689 0.283 0.000) 9.693 11.748 ( 9.689 0.283 0.000) 9.693 12.753 ( -9.073 -7.267 0.000) 11.625 12.753 ( 9.073 -7.267 0.000) 11.625 12.878 ( -7.384 -11.029 0.000) 13.272 12.878 ( 7.384 -11.029 0.000) 13.272 13.396 ( -10.416 -10.328 0.000) 14.668 13.396 ( 10.416 -10.328 0.000) 14.668 13.497 ( -15.880 -6.773 0.000) 17.264 13.497 ( 15.880 -6.773 0.000) 17.264 14.044 ( -2.991 -24.996 0.000) 25.175 14.044 ( 2.991 -24.996 0.000) 25.175 14.159 ( -2.006 -27.600 0.000) 27.673 14.159 ( 2.006 -27.600 0.000) 27.673 16.314 ( -12.911 19.615 0.000) 23.483 16.314 ( 12.911 19.615 0.000) 23.483 16.406 ( -12.147 18.922 0.000) 22.485 16.406 ( 12.147 18.922 0.000) 22.485 20.556 ( -24.882 -7.914 0.000) 26.110 20.556 ( 24.882 -7.914 0.000) 26.110 20.632 ( -20.960 -8.713 0.000) 22.699 20.632 ( 20.960 -8.713 0.000) 22.699 22.600 ( -1.353 14.509 0.000) 14.572 22.600 ( 1.353 14.509 0.000) 14.572 22.702 ( -1.215 14.368 0.000) 14.419 22.702 ( 1.215 14.368 0.000) 14.419 28.777 ( -1.675 11.697 0.000) 11.816 28.777 ( 1.675 11.697 0.000) 11.816 28.879 ( -5.236 13.527 0.000) 14.505 28.879 ( 5.236 13.527 0.000) 14.505 29.320 ( -12.151 8.150 0.000) 14.631 29.320 ( 12.151 8.150 0.000) 14.631 29.530 ( -12.992 11.174 0.000) 17.136 29.530 ( 12.992 11.174 0.000) 17.136 30.193 ( -5.153 -0.220 0.000) 5.158 30.193 ( 5.153 -0.220 0.000) 5.158 30.524 ( -11.864 -2.729 0.000) 12.173 30.524 ( 11.864 -2.729 0.000) 12.173 31.491 ( -0.078 -13.431 0.000) 13.431 31.491 ( 0.078 -13.431 0.000) 13.431 31.873 ( -9.028 -19.036 0.000) 21.068 31.873 ( 9.028 -19.036 0.000) 21.068 33.785 ( -8.858 -1.288 0.000) 8.951 33.785 ( 8.858 -1.288 0.000) 8.951 34.303 ( -20.706 -9.126 0.000) 22.628 34.303 ( 20.706 -9.126 0.000) 22.628 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.000 21.323 0.000) 21.323 2.027 ( 0.000 19.299 0.000) 19.299 2.177 ( 0.000 11.338 0.000) 11.338 2.275 ( 0.000 4.484 0.000) 4.484 2.574 ( 0.000 16.024 0.000) 16.024 2.666 ( 0.000 1.095 0.000) 1.095 2.762 ( 0.000 22.627 0.000) 22.627 2.839 ( 0.000 0.229 0.000) 0.229 3.078 ( 0.000 20.300 0.000) 20.300 3.322 ( 0.000 -1.521 0.000) 1.521 3.730 ( 0.000 -7.294 0.000) 7.294 3.769 ( 0.000 9.097 0.000) 9.097 4.165 ( 0.000 -9.301 0.000) 9.301 4.332 ( 0.000 -15.341 0.000) 15.341 4.576 ( 0.000 -12.317 0.000) 12.317 4.634 ( 0.000 -15.269 0.000) 15.269 4.678 ( 0.000 6.731 0.000) 6.731 4.856 ( 0.000 -4.083 0.000) 4.083 4.892 ( 0.000 7.361 0.000) 7.361 4.906 ( 0.000 -2.231 0.000) 2.231 5.170 ( 0.000 2.164 0.000) 2.164 5.173 ( 0.000 17.810 0.000) 17.810 5.206 ( 0.000 -10.945 0.000) 10.945 5.268 ( 0.000 3.896 0.000) 3.896 5.420 ( 0.000 -6.622 0.000) 6.622 5.457 ( 0.000 26.126 0.000) 26.126 5.475 ( 0.000 9.813 0.000) 9.813 5.629 ( 0.000 -13.827 0.000) 13.827 5.650 ( 0.000 4.129 0.000) 4.129 5.724 ( 0.000 -13.344 0.000) 13.344 5.892 ( 0.000 29.403 0.000) 29.403 5.966 ( 0.000 -1.123 0.000) 1.123 6.336 ( 0.000 -7.300 0.000) 7.300 6.465 ( 0.000 0.890 0.000) 0.890 6.472 ( 0.000 7.381 0.000) 7.381 6.746 ( 0.000 2.486 0.000) 2.486 6.854 ( 0.000 14.518 0.000) 14.518 7.027 ( 0.000 15.376 0.000) 15.376 7.103 ( 0.000 13.036 0.000) 13.036 7.189 ( 0.000 0.130 0.000) 0.130 7.394 ( 0.000 -15.669 0.000) 15.669 7.449 ( 0.000 7.828 0.000) 7.828 7.602 ( 0.000 10.894 0.000) 10.894 7.616 ( 0.000 -9.328 0.000) 9.328 7.846 ( 0.000 3.439 0.000) 3.439 8.053 ( 0.000 3.883 0.000) 3.883 8.352 ( 0.000 11.762 0.000) 11.762 8.545 ( 0.000 14.536 0.000) 14.536 8.938 ( 0.000 7.308 0.000) 7.308 9.126 ( 0.000 -18.040 0.000) 18.040 9.197 ( 0.000 1.798 0.000) 1.798 9.352 ( 0.000 -13.920 0.000) 13.920 10.092 ( 0.000 -0.449 0.000) 0.449 10.350 ( 0.000 7.418 0.000) 7.418 10.495 ( 0.000 -1.732 0.000) 1.732 10.516 ( 0.000 1.630 0.000) 1.630 10.553 ( 0.000 8.014 0.000) 8.014 10.811 ( 0.000 10.342 0.000) 10.342 11.016 ( 0.000 12.802 0.000) 12.802 11.292 ( 0.000 10.706 0.000) 10.706 11.545 ( 0.000 11.798 0.000) 11.798 11.582 ( 0.000 8.996 0.000) 8.996 11.604 ( 0.000 8.352 0.000) 8.352 11.810 ( 0.000 11.335 0.000) 11.335 12.175 ( 0.000 20.006 0.000) 20.006 12.416 ( 0.000 19.895 0.000) 19.895 12.908 ( 0.000 -16.013 0.000) 16.013 12.977 ( 0.000 -18.855 0.000) 18.855 12.998 ( 0.000 -13.848 0.000) 13.848 13.142 ( 0.000 -33.861 0.000) 33.861 13.239 ( 0.000 -32.509 0.000) 32.509 13.334 ( 0.000 -24.249 0.000) 24.249 13.437 ( 0.000 -23.970 0.000) 23.970 13.519 ( 0.000 -24.785 0.000) 24.785 13.930 ( 0.000 -15.983 0.000) 15.983 14.226 ( 0.000 -16.764 0.000) 16.764 16.658 ( 0.000 28.152 0.000) 28.152 16.880 ( 0.000 18.734 0.000) 18.734 18.156 ( 0.000 -18.295 0.000) 18.295 18.204 ( 0.000 -19.406 0.000) 19.406 18.632 ( 0.000 40.466 0.000) 40.466 18.968 ( 0.000 36.940 0.000) 36.940 21.265 ( 0.000 -17.170 0.000) 17.170 21.316 ( 0.000 -15.598 0.000) 15.598 22.285 ( 0.000 9.628 0.000) 9.628 22.686 ( 0.000 4.128 0.000) 4.128 22.779 ( 0.000 9.748 0.000) 9.748 22.900 ( 0.000 8.756 0.000) 8.756 28.911 ( 0.000 13.022 0.000) 13.022 28.945 ( 0.000 10.478 0.000) 10.478 29.036 ( 0.000 11.018 0.000) 11.018 29.064 ( 0.000 13.607 0.000) 13.607 29.677 ( 0.000 14.789 0.000) 14.789 29.788 ( 0.000 -2.371 0.000) 2.371 29.807 ( 0.000 8.550 0.000) 8.550 29.843 ( 0.000 -4.214 0.000) 4.214 29.954 ( 0.000 8.079 0.000) 8.079 29.996 ( 0.000 -5.788 0.000) 5.788 30.396 ( 0.000 -11.751 0.000) 11.751 30.838 ( 0.000 -11.139 0.000) 11.139 31.136 ( 0.000 -1.458 0.000) 1.458 31.180 ( 0.000 -0.150 0.000) 0.150 31.424 ( 0.000 -4.881 0.000) 4.881 31.636 ( 0.000 -8.170 0.000) 8.170 33.441 ( 0.000 4.878 0.000) 4.878 33.492 ( 0.000 9.686 0.000) 9.686 34.081 ( 0.000 -9.388 0.000) 9.388 35.059 ( 0.000 -30.211 0.000) 30.211 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.12 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -1.291 19.732 0.000) 19.775 2.041 ( 2.157 17.832 0.000) 17.962 2.270 ( 11.571 8.840 0.000) 14.561 2.377 ( -14.924 27.337 0.000) 31.146 2.485 ( 18.634 4.731 0.000) 19.225 2.618 ( -6.958 8.189 0.000) 10.746 2.769 ( 9.005 2.448 0.000) 9.332 3.009 ( 14.381 -0.169 0.000) 14.382 3.188 ( -8.311 -9.086 0.000) 12.314 3.268 ( -2.737 4.783 0.000) 5.510 3.664 ( -8.206 -2.314 0.000) 8.526 3.786 ( -3.320 -2.197 0.000) 3.981 4.103 ( 8.058 8.524 0.000) 11.730 4.245 ( -25.425 12.261 0.000) 28.227 4.268 ( -1.219 4.507 0.000) 4.669 4.496 ( -14.412 -5.490 0.000) 15.422 4.789 ( 13.636 -14.050 0.000) 19.579 4.830 ( -2.938 -4.628 0.000) 5.482 4.872 ( -6.150 -3.059 0.000) 6.869 4.904 ( 2.638 7.207 0.000) 7.675 5.134 ( -1.941 6.604 0.000) 6.883 5.170 ( 4.292 5.304 0.000) 6.823 5.276 ( 4.360 -11.938 0.000) 12.709 5.384 ( 2.746 -2.940 0.000) 4.023 5.425 ( -3.252 22.574 0.000) 22.807 5.474 ( -6.741 -9.978 0.000) 12.041 5.494 ( 7.148 -4.920 0.000) 8.678 5.648 ( -2.539 -6.889 0.000) 7.342 5.694 ( 10.910 8.223 0.000) 13.662 5.881 ( 10.307 -0.535 0.000) 10.321 6.087 ( 19.380 26.396 0.000) 32.747 6.202 ( 20.343 -1.120 0.000) 20.373 6.265 ( -10.765 5.829 0.000) 12.242 6.310 ( -2.941 -2.806 0.000) 4.065 6.447 ( -0.323 -0.290 0.000) 0.434 6.697 ( -5.479 3.909 0.000) 6.731 6.861 ( -15.160 4.363 0.000) 15.776 6.951 ( 0.233 4.698 0.000) 4.704 7.041 ( -9.486 0.683 0.000) 9.510 7.178 ( 11.490 13.682 0.000) 17.867 7.395 ( -0.264 -4.441 0.000) 4.448 7.493 ( -1.125 6.607 0.000) 6.703 7.632 ( 2.488 6.850 0.000) 7.288 7.733 ( 3.172 -1.698 0.000) 3.598 7.862 ( 8.047 6.981 0.000) 10.653 8.018 ( -3.306 5.261 0.000) 6.213 8.293 ( -4.473 11.736 0.000) 12.560 8.504 ( -3.538 12.168 0.000) 12.672 8.932 ( -0.524 7.920 0.000) 7.937 9.108 ( -2.511 -13.998 0.000) 14.221 9.174 ( -2.999 2.381 0.000) 3.830 9.293 ( -4.579 -12.396 0.000) 13.214 10.142 ( 3.942 0.032 0.000) 3.943 10.270 ( -4.823 7.963 0.000) 9.310 10.377 ( -9.631 3.807 0.000) 10.356 10.489 ( -0.450 -0.824 0.000) 0.939 10.721 ( 11.202 7.116 0.000) 13.271 10.891 ( 5.333 6.010 0.000) 8.035 11.017 ( 0.959 11.451 0.000) 11.491 11.322 ( 3.287 10.252 0.000) 10.767 11.399 ( -11.893 14.891 0.000) 19.058 11.466 ( -8.955 13.702 0.000) 16.369 11.682 ( 5.560 4.040 0.000) 6.872 11.859 ( 3.695 7.856 0.000) 8.682 12.311 ( 11.385 17.854 0.000) 21.175 12.494 ( 6.575 17.250 0.000) 18.461 12.885 ( -2.348 -15.634 0.000) 15.809 12.896 ( -6.546 -19.503 0.000) 20.572 12.954 ( -4.075 -12.860 0.000) 13.490 13.099 ( -4.512 -28.801 0.000) 29.152 13.261 ( 1.696 -32.607 0.000) 32.651 13.324 ( -0.102 -27.397 0.000) 27.398 13.428 ( -1.403 -24.491 0.000) 24.531 13.528 ( 0.762 -25.921 0.000) 25.932 13.889 ( -4.049 -15.271 0.000) 15.799 14.174 ( -5.257 -16.151 0.000) 16.985 16.622 ( -3.164 27.225 0.000) 27.409 16.801 ( -6.615 20.280 0.000) 21.331 17.824 ( -24.066 0.767 0.000) 24.078 17.860 ( -25.074 -1.491 0.000) 25.118 19.001 ( 25.987 19.487 0.000) 32.482 19.269 ( 23.073 20.335 0.000) 30.755 21.223 ( -4.640 -14.290 0.000) 15.024 21.329 ( -0.379 -15.392 0.000) 15.397 22.360 ( 7.277 7.551 0.000) 10.487 22.661 ( -1.530 4.476 0.000) 4.730 22.798 ( 1.788 9.268 0.000) 9.439 22.909 ( 0.860 8.448 0.000) 8.491 28.950 ( 0.514 10.621 0.000) 10.633 28.960 ( 4.768 12.545 0.000) 13.420 29.024 ( -0.931 11.048 0.000) 11.088 29.094 ( 2.778 12.891 0.000) 13.187 29.555 ( -7.487 13.141 0.000) 15.124 29.689 ( -8.991 2.424 0.000) 9.312 29.851 ( 4.201 8.141 0.000) 9.161 29.932 ( -2.937 1.650 0.000) 3.369 29.976 ( 8.771 -2.715 0.000) 9.182 30.025 ( 3.574 1.535 0.000) 3.889 30.348 ( -4.827 -8.289 0.000) 9.592 30.822 ( -1.985 -11.595 0.000) 11.763 31.148 ( 1.024 -3.081 0.000) 3.246 31.197 ( 1.913 -3.714 0.000) 4.178 31.399 ( -2.504 -5.462 0.000) 6.009 31.653 ( 1.199 -11.130 0.000) 11.195 33.487 ( 4.314 4.821 0.000) 6.469 33.524 ( 3.403 7.582 0.000) 8.311 34.053 ( -2.734 -8.702 0.000) 9.121 34.966 ( -9.210 -27.863 0.000) 29.346 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.25 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 5.191 14.419 0.000) 15.325 2.108 ( -4.587 18.757 0.000) 19.310 2.194 ( 6.652 13.813 0.000) 15.331 2.484 ( -8.005 -0.207 0.000) 8.008 2.565 ( 11.964 10.892 0.000) 16.179 2.743 ( -1.927 4.272 0.000) 4.686 2.862 ( -19.162 -15.542 0.000) 24.672 3.008 ( 17.799 3.638 0.000) 18.167 3.132 ( -7.709 3.555 0.000) 8.489 3.247 ( 4.840 8.630 0.000) 9.894 3.442 ( -4.357 3.932 0.000) 5.869 3.638 ( -7.664 -5.802 0.000) 9.612 3.955 ( -1.221 5.015 0.000) 5.162 4.268 ( -8.815 -7.351 0.000) 11.478 4.269 ( 7.769 9.387 0.000) 12.185 4.584 ( 22.907 14.442 0.000) 27.079 4.695 ( -7.904 -6.402 0.000) 10.172 4.785 ( -3.444 2.791 0.000) 4.433 4.918 ( 2.179 4.821 0.000) 5.291 4.998 ( 1.523 -0.175 0.000) 1.533 5.002 ( -10.859 8.736 0.000) 13.937 5.266 ( -4.927 0.672 0.000) 4.972 5.313 ( 6.584 1.810 0.000) 6.829 5.359 ( -1.173 7.432 0.000) 7.524 5.405 ( -1.312 -14.305 0.000) 14.365 5.410 ( 2.915 0.293 0.000) 2.930 5.646 ( 3.593 -0.028 0.000) 3.593 5.658 ( 9.111 -1.452 0.000) 9.226 5.826 ( 6.818 3.813 0.000) 7.811 6.084 ( 6.838 -4.380 0.000) 8.120 6.158 ( -0.298 1.428 0.000) 1.458 6.236 ( -6.977 0.175 0.000) 6.979 6.348 ( -0.777 9.756 0.000) 9.787 6.438 ( 4.658 6.860 0.000) 8.292 6.514 ( 0.540 2.945 0.000) 2.995 6.546 ( -9.515 -2.511 0.000) 9.841 6.732 ( 9.551 -5.339 0.000) 10.942 6.952 ( 7.663 6.899 0.000) 10.312 6.996 ( 2.389 1.522 0.000) 2.833 7.323 ( -2.997 3.606 0.000) 4.689 7.373 ( 6.648 9.208 0.000) 11.357 7.403 ( -7.656 7.163 0.000) 10.484 7.569 ( -9.849 3.890 0.000) 10.589 7.761 ( -1.067 5.052 0.000) 5.163 7.971 ( 2.105 9.929 0.000) 10.150 8.104 ( 12.268 16.012 0.000) 20.172 8.271 ( 3.141 8.795 0.000) 9.339 8.415 ( -6.140 6.308 0.000) 8.803 8.932 ( 1.053 8.866 0.000) 8.928 9.033 ( -3.640 -6.564 0.000) 7.506 9.061 ( -8.259 4.605 0.000) 9.456 9.218 ( -3.428 -8.191 0.000) 8.880 10.138 ( -9.148 4.128 0.000) 10.036 10.195 ( 0.623 2.544 0.000) 2.619 10.268 ( -0.588 6.327 0.000) 6.355 10.466 ( -2.663 2.612 0.000) 3.730 10.852 ( 1.050 11.457 0.000) 11.505 10.976 ( 3.404 5.818 0.000) 6.741 11.134 ( 11.982 2.452 0.000) 12.230 11.158 ( -11.686 16.571 0.000) 20.277 11.285 ( -8.764 16.222 0.000) 18.438 11.424 ( 7.049 7.374 0.000) 10.201 11.793 ( 4.709 0.870 0.000) 4.788 11.920 ( 1.956 3.491 0.000) 4.002 12.498 ( 2.702 9.771 0.000) 10.138 12.575 ( 1.912 1.536 0.000) 2.452 12.816 ( -4.734 -15.003 0.000) 15.732 12.851 ( 4.750 -12.125 0.000) 13.023 12.856 ( -5.834 -10.868 0.000) 12.335 13.014 ( -1.154 -15.483 0.000) 15.526 13.298 ( 2.272 -33.151 0.000) 33.228 13.353 ( 3.223 -31.379 0.000) 31.544 13.375 ( -3.948 -25.317 0.000) 25.623 13.528 ( -1.516 -27.544 0.000) 27.586 13.787 ( -5.899 -14.387 0.000) 15.550 14.026 ( -9.778 -14.607 0.000) 17.578 16.570 ( -1.328 24.717 0.000) 24.753 16.688 ( -3.968 21.116 0.000) 21.486 17.354 ( -23.271 8.370 0.000) 24.731 17.394 ( -21.546 9.277 0.000) 23.459 19.515 ( 26.268 10.564 0.000) 28.312 19.725 ( 22.899 9.275 0.000) 24.706 21.078 ( -10.286 -9.153 0.000) 13.769 21.227 ( -10.905 -11.653 0.000) 15.960 22.538 ( 9.944 4.921 0.000) 11.095 22.673 ( 3.300 3.598 0.000) 4.882 22.833 ( 1.393 8.164 0.000) 8.282 22.929 ( 1.025 7.525 0.000) 7.594 28.967 ( 1.107 10.947 0.000) 11.003 29.012 ( 0.145 11.159 0.000) 11.160 29.076 ( 5.484 11.568 0.000) 12.802 29.148 ( 2.812 10.985 0.000) 11.339 29.461 ( -3.265 13.482 0.000) 13.871 29.502 ( -6.744 10.268 0.000) 12.285 29.838 ( -6.384 2.615 0.000) 6.899 29.953 ( 5.276 7.232 0.000) 8.952 30.124 ( 6.034 -4.074 0.000) 7.280 30.124 ( 5.712 2.680 0.000) 6.309 30.223 ( -6.769 -1.965 0.000) 7.048 30.751 ( -5.358 -10.318 0.000) 11.627 31.170 ( 1.180 -7.745 0.000) 7.834 31.259 ( 4.434 -9.740 0.000) 10.701 31.336 ( -3.632 -6.834 0.000) 7.739 31.657 ( -1.281 -15.988 0.000) 16.040 33.572 ( 4.311 5.958 0.000) 7.354 33.645 ( 8.833 0.860 0.000) 8.874 33.979 ( -4.765 -6.776 0.000) 8.284 34.725 ( -14.864 -22.117 0.000) 26.648 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.38 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 11.548 10.396 0.000) 15.538 1.997 ( -2.590 17.858 0.000) 18.045 2.255 ( -10.191 -0.212 0.000) 10.194 2.398 ( -18.887 15.140 0.000) 24.206 2.469 ( 3.071 -2.726 0.000) 4.106 2.544 ( -17.685 17.518 0.000) 24.893 2.630 ( 5.158 -5.981 0.000) 7.898 3.118 ( 9.030 3.749 0.000) 9.777 3.233 ( 3.140 -2.728 0.000) 4.159 3.414 ( 9.554 -4.656 0.000) 10.629 3.541 ( 5.973 -2.853 0.000) 6.620 3.557 ( -1.464 -5.313 0.000) 5.511 4.117 ( 4.252 7.191 0.000) 8.354 4.168 ( 10.248 -2.100 0.000) 10.461 4.395 ( 3.897 7.307 0.000) 8.282 4.552 ( -5.456 0.093 0.000) 5.457 4.713 ( -8.560 9.344 0.000) 12.672 4.719 ( -2.824 2.838 0.000) 4.004 4.816 ( -13.959 4.772 0.000) 14.753 4.906 ( 6.036 7.978 0.000) 10.004 4.943 ( -8.413 -3.576 0.000) 9.142 5.312 ( 7.833 28.345 0.000) 29.407 5.385 ( -0.027 -14.380 0.000) 14.380 5.400 ( 3.949 0.128 0.000) 3.951 5.473 ( 13.865 -8.076 0.000) 16.046 5.514 ( 4.871 -0.377 0.000) 4.886 5.742 ( 3.724 1.808 0.000) 4.139 5.820 ( 6.520 -0.676 0.000) 6.554 5.895 ( -18.294 0.470 0.000) 18.300 5.968 ( 1.661 8.106 0.000) 8.274 6.130 ( -2.196 -4.463 0.000) 4.974 6.133 ( 0.840 -0.207 0.000) 0.865 6.303 ( -0.554 -3.225 0.000) 3.272 6.430 ( -5.665 0.076 0.000) 5.665 6.601 ( 6.951 -2.270 0.000) 7.313 6.601 ( 13.840 -0.362 0.000) 13.845 6.880 ( 11.427 2.189 0.000) 11.634 6.914 ( -9.982 -0.970 0.000) 10.029 7.108 ( -11.127 8.827 0.000) 14.203 7.225 ( -8.556 7.618 0.000) 11.456 7.261 ( -1.941 6.397 0.000) 6.685 7.448 ( -7.320 4.437 0.000) 8.559 7.503 ( 14.838 8.018 0.000) 16.866 7.770 ( 6.727 10.673 0.000) 12.616 8.026 ( 0.910 13.853 0.000) 13.883 8.252 ( -10.160 3.888 0.000) 10.878 8.327 ( 9.784 19.208 0.000) 21.557 8.354 ( 3.347 5.881 0.000) 6.767 8.858 ( -6.298 2.870 0.000) 6.921 9.018 ( 2.120 -2.027 0.000) 2.933 9.031 ( 4.802 8.744 0.000) 9.976 9.125 ( -7.081 -1.629 0.000) 7.266 10.001 ( -3.585 5.531 0.000) 6.591 10.149 ( -5.277 7.068 0.000) 8.820 10.276 ( 0.507 5.989 0.000) 6.011 10.376 ( -5.806 7.440 0.000) 9.437 10.856 ( 0.845 11.456 0.000) 11.487 10.979 ( -6.436 14.991 0.000) 16.314 11.020 ( 1.765 9.315 0.000) 9.481 11.147 ( -5.383 14.528 0.000) 15.493 11.406 ( 14.436 -1.568 0.000) 14.521 11.582 ( 8.927 3.445 0.000) 9.568 11.812 ( -3.640 -0.200 0.000) 3.646 11.904 ( -4.342 1.176 0.000) 4.498 12.475 ( 0.992 -9.165 0.000) 9.219 12.589 ( -0.466 -8.663 0.000) 8.676 12.712 ( -5.627 -13.515 0.000) 14.640 12.726 ( -7.523 -11.107 0.000) 13.415 13.014 ( 9.474 -7.844 0.000) 12.300 13.119 ( 9.956 -5.448 0.000) 11.349 13.283 ( -5.300 -22.935 0.000) 23.539 13.364 ( 5.135 -30.996 0.000) 31.419 13.447 ( 6.250 -29.437 0.000) 30.093 13.454 ( -5.929 -25.158 0.000) 25.847 13.670 ( -6.324 -17.836 0.000) 18.924 13.806 ( -12.318 -13.625 0.000) 18.368 16.590 ( 3.545 21.496 0.000) 21.786 16.670 ( 2.419 19.580 0.000) 19.729 16.962 ( -16.644 14.057 0.000) 21.786 17.031 ( -15.730 13.760 0.000) 20.899 20.013 ( 24.840 4.476 0.000) 25.240 20.149 ( 20.761 3.051 0.000) 20.984 20.828 ( -15.380 -5.016 0.000) 16.177 20.924 ( -19.081 -5.929 0.000) 19.981 22.705 ( 6.746 4.850 0.000) 8.308 22.778 ( 6.604 2.847 0.000) 7.191 22.842 ( -0.651 6.885 0.000) 6.916 22.935 ( -0.780 6.078 0.000) 6.128 28.987 ( 1.158 11.250 0.000) 11.309 29.047 ( 3.454 11.411 0.000) 11.922 29.077 ( -2.927 11.616 0.000) 11.979 29.247 ( 0.171 8.050 0.000) 8.052 29.340 ( 1.026 13.529 0.000) 13.568 29.572 ( 8.406 13.496 0.000) 15.900 29.687 ( -8.906 5.925 0.000) 10.697 29.962 ( -7.581 8.475 0.000) 11.370 30.125 ( 2.349 1.751 0.000) 2.930 30.199 ( 1.589 -3.124 0.000) 3.505 30.287 ( 8.329 -0.721 0.000) 8.360 30.621 ( -7.791 -7.310 0.000) 10.683 31.194 ( 1.317 -11.487 0.000) 11.562 31.270 ( -2.960 -9.342 0.000) 9.800 31.364 ( 6.150 -14.623 0.000) 15.864 31.598 ( -4.612 -18.262 0.000) 18.835 33.662 ( 4.952 3.014 0.000) 5.797 33.850 ( 12.130 -3.799 0.000) 12.711 33.876 ( -5.687 -3.924 0.000) 6.909 34.417 ( -16.241 -15.366 0.000) 22.358 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -4.798 14.713 0.000) 15.475 2.032 ( 4.798 14.712 0.000) 15.475 2.228 ( -5.859 18.183 0.000) 19.103 2.228 ( 5.859 18.183 0.000) 19.104 2.272 ( -6.930 1.525 0.000) 7.096 2.272 ( 6.929 1.525 0.000) 7.095 3.017 ( -21.014 -11.371 0.000) 23.893 3.017 ( 21.014 -11.371 0.000) 23.893 3.401 ( -13.959 -5.346 0.000) 14.948 3.401 ( 13.959 -5.346 0.000) 14.948 3.549 ( -0.752 -6.709 0.000) 6.751 3.549 ( 0.752 -6.709 0.000) 6.751 4.286 ( -15.563 10.993 0.000) 19.054 4.286 ( 15.563 10.993 0.000) 19.054 4.471 ( -13.787 7.193 0.000) 15.550 4.471 ( 13.787 7.193 0.000) 15.550 4.610 ( -6.058 14.514 0.000) 15.728 4.610 ( 6.058 14.514 0.000) 15.728 4.736 ( -8.362 -7.040 0.000) 10.931 4.736 ( 8.362 -7.040 0.000) 10.931 5.165 ( -16.521 7.875 0.000) 18.302 5.165 ( 16.521 7.875 0.000) 18.302 5.444 ( -0.703 -2.823 0.000) 2.909 5.444 ( 0.703 -2.823 0.000) 2.909 5.596 ( -5.557 -6.766 0.000) 8.755 5.596 ( 5.557 -6.766 0.000) 8.755 5.790 ( -13.614 2.421 0.000) 13.827 5.790 ( 13.614 2.421 0.000) 13.827 5.873 ( -2.922 2.564 0.000) 3.887 5.873 ( 2.922 2.564 0.000) 3.887 6.124 ( -0.866 2.814 0.000) 2.944 6.124 ( 0.866 2.814 0.000) 2.944 6.393 ( -0.828 -6.441 0.000) 6.494 6.393 ( 0.828 -6.441 0.000) 6.494 6.729 ( -7.296 -0.194 0.000) 7.298 6.729 ( 7.296 -0.194 0.000) 7.298 6.817 ( -5.384 2.232 0.000) 5.828 6.817 ( 5.384 2.232 0.000) 5.828 7.149 ( -10.502 10.527 0.000) 14.870 7.149 ( 10.502 10.527 0.000) 14.870 7.216 ( -11.093 4.141 0.000) 11.841 7.216 ( 11.093 4.141 0.000) 11.841 7.803 ( -8.353 11.491 0.000) 14.206 7.803 ( 8.353 11.491 0.000) 14.206 8.073 ( -6.293 7.873 0.000) 10.079 8.073 ( 6.293 7.873 0.000) 10.079 8.388 ( -1.146 10.905 0.000) 10.965 8.388 ( 1.146 10.905 0.000) 10.965 8.927 ( -11.127 3.870 0.000) 11.781 8.927 ( 11.127 3.870 0.000) 11.781 9.075 ( -1.276 1.831 0.000) 2.232 9.075 ( 1.276 1.831 0.000) 2.232 10.026 ( -5.569 9.231 0.000) 10.781 10.026 ( 5.569 9.231 0.000) 10.781 10.293 ( -2.074 7.476 0.000) 7.758 10.293 ( 2.074 7.476 0.000) 7.758 10.894 ( -2.907 12.404 0.000) 12.740 10.894 ( 2.907 12.404 0.000) 12.740 11.065 ( -3.186 11.860 0.000) 12.280 11.065 ( 3.186 11.860 0.000) 12.280 11.661 ( -11.139 -1.662 0.000) 11.262 11.661 ( 11.139 -1.662 0.000) 11.262 11.761 ( -9.151 1.134 0.000) 9.221 11.761 ( 9.151 1.134 0.000) 9.221 12.571 ( -7.572 -11.172 0.000) 13.496 12.571 ( 7.572 -11.172 0.000) 13.496 12.618 ( -3.649 -13.246 0.000) 13.739 12.618 ( 3.649 -13.246 0.000) 13.739 13.170 ( -6.600 -14.564 0.000) 15.989 13.170 ( 6.600 -14.564 0.000) 15.989 13.311 ( -8.683 -17.362 0.000) 19.412 13.311 ( 8.683 -17.362 0.000) 19.412 13.516 ( -9.713 -22.212 0.000) 24.243 13.516 ( 9.713 -22.212 0.000) 24.243 13.590 ( -8.768 -20.735 0.000) 22.512 13.590 ( 8.768 -20.735 0.000) 22.512 16.712 ( -9.266 18.109 0.000) 20.343 16.712 ( 9.266 18.109 0.000) 20.343 16.786 ( -9.431 16.984 0.000) 19.426 16.786 ( 9.431 16.984 0.000) 19.426 20.471 ( -21.697 -0.899 0.000) 21.716 20.471 ( 21.697 -0.899 0.000) 21.716 20.537 ( -19.678 -1.183 0.000) 19.714 20.537 ( 19.678 -1.183 0.000) 19.714 22.803 ( -3.454 5.606 0.000) 6.584 22.803 ( 3.454 5.606 0.000) 6.584 22.888 ( -4.201 4.333 0.000) 6.036 22.888 ( 4.201 4.333 0.000) 6.036 29.021 ( -2.432 11.557 0.000) 11.810 29.021 ( 2.432 11.557 0.000) 11.810 29.140 ( -5.977 11.264 0.000) 12.752 29.140 ( 5.977 11.264 0.000) 12.752 29.501 ( -9.982 9.031 0.000) 13.461 29.501 ( 9.982 9.031 0.000) 13.461 29.766 ( -10.817 11.167 0.000) 15.547 29.766 ( 10.817 11.167 0.000) 15.547 30.188 ( -2.473 -0.235 0.000) 2.484 30.188 ( 2.473 -0.235 0.000) 2.484 30.457 ( -8.826 -3.860 0.000) 9.633 30.457 ( 8.826 -3.860 0.000) 9.633 31.224 ( -1.861 -11.714 0.000) 11.861 31.224 ( 1.861 -11.714 0.000) 11.861 31.488 ( -6.345 -17.639 0.000) 18.746 31.488 ( 6.345 -17.639 0.000) 18.746 33.765 ( -5.585 -0.523 0.000) 5.609 33.765 ( 5.585 -0.523 0.000) 5.609 34.112 ( -14.781 -9.120 0.000) 17.368 34.112 ( 14.781 -9.120 0.000) 17.368 ======================= Grid point 36 (21/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.000 7.361 0.000) 7.361 2.248 ( 0.000 0.395 0.000) 0.395 2.447 ( 0.000 12.265 0.000) 12.265 2.501 ( 0.000 18.067 0.000) 18.067 2.754 ( 0.000 9.803 0.000) 9.803 2.841 ( 0.000 13.986 0.000) 13.986 2.916 ( 0.000 7.006 0.000) 7.006 3.083 ( 0.000 2.062 0.000) 2.062 3.087 ( 0.000 -14.117 0.000) 14.117 3.262 ( 0.000 -4.294 0.000) 4.294 3.581 ( 0.000 -6.041 0.000) 6.041 3.838 ( 0.000 -5.907 0.000) 5.907 4.052 ( 0.000 -1.209 0.000) 1.209 4.242 ( 0.000 8.976 0.000) 8.976 4.325 ( 0.000 -13.555 0.000) 13.555 4.401 ( 0.000 -3.924 0.000) 3.924 4.636 ( 0.000 -13.015 0.000) 13.015 4.746 ( 0.000 -0.452 0.000) 0.452 4.887 ( 0.000 2.027 0.000) 2.027 5.053 ( 0.000 6.206 0.000) 6.206 5.141 ( 0.000 3.268 0.000) 3.268 5.179 ( 0.000 -0.960 0.000) 0.960 5.184 ( 0.000 -7.870 0.000) 7.870 5.304 ( 0.000 -14.390 0.000) 14.390 5.425 ( 0.000 10.434 0.000) 10.434 5.454 ( 0.000 3.383 0.000) 3.383 5.463 ( 0.000 -11.541 0.000) 11.541 5.743 ( 0.000 1.522 0.000) 1.522 5.786 ( 0.000 16.495 0.000) 16.495 6.005 ( 0.000 25.506 0.000) 25.506 6.022 ( 0.000 5.975 0.000) 5.975 6.223 ( 0.000 -3.886 0.000) 3.886 6.267 ( 0.000 5.124 0.000) 5.124 6.529 ( 0.000 5.036 0.000) 5.036 6.661 ( 0.000 8.895 0.000) 8.895 6.816 ( 0.000 6.845 0.000) 6.845 6.832 ( 0.000 -8.244 0.000) 8.244 7.041 ( 0.000 -17.915 0.000) 17.915 7.141 ( 0.000 -4.704 0.000) 4.704 7.352 ( 0.000 17.713 0.000) 17.713 7.396 ( 0.000 -12.500 0.000) 12.500 7.562 ( 0.000 3.095 0.000) 3.095 7.621 ( 0.000 21.376 0.000) 21.376 7.782 ( 0.000 6.564 0.000) 6.564 7.989 ( 0.000 10.169 0.000) 10.169 8.201 ( 0.000 15.399 0.000) 15.399 8.632 ( 0.000 14.977 0.000) 14.977 8.734 ( 0.000 -20.641 0.000) 20.641 8.852 ( 0.000 14.004 0.000) 14.004 9.047 ( 0.000 2.936 0.000) 2.936 9.055 ( 0.000 -16.192 0.000) 16.192 9.144 ( 0.000 -6.546 0.000) 6.546 10.098 ( 0.000 2.125 0.000) 2.125 10.399 ( 0.000 -6.936 0.000) 6.936 10.470 ( 0.000 0.290 0.000) 0.290 10.475 ( 0.000 -0.278 0.000) 0.278 10.856 ( 0.000 21.855 0.000) 21.855 11.102 ( 0.000 18.604 0.000) 18.604 11.382 ( 0.000 20.478 0.000) 20.478 11.588 ( 0.000 17.283 0.000) 17.283 11.737 ( 0.000 1.807 0.000) 1.807 11.784 ( 0.000 8.674 0.000) 8.674 11.803 ( 0.000 12.035 0.000) 12.035 11.969 ( 0.000 -2.305 0.000) 2.305 12.353 ( 0.000 -12.246 0.000) 12.246 12.399 ( 0.000 -20.068 0.000) 20.068 12.567 ( 0.000 -16.516 0.000) 16.516 12.612 ( 0.000 -14.561 0.000) 14.561 12.705 ( 0.000 -14.537 0.000) 14.537 12.794 ( 0.000 10.186 0.000) 10.186 12.865 ( 0.000 -20.255 0.000) 20.255 12.950 ( 0.000 -22.678 0.000) 22.678 12.999 ( 0.000 17.907 0.000) 17.907 13.008 ( 0.000 -23.953 0.000) 23.953 13.573 ( 0.000 -18.894 0.000) 18.894 13.852 ( 0.000 -19.725 0.000) 19.725 17.145 ( 0.000 20.164 0.000) 20.164 17.233 ( 0.000 15.910 0.000) 15.910 17.820 ( 0.000 -15.163 0.000) 15.163 17.843 ( 0.000 -16.199 0.000) 16.199 19.456 ( 0.000 39.478 0.000) 39.478 19.709 ( 0.000 35.048 0.000) 35.048 20.825 ( 0.000 -26.037 0.000) 26.037 20.920 ( 0.000 -23.223 0.000) 23.223 22.538 ( 0.000 14.008 0.000) 14.008 22.787 ( 0.000 5.383 0.000) 5.383 22.894 ( 0.000 1.598 0.000) 1.598 22.964 ( 0.000 -2.181 0.000) 2.181 29.138 ( 0.000 7.884 0.000) 7.884 29.146 ( 0.000 9.001 0.000) 9.001 29.231 ( 0.000 7.898 0.000) 7.898 29.298 ( 0.000 7.889 0.000) 7.889 29.742 ( 0.000 -1.781 0.000) 1.781 29.801 ( 0.000 1.509 0.000) 1.509 29.870 ( 0.000 -6.329 0.000) 6.329 29.898 ( 0.000 7.263 0.000) 7.263 29.950 ( 0.000 4.632 0.000) 4.632 30.143 ( 0.000 10.532 0.000) 10.532 30.152 ( 0.000 -11.993 0.000) 11.993 30.608 ( 0.000 -11.449 0.000) 11.449 31.123 ( 0.000 1.135 0.000) 1.135 31.220 ( 0.000 3.535 0.000) 3.535 31.308 ( 0.000 -6.182 0.000) 6.182 31.467 ( 0.000 -8.073 0.000) 8.073 33.555 ( 0.000 6.508 0.000) 6.508 33.734 ( 0.000 13.986 0.000) 13.986 33.887 ( 0.000 -9.381 0.000) 9.381 34.503 ( 0.000 -24.328 0.000) 24.328 ======================= Grid point 37 (22/60) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 1.005 12.440 0.000) 12.480 2.261 ( 1.432 2.131 0.000) 2.568 2.338 ( 2.213 3.338 0.000) 4.005 2.642 ( 4.156 7.697 0.000) 8.747 2.697 ( -6.665 7.570 0.000) 10.086 2.853 ( -20.158 11.405 0.000) 23.160 2.877 ( -14.374 -15.577 0.000) 21.195 2.880 ( 11.516 8.985 0.000) 14.606 3.109 ( 10.343 4.831 0.000) 11.416 3.245 ( -1.140 -5.529 0.000) 5.645 3.634 ( 4.932 1.350 0.000) 5.114 3.742 ( -8.546 -0.669 0.000) 8.572 4.217 ( 13.388 -1.222 0.000) 13.443 4.229 ( -7.864 -7.803 0.000) 11.079 4.413 ( 9.975 7.209 0.000) 12.308 4.538 ( -16.524 5.178 0.000) 17.317 4.552 ( 14.422 -4.226 0.000) 15.028 4.635 ( -4.546 -8.497 0.000) 9.637 4.877 ( -1.034 2.437 0.000) 2.648 5.049 ( -0.471 -1.990 0.000) 2.045 5.142 ( 1.333 4.220 0.000) 4.426 5.188 ( 2.044 -6.645 0.000) 6.953 5.210 ( 3.402 0.677 0.000) 3.469 5.225 ( -5.322 -11.674 0.000) 12.830 5.336 ( -3.042 0.499 0.000) 3.083 5.438 ( 2.592 -10.313 0.000) 10.634 5.563 ( 7.186 10.666 0.000) 12.861 5.852 ( -2.098 13.862 0.000) 14.020 5.856 ( 3.572 8.001 0.000) 8.762 5.984 ( 2.972 4.730 0.000) 5.586 6.095 ( 5.710 -4.300 0.000) 7.149 6.279 ( -3.035 -3.365 0.000) 4.532 6.283 ( 8.554 1.893 0.000) 8.761 6.516 ( -8.137 11.399 0.000) 14.006 6.645 ( 10.447 14.045 0.000) 17.505 6.746 ( -10.053 2.886 0.000) 10.459 6.781 ( -9.903 -7.573 0.000) 12.466 6.994 ( 1.566 -4.366 0.000) 4.638 7.046 ( -4.006 1.121 0.000) 4.160 7.313 ( 3.159 4.027 0.000) 5.118 7.485 ( 2.517 2.078 0.000) 3.264 7.570 ( -0.385 1.146 0.000) 1.210 7.763 ( -2.679 5.583 0.000) 6.193 7.778 ( 8.302 7.091 0.000) 10.918 8.029 ( 4.866 9.366 0.000) 10.555 8.269 ( 8.260 20.793 0.000) 22.373 8.563 ( -5.932 11.371 0.000) 12.825 8.648 ( -6.150 -3.154 0.000) 6.912 8.936 ( 5.694 2.974 0.000) 6.424 9.043 ( -0.613 1.888 0.000) 1.985 9.048 ( -0.781 -12.354 0.000) 12.379 9.134 ( -0.993 -5.140 0.000) 5.235 10.144 ( 4.219 0.977 0.000) 4.331 10.337 ( -5.763 -4.008 0.000) 7.020 10.435 ( -2.819 3.369 0.000) 4.393 10.477 ( 0.312 -0.363 0.000) 0.479 10.934 ( 7.275 17.106 0.000) 18.589 11.112 ( 0.806 16.400 0.000) 16.420 11.362 ( -1.766 19.621 0.000) 19.700 11.599 ( 1.188 16.290 0.000) 16.334 11.679 ( -8.794 8.069 0.000) 11.935 11.718 ( -6.291 8.093 0.000) 10.250 11.780 ( 2.431 6.044 0.000) 6.514 11.983 ( 0.830 -0.610 0.000) 1.030 12.391 ( 0.737 -19.381 0.000) 19.395 12.436 ( 1.441 -19.297 0.000) 19.350 12.558 ( -1.156 -15.785 0.000) 15.827 12.585 ( 0.367 -11.579 0.000) 11.585 12.685 ( -1.965 -13.330 0.000) 13.474 12.795 ( -2.041 -7.442 0.000) 7.717 12.820 ( -1.211 1.193 0.000) 1.700 12.930 ( -2.679 -23.020 0.000) 23.175 12.990 ( -1.571 -25.529 0.000) 25.578 13.035 ( 3.429 13.993 0.000) 14.407 13.551 ( -2.107 -17.698 0.000) 17.823 13.817 ( -3.554 -18.692 0.000) 19.027 17.094 ( -4.627 19.491 0.000) 20.032 17.171 ( -5.493 16.143 0.000) 17.052 17.688 ( -12.212 -10.589 0.000) 16.163 17.716 ( -11.613 -10.842 0.000) 15.887 19.590 ( 12.398 33.669 0.000) 35.879 19.817 ( 10.058 30.243 0.000) 31.871 20.836 ( 0.550 -23.820 0.000) 23.826 20.944 ( 1.501 -22.364 0.000) 22.414 22.570 ( 3.350 12.320 0.000) 12.768 22.768 ( -1.434 5.729 0.000) 5.905 22.902 ( 0.663 1.036 0.000) 1.230 22.967 ( 0.259 -2.462 0.000) 2.476 29.146 ( 0.819 8.106 0.000) 8.147 29.182 ( 3.504 8.191 0.000) 8.909 29.223 ( -0.662 8.136 0.000) 8.163 29.308 ( 0.840 6.774 0.000) 6.826 29.709 ( -2.796 1.173 0.000) 3.032 29.753 ( -3.162 7.042 0.000) 7.719 29.864 ( -0.729 -5.326 0.000) 5.376 29.966 ( 5.040 1.847 0.000) 5.367 29.983 ( 3.195 3.964 0.000) 5.091 30.145 ( -0.051 -6.580 0.000) 6.580 30.169 ( 1.833 5.195 0.000) 5.509 30.592 ( -1.624 -11.045 0.000) 11.164 31.111 ( -1.216 0.149 0.000) 1.225 31.191 ( -2.796 2.612 0.000) 3.827 31.279 ( -2.894 -6.130 0.000) 6.779 31.447 ( -2.162 -9.134 0.000) 9.387 33.583 ( 2.824 5.433 0.000) 6.123 33.738 ( 0.371 12.770 0.000) 12.776 33.876 ( -1.156 -8.537 0.000) 8.615 34.450 ( -5.234 -22.643 0.000) 23.240 ======================= Grid point 38 (23/60) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 0.992 13.571 0.000) 13.607 2.301 ( 1.236 4.335 0.000) 4.507 2.464 ( -12.115 -6.004 0.000) 13.521 2.521 ( -10.780 12.973 0.000) 16.868 2.559 ( 15.294 -6.549 0.000) 16.638 2.690 ( -6.328 3.968 0.000) 7.469 2.694 ( -0.359 -4.344 0.000) 4.358 3.088 ( 5.234 -3.446 0.000) 6.266 3.201 ( -2.647 2.710 0.000) 3.788 3.273 ( 7.005 0.844 0.000) 7.056 3.581 ( -7.070 1.676 0.000) 7.266 3.710 ( -0.203 11.405 0.000) 11.407 4.059 ( -10.083 2.527 0.000) 10.395 4.234 ( -5.172 8.697 0.000) 10.119 4.430 ( 7.406 1.183 0.000) 7.500 4.566 ( -2.461 -1.980 0.000) 3.159 4.591 ( 7.131 -5.804 0.000) 9.194 4.776 ( 7.243 -5.127 0.000) 8.874 4.830 ( -2.986 1.783 0.000) 3.478 5.013 ( -3.510 -10.424 0.000) 10.999 5.120 ( -3.385 -5.667 0.000) 6.601 5.180 ( -6.076 6.513 0.000) 8.907 5.254 ( 7.323 1.091 0.000) 7.404 5.259 ( 4.004 -5.679 0.000) 6.949 5.429 ( 9.964 1.189 0.000) 10.034 5.610 ( 13.162 -4.236 0.000) 13.827 5.715 ( 7.825 8.237 0.000) 11.361 5.745 ( -6.768 15.751 0.000) 17.143 5.890 ( 1.734 1.989 0.000) 2.639 6.009 ( 2.809 -2.037 0.000) 3.470 6.143 ( -6.258 -3.447 0.000) 7.145 6.201 ( 4.897 -6.738 0.000) 8.329 6.396 ( -16.122 -0.481 0.000) 16.129 6.454 ( -2.012 -3.356 0.000) 3.913 6.537 ( -10.692 1.650 0.000) 10.818 6.612 ( 11.598 -1.977 0.000) 11.765 6.693 ( -4.327 8.730 0.000) 9.743 7.025 ( -1.249 -1.403 0.000) 1.878 7.205 ( 19.115 16.461 0.000) 25.226 7.432 ( -1.258 6.089 0.000) 6.218 7.520 ( 9.352 4.408 0.000) 10.339 7.533 ( -3.905 4.556 0.000) 6.000 7.648 ( -8.829 3.969 0.000) 9.680 7.819 ( -1.562 -0.266 0.000) 1.584 8.180 ( 8.533 10.299 0.000) 13.375 8.447 ( -5.784 2.606 0.000) 6.344 8.502 ( 13.535 20.225 0.000) 24.336 8.534 ( -4.593 9.797 0.000) 10.821 8.991 ( -5.662 -4.046 0.000) 6.959 8.992 ( -0.063 1.289 0.000) 1.291 9.076 ( 3.965 -5.138 0.000) 6.490 9.127 ( 0.912 2.703 0.000) 2.853 10.213 ( -5.708 2.872 0.000) 6.389 10.232 ( 3.959 1.126 0.000) 4.116 10.392 ( -1.090 5.250 0.000) 5.362 10.489 ( 0.649 -0.097 0.000) 0.656 11.102 ( 8.512 11.496 0.000) 14.304 11.123 ( 0.556 13.805 0.000) 13.817 11.340 ( 0.701 15.803 0.000) 15.819 11.481 ( -10.512 12.654 0.000) 16.451 11.576 ( -7.703 9.041 0.000) 11.877 11.633 ( 2.305 12.933 0.000) 13.137 11.843 ( 2.868 4.111 0.000) 5.012 11.978 ( -1.806 -2.172 0.000) 2.825 12.317 ( -7.743 -13.485 0.000) 15.550 12.393 ( -2.958 -19.472 0.000) 19.695 12.516 ( -3.269 -13.996 0.000) 14.372 12.632 ( -3.776 -10.736 0.000) 11.380 12.661 ( 3.085 -20.589 0.000) 20.819 12.721 ( -2.390 -21.171 0.000) 21.305 12.843 ( -5.555 -25.087 0.000) 25.695 12.891 ( 7.577 13.154 0.000) 15.180 12.946 ( -3.242 -27.879 0.000) 28.067 13.131 ( 6.416 10.275 0.000) 12.114 13.496 ( -3.526 -14.480 0.000) 14.903 13.719 ( -6.322 -15.364 0.000) 16.614 17.001 ( -4.016 17.526 0.000) 17.980 17.061 ( -4.900 15.540 0.000) 16.295 17.413 ( -14.564 -2.226 0.000) 14.733 17.457 ( -13.704 -2.548 0.000) 13.939 19.880 ( 16.313 23.317 0.000) 28.457 20.051 ( 13.110 21.073 0.000) 24.818 20.816 ( -3.149 -17.299 0.000) 17.583 20.928 ( -4.051 -17.766 0.000) 18.222 22.666 ( 6.156 7.968 0.000) 10.069 22.758 ( 0.990 4.911 0.000) 5.010 22.911 ( 0.090 -0.066 0.000) 0.112 22.973 ( 0.236 -2.762 0.000) 2.772 29.169 ( 1.423 8.501 0.000) 8.619 29.215 ( 0.244 8.352 0.000) 8.356 29.265 ( 3.871 6.013 0.000) 7.151 29.318 ( 0.499 4.846 0.000) 4.872 29.638 ( -4.267 6.151 0.000) 7.486 29.735 ( 2.043 11.465 0.000) 11.646 29.836 ( -2.327 -2.457 0.000) 3.384 30.061 ( 4.219 2.462 0.000) 4.885 30.064 ( 4.784 -1.354 0.000) 4.972 30.135 ( -0.949 -6.616 0.000) 6.684 30.217 ( 2.870 6.082 0.000) 6.725 30.544 ( -3.273 -9.667 0.000) 10.206 31.078 ( -2.176 -1.606 0.000) 2.705 31.135 ( -2.054 -1.230 0.000) 2.394 31.204 ( -4.568 -6.056 0.000) 7.585 31.383 ( -4.267 -11.111 0.000) 11.902 33.659 ( 4.837 2.786 0.000) 5.582 33.749 ( 0.811 9.359 0.000) 9.395 33.845 ( -1.920 -6.195 0.000) 6.486 34.311 ( -8.692 -18.277 0.000) 20.239 ======================= Grid point 39 (24/60) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 7.915 10.008 0.000) 12.760 2.247 ( -1.245 9.895 0.000) 9.973 2.356 ( -1.303 4.321 0.000) 4.514 2.538 ( 9.448 2.492 0.000) 9.771 2.577 ( -10.660 2.193 0.000) 10.883 2.595 ( -2.760 9.796 0.000) 10.177 2.755 ( 0.691 1.489 0.000) 1.642 3.046 ( -9.150 -12.864 0.000) 15.786 3.190 ( 2.762 3.297 0.000) 4.301 3.325 ( -0.824 -3.264 0.000) 3.366 3.478 ( -3.561 -0.814 0.000) 3.653 3.597 ( -6.763 8.417 0.000) 10.798 3.988 ( 1.887 -11.732 0.000) 11.883 4.360 ( 15.137 13.667 0.000) 20.394 4.439 ( -9.032 -12.501 0.000) 15.422 4.622 ( 8.844 6.765 0.000) 11.135 4.667 ( 3.165 1.256 0.000) 3.405 4.779 ( -1.836 2.607 0.000) 3.188 4.826 ( -1.661 2.045 0.000) 2.635 4.978 ( -4.142 -13.735 0.000) 14.346 5.062 ( 1.040 -0.572 0.000) 1.187 5.084 ( -1.430 9.938 0.000) 10.041 5.315 ( 1.591 -6.662 0.000) 6.849 5.396 ( 5.009 -0.569 0.000) 5.041 5.551 ( 0.570 2.535 0.000) 2.598 5.653 ( -3.062 -1.093 0.000) 3.251 5.762 ( -0.785 2.196 0.000) 2.332 5.792 ( 0.825 -1.279 0.000) 1.522 6.017 ( -7.285 4.032 0.000) 8.326 6.041 ( 6.656 -2.604 0.000) 7.148 6.073 ( 3.840 0.298 0.000) 3.852 6.130 ( 1.690 5.443 0.000) 5.700 6.317 ( -7.047 4.207 0.000) 8.207 6.355 ( 1.798 -5.354 0.000) 5.648 6.500 ( 1.011 -6.898 0.000) 6.972 6.532 ( 5.420 -4.413 0.000) 6.989 6.942 ( -4.732 3.106 0.000) 5.660 6.976 ( 15.606 4.112 0.000) 16.139 7.297 ( -14.109 8.261 0.000) 16.349 7.420 ( 0.189 7.083 0.000) 7.086 7.453 ( -5.495 11.074 0.000) 12.362 7.496 ( -10.682 0.923 0.000) 10.722 7.694 ( 18.829 10.707 0.000) 21.661 7.920 ( 8.800 3.466 0.000) 9.458 8.268 ( 0.145 8.624 0.000) 8.626 8.323 ( -6.391 3.002 0.000) 7.060 8.508 ( 1.599 9.182 0.000) 9.321 8.723 ( 2.620 14.214 0.000) 14.453 8.868 ( 0.075 0.587 0.000) 0.592 9.013 ( 2.760 0.969 0.000) 2.925 9.120 ( -0.491 0.899 0.000) 1.024 9.142 ( -0.632 2.162 0.000) 2.252 10.163 ( 1.119 9.537 0.000) 9.603 10.273 ( -0.049 4.735 0.000) 4.735 10.393 ( 0.969 5.279 0.000) 5.368 10.480 ( -1.942 2.509 0.000) 3.173 11.125 ( 1.003 14.532 0.000) 14.567 11.232 ( 4.207 11.093 0.000) 11.864 11.296 ( -8.072 14.842 0.000) 16.895 11.434 ( -6.708 10.952 0.000) 12.843 11.441 ( 9.474 6.579 0.000) 11.534 11.692 ( 3.952 7.416 0.000) 8.403 11.821 ( -6.363 1.044 0.000) 6.448 11.916 ( -4.717 -2.204 0.000) 5.207 12.215 ( -0.141 -12.013 0.000) 12.014 12.347 ( -0.677 -12.083 0.000) 12.102 12.431 ( -5.301 -12.560 0.000) 13.633 12.519 ( -7.731 -9.818 0.000) 12.496 12.685 ( 1.263 -25.850 0.000) 25.881 12.721 ( 1.224 -22.653 0.000) 22.686 12.753 ( -3.121 -25.793 0.000) 25.981 12.864 ( -4.900 -28.797 0.000) 29.211 13.079 ( 10.524 3.942 0.000) 11.238 13.274 ( 7.856 4.390 0.000) 9.000 13.410 ( -5.587 -10.093 0.000) 11.536 13.580 ( -7.740 -9.559 0.000) 12.300 16.962 ( 0.225 14.558 0.000) 14.560 17.006 ( -0.332 13.090 0.000) 13.095 17.163 ( -10.571 5.174 0.000) 11.770 17.217 ( -10.571 4.037 0.000) 11.315 20.197 ( 15.982 12.615 0.000) 20.361 20.306 ( 12.949 11.423 0.000) 17.267 20.703 ( -8.518 -8.341 0.000) 11.922 20.782 ( -10.518 -8.644 0.000) 13.614 22.782 ( 4.779 3.477 0.000) 5.910 22.816 ( 5.071 1.976 0.000) 5.442 22.900 ( -1.370 -0.502 0.000) 1.459 22.966 ( -1.306 -2.299 0.000) 2.644 29.193 ( 1.182 8.538 0.000) 8.620 29.247 ( 2.924 7.742 0.000) 8.275 29.266 ( -2.094 6.288 0.000) 6.628 29.357 ( 0.698 2.519 0.000) 2.614 29.589 ( 0.714 10.408 0.000) 10.432 29.768 ( -4.594 1.661 0.000) 4.885 29.822 ( 6.317 10.708 0.000) 12.432 30.065 ( -4.029 0.751 0.000) 4.099 30.144 ( 3.280 -1.754 0.000) 3.720 30.159 ( 2.924 0.948 0.000) 3.074 30.280 ( 3.844 0.581 0.000) 3.888 30.467 ( -4.643 -7.400 0.000) 8.736 31.038 ( -1.202 -3.336 0.000) 3.546 31.113 ( -4.370 -5.929 0.000) 7.365 31.131 ( 1.623 -7.080 0.000) 7.264 31.288 ( -5.278 -12.064 0.000) 13.168 33.740 ( 2.108 3.940 0.000) 4.469 33.799 ( 5.818 -0.124 0.000) 5.820 33.805 ( -2.009 -2.782 0.000) 3.432 34.129 ( -9.700 -12.650 0.000) 15.941 ======================= Grid point 40 (25/60) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -2.461 8.960 0.000) 9.292 2.276 ( 2.461 8.960 0.000) 9.292 2.377 ( -5.988 8.190 0.000) 10.146 2.377 ( 5.988 8.190 0.000) 10.146 2.619 ( -8.343 16.704 0.000) 18.672 2.619 ( 8.342 16.704 0.000) 18.672 2.798 ( -14.455 -9.153 0.000) 17.109 2.798 ( 14.455 -9.153 0.000) 17.109 3.298 ( -4.809 -4.890 0.000) 6.858 3.298 ( 4.808 -4.890 0.000) 6.858 3.460 ( -3.810 -0.430 0.000) 3.834 3.460 ( 3.810 -0.430 0.000) 3.835 4.169 ( -15.003 -15.284 0.000) 21.417 4.169 ( 15.003 -15.284 0.000) 21.417 4.661 ( -9.840 3.493 0.000) 10.441 4.661 ( 9.840 3.493 0.000) 10.441 4.749 ( -4.498 8.458 0.000) 9.580 4.749 ( 4.497 8.458 0.000) 9.580 4.820 ( -5.568 5.971 0.000) 8.165 4.820 ( 5.568 5.971 0.000) 8.165 5.130 ( -0.476 -1.788 0.000) 1.851 5.130 ( 0.476 -1.788 0.000) 1.851 5.393 ( -11.502 -5.419 0.000) 12.714 5.393 ( 11.502 -5.419 0.000) 12.714 5.481 ( -4.034 -2.739 0.000) 4.876 5.481 ( 4.034 -2.739 0.000) 4.876 5.811 ( -1.639 0.343 0.000) 1.674 5.811 ( 1.639 0.343 0.000) 1.674 6.005 ( -2.403 2.699 0.000) 3.614 6.005 ( 2.403 2.699 0.000) 3.614 6.155 ( -1.080 0.252 0.000) 1.109 6.155 ( 1.080 0.252 0.000) 1.109 6.302 ( -2.433 0.979 0.000) 2.623 6.302 ( 2.433 0.979 0.000) 2.623 6.615 ( -0.360 -7.369 0.000) 7.377 6.615 ( 0.360 -7.369 0.000) 7.377 6.983 ( -10.542 10.283 0.000) 14.727 6.983 ( 10.542 10.283 0.000) 14.727 7.251 ( -11.273 -0.371 0.000) 11.279 7.251 ( 11.273 -0.371 0.000) 11.279 7.415 ( -1.436 11.509 0.000) 11.599 7.415 ( 1.436 11.509 0.000) 11.599 7.972 ( -6.022 4.896 0.000) 7.761 7.972 ( 6.022 4.896 0.000) 7.761 8.248 ( -0.315 8.091 0.000) 8.098 8.248 ( 0.315 8.091 0.000) 8.098 8.588 ( -7.237 6.879 0.000) 9.985 8.588 ( 7.237 6.879 0.000) 9.985 9.032 ( -8.056 6.217 0.000) 10.176 9.032 ( 8.056 6.217 0.000) 10.176 9.090 ( -3.835 0.488 0.000) 3.866 9.090 ( 3.835 0.488 0.000) 3.866 10.229 ( -4.048 9.484 0.000) 10.312 10.229 ( 4.048 9.484 0.000) 10.312 10.428 ( -2.619 5.136 0.000) 5.765 10.428 ( 2.619 5.136 0.000) 5.765 11.176 ( -4.316 14.721 0.000) 15.341 11.176 ( 4.316 14.721 0.000) 15.341 11.318 ( -5.197 11.710 0.000) 12.812 11.318 ( 5.197 11.710 0.000) 12.812 11.646 ( -10.517 0.862 0.000) 10.553 11.646 ( 10.517 0.862 0.000) 10.553 11.793 ( -6.469 1.688 0.000) 6.686 11.793 ( 6.469 1.688 0.000) 6.686 12.306 ( -7.313 -12.148 0.000) 14.179 12.306 ( 7.313 -12.148 0.000) 14.179 12.384 ( -4.609 -10.089 0.000) 11.092 12.384 ( 4.609 -10.089 0.000) 11.092 12.713 ( -1.416 -25.194 0.000) 25.233 12.713 ( 1.416 -25.194 0.000) 25.233 12.772 ( -4.128 -26.933 0.000) 27.247 12.772 ( 4.128 -26.933 0.000) 27.247 13.271 ( -8.740 -4.253 0.000) 9.720 13.271 ( 8.740 -4.253 0.000) 9.720 13.427 ( -7.907 -2.434 0.000) 8.273 13.427 ( 7.907 -2.434 0.000) 8.273 17.012 ( -5.022 10.683 0.000) 11.804 17.012 ( 5.022 10.683 0.000) 11.804 17.058 ( -5.602 9.118 0.000) 10.701 17.058 ( 5.602 9.117 0.000) 10.701 20.488 ( -13.471 1.674 0.000) 13.574 20.488 ( 13.471 1.674 0.000) 13.574 20.552 ( -12.400 1.748 0.000) 12.522 20.552 ( 12.400 1.748 0.000) 12.522 22.856 ( -3.098 0.529 0.000) 3.143 22.856 ( 3.098 0.529 0.000) 3.143 22.914 ( -4.079 -0.704 0.000) 4.139 22.914 ( 4.079 -0.704 0.000) 4.139 29.223 ( -1.969 7.721 0.000) 7.968 29.223 ( 1.969 7.721 0.000) 7.968 29.316 ( -3.718 5.638 0.000) 6.753 29.316 ( 3.718 5.638 0.000) 6.753 29.665 ( -5.628 6.457 0.000) 8.565 29.665 ( 5.628 6.457 0.000) 8.565 29.955 ( -6.795 6.759 0.000) 9.584 29.955 ( 6.795 6.759 0.000) 9.584 30.184 ( -0.560 -0.030 0.000) 0.561 30.184 ( 0.560 -0.030 0.000) 0.561 30.370 ( -5.113 -4.425 0.000) 6.762 30.370 ( 5.113 -4.425 0.000) 6.762 31.047 ( -2.131 -5.241 0.000) 5.657 31.047 ( 2.131 -5.241 0.000) 5.657 31.191 ( -4.335 -10.837 0.000) 11.672 31.191 ( 4.335 -10.837 0.000) 11.672 33.770 ( -1.560 1.191 0.000) 1.963 33.770 ( 1.560 1.191 0.000) 1.963 33.947 ( -8.745 -6.848 0.000) 11.107 33.947 ( 8.745 -6.848 0.000) 11.107 ======================= Grid point 45 (26/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.000 -6.949 0.000) 6.949 2.149 ( 0.000 6.949 0.000) 6.949 2.753 ( 0.000 -16.873 0.000) 16.873 2.753 ( 0.000 16.873 0.000) 16.873 2.835 ( 0.000 -11.436 0.000) 11.436 2.835 ( 0.000 11.436 0.000) 11.436 3.008 ( 0.000 -0.154 0.000) 0.154 3.008 ( 0.000 0.154 0.000) 0.154 3.098 ( 0.000 -9.929 0.000) 9.929 3.098 ( 0.000 9.929 0.000) 9.929 3.612 ( 0.000 -10.935 0.000) 10.935 3.612 ( 0.000 10.935 0.000) 10.935 4.112 ( 0.000 -6.938 0.000) 6.938 4.112 ( 0.000 6.938 0.000) 6.938 4.427 ( 0.000 -6.338 0.000) 6.338 4.427 ( 0.000 6.338 0.000) 6.338 4.559 ( 0.000 -16.647 0.000) 16.647 4.559 ( 0.000 16.647 0.000) 16.647 5.011 ( 0.000 -9.732 0.000) 9.732 5.011 ( 0.000 9.732 0.000) 9.732 5.140 ( 0.000 -2.832 0.000) 2.832 5.140 ( 0.000 2.832 0.000) 2.832 5.166 ( 0.000 -5.561 0.000) 5.561 5.166 ( 0.000 5.561 0.000) 5.561 5.417 ( 0.000 -5.435 0.000) 5.435 5.417 ( 0.000 5.435 0.000) 5.435 5.638 ( 0.000 -9.453 0.000) 9.453 5.638 ( 0.000 9.453 0.000) 9.453 6.080 ( 0.000 -11.302 0.000) 11.302 6.080 ( 0.000 11.302 0.000) 11.302 6.189 ( 0.000 -9.030 0.000) 9.030 6.189 ( 0.000 9.030 0.000) 9.030 6.512 ( 0.000 -22.726 0.000) 22.726 6.512 ( 0.000 22.726 0.000) 22.726 6.659 ( 0.000 -7.688 0.000) 7.688 6.659 ( 0.000 7.688 0.000) 7.688 6.934 ( 0.000 -3.911 0.000) 3.911 6.934 ( 0.000 3.911 0.000) 3.911 7.128 ( 0.000 -10.938 0.000) 10.938 7.128 ( 0.000 10.938 0.000) 10.938 7.565 ( 0.000 -3.531 0.000) 3.531 7.565 ( 0.000 3.531 0.000) 3.531 7.849 ( 0.000 -1.381 0.000) 1.381 7.849 ( 0.000 1.381 0.000) 1.381 8.293 ( 0.000 -21.212 0.000) 21.212 8.293 ( 0.000 21.212 0.000) 21.212 8.657 ( 0.000 -23.164 0.000) 23.164 8.657 ( 0.000 23.164 0.000) 23.164 8.927 ( 0.000 -13.027 0.000) 13.027 8.927 ( 0.000 13.027 0.000) 13.027 9.050 ( 0.000 -4.733 0.000) 4.733 9.050 ( 0.000 4.733 0.000) 4.733 10.211 ( 0.000 -8.736 0.000) 8.736 10.211 ( 0.000 8.736 0.000) 8.736 10.477 ( 0.000 -0.171 0.000) 0.171 10.477 ( 0.000 0.171 0.000) 0.171 11.407 ( 0.000 -29.670 0.000) 29.670 11.407 ( 0.000 29.670 0.000) 29.670 11.563 ( 0.000 -25.385 0.000) 25.385 11.563 ( 0.000 25.385 0.000) 25.385 11.758 ( 0.000 -13.317 0.000) 13.317 11.758 ( 0.000 13.317 0.000) 13.317 11.890 ( 0.000 -7.622 0.000) 7.622 11.890 ( 0.000 7.622 0.000) 7.622 12.282 ( 0.000 -9.302 0.000) 9.302 12.282 ( 0.000 9.302 0.000) 9.302 12.423 ( 0.000 -12.385 0.000) 12.385 12.423 ( 0.000 12.385 0.000) 12.385 12.569 ( 0.000 -12.168 0.000) 12.168 12.569 ( 0.000 12.168 0.000) 12.168 12.661 ( 0.000 -5.108 0.000) 5.108 12.661 ( 0.000 5.108 0.000) 5.108 13.169 ( 0.000 -20.461 0.000) 20.461 13.169 ( 0.000 20.461 0.000) 20.461 13.429 ( 0.000 -21.618 0.000) 21.618 13.429 ( 0.000 21.618 0.000) 21.618 17.508 ( 0.000 -16.101 0.000) 16.101 17.508 ( 0.000 16.101 0.000) 16.101 17.537 ( 0.000 -14.344 0.000) 14.344 17.537 ( 0.000 14.344 0.000) 14.344 20.210 ( 0.000 -33.984 0.000) 33.984 20.210 ( 0.000 33.984 0.000) 33.984 20.375 ( 0.000 -30.022 0.000) 30.022 20.375 ( 0.000 30.022 0.000) 30.022 22.804 ( 0.000 -10.720 0.000) 10.720 22.804 ( 0.000 10.720 0.000) 10.720 22.886 ( 0.000 -3.957 0.000) 3.957 22.886 ( 0.000 3.957 0.000) 3.957 29.236 ( 0.000 -0.710 0.000) 0.710 29.236 ( 0.000 0.710 0.000) 0.710 29.345 ( 0.000 -2.694 0.000) 2.694 29.345 ( 0.000 2.694 0.000) 2.694 29.759 ( 0.000 -3.748 0.000) 3.748 29.759 ( 0.000 3.748 0.000) 3.748 29.923 ( 0.000 -9.705 0.000) 9.705 29.923 ( 0.000 9.705 0.000) 9.705 29.984 ( 0.000 -1.268 0.000) 1.268 29.984 ( 0.000 1.268 0.000) 1.268 30.372 ( 0.000 -11.602 0.000) 11.602 30.372 ( 0.000 11.602 0.000) 11.602 31.189 ( 0.000 -5.009 0.000) 5.009 31.189 ( 0.000 5.009 0.000) 5.009 31.320 ( 0.000 -6.187 0.000) 6.187 31.320 ( 0.000 6.187 0.000) 6.187 33.706 ( 0.000 -8.262 0.000) 8.262 33.706 ( 0.000 8.262 0.000) 8.262 34.066 ( 0.000 -18.697 0.000) 18.697 34.066 ( 0.000 18.697 0.000) 18.697 ======================= Grid point 47 (27/60) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 6.232 -2.152 0.000) 6.593 2.214 ( 6.232 2.152 0.000) 6.593 2.521 ( -14.005 -8.896 0.000) 16.592 2.521 ( -14.005 8.895 0.000) 16.591 2.802 ( -8.513 -3.741 0.000) 9.298 2.802 ( -8.513 3.741 0.000) 9.298 2.971 ( -4.136 -1.003 0.000) 4.256 2.971 ( -4.136 1.003 0.000) 4.256 3.154 ( 8.080 -0.206 0.000) 8.083 3.154 ( 8.080 0.206 0.000) 8.083 3.714 ( 4.396 -0.590 0.000) 4.436 3.714 ( 4.396 0.590 0.000) 4.436 4.142 ( 3.476 -0.089 0.000) 3.477 4.142 ( 3.476 0.089 0.000) 3.477 4.485 ( 5.293 -2.086 0.000) 5.689 4.485 ( 5.293 2.086 0.000) 5.689 4.606 ( 1.125 -1.027 0.000) 1.523 4.606 ( 1.125 1.027 0.000) 1.523 4.983 ( -3.680 -5.905 0.000) 6.958 4.983 ( -3.680 5.905 0.000) 6.958 5.055 ( -2.046 -0.234 0.000) 2.059 5.055 ( -2.046 0.234 0.000) 2.059 5.235 ( 4.103 -0.887 0.000) 4.198 5.235 ( 4.103 0.887 0.000) 4.198 5.320 ( -2.408 -0.229 0.000) 2.419 5.320 ( -2.408 0.229 0.000) 2.419 5.797 ( 10.204 -10.396 0.000) 14.567 5.797 ( 10.204 10.396 0.000) 14.567 6.023 ( -4.394 -6.513 0.000) 7.856 6.023 ( -4.394 6.513 0.000) 7.856 6.120 ( -5.696 -9.317 0.000) 10.920 6.120 ( -5.696 9.317 0.000) 10.920 6.514 ( 2.687 -12.022 0.000) 12.318 6.514 ( 2.687 12.022 0.000) 12.318 6.702 ( -11.556 -0.714 0.000) 11.578 6.702 ( -11.556 0.714 0.000) 11.578 6.878 ( 3.901 -5.225 0.000) 6.521 6.878 ( 3.902 5.225 0.000) 6.521 7.204 ( 9.792 -11.213 0.000) 14.886 7.204 ( 9.792 11.213 0.000) 14.887 7.546 ( -1.207 -2.687 0.000) 2.946 7.546 ( -1.207 2.687 0.000) 2.946 7.840 ( -2.324 -0.436 0.000) 2.365 7.840 ( -2.324 0.436 0.000) 2.365 8.332 ( 3.080 -17.916 0.000) 18.178 8.332 ( 3.080 17.916 0.000) 18.178 8.695 ( 3.901 -16.002 0.000) 16.470 8.695 ( 3.901 16.002 0.000) 16.470 8.911 ( -1.944 -9.177 0.000) 9.380 8.911 ( -1.944 9.177 0.000) 9.380 9.068 ( 2.060 -3.339 0.000) 3.923 9.068 ( 2.060 3.339 0.000) 3.923 10.213 ( 0.514 -5.893 0.000) 5.915 10.213 ( 0.514 5.893 0.000) 5.915 10.470 ( -0.492 -0.380 0.000) 0.622 10.470 ( -0.492 0.380 0.000) 0.622 11.425 ( 1.669 -27.816 0.000) 27.866 11.425 ( 1.669 27.816 0.000) 27.866 11.522 ( -3.571 -21.529 0.000) 21.823 11.522 ( -3.571 21.529 0.000) 21.823 11.731 ( -2.590 -13.620 0.000) 13.864 11.731 ( -2.590 13.620 0.000) 13.864 11.897 ( 0.415 -7.926 0.000) 7.937 11.897 ( 0.415 7.926 0.000) 7.937 12.277 ( -0.668 -9.342 0.000) 9.366 12.277 ( -0.668 9.342 0.000) 9.366 12.433 ( 0.446 -10.545 0.000) 10.555 12.433 ( 0.446 10.545 0.000) 10.555 12.543 ( -2.459 -11.865 0.000) 12.117 12.543 ( -2.459 11.865 0.000) 12.117 12.617 ( -4.334 -4.942 0.000) 6.573 12.617 ( -4.334 4.942 0.000) 6.573 13.174 ( 0.618 -19.040 0.000) 19.050 13.174 ( 0.618 19.040 0.000) 19.050 13.420 ( -0.748 -20.012 0.000) 20.026 13.420 ( -0.748 20.012 0.000) 20.026 17.435 ( -6.815 -14.332 0.000) 15.870 17.435 ( -6.815 14.332 0.000) 15.870 17.467 ( -6.447 -13.234 0.000) 14.721 17.467 ( -6.447 13.234 0.000) 14.721 20.267 ( 5.236 -31.430 0.000) 31.863 20.267 ( 5.236 31.430 0.000) 31.863 20.424 ( 4.356 -28.318 0.000) 28.651 20.424 ( 4.356 28.318 0.000) 28.651 22.814 ( 1.011 -10.094 0.000) 10.144 22.814 ( 1.011 10.094 0.000) 10.144 22.876 ( -0.829 -4.277 0.000) 4.356 22.876 ( -0.829 4.277 0.000) 4.356 29.253 ( 1.680 -1.013 0.000) 1.962 29.253 ( 1.680 1.013 0.000) 1.962 29.342 ( -0.327 -2.551 0.000) 2.572 29.342 ( -0.327 2.551 0.000) 2.572 29.758 ( -0.062 -3.908 0.000) 3.909 29.758 ( -0.062 3.908 0.000) 3.909 29.929 ( 0.670 -9.706 0.000) 9.729 29.929 ( 0.670 9.706 0.000) 9.729 30.008 ( 2.395 -0.862 0.000) 2.545 30.008 ( 2.395 0.862 0.000) 2.545 30.371 ( -0.149 -10.616 0.000) 10.617 30.371 ( -0.149 10.616 0.000) 10.617 31.164 ( -2.503 -4.663 0.000) 5.292 31.164 ( -2.503 4.663 0.000) 5.292 31.286 ( -3.352 -6.473 0.000) 7.289 31.286 ( -3.352 6.473 0.000) 7.289 33.713 ( 0.717 -7.272 0.000) 7.307 33.713 ( 0.717 7.272 0.000) 7.307 34.044 ( -2.208 -17.344 0.000) 17.484 34.044 ( -2.208 17.344 0.000) 17.484 ======================= Grid point 49 (28/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -3.104 -4.673 0.000) 5.610 2.279 ( -3.104 4.673 0.000) 5.610 2.410 ( 6.455 -4.661 0.000) 7.962 2.410 ( 6.455 4.662 0.000) 7.962 2.654 ( -4.430 -0.059 0.000) 4.430 2.654 ( -4.430 0.058 0.000) 4.430 2.892 ( -4.748 -10.709 0.000) 11.714 2.892 ( -4.748 10.709 0.000) 11.714 3.260 ( 2.156 -0.225 0.000) 2.168 3.260 ( 2.156 0.225 0.000) 2.168 3.704 ( -4.765 -3.415 0.000) 5.863 3.704 ( -4.765 3.415 0.000) 5.863 4.209 ( -0.502 -8.634 0.000) 8.648 4.209 ( -0.502 8.634 0.000) 8.648 4.537 ( -0.728 -15.478 0.000) 15.495 4.537 ( -0.728 15.478 0.000) 15.495 4.617 ( 6.294 -0.885 0.000) 6.356 4.617 ( 6.294 0.885 0.000) 6.356 4.854 ( -6.244 -0.991 0.000) 6.322 4.854 ( -6.244 0.991 0.000) 6.322 5.136 ( 4.202 -2.563 0.000) 4.922 5.136 ( 4.202 2.563 0.000) 4.922 5.252 ( 0.644 -0.667 0.000) 0.928 5.252 ( 0.644 0.667 0.000) 0.928 5.493 ( 15.916 -1.536 0.000) 15.990 5.493 ( 15.916 1.536 0.000) 15.990 5.902 ( -7.596 -0.086 0.000) 7.597 5.902 ( -7.597 0.086 0.000) 7.597 5.962 ( 5.370 -13.163 0.000) 14.216 5.962 ( 5.370 13.163 0.000) 14.216 6.039 ( -2.323 -4.564 0.000) 5.121 6.039 ( -2.323 4.564 0.000) 5.121 6.421 ( -9.495 -0.137 0.000) 9.496 6.421 ( -9.495 0.137 0.000) 9.496 6.556 ( -2.757 -0.141 0.000) 2.761 6.556 ( -2.757 0.141 0.000) 2.761 6.907 ( 1.083 -8.800 0.000) 8.866 6.907 ( 1.083 8.800 0.000) 8.866 7.467 ( 9.101 -5.852 0.000) 10.821 7.467 ( 9.101 5.852 0.000) 10.821 7.564 ( 5.691 -0.074 0.000) 5.691 7.564 ( 5.691 0.074 0.000) 5.691 7.746 ( -5.073 -3.201 0.000) 5.998 7.746 ( -5.073 3.201 0.000) 5.998 8.369 ( 0.356 -7.432 0.000) 7.440 8.369 ( 0.356 7.432 0.000) 7.440 8.769 ( -0.017 -5.455 0.000) 5.455 8.769 ( -0.017 5.455 0.000) 5.455 8.884 ( 2.712 -2.726 0.000) 3.845 8.884 ( 2.712 2.726 0.000) 3.845 9.119 ( 2.428 -2.292 0.000) 3.339 9.119 ( 2.428 2.292 0.000) 3.339 10.243 ( 2.731 -0.127 0.000) 2.734 10.243 ( 2.731 0.127 0.000) 2.734 10.466 ( 0.228 -1.779 0.000) 1.794 10.466 ( 0.228 1.779 0.000) 1.794 11.449 ( -2.944 -16.437 0.000) 16.698 11.449 ( -2.944 16.437 0.000) 16.698 11.458 ( 0.595 -18.738 0.000) 18.748 11.458 ( 0.594 18.738 0.000) 18.747 11.678 ( -2.110 -15.318 0.000) 15.463 11.678 ( -2.110 15.318 0.000) 15.463 11.892 ( -1.290 -7.321 0.000) 7.433 11.892 ( -1.290 7.321 0.000) 7.433 12.250 ( -2.138 -10.126 0.000) 10.349 12.250 ( -2.138 10.126 0.000) 10.349 12.407 ( -3.671 -14.316 0.000) 14.780 12.407 ( -3.671 14.316 0.000) 14.780 12.489 ( -3.879 -1.666 0.000) 4.222 12.489 ( -3.879 1.666 0.000) 4.222 12.516 ( -3.944 -6.745 0.000) 7.813 12.516 ( -3.944 6.745 0.000) 7.814 13.194 ( 1.371 -15.080 0.000) 15.142 13.194 ( 1.371 15.080 0.000) 15.142 13.407 ( -0.445 -15.021 0.000) 15.027 13.407 ( -0.445 15.021 0.000) 15.027 17.284 ( -7.671 -10.199 0.000) 12.762 17.284 ( -7.671 10.199 0.000) 12.762 17.322 ( -7.630 -10.050 0.000) 12.618 17.322 ( -7.630 10.050 0.000) 12.618 20.383 ( 5.905 -24.307 0.000) 25.014 20.383 ( 5.905 24.307 0.000) 25.014 20.511 ( 3.908 -22.582 0.000) 22.917 20.511 ( 3.908 22.582 0.000) 22.917 22.841 ( 1.563 -7.589 0.000) 7.748 22.841 ( 1.563 7.589 0.000) 7.748 22.863 ( -0.178 -4.915 0.000) 4.919 22.863 ( -0.178 4.915 0.000) 4.919 29.293 ( 2.094 -2.304 0.000) 3.113 29.293 ( 2.094 2.304 0.000) 3.113 29.335 ( -0.150 -2.305 0.000) 2.310 29.335 ( -0.150 2.305 0.000) 2.310 29.754 ( -0.391 -4.318 0.000) 4.336 29.754 ( -0.391 4.318 0.000) 4.336 29.954 ( 1.983 -9.268 0.000) 9.477 29.954 ( 1.983 9.268 0.000) 9.477 30.070 ( 3.732 -1.077 0.000) 3.885 30.070 ( 3.732 1.077 0.000) 3.885 30.363 ( -0.814 -8.100 0.000) 8.141 30.363 ( -0.814 8.100 0.000) 8.141 31.100 ( -3.752 -3.581 0.000) 5.187 31.100 ( -3.752 3.581 0.000) 5.187 31.201 ( -4.978 -6.646 0.000) 8.303 31.201 ( -4.978 6.646 0.000) 8.303 33.733 ( 1.395 -4.581 0.000) 4.789 33.733 ( 1.395 4.581 0.000) 4.789 33.985 ( -3.697 -13.758 0.000) 14.246 33.985 ( -3.697 13.758 0.000) 14.246 ======================= Grid point 51 (29/60) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 5.317 -3.061 0.000) 6.135 2.301 ( 5.317 3.061 0.000) 6.135 2.488 ( 0.283 -8.581 0.000) 8.586 2.488 ( 0.283 8.581 0.000) 8.586 2.678 ( 3.777 -3.208 0.000) 4.956 2.678 ( 3.777 3.208 0.000) 4.956 2.798 ( -2.688 -5.853 0.000) 6.440 2.798 ( -2.688 5.853 0.000) 6.441 3.260 ( -1.364 -0.708 0.000) 1.537 3.260 ( -1.364 0.709 0.000) 1.537 3.575 ( -6.892 -7.896 0.000) 10.481 3.575 ( -6.892 7.897 0.000) 10.481 4.065 ( -10.339 -15.230 0.000) 18.408 4.065 ( -10.339 15.231 0.000) 18.408 4.630 ( 5.436 -12.279 0.000) 13.428 4.630 ( 5.436 12.279 0.000) 13.428 4.765 ( 8.024 -2.872 0.000) 8.522 4.765 ( 8.024 2.872 0.000) 8.522 4.799 ( 2.055 -0.000 0.000) 2.055 4.799 ( 2.055 -0.000 0.000) 2.055 5.162 ( 0.116 -4.750 0.000) 4.751 5.162 ( 0.116 4.750 0.000) 4.752 5.299 ( 2.533 -7.219 0.000) 7.650 5.299 ( 2.533 7.219 0.000) 7.650 5.593 ( -11.210 -0.477 0.000) 11.220 5.593 ( -11.210 0.477 0.000) 11.220 5.793 ( 2.256 -0.041 0.000) 2.257 5.793 ( 2.256 0.041 0.000) 2.257 5.985 ( -1.045 -0.027 0.000) 1.045 5.985 ( -1.045 0.027 0.000) 1.045 6.145 ( 9.289 -5.086 0.000) 10.590 6.145 ( 9.289 5.086 0.000) 10.590 6.386 ( 0.177 -0.273 0.000) 0.325 6.386 ( 0.177 0.273 0.000) 0.325 6.417 ( -3.453 -3.067 0.000) 4.618 6.417 ( -3.453 3.067 0.000) 4.618 7.000 ( 7.095 -0.817 0.000) 7.142 7.000 ( 7.095 0.817 0.000) 7.142 7.429 ( -11.554 -1.639 0.000) 11.670 7.429 ( -11.554 1.639 0.000) 11.670 7.548 ( -1.574 -0.440 0.000) 1.635 7.548 ( -1.574 0.440 0.000) 1.635 7.892 ( 11.886 -2.979 0.000) 12.254 7.892 ( 11.886 2.979 0.000) 12.254 8.356 ( -1.177 -0.063 0.000) 1.179 8.356 ( -1.177 0.063 0.000) 1.179 8.698 ( -4.263 -8.016 0.000) 9.079 8.698 ( -4.263 8.016 0.000) 9.079 9.003 ( 6.386 -2.542 0.000) 6.873 9.003 ( 6.386 2.542 0.000) 6.873 9.144 ( 0.102 -0.506 0.000) 0.516 9.144 ( 0.102 0.506 0.000) 0.516 10.307 ( 3.251 -2.580 0.000) 4.151 10.307 ( 3.251 2.580 0.000) 4.151 10.476 ( 0.540 -2.098 0.000) 2.167 10.476 ( 0.540 2.098 0.000) 2.167 11.404 ( -1.172 -9.380 0.000) 9.453 11.404 ( -1.172 9.380 0.000) 9.453 11.453 ( -0.997 -7.707 0.000) 7.771 11.453 ( -0.997 7.707 0.000) 7.771 11.668 ( 0.676 -13.676 0.000) 13.692 11.668 ( 0.676 13.676 0.000) 13.692 11.847 ( -2.847 -3.938 0.000) 4.860 11.847 ( -2.847 3.938 0.000) 4.860 12.204 ( -1.908 -10.135 0.000) 10.313 12.204 ( -1.908 10.135 0.000) 10.313 12.312 ( -5.350 -8.594 0.000) 10.124 12.312 ( -5.350 8.595 0.000) 10.124 12.394 ( -3.746 -2.534 0.000) 4.522 12.394 ( -3.746 2.534 0.000) 4.522 12.486 ( -0.805 -1.134 0.000) 1.391 12.486 ( -0.805 1.134 0.000) 1.391 13.222 ( 1.261 -8.469 0.000) 8.562 13.222 ( 1.261 8.469 0.000) 8.562 13.404 ( 0.063 -7.724 0.000) 7.724 13.404 ( 0.063 7.724 0.000) 7.724 17.165 ( -4.133 -4.996 0.000) 6.484 17.165 ( -4.133 4.996 0.000) 6.484 17.197 ( -4.797 -5.568 0.000) 7.349 17.197 ( -4.797 5.568 0.000) 7.349 20.476 ( 3.392 -13.409 0.000) 13.832 20.476 ( 3.392 13.409 0.000) 13.832 20.563 ( 1.455 -12.513 0.000) 12.597 20.563 ( 1.455 12.513 0.000) 12.597 22.854 ( 0.196 -3.017 0.000) 3.024 22.854 ( 0.196 3.017 0.000) 3.024 22.884 ( 1.521 -4.411 0.000) 4.666 22.884 ( 1.521 4.411 0.000) 4.666 29.311 ( -0.075 -1.760 0.000) 1.762 29.311 ( -0.075 1.760 0.000) 1.762 29.352 ( 1.556 -2.134 0.000) 2.640 29.352 ( 1.556 2.134 0.000) 2.640 29.743 ( -0.607 -3.582 0.000) 3.633 29.743 ( -0.607 3.582 0.000) 3.633 29.999 ( 2.219 -6.001 0.000) 6.398 29.999 ( 2.219 6.001 0.000) 6.398 30.145 ( 3.728 -1.523 0.000) 4.027 30.145 ( 3.728 1.523 0.000) 4.027 30.337 ( -1.796 -4.857 0.000) 5.178 30.337 ( -1.796 4.857 0.000) 5.178 31.032 ( -2.888 -1.895 0.000) 3.454 31.032 ( -2.888 1.895 0.000) 3.454 31.111 ( -3.711 -4.831 0.000) 6.092 31.111 ( -3.711 4.831 0.000) 6.092 33.768 ( 2.118 -0.834 0.000) 2.277 33.768 ( 2.118 0.834 0.000) 2.277 33.909 ( -3.872 -8.820 0.000) 9.632 33.909 ( -3.872 8.820 0.000) 9.632 ======================= Grid point 53 (30/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.827 ( -0.000 -0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.001 0.000) 0.001 3.941 ( 0.000 -0.000 0.000) 0.000 3.941 ( 0.000 -0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 -0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 4.875 ( -0.000 0.000 0.000) 0.000 4.875 ( -0.000 0.000 0.000) 0.000 5.186 ( 0.000 -0.000 0.000) 0.000 5.186 ( 0.000 -0.000 0.000) 0.000 5.279 ( 0.000 0.000 0.000) 0.000 5.279 ( -0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.163 ( 0.000 0.000 0.000) 0.000 6.163 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.498 ( -0.000 -0.000 0.000) 0.000 6.498 ( 0.000 -0.000 0.000) 0.000 7.139 ( -0.000 0.000 0.000) 0.000 7.139 ( -0.000 0.000 0.000) 0.000 7.206 ( 0.000 -0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 -0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 9.076 ( 0.000 0.000 0.000) 0.000 9.076 ( 0.000 0.000 0.000) 0.000 9.136 ( 0.000 0.000 0.000) 0.000 9.136 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 -0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.440 ( 0.000 0.000 0.000) 0.000 11.440 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 11.812 ( 0.000 0.000 0.000) 0.000 11.812 ( -0.000 0.000 0.000) 0.000 12.193 ( 0.000 0.000 0.000) 0.000 12.193 ( 0.000 0.000 0.000) 0.000 12.242 ( -0.000 -0.000 0.000) 0.000 12.242 ( 0.000 0.000 0.000) 0.000 12.359 ( -0.000 -0.000 0.000) 0.000 12.359 ( 0.000 0.000 0.000) 0.000 12.478 ( 0.000 -0.000 0.000) 0.000 12.478 ( 0.000 -0.000 0.000) 0.000 13.235 ( 0.000 0.000 0.000) 0.000 13.235 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 17.126 ( -0.000 -0.000 0.000) 0.000 17.126 ( 0.000 0.000 0.000) 0.000 17.148 ( 0.000 -0.000 0.000) 0.000 17.148 ( 0.000 0.000 0.000) 0.000 20.509 ( 0.000 0.000 0.000) 0.000 20.509 ( 0.000 0.000 0.000) 0.000 20.575 ( 0.000 -0.000 0.000) 0.000 20.575 ( 0.000 0.000 0.000) 0.000 22.857 ( 0.000 0.000 0.000) 0.000 22.857 ( 0.000 0.000 0.000) 0.000 22.900 ( 0.000 0.000 0.000) 0.000 22.900 ( 0.000 0.000 0.000) 0.000 29.309 ( 0.000 -0.000 0.000) 0.000 29.309 ( 0.000 0.000 0.000) 0.000 29.370 ( 0.000 -0.000 0.000) 0.000 29.370 ( 0.000 0.000 0.000) 0.000 29.736 ( 0.000 0.000 0.000) 0.000 29.736 ( 0.000 0.000 0.000) 0.000 30.023 ( 0.000 -0.000 0.000) 0.000 30.023 ( 0.000 -0.000 0.000) 0.000 30.191 ( 0.000 0.000 0.000) 0.000 30.191 ( 0.000 0.000 0.000) 0.000 30.310 ( 0.000 -0.000 0.000) 0.000 30.310 ( 0.000 -0.000 0.000) 0.000 31.001 ( 0.000 0.000 0.000) 0.000 31.001 ( 0.000 0.000 0.000) 0.000 31.073 ( 0.000 0.000 0.000) 0.000 31.073 ( 0.000 0.000 0.000) 0.000 33.803 ( 0.000 -0.000 0.000) 0.000 33.803 ( 0.000 0.000 0.000) 0.000 33.856 ( 0.000 0.000 0.000) 0.000 33.856 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 99 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.000 0.000 28.012) 28.012 0.742 ( 0.000 0.000 34.317) 34.317 1.166 ( 0.000 0.000 -20.444) 20.444 1.424 ( 0.000 0.000 18.263) 18.263 1.511 ( 0.000 0.000 13.910) 13.910 1.571 ( 0.000 0.000 30.534) 30.534 2.160 ( 0.000 0.000 -19.161) 19.161 2.545 ( 0.000 0.000 -21.478) 21.478 2.677 ( 0.000 0.000 18.819) 18.819 3.066 ( 0.000 0.000 -27.632) 27.632 3.251 ( 0.000 0.000 7.085) 7.085 3.466 ( 0.000 0.000 -13.765) 13.765 3.519 ( 0.000 0.000 -1.555) 1.555 3.654 ( 0.000 0.000 -16.322) 16.322 4.558 ( 0.000 0.000 10.434) 10.434 4.576 ( 0.000 0.000 10.104) 10.104 4.635 ( 0.000 0.000 -1.795) 1.795 4.783 ( 0.000 0.000 -8.435) 8.435 4.878 ( 0.000 0.000 7.682) 7.682 4.935 ( 0.000 0.000 3.746) 3.746 5.023 ( 0.000 0.000 -3.801) 3.801 5.230 ( 0.000 0.000 -15.946) 15.946 5.250 ( 0.000 0.000 5.047) 5.047 5.279 ( 0.000 0.000 -0.154) 0.154 5.619 ( 0.000 0.000 1.027) 1.027 5.665 ( 0.000 0.000 -4.345) 4.345 5.738 ( 0.000 0.000 11.237) 11.237 5.876 ( 0.000 0.000 12.961) 12.961 5.918 ( 0.000 0.000 -3.491) 3.491 6.096 ( 0.000 0.000 3.893) 3.893 6.201 ( 0.000 0.000 -10.834) 10.834 6.236 ( 0.000 0.000 -0.532) 0.532 6.389 ( 0.000 0.000 22.014) 22.014 6.468 ( 0.000 0.000 6.655) 6.655 6.559 ( 0.000 0.000 -1.559) 1.559 6.622 ( 0.000 0.000 1.204) 1.204 6.684 ( 0.000 0.000 -3.805) 3.805 6.691 ( 0.000 0.000 4.682) 4.682 6.729 ( 0.000 0.000 0.524) 0.524 6.828 ( 0.000 0.000 -6.712) 6.712 6.880 ( 0.000 0.000 0.215) 0.215 7.018 ( 0.000 0.000 -14.625) 14.625 7.847 ( 0.000 0.000 3.105) 3.105 7.975 ( 0.000 0.000 6.333) 6.333 7.992 ( 0.000 0.000 -8.746) 8.746 8.092 ( 0.000 0.000 1.797) 1.797 8.117 ( 0.000 0.000 -6.919) 6.919 8.131 ( 0.000 0.000 -1.554) 1.554 8.311 ( 0.000 0.000 7.558) 7.558 8.491 ( 0.000 0.000 -7.801) 7.801 10.036 ( 0.000 0.000 0.106) 0.106 10.039 ( 0.000 0.000 -0.172) 0.172 10.105 ( 0.000 0.000 6.231) 6.231 10.158 ( 0.000 0.000 9.324) 9.324 10.250 ( 0.000 0.000 -6.045) 6.045 10.350 ( 0.000 0.000 -7.380) 7.380 10.638 ( 0.000 0.000 1.407) 1.407 10.666 ( 0.000 0.000 -1.066) 1.066 10.783 ( 0.000 0.000 0.968) 0.968 10.810 ( 0.000 0.000 -1.502) 1.502 10.982 ( 0.000 0.000 3.873) 3.873 11.056 ( 0.000 0.000 -2.596) 2.596 11.320 ( 0.000 0.000 8.313) 8.313 11.512 ( 0.000 0.000 -7.959) 7.959 11.645 ( 0.000 0.000 2.826) 2.826 11.713 ( 0.000 0.000 -2.892) 2.892 13.503 ( 0.000 0.000 -0.252) 0.252 13.503 ( 0.000 0.000 -0.150) 0.150 13.610 ( 0.000 0.000 3.940) 3.940 13.694 ( 0.000 0.000 -3.336) 3.336 14.306 ( 0.000 0.000 1.753) 1.753 14.352 ( 0.000 0.000 -2.153) 2.153 14.506 ( 0.000 0.000 1.353) 1.353 14.532 ( 0.000 0.000 -0.917) 0.917 14.814 ( 0.000 0.000 0.796) 0.796 14.841 ( 0.000 0.000 -1.707) 1.707 14.948 ( 0.000 0.000 2.724) 2.724 14.998 ( 0.000 0.000 -1.753) 1.753 17.484 ( 0.000 0.000 1.858) 1.858 17.528 ( 0.000 0.000 -1.874) 1.874 19.230 ( 0.000 0.000 0.818) 0.818 19.250 ( 0.000 0.000 -0.804) 0.804 21.683 ( 0.000 0.000 0.346) 0.346 21.691 ( 0.000 0.000 -0.371) 0.371 22.007 ( 0.000 0.000 0.538) 0.538 22.019 ( 0.000 0.000 -0.516) 0.516 22.333 ( 0.000 0.000 2.377) 2.377 22.389 ( 0.000 0.000 -2.346) 2.346 28.405 ( 0.000 0.000 2.357) 2.357 28.463 ( 0.000 0.000 -2.576) 2.576 28.511 ( 0.000 0.000 0.075) 0.075 28.512 ( 0.000 0.000 -0.076) 0.076 28.557 ( 0.000 0.000 0.072) 0.072 28.558 ( 0.000 0.000 -0.070) 0.070 29.521 ( 0.000 0.000 3.604) 3.604 29.615 ( 0.000 0.000 -4.561) 4.561 29.938 ( 0.000 0.000 3.348) 3.348 30.001 ( 0.000 0.000 -2.218) 2.218 30.892 ( 0.000 0.000 3.995) 3.995 31.001 ( 0.000 0.000 -5.462) 5.462 31.203 ( 0.000 0.000 3.903) 3.903 31.298 ( 0.000 0.000 -4.104) 4.104 31.482 ( 0.000 0.000 4.777) 4.777 31.575 ( 0.000 0.000 -3.309) 3.309 33.219 ( 0.000 0.000 3.277) 3.277 33.293 ( 0.000 0.000 -3.031) 3.031 36.599 ( 0.000 0.000 0.139) 0.139 36.602 ( 0.000 0.000 -0.138) 0.138 ======================= Grid point 100 (32/60) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 29.246 0.000 16.064) 33.367 1.110 ( 26.360 0.000 21.763) 34.183 1.410 ( -2.524 0.000 3.191) 4.069 1.499 ( 25.152 0.000 -14.454) 29.010 1.721 ( 23.646 0.000 28.611) 37.117 1.771 ( 23.356 0.000 14.146) 27.305 1.914 ( -15.291 0.000 0.193) 15.292 2.530 ( -11.836 0.000 17.878) 21.441 2.561 ( -0.532 0.000 -27.743) 27.748 3.089 ( -19.704 0.000 10.598) 22.373 3.132 ( 5.013 0.000 -31.256) 31.655 3.465 ( -3.389 0.000 -26.672) 26.887 3.594 ( 14.833 0.000 -1.681) 14.928 3.624 ( 5.757 0.000 -5.801) 8.173 4.481 ( -8.578 0.000 10.917) 13.884 4.649 ( -11.170 0.000 -2.996) 11.565 4.797 ( -1.585 0.000 7.397) 7.565 4.855 ( 5.900 0.000 0.526) 5.924 4.905 ( 2.493 0.000 10.298) 10.596 4.962 ( -8.702 0.000 -3.050) 9.221 5.003 ( 10.732 0.000 -1.659) 10.860 5.038 ( -2.360 0.000 -1.099) 2.603 5.107 ( -2.660 0.000 3.627) 4.498 5.396 ( 9.450 0.000 -16.136) 18.699 5.593 ( -3.522 0.000 3.198) 4.758 5.640 ( -2.889 0.000 -2.317) 3.704 5.749 ( 2.644 0.000 11.464) 11.765 5.824 ( -8.237 0.000 14.349) 16.546 5.912 ( 0.617 0.000 -5.002) 5.040 6.057 ( -9.654 0.000 2.501) 9.973 6.182 ( -4.165 0.000 3.983) 5.763 6.201 ( -4.149 0.000 -2.552) 4.871 6.321 ( 3.428 0.000 -1.175) 3.624 6.346 ( 10.044 0.000 -8.922) 13.435 6.432 ( -8.229 0.000 4.934) 9.595 6.576 ( -0.472 0.000 -4.775) 4.798 6.617 ( -2.010 0.000 1.227) 2.355 6.647 ( -1.272 0.000 -1.493) 1.962 6.916 ( 6.797 0.000 6.379) 9.321 6.933 ( 6.468 0.000 2.777) 7.039 7.139 ( 6.775 0.000 -2.091) 7.091 7.142 ( 12.576 0.000 -3.386) 13.024 7.787 ( -14.580 0.000 2.028) 14.721 7.790 ( -5.270 0.000 -0.372) 5.283 7.956 ( -1.860 0.000 5.578) 5.880 8.059 ( -2.708 0.000 -3.502) 4.427 8.134 ( 3.052 0.000 0.903) 3.183 8.173 ( -1.063 0.000 -0.139) 1.072 8.258 ( -3.939 0.000 6.677) 7.753 8.388 ( -8.844 0.000 -4.560) 9.950 9.918 ( -8.858 0.000 3.054) 9.369 10.007 ( -2.077 0.000 -0.009) 2.078 10.014 ( -1.883 0.000 -0.577) 1.969 10.028 ( -13.985 0.000 -4.804) 14.788 10.257 ( 4.542 0.000 7.117) 8.443 10.433 ( 3.301 0.000 -8.187) 8.827 10.507 ( -22.346 0.000 0.855) 22.362 10.532 ( -23.919 0.000 -1.308) 23.955 10.710 ( 3.335 0.000 3.804) 5.059 10.752 ( 6.456 0.000 0.148) 6.458 11.045 ( 7.894 0.000 1.283) 7.997 11.074 ( 3.548 0.000 -1.113) 3.718 11.499 ( 15.328 0.000 5.116) 16.159 11.644 ( 12.436 0.000 -6.830) 14.188 11.911 ( 14.768 0.000 1.253) 14.821 12.029 ( 21.075 0.000 -12.951) 24.736 13.483 ( -3.518 0.000 1.483) 3.817 13.491 ( -0.843 0.000 -0.094) 0.848 13.552 ( -6.938 0.000 3.046) 7.577 13.555 ( -4.463 0.000 1.504) 4.710 14.311 ( -0.204 0.000 2.025) 2.035 14.359 ( -1.571 0.000 -1.511) 2.179 14.456 ( -3.376 0.000 3.228) 4.671 14.529 ( -1.749 0.000 -2.801) 3.302 14.761 ( -4.251 0.000 2.753) 5.064 14.834 ( -1.374 0.000 -3.594) 3.847 15.089 ( 8.832 0.000 -0.201) 8.835 15.114 ( 12.773 0.000 -3.980) 13.379 17.116 ( -26.429 0.000 6.297) 27.169 17.174 ( -25.017 0.000 -0.599) 25.024 19.542 ( 21.552 0.000 3.439) 21.825 19.559 ( 27.071 0.000 0.710) 27.080 21.715 ( 1.577 0.000 1.349) 2.075 21.797 ( 5.155 0.000 -7.560) 9.151 22.008 ( 0.135 0.000 0.603) 0.618 22.022 ( 0.234 0.000 -0.558) 0.605 22.244 ( -8.164 0.000 1.955) 8.395 22.292 ( -9.050 0.000 -2.052) 9.279 28.457 ( 3.704 0.000 0.705) 3.771 28.493 ( 1.115 0.000 -1.610) 1.958 28.507 ( 0.150 0.000 0.385) 0.413 28.513 ( 1.023 0.000 -0.391) 1.095 28.569 ( 1.969 0.000 0.237) 1.983 28.580 ( 3.375 0.000 -0.774) 3.463 29.583 ( 5.230 0.000 4.663) 7.007 29.680 ( 2.872 0.000 -2.634) 3.897 30.078 ( 2.727 0.000 -2.085) 3.433 30.100 ( 5.645 0.000 -2.770) 6.288 30.666 ( -11.981 0.000 10.174) 15.718 31.019 ( 2.283 0.000 -23.933) 24.042 31.438 ( 12.606 0.000 2.237) 12.803 31.450 ( 5.585 0.000 0.649) 5.623 31.609 ( 5.708 0.000 1.251) 5.843 31.772 ( 28.454 0.000 -19.776) 34.652 33.287 ( 6.823 0.000 4.132) 7.976 33.381 ( 8.677 0.000 -3.769) 9.460 35.845 ( -51.904 0.000 40.057) 65.564 36.273 ( -29.879 0.000 -8.193) 30.982 ======================= Grid point 101 (33/60) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 4.131 0.000 26.281) 26.604 1.405 ( -5.341 0.000 4.348) 6.887 1.474 ( 9.516 0.000 4.171) 10.389 1.786 ( 24.900 0.000 -0.898) 24.916 2.020 ( 9.046 0.000 19.911) 21.870 2.153 ( 25.586 0.000 -13.494) 28.927 2.243 ( -5.686 0.000 3.704) 6.786 2.600 ( 32.325 0.000 11.640) 34.357 2.623 ( 8.725 0.000 -11.874) 14.735 2.883 ( 11.235 0.000 21.788) 24.514 3.188 ( -0.755 0.000 -36.746) 36.754 3.459 ( 6.164 0.000 -30.834) 31.444 3.840 ( 11.909 0.000 -1.473) 12.000 3.876 ( 4.589 0.000 -4.632) 6.520 4.178 ( -15.602 0.000 4.728) 16.302 4.220 ( -28.674 0.000 0.917) 28.688 4.606 ( -12.363 0.000 3.917) 12.968 4.649 ( -11.591 0.000 0.443) 11.599 4.800 ( -9.245 0.000 0.888) 9.288 4.829 ( -11.613 0.000 -1.615) 11.724 4.925 ( -2.463 0.000 20.387) 20.535 5.194 ( 6.616 0.000 -7.083) 9.692 5.455 ( -6.690 0.000 11.286) 13.120 5.583 ( 19.104 0.000 -1.557) 19.167 5.599 ( 2.346 0.000 -4.137) 4.756 5.628 ( 5.093 0.000 -2.225) 5.558 5.674 ( -3.414 0.000 3.954) 5.224 5.826 ( -8.260 0.000 -7.372) 11.072 5.840 ( 7.628 0.000 4.210) 8.713 5.938 ( 2.631 0.000 -4.825) 5.496 6.153 ( 1.305 0.000 8.896) 8.991 6.273 ( 6.986 0.000 1.549) 7.155 6.382 ( 3.201 0.000 7.480) 8.137 6.474 ( -0.121 0.000 -11.818) 11.819 6.476 ( 9.562 0.000 -0.798) 9.595 6.593 ( 0.371 0.000 -0.178) 0.412 6.594 ( 1.185 0.000 0.711) 1.382 6.682 ( 6.978 0.000 -10.428) 12.548 7.022 ( 4.865 0.000 4.253) 6.462 7.063 ( 11.188 0.000 1.363) 11.271 7.211 ( -1.681 0.000 1.403) 2.190 7.243 ( -2.509 0.000 -1.352) 2.850 7.491 ( -15.270 0.000 10.072) 18.293 7.614 ( -13.594 0.000 -0.768) 13.616 7.927 ( 0.163 0.000 -3.818) 3.821 7.932 ( -8.844 0.000 -3.158) 9.391 8.145 ( -0.328 0.000 2.324) 2.347 8.181 ( 2.124 0.000 -1.601) 2.660 8.230 ( 1.117 0.000 4.430) 4.569 8.253 ( -4.328 0.000 2.424) 4.961 9.767 ( -14.502 0.000 -0.786) 14.524 9.773 ( -9.467 0.000 -2.181) 9.715 9.941 ( -11.985 0.000 -1.777) 12.116 9.947 ( -8.326 0.000 -2.112) 8.590 10.070 ( -13.527 0.000 1.679) 13.631 10.090 ( -12.398 0.000 -0.296) 12.402 10.345 ( 4.454 0.000 5.353) 6.964 10.480 ( 1.853 0.000 -6.525) 6.783 10.714 ( -2.279 0.000 3.997) 4.601 10.786 ( -3.132 0.000 -2.452) 3.978 11.253 ( 13.411 0.000 1.065) 13.453 11.272 ( 13.716 0.000 -0.586) 13.728 11.746 ( 8.290 0.000 3.701) 9.079 11.839 ( 5.014 0.000 -4.067) 6.456 12.247 ( 20.369 0.000 2.425) 20.513 12.360 ( 15.391 0.000 -8.166) 17.423 13.350 ( -7.556 0.000 6.445) 9.931 13.443 ( -5.359 0.000 -2.364) 5.858 13.513 ( 1.625 0.000 0.655) 1.752 13.526 ( 1.247 0.000 -0.418) 1.315 14.189 ( -13.142 0.000 2.518) 13.381 14.223 ( -10.743 0.000 -0.256) 10.746 14.485 ( -0.125 0.000 -2.418) 2.421 14.486 ( 4.381 0.000 -1.946) 4.794 14.697 ( -2.399 0.000 5.660) 6.147 14.802 ( -1.933 0.000 -3.732) 4.203 15.308 ( 12.973 0.000 1.485) 13.058 15.365 ( 13.120 0.000 -3.733) 13.641 16.663 ( -20.964 0.000 1.811) 21.043 16.686 ( -23.789 0.000 -0.401) 23.792 20.003 ( 25.532 0.000 7.076) 26.494 20.110 ( 28.064 0.000 -2.528) 28.178 21.700 ( -4.997 0.000 2.168) 5.447 21.778 ( -8.562 0.000 -4.704) 9.768 22.010 ( -0.059 0.000 0.699) 0.702 22.023 ( -0.234 0.000 -0.390) 0.455 22.082 ( -6.018 0.000 0.482) 6.037 22.099 ( -8.701 0.000 -0.928) 8.751 28.490 ( 0.435 0.000 -0.008) 0.435 28.496 ( 0.020 0.000 -0.349) 0.350 28.519 ( 0.266 0.000 0.281) 0.387 28.526 ( -0.004 0.000 -0.298) 0.298 28.682 ( 9.437 0.000 1.005) 9.490 28.721 ( 10.309 0.000 -2.307) 10.564 29.653 ( -7.209 0.000 2.368) 7.588 29.659 ( -0.238 0.000 2.160) 2.173 30.082 ( -3.690 0.000 -3.185) 4.875 30.098 ( 4.200 0.000 -3.225) 5.295 30.562 ( -1.880 0.000 17.158) 17.261 30.959 ( -8.234 0.000 -16.321) 18.281 31.601 ( 7.840 0.000 -0.523) 7.858 31.647 ( 13.728 0.000 -5.134) 14.657 31.802 ( 9.912 0.000 10.570) 14.491 32.182 ( 11.884 0.000 -28.118) 30.527 33.470 ( 11.665 0.000 6.440) 13.324 33.614 ( 14.934 0.000 -5.662) 15.971 35.012 ( -34.070 0.000 39.913) 52.477 35.602 ( -35.958 0.000 -16.041) 39.374 ======================= Grid point 102 (34/60) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 2.260 0.000 26.083) 26.180 1.527 ( 20.913 0.000 0.330) 20.916 1.543 ( -1.161 0.000 13.898) 13.946 2.129 ( 11.637 0.000 30.439) 32.587 2.215 ( 15.492 0.000 -25.545) 29.875 2.403 ( 16.885 0.000 7.109) 18.321 2.596 ( 16.830 0.000 -16.043) 23.251 2.742 ( -3.785 0.000 6.555) 7.569 2.784 ( 3.148 0.000 -10.072) 10.553 3.078 ( -7.322 0.000 -33.271) 34.067 3.452 ( -30.343 0.000 8.174) 31.425 3.539 ( -14.180 0.000 -0.841) 14.205 3.604 ( 37.182 0.000 3.040) 37.306 3.795 ( 3.245 0.000 -13.108) 13.504 4.050 ( 8.762 0.000 6.160) 10.711 4.239 ( 9.245 0.000 -10.529) 14.012 4.363 ( -13.604 0.000 10.183) 16.993 4.515 ( -8.914 0.000 -3.257) 9.491 4.631 ( -0.881 0.000 2.348) 2.508 4.659 ( -4.590 0.000 1.123) 4.725 4.885 ( 0.346 0.000 25.005) 25.007 5.256 ( -11.023 0.000 12.354) 16.557 5.312 ( 6.013 0.000 -10.884) 12.435 5.496 ( -7.864 0.000 -9.613) 12.420 5.520 ( -4.659 0.000 -2.057) 5.093 5.565 ( -9.909 0.000 -6.013) 11.591 5.729 ( -8.086 0.000 1.216) 8.177 5.749 ( -4.958 0.000 -0.758) 5.016 6.112 ( 12.668 0.000 0.424) 12.675 6.152 ( 19.899 0.000 -3.017) 20.126 6.255 ( 7.675 0.000 4.598) 8.947 6.392 ( 2.159 0.000 -5.584) 5.987 6.462 ( 4.585 0.000 -1.247) 4.752 6.464 ( 2.945 0.000 1.789) 3.446 6.598 ( 0.534 0.000 2.810) 2.860 6.605 ( 5.955 0.000 5.273) 7.954 6.779 ( 13.445 0.000 -3.735) 13.954 6.847 ( 5.039 0.000 -3.805) 6.314 6.984 ( -15.918 0.000 7.313) 17.517 7.080 ( -8.483 0.000 0.524) 8.499 7.152 ( 2.919 0.000 2.486) 3.834 7.206 ( -0.514 0.000 -1.029) 1.150 7.312 ( -14.986 0.000 1.055) 15.023 7.335 ( -1.193 0.000 -1.510) 1.925 7.843 ( 1.236 0.000 2.909) 3.161 7.970 ( 4.123 0.000 -7.608) 8.653 8.137 ( -7.080 0.000 5.292) 8.840 8.209 ( -2.802 0.000 -0.960) 2.962 8.289 ( 16.048 0.000 0.792) 16.068 8.307 ( 11.335 0.000 -0.909) 11.371 9.284 ( -31.091 0.000 2.643) 31.204 9.346 ( -29.320 0.000 -2.682) 29.442 9.792 ( 0.086 0.000 1.960) 1.962 9.881 ( 2.495 0.000 -5.963) 6.464 9.967 ( -4.459 0.000 2.173) 4.960 10.017 ( -1.986 0.000 -2.061) 2.862 10.437 ( 5.182 0.000 3.564) 6.289 10.519 ( 2.402 0.000 -3.622) 4.346 10.650 ( -3.854 0.000 1.643) 4.189 10.682 ( -6.641 0.000 -1.124) 6.736 11.516 ( 12.519 0.000 0.727) 12.540 11.531 ( 12.257 0.000 -0.542) 12.269 11.808 ( -1.298 0.000 1.692) 2.133 11.847 ( -3.258 0.000 -1.557) 3.611 12.667 ( 21.710 0.000 -0.589) 21.718 12.671 ( 16.413 0.000 -1.167) 16.454 13.192 ( -9.263 0.000 6.030) 11.052 13.305 ( -9.332 0.000 -3.828) 10.087 13.576 ( 4.101 0.000 0.029) 4.101 13.578 ( 4.880 0.000 -0.152) 4.882 13.919 ( -13.525 0.000 1.343) 13.592 13.952 ( -14.786 0.000 -1.421) 14.854 14.524 ( 3.189 0.000 1.483) 3.517 14.583 ( 5.206 0.000 -3.099) 6.058 14.650 ( -2.667 0.000 5.520) 6.131 14.754 ( -3.121 0.000 -3.607) 4.770 15.580 ( 15.050 0.000 1.882) 15.168 15.633 ( 14.671 0.000 -2.633) 14.905 16.260 ( -20.224 0.000 0.970) 20.248 16.280 ( -18.624 0.000 -0.744) 18.639 20.516 ( 26.770 0.000 5.813) 27.394 20.631 ( 25.400 0.000 -3.950) 25.705 21.475 ( -20.616 0.000 0.035) 20.616 21.479 ( -16.813 0.000 -0.278) 16.815 22.002 ( -0.834 0.000 0.526) 0.986 22.010 ( -1.012 0.000 0.998) 1.421 22.016 ( -0.133 0.000 -0.736) 0.748 22.031 ( -0.821 0.000 -0.750) 1.112 28.498 ( 0.441 0.000 -0.001) 0.441 28.500 ( 0.405 0.000 -0.154) 0.433 28.516 ( -0.377 0.000 0.159) 0.409 28.520 ( -0.458 0.000 -0.168) 0.488 28.902 ( 12.748 0.000 1.627) 12.851 28.955 ( 13.386 0.000 -2.867) 13.690 29.436 ( -13.467 0.000 3.133) 13.827 29.509 ( -13.108 0.000 -2.964) 13.439 30.130 ( 7.695 0.000 5.113) 9.239 30.261 ( 11.211 0.000 -5.510) 12.492 30.478 ( -7.047 0.000 12.711) 14.534 30.750 ( -12.359 0.000 -10.337) 16.112 31.771 ( 8.680 0.000 3.903) 9.517 31.923 ( 13.636 0.000 -9.074) 16.380 31.925 ( 2.528 0.000 10.813) 11.105 32.268 ( -1.747 0.000 -20.749) 20.823 33.730 ( 14.970 0.000 10.512) 18.292 33.953 ( 19.911 0.000 -8.471) 21.638 34.462 ( -23.862 0.000 27.118) 36.121 34.942 ( -31.399 0.000 -15.614) 35.067 ======================= Grid point 103 (35/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -3.313 0.000 32.281) 32.450 1.497 ( 3.313 0.000 32.281) 32.450 2.081 ( -28.947 0.000 -17.615) 33.886 2.081 ( 28.947 0.000 -17.615) 33.886 2.451 ( -17.959 0.000 7.951) 19.640 2.451 ( 17.959 0.000 7.951) 19.640 2.746 ( -6.711 0.000 -16.865) 18.152 2.746 ( 6.711 0.000 -16.865) 18.152 2.882 ( -26.124 0.000 10.967) 28.333 2.882 ( 26.124 0.000 10.967) 28.333 3.204 ( -16.502 0.000 -19.727) 25.719 3.204 ( 16.502 0.000 -19.727) 25.719 3.983 ( -14.398 0.000 7.592) 16.277 3.983 ( 14.398 0.000 7.592) 16.277 4.143 ( -19.645 0.000 -5.773) 20.476 4.143 ( 19.645 0.000 -5.773) 20.476 4.439 ( -17.626 0.000 13.455) 22.175 4.439 ( 17.626 0.000 13.455) 22.175 4.580 ( -11.863 0.000 -2.718) 12.170 4.580 ( 11.863 0.000 -2.718) 12.170 5.033 ( -11.792 0.000 11.762) 16.655 5.033 ( 11.792 0.000 11.762) 16.655 5.362 ( -2.926 0.000 -14.160) 14.459 5.362 ( 2.926 0.000 -14.160) 14.459 5.546 ( -7.304 0.000 0.631) 7.331 5.546 ( 7.304 0.000 0.631) 7.331 5.571 ( -9.937 0.000 -2.552) 10.259 5.571 ( 9.937 0.000 -2.552) 10.259 6.344 ( -8.552 0.000 1.420) 8.669 6.344 ( 8.552 0.000 1.420) 8.669 6.359 ( -0.984 0.000 -0.560) 1.132 6.359 ( 0.984 0.000 -0.560) 1.132 6.567 ( -4.821 0.000 1.674) 5.103 6.567 ( 4.821 0.000 1.674) 5.103 6.593 ( -10.360 0.000 -0.241) 10.363 6.593 ( 10.360 0.000 -0.241) 10.363 6.829 ( -6.251 0.000 6.550) 9.055 6.829 ( 6.251 0.000 6.550) 9.055 6.937 ( -5.557 0.000 -2.354) 6.035 6.937 ( 5.557 0.000 -2.354) 6.035 7.167 ( -1.592 0.000 1.983) 2.543 7.167 ( 1.592 0.000 1.983) 2.543 7.260 ( -6.042 0.000 -5.560) 8.211 7.260 ( 6.042 0.000 -5.560) 8.211 7.961 ( -9.358 0.000 5.982) 11.107 7.961 ( 9.358 0.000 5.982) 11.107 8.091 ( -7.669 0.000 -5.221) 9.277 8.091 ( 7.669 0.000 -5.221) 9.277 8.696 ( -27.273 0.000 2.769) 27.413 8.696 ( 27.273 0.000 2.769) 27.413 8.761 ( -29.352 0.000 -2.747) 29.480 8.761 ( 29.352 0.000 -2.747) 29.480 9.863 ( -5.611 0.000 3.301) 6.510 9.863 ( 5.611 0.000 3.301) 6.510 9.957 ( -4.130 0.000 -4.869) 6.384 9.957 ( 4.130 0.000 -4.869) 6.384 10.551 ( -6.485 0.000 1.343) 6.623 10.551 ( 6.485 0.000 1.343) 6.623 10.576 ( -3.499 0.000 -0.981) 3.634 10.576 ( 3.499 0.000 -0.981) 3.634 11.716 ( -7.810 0.000 0.735) 7.844 11.716 ( 7.810 0.000 0.735) 7.844 11.733 ( -8.315 0.000 -0.629) 8.339 11.733 ( 8.315 0.000 -0.629) 8.339 12.971 ( -13.735 0.000 3.541) 14.184 12.971 ( 13.735 0.000 3.541) 14.184 13.052 ( -16.974 0.000 -3.366) 17.304 13.052 ( 16.974 0.000 -3.366) 17.304 13.698 ( -8.777 0.000 0.531) 8.793 13.698 ( 8.777 0.000 0.531) 8.793 13.711 ( -9.360 0.000 -0.615) 9.380 13.711 ( 9.360 0.000 -0.615) 9.380 14.591 ( -3.378 0.000 4.000) 5.236 14.591 ( 3.378 0.000 4.000) 5.236 14.679 ( -4.512 0.000 -3.486) 5.702 14.679 ( 4.512 0.000 -3.486) 5.702 15.895 ( -17.410 0.000 1.716) 17.494 15.895 ( 17.410 0.000 1.716) 17.494 15.937 ( -16.670 0.000 -1.868) 16.774 15.937 ( 16.670 0.000 -1.868) 16.774 21.024 ( -25.158 0.000 3.164) 25.356 21.024 ( 25.158 0.000 3.164) 25.356 21.094 ( -22.148 0.000 -2.704) 22.312 21.094 ( 22.148 0.000 -2.704) 22.312 21.999 ( -0.370 0.000 0.962) 1.031 21.999 ( 0.370 0.000 0.962) 1.031 22.020 ( -0.416 0.000 -0.804) 0.905 22.020 ( 0.416 0.000 -0.804) 0.905 28.507 ( -0.516 0.000 0.080) 0.522 28.507 ( 0.516 0.000 0.080) 0.522 28.510 ( -0.574 0.000 -0.127) 0.588 28.510 ( 0.574 0.000 -0.127) 0.588 29.165 ( -14.013 0.000 2.344) 14.208 29.165 ( 14.013 0.000 2.344) 14.208 29.230 ( -14.676 0.000 -3.256) 15.033 29.230 ( 14.676 0.000 -3.256) 15.033 30.309 ( -9.670 0.000 8.818) 13.087 30.309 ( 9.670 0.000 8.818) 13.087 30.500 ( -12.981 0.000 -7.365) 14.924 30.500 ( 12.981 0.000 -7.365) 14.924 31.904 ( -4.382 0.000 7.957) 9.084 31.904 ( 4.382 0.000 7.957) 9.084 32.152 ( -9.464 0.000 -13.797) 16.730 32.152 ( 9.464 0.000 -13.797) 16.730 34.054 ( -18.549 0.000 17.098) 25.227 34.054 ( 18.549 0.000 17.098) 25.227 34.391 ( -25.327 0.000 -12.071) 28.056 34.391 ( 25.327 0.000 -12.071) 28.056 ======================= Grid point 108 (36/60) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.000 35.012 15.000) 38.089 1.196 ( 0.000 26.575 27.938) 38.558 1.411 ( 0.000 18.659 -6.261) 19.682 1.699 ( 0.000 24.621 10.204) 26.652 1.743 ( 0.000 18.082 14.436) 23.137 1.819 ( 0.000 27.158 15.468) 31.254 2.164 ( 0.000 0.920 -15.538) 15.565 2.542 ( 0.000 11.107 -2.649) 11.419 2.856 ( 0.000 0.465 -3.160) 3.194 3.119 ( 0.000 10.656 -38.614) 40.057 3.182 ( 0.000 -5.267 10.883) 12.091 3.483 ( 0.000 1.035 -15.149) 15.184 3.737 ( 0.000 22.089 9.352) 23.987 4.018 ( 0.000 31.532 -12.835) 34.044 4.531 ( 0.000 -1.958 10.352) 10.535 4.644 ( 0.000 5.648 7.870) 9.687 4.693 ( 0.000 4.402 -2.447) 5.036 4.756 ( 0.000 -2.500 -6.511) 6.975 4.894 ( 0.000 1.543 6.842) 7.014 4.899 ( 0.000 -5.983 -5.178) 7.913 4.912 ( 0.000 -2.663 -6.069) 6.628 5.169 ( 0.000 -5.527 -7.021) 8.935 5.248 ( 0.000 -4.321 2.840) 5.170 5.305 ( 0.000 -3.627 -2.701) 4.522 5.464 ( 0.000 -12.164 -1.608) 12.270 5.499 ( 0.000 -11.103 -6.529) 12.881 5.793 ( 0.000 -4.459 17.928) 18.474 5.794 ( 0.000 0.129 5.990) 5.991 5.875 ( 0.000 -5.576 0.101) 5.577 6.064 ( 0.000 -4.751 9.047) 10.219 6.173 ( 0.000 -1.455 -3.615) 3.897 6.247 ( 0.000 4.422 -14.874) 15.517 6.327 ( 0.000 -9.407 5.530) 10.912 6.387 ( 0.000 -12.193 1.156) 12.247 6.498 ( 0.000 -7.141 -0.654) 7.171 6.554 ( 0.000 -6.282 -2.712) 6.842 6.563 ( 0.000 10.665 12.784) 16.649 6.700 ( 0.000 1.742 6.199) 6.439 6.969 ( 0.000 7.274 2.675) 7.750 6.985 ( 0.000 11.986 -1.447) 12.073 6.999 ( 0.000 15.185 -2.234) 15.349 7.095 ( 0.000 4.721 -7.061) 8.494 7.836 ( 0.000 -0.811 2.429) 2.560 7.888 ( 0.000 -1.492 -0.328) 1.528 7.950 ( 0.000 -10.433 1.819) 10.590 7.964 ( 0.000 -8.693 0.427) 8.704 8.090 ( 0.000 5.803 -2.701) 6.401 8.119 ( 0.000 1.914 -1.729) 2.579 8.543 ( 0.000 14.474 5.275) 15.405 8.690 ( 0.000 14.463 -7.029) 16.080 9.879 ( 0.000 -15.946 4.602) 16.597 9.979 ( 0.000 -16.778 -4.039) 17.257 10.086 ( 0.000 3.675 1.496) 3.967 10.117 ( 0.000 5.718 -1.073) 5.818 10.118 ( 0.000 -0.727 7.862) 7.896 10.344 ( 0.000 -1.708 -11.596) 11.721 10.628 ( 0.000 -0.685 2.264) 2.365 10.663 ( 0.000 -0.492 -0.352) 0.605 10.937 ( 0.000 1.847 1.808) 2.585 10.990 ( 0.000 8.704 -2.792) 9.141 11.118 ( 0.000 11.298 1.087) 11.350 11.132 ( 0.000 18.219 -0.190) 18.220 11.298 ( 0.000 0.815 5.136) 5.200 11.436 ( 0.000 -4.222 -6.380) 7.651 11.686 ( 0.000 4.504 3.430) 5.662 11.767 ( 0.000 5.674 -3.379) 6.604 13.351 ( 0.000 -6.852 1.775) 7.078 13.399 ( 0.000 -7.768 -2.854) 8.276 13.658 ( 0.000 -2.271 9.208) 9.484 13.906 ( 0.000 -1.610 -14.866) 14.953 14.201 ( 0.000 -10.343 1.591) 10.464 14.243 ( 0.000 -11.003 -2.085) 11.199 14.330 ( 0.000 -16.385 1.471) 16.451 14.357 ( 0.000 -16.673 -0.948) 16.700 14.619 ( 0.000 -12.233 7.329) 14.261 14.711 ( 0.000 -8.361 -2.192) 8.643 15.339 ( 0.000 33.005 6.927) 33.724 15.607 ( 0.000 38.188 -20.283) 43.240 17.599 ( 0.000 11.285 9.873) 14.994 17.681 ( 0.000 18.645 -0.398) 18.649 19.018 ( 0.000 -18.484 1.144) 18.519 19.045 ( 0.000 -18.012 -1.111) 18.046 21.653 ( 0.000 -3.190 0.403) 3.216 21.663 ( 0.000 -3.047 -0.446) 3.080 22.185 ( 0.000 15.537 1.391) 15.600 22.217 ( 0.000 16.890 -1.357) 16.945 22.269 ( 0.000 -3.818 3.015) 4.864 22.408 ( 0.000 1.014 -10.669) 10.717 28.480 ( 0.000 7.173 2.476) 7.588 28.541 ( 0.000 7.448 -2.708) 7.925 28.568 ( 0.000 6.468 0.642) 6.500 28.583 ( 0.000 7.165 -0.641) 7.194 28.901 ( 0.000 27.636 9.593) 29.253 29.339 ( 0.000 42.104 -36.737) 55.878 29.560 ( 0.000 3.812 3.438) 5.134 29.650 ( 0.000 3.378 -4.390) 5.539 29.922 ( 0.000 -1.476 3.109) 3.442 29.979 ( 0.000 -2.096 -1.946) 2.860 30.829 ( 0.000 -5.865 4.243) 7.239 30.973 ( 0.000 -3.248 -10.271) 10.772 31.193 ( 0.000 -0.988 3.346) 3.489 31.274 ( 0.000 -2.288 -3.502) 4.183 31.496 ( 0.000 1.068 3.061) 3.242 31.583 ( 0.000 0.415 -4.978) 4.996 33.246 ( 0.000 2.722 2.762) 3.878 33.310 ( 0.000 1.628 -2.583) 3.053 35.745 ( 0.000 -52.847 44.604) 69.154 36.236 ( 0.000 -31.054 -9.679) 32.528 ======================= Grid point 109 (37/60) ======================= q-point: ( 0.12 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 17.679 22.077 16.791) 32.892 1.417 ( 14.148 16.260 27.492) 34.933 1.554 ( 4.360 11.053 13.626) 18.078 1.678 ( 11.797 19.329 -15.594) 27.495 1.830 ( -0.308 7.158 6.232) 9.496 2.045 ( 14.958 21.937 2.007) 26.627 2.251 ( 21.211 29.769 10.877) 38.137 2.589 ( -6.044 10.304 2.537) 12.212 2.714 ( -0.914 8.419 -15.558) 17.714 3.089 ( -3.604 4.721 -22.379) 23.154 3.346 ( -5.899 13.755 5.539) 15.959 3.522 ( 8.606 -2.542 -8.514) 12.370 3.642 ( 9.580 3.314 -5.723) 11.641 3.743 ( -13.879 23.528 -15.817) 31.566 4.399 ( -14.187 -7.690 8.328) 18.159 4.544 ( -19.381 -10.285 -4.280) 22.354 4.734 ( -0.993 -1.632 1.504) 2.431 4.766 ( -7.472 -0.045 2.596) 7.910 4.896 ( 1.192 -0.929 3.072) 3.423 4.984 ( -0.806 -0.339 -2.742) 2.878 5.089 ( 12.803 3.280 8.581) 15.757 5.144 ( -2.722 0.101 0.303) 2.740 5.181 ( 9.639 7.170 -1.510) 12.108 5.382 ( 12.181 -1.825 -8.443) 14.933 5.503 ( 0.145 -8.564 0.668) 8.592 5.542 ( 3.613 -5.680 -5.042) 8.411 5.741 ( -4.400 -2.534 14.291) 15.166 5.783 ( -3.982 -1.924 4.398) 6.237 5.911 ( 2.439 -1.428 1.045) 3.013 6.011 ( -5.157 -7.766 1.154) 9.394 6.092 ( -0.100 2.896 3.722) 4.717 6.253 ( 2.137 -3.963 -7.136) 8.438 6.257 ( -6.856 -0.679 3.249) 7.617 6.367 ( -3.477 1.807 -5.803) 7.002 6.471 ( -0.270 -7.843 -0.725) 7.881 6.519 ( 3.450 -0.114 -6.096) 7.005 6.540 ( 0.596 -0.063 9.834) 9.853 6.713 ( 2.747 3.958 -3.781) 6.124 6.935 ( 3.442 4.904 4.859) 7.713 6.997 ( -1.911 4.026 1.171) 4.608 7.210 ( 8.022 7.056 1.183) 10.749 7.265 ( 11.052 8.180 -3.015) 14.076 7.725 ( -10.861 -4.421 3.996) 12.388 7.793 ( -7.022 0.103 -3.348) 7.780 7.893 ( -4.836 -6.013 2.532) 8.121 7.936 ( -3.932 -8.369 -1.198) 9.324 8.079 ( -0.583 2.060 2.754) 3.488 8.130 ( 1.495 2.188 -1.497) 3.044 8.514 ( -3.031 15.142 5.922) 16.539 8.644 ( -4.300 16.674 -5.140) 17.970 9.759 ( -9.488 -14.019 2.373) 17.094 9.842 ( -11.502 -14.128 -4.306) 18.721 10.056 ( -1.729 3.358 0.727) 3.847 10.073 ( -2.746 4.435 -0.618) 5.253 10.155 ( 0.811 -1.684 6.237) 6.511 10.336 ( -3.416 -0.977 -8.931) 9.612 10.642 ( -3.942 2.562 2.084) 5.143 10.692 ( -1.108 3.180 -2.377) 4.122 10.835 ( -8.319 11.709 1.334) 14.425 10.859 ( -8.735 13.580 -0.637) 16.160 11.048 ( 5.400 0.375 2.679) 6.039 11.094 ( 3.408 2.106 -1.419) 4.250 11.550 ( 15.486 4.620 3.977) 16.643 11.657 ( 15.022 0.998 -4.900) 15.832 11.912 ( 14.174 2.101 -0.928) 14.359 11.926 ( 17.773 -1.972 -2.678) 18.082 13.321 ( -2.921 -7.359 2.141) 8.202 13.370 ( -2.573 -8.568 -2.624) 9.323 13.572 ( -7.052 -3.732 6.723) 10.433 13.725 ( -13.118 -0.484 -7.197) 14.970 14.210 ( -0.041 -10.159 2.290) 10.414 14.266 ( 1.108 -9.926 -2.600) 10.321 14.345 ( -1.057 -12.107 1.367) 12.230 14.379 ( 1.104 -15.427 -1.294) 15.521 14.598 ( -0.796 -16.165 3.804) 16.626 14.649 ( -5.498 -8.950 -1.169) 10.568 15.386 ( 4.791 28.749 5.632) 29.685 15.577 ( -0.760 32.239 -12.293) 34.511 17.256 ( -25.242 13.668 6.736) 29.484 17.333 ( -27.345 14.725 -1.280) 31.084 19.325 ( 23.237 -17.418 4.206) 29.343 19.374 ( 27.261 -15.362 -0.629) 31.298 21.631 ( -3.426 -6.900 1.454) 7.840 21.692 ( -0.438 -6.947 -4.057) 8.057 22.197 ( 1.112 15.849 1.271) 15.939 22.226 ( 0.830 16.987 -1.184) 17.048 22.267 ( 0.044 2.305 3.098) 3.862 22.381 ( -2.157 5.377 -7.507) 9.483 28.530 ( 3.720 6.810 1.561) 7.915 28.565 ( 0.520 6.741 -1.091) 6.849 28.580 ( 1.945 6.899 0.966) 7.232 28.612 ( 4.749 7.690 -1.376) 9.142 28.827 ( -5.159 21.933 4.654) 23.007 29.001 ( -17.057 29.691 -10.869) 35.925 29.626 ( 5.342 4.150 4.739) 8.260 29.721 ( 2.640 3.990 -2.331) 5.322 30.066 ( 2.864 -1.248 -1.996) 3.707 30.082 ( 6.005 -1.656 -2.423) 6.683 30.641 ( -10.952 -2.383 9.604) 14.760 30.974 ( 1.046 -4.275 -21.510) 21.955 31.383 ( 11.513 -4.997 2.112) 12.728 31.407 ( 6.390 -4.225 -0.168) 7.662 31.582 ( 4.862 -2.462 1.866) 5.761 31.738 ( 19.916 -3.214 -16.884) 26.307 33.310 ( 6.352 2.277 3.546) 7.622 33.391 ( 8.117 1.084 -3.295) 8.827 35.394 ( -28.768 -32.965 45.860) 63.383 35.980 ( -23.973 -25.577 -13.579) 37.594 ======================= Grid point 110 (38/60) ======================= q-point: ( 0.25 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 1.637 11.379 21.216) 24.130 1.632 ( 8.262 17.316 9.950) 21.612 1.720 ( 2.535 20.765 5.034) 21.516 1.933 ( 25.769 10.633 7.375) 28.836 2.102 ( 20.908 5.853 6.079) 22.547 2.199 ( -1.128 5.391 6.880) 8.813 2.414 ( 3.842 14.026 -15.459) 21.224 2.730 ( 8.138 13.731 -3.776) 16.402 2.833 ( 8.912 15.222 1.603) 17.712 3.052 ( 15.946 11.143 -4.661) 20.004 3.254 ( -2.843 7.407 -13.585) 15.732 3.579 ( 0.516 9.069 -22.574) 24.333 3.830 ( -1.962 -0.404 -0.514) 2.068 3.863 ( 8.738 3.926 -3.086) 10.064 4.085 ( -18.342 -9.802 3.159) 21.036 4.136 ( 1.748 -0.991 -0.434) 2.056 4.590 ( -10.006 0.939 4.815) 11.144 4.639 ( -10.579 -4.918 0.487) 11.677 4.819 ( -11.715 4.261 1.993) 12.624 4.853 ( -7.560 1.590 1.847) 7.943 4.982 ( -4.788 4.216 12.867) 14.361 5.188 ( 2.830 -1.750 -5.192) 6.167 5.426 ( -7.263 -1.376 5.927) 9.475 5.495 ( -4.004 -7.125 -1.130) 8.251 5.580 ( 4.742 -3.170 -2.104) 6.079 5.656 ( 15.878 2.501 -3.158) 16.381 5.711 ( -2.157 1.813 2.698) 3.901 5.758 ( 2.194 -3.290 -2.470) 4.662 5.914 ( 3.193 2.965 0.910) 4.451 5.971 ( 1.948 -0.473 -2.470) 3.181 6.168 ( 6.215 -1.664 5.408) 8.405 6.188 ( 0.277 1.287 4.941) 5.113 6.348 ( 6.696 -4.335 0.164) 7.978 6.418 ( 0.310 -4.898 -1.636) 5.173 6.461 ( 3.551 -6.298 -2.811) 7.757 6.520 ( 4.228 -1.615 -6.907) 8.258 6.639 ( 4.542 8.545 4.473) 10.661 6.813 ( 5.666 7.052 -7.034) 11.459 7.009 ( 4.682 0.133 4.252) 6.326 7.068 ( 10.910 0.342 0.041) 10.915 7.258 ( -4.480 3.816 2.210) 6.286 7.313 ( -5.674 5.430 -2.690) 8.302 7.482 ( -11.940 -0.850 10.118) 15.674 7.628 ( -11.469 1.244 -1.723) 11.664 7.816 ( -4.704 -5.918 -1.755) 7.761 7.828 ( -1.789 -5.748 -3.056) 6.751 8.100 ( 2.737 0.792 2.689) 3.917 8.155 ( 0.394 2.090 -1.886) 2.843 8.462 ( -1.159 15.378 5.663) 16.428 8.547 ( -4.993 17.114 -1.948) 17.934 9.553 ( -11.915 -14.550 1.222) 18.846 9.610 ( -12.788 -12.137 -3.473) 17.970 10.013 ( -4.327 4.232 0.778) 6.103 10.039 ( -2.724 4.194 -0.366) 5.014 10.075 ( -6.713 1.725 0.583) 6.956 10.137 ( -14.744 6.163 -3.841) 16.436 10.525 ( -4.609 13.137 1.827) 14.042 10.573 ( -1.103 6.539 -2.317) 7.024 10.763 ( -3.306 5.646 1.879) 6.807 10.806 ( -2.545 2.320 -1.687) 3.834 11.245 ( 13.323 -0.892 1.822) 13.477 11.276 ( 12.957 0.470 -0.823) 12.991 11.780 ( 6.970 2.582 3.134) 8.066 11.854 ( 4.661 0.891 -3.078) 5.656 12.250 ( 19.830 1.133 0.503) 19.869 12.295 ( 19.260 -2.479 -3.713) 19.771 13.244 ( -5.070 -7.846 3.560) 9.997 13.312 ( -3.612 -9.986 -2.743) 10.968 13.453 ( -3.690 -7.217 3.539) 8.845 13.525 ( -6.270 -4.610 -2.759) 8.257 14.117 ( -11.170 -7.575 3.380) 13.913 14.170 ( -10.246 -5.739 -0.852) 11.775 14.367 ( 2.203 -12.156 -1.201) 12.412 14.395 ( 2.902 -10.928 -2.910) 11.675 14.559 ( -2.695 -12.670 3.109) 13.322 14.603 ( 0.489 -17.893 -0.719) 17.914 15.521 ( 8.965 21.069 3.641) 23.184 15.627 ( 5.851 22.448 -5.509) 23.844 16.789 ( -22.312 11.941 1.435) 25.347 16.807 ( -25.358 11.468 -0.244) 27.832 19.812 ( 26.268 -14.948 6.332) 30.879 19.921 ( 27.501 -14.821 -3.106) 31.394 21.498 ( -10.519 -12.621 2.135) 16.568 21.568 ( -12.073 -11.798 -3.840) 17.311 22.221 ( 1.233 17.107 1.101) 17.186 22.246 ( 1.143 17.506 -0.873) 17.565 22.274 ( 0.520 13.587 2.489) 13.823 22.345 ( -1.368 13.689 -3.521) 14.200 28.558 ( 0.430 6.491 0.163) 6.508 28.569 ( 0.300 6.903 -0.721) 6.947 28.648 ( 0.640 11.320 3.785) 11.953 28.737 ( 4.830 10.003 -2.682) 11.428 28.775 ( -1.435 15.187 0.223) 15.256 28.827 ( 4.971 10.957 -2.918) 12.381 29.692 ( -6.200 3.784 2.829) 7.795 29.708 ( -0.708 4.645 1.930) 5.079 30.073 ( -1.279 -0.628 -2.402) 2.793 30.101 ( 2.804 0.089 -3.808) 4.730 30.538 ( -1.880 -2.272 16.522) 16.783 30.917 ( -7.278 -4.004 -15.584) 17.660 31.543 ( 7.006 -5.689 -0.306) 9.030 31.585 ( 11.882 -5.895 -4.420) 13.981 31.727 ( 7.998 -6.877 9.596) 14.260 32.061 ( 10.316 -10.950 -23.477) 27.883 33.480 ( 10.825 1.032 5.748) 12.300 33.610 ( 13.992 -0.333 -5.143) 14.911 34.841 ( -26.269 -14.545 36.719) 47.433 35.422 ( -30.981 -16.333 -16.866) 38.872 ======================= Grid point 111 (39/60) ======================= q-point: ( 0.38 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 6.406 8.779 20.493) 23.196 1.691 ( -5.519 14.991 0.296) 15.977 1.757 ( 5.290 15.627 14.263) 21.809 2.125 ( 7.321 0.032 26.276) 27.277 2.335 ( 8.422 7.031 -16.970) 20.207 2.602 ( 10.885 13.411 -0.234) 17.274 2.641 ( 20.843 7.088 -3.124) 22.236 2.882 ( 2.558 8.818 1.154) 9.254 2.949 ( 7.833 10.880 -17.351) 21.927 3.092 ( -6.366 1.453 -25.261) 26.092 3.230 ( -4.433 -13.096 7.474) 15.717 3.512 ( -3.638 -5.855 -13.284) 14.966 3.799 ( 0.066 15.464 0.361) 15.468 3.840 ( 3.214 17.423 -3.076) 17.982 4.115 ( 4.605 5.563 9.600) 12.013 4.352 ( 8.389 8.812 -8.315) 14.737 4.406 ( -12.237 -4.686 4.640) 13.900 4.441 ( -2.704 -5.407 2.677) 6.611 4.627 ( -1.594 5.717 5.482) 8.079 4.725 ( -2.694 5.275 -0.505) 5.944 4.894 ( -2.977 1.458 23.438) 23.671 5.196 ( -6.714 -3.070 2.858) 7.917 5.307 ( -0.801 -0.894 -3.296) 3.508 5.394 ( -5.916 -5.361 -8.872) 11.936 5.576 ( -0.669 3.115 -4.689) 5.669 5.602 ( -8.408 2.613 -6.469) 10.926 5.707 ( -2.103 -2.930 3.128) 4.774 5.803 ( -2.784 2.057 -3.614) 5.004 6.093 ( 9.465 -4.765 1.727) 10.736 6.119 ( 10.658 -7.356 0.646) 12.967 6.238 ( 4.098 1.468 2.336) 4.940 6.318 ( 4.650 -2.674 -2.164) 5.784 6.345 ( 2.959 -7.342 3.456) 8.637 6.445 ( 0.907 -4.581 -5.855) 7.490 6.552 ( 8.948 0.229 4.758) 10.137 6.667 ( 4.255 5.026 -1.701) 6.801 6.838 ( 12.016 4.209 1.005) 12.771 6.907 ( 0.960 0.825 0.347) 1.312 7.003 ( -10.388 1.345 5.286) 11.733 7.111 ( -4.141 3.380 -0.562) 5.374 7.169 ( -4.484 1.634 -1.081) 4.893 7.204 ( -0.139 -1.198 -2.320) 2.615 7.311 ( -8.288 2.814 4.787) 9.976 7.402 ( -7.213 6.117 -0.881) 9.499 7.797 ( 4.832 -2.531 2.765) 6.115 7.895 ( 7.664 -3.293 -5.339) 9.903 8.112 ( -3.432 0.719 2.399) 4.249 8.175 ( 0.654 0.660 -2.863) 3.010 8.499 ( 3.339 13.494 0.812) 13.925 8.510 ( 8.282 14.038 0.168) 16.300 9.248 ( -23.210 -4.034 1.608) 23.613 9.271 ( -19.924 -5.423 -0.401) 20.653 9.874 ( -6.027 6.392 0.317) 8.791 9.917 ( -1.412 3.946 -2.984) 5.145 9.981 ( -4.139 1.949 0.666) 4.623 10.034 ( -2.026 1.963 -2.954) 4.084 10.527 ( 2.867 8.007 3.201) 9.087 10.583 ( 1.571 5.337 -1.378) 5.731 10.697 ( -3.492 5.065 0.506) 6.173 10.724 ( -5.021 4.009 -1.386) 6.573 11.509 ( 12.760 -0.769 1.038) 12.825 11.528 ( 12.258 -0.202 -0.613) 12.275 11.821 ( -2.122 0.980 1.627) 2.848 11.858 ( -3.533 0.889 -1.514) 3.945 12.624 ( 17.547 -2.672 1.365) 17.801 12.671 ( 19.114 -0.539 -2.666) 19.307 13.117 ( -8.187 -6.865 4.430) 11.567 13.205 ( -7.689 -8.909 -3.261) 12.212 13.462 ( 4.364 -9.454 1.391) 10.506 13.493 ( 2.724 -8.891 -1.266) 9.385 13.853 ( -14.232 -6.281 2.197) 15.711 13.903 ( -15.514 -4.592 -1.976) 16.300 14.416 ( 3.073 -11.779 1.554) 12.272 14.479 ( 4.599 -11.541 -3.490) 12.904 14.521 ( -1.869 -13.233 4.521) 14.108 14.599 ( -1.121 -15.680 -2.282) 15.885 15.729 ( 12.403 15.139 2.518) 19.732 15.795 ( 11.211 15.456 -3.058) 19.338 16.362 ( -20.537 10.175 1.263) 22.954 16.389 ( -18.939 10.571 -1.015) 21.713 20.326 ( 26.265 -14.249 4.861) 30.274 20.426 ( 24.460 -15.205 -3.607) 29.026 21.227 ( -17.292 -15.107 1.004) 22.984 21.256 ( -19.013 -14.187 -1.406) 23.764 22.243 ( 1.051 18.904 1.377) 18.983 22.265 ( 0.472 18.454 0.977) 18.486 22.284 ( 0.702 19.845 -0.042) 19.857 22.324 ( -0.981 18.791 -2.061) 18.929 28.569 ( 0.759 6.939 0.428) 6.993 28.583 ( 1.140 7.594 -0.717) 7.713 28.620 ( -1.882 10.042 2.175) 10.445 28.670 ( -3.576 12.655 -2.052) 13.310 28.961 ( 12.408 5.748 2.159) 13.844 29.028 ( 12.738 7.045 -3.495) 14.970 29.481 ( -13.104 4.387 3.488) 14.253 29.564 ( -12.738 5.285 -3.432) 14.212 30.132 ( 7.632 0.253 5.028) 9.143 30.258 ( 10.894 -0.248 -5.186) 12.068 30.462 ( -6.386 -1.488 12.413) 14.039 30.726 ( -11.579 -2.349 -9.932) 15.435 31.689 ( 7.522 -7.744 3.605) 11.382 31.819 ( 6.744 -9.320 2.353) 11.742 31.837 ( 7.543 -8.611 -0.556) 11.461 32.139 ( -1.422 -11.984 -18.249) 21.879 33.721 ( 13.862 -0.756 9.598) 16.878 33.927 ( 18.602 -2.395 -7.895) 20.349 34.385 ( -20.877 -6.887 24.783) 33.128 34.838 ( -28.352 -9.578 -15.141) 33.538 ======================= Grid point 112 (40/60) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -3.241 10.494 26.584) 28.763 1.608 ( 3.241 10.494 26.584) 28.763 2.017 ( -21.426 -2.761 -9.226) 23.490 2.017 ( 21.425 -2.761 -9.226) 23.490 2.482 ( -19.691 -2.007 10.122) 22.231 2.482 ( 19.691 -2.007 10.122) 22.231 2.870 ( -11.867 11.862 -20.183) 26.247 2.870 ( 11.867 11.862 -20.183) 26.247 3.152 ( -13.601 18.744 -0.892) 23.176 3.152 ( 13.601 18.744 -0.892) 23.176 3.285 ( -20.042 8.906 -12.306) 25.148 3.285 ( 20.042 8.906 -12.306) 25.148 3.902 ( -15.249 -4.461 8.064) 17.818 3.902 ( 15.249 -4.461 8.064) 17.818 4.059 ( -17.122 -3.489 -5.106) 18.205 4.059 ( 17.122 -3.489 -5.106) 18.205 4.570 ( -13.510 10.197 11.910) 20.696 4.570 ( 13.510 10.197 11.910) 20.696 4.622 ( -5.834 3.376 2.718) 7.268 4.622 ( 5.834 3.377 2.718) 7.268 5.002 ( -11.016 -2.056 7.607) 13.544 5.002 ( 11.016 -2.056 7.607) 13.544 5.294 ( -2.117 -2.360 -11.900) 12.315 5.294 ( 2.117 -2.360 -11.900) 12.315 5.584 ( -4.530 3.108 0.831) 5.556 5.584 ( 4.530 3.108 0.831) 5.556 5.679 ( -6.758 5.352 -5.485) 10.217 5.679 ( 6.758 5.352 -5.485) 10.217 6.218 ( -1.540 -9.848 3.542) 10.578 6.218 ( 1.540 -9.848 3.542) 10.578 6.293 ( -4.863 -7.741 -3.104) 9.655 6.293 ( 4.863 -7.741 -3.104) 9.655 6.537 ( -10.525 0.247 4.575) 11.479 6.537 ( 10.525 0.247 4.575) 11.479 6.609 ( -11.533 0.696 -2.032) 11.732 6.609 ( 11.533 0.696 -2.032) 11.732 6.879 ( -5.315 2.813 6.931) 9.176 6.879 ( 5.315 2.813 6.931) 9.176 6.995 ( -7.845 3.816 -1.945) 8.938 6.995 ( 7.845 3.816 -1.945) 8.938 7.162 ( -2.282 -0.095 2.887) 3.681 7.162 ( 2.282 -0.095 2.887) 3.681 7.287 ( -8.272 3.914 -6.783) 11.390 7.287 ( 8.272 3.914 -6.783) 11.390 7.965 ( -9.866 0.624 4.768) 10.975 7.965 ( 9.866 0.624 4.768) 10.975 8.077 ( -8.744 -0.172 -4.793) 9.973 8.077 ( 8.744 -0.172 -4.793) 9.973 8.767 ( -22.620 6.053 3.320) 23.651 8.767 ( 22.620 6.053 3.320) 23.651 8.839 ( -22.665 6.525 -2.759) 23.746 8.839 ( 22.665 6.525 -2.759) 23.746 9.873 ( -3.818 1.269 3.499) 5.332 9.873 ( 3.818 1.269 3.499) 5.332 9.975 ( -3.410 2.156 -5.365) 6.713 9.975 ( 3.410 2.156 -5.365) 6.713 10.597 ( -2.924 4.725 2.605) 6.136 10.597 ( 2.924 4.725 2.605) 6.136 10.648 ( -1.432 6.361 -1.914) 6.795 10.648 ( 1.432 6.361 -1.914) 6.795 11.717 ( -8.297 -0.065 0.870) 8.343 11.717 ( 8.297 -0.065 0.870) 8.343 11.736 ( -8.787 0.192 -0.715) 8.818 11.736 ( 8.787 0.192 -0.715) 8.818 12.917 ( -12.374 -4.948 3.513) 13.782 12.917 ( 12.374 -4.948 3.513) 13.782 13.001 ( -13.662 -5.123 -3.564) 15.020 13.001 ( 13.662 -5.123 -3.564) 15.020 13.607 ( -10.311 -7.845 0.968) 12.992 13.607 ( 10.311 -7.845 0.968) 12.992 13.629 ( -11.323 -7.039 -0.923) 13.365 13.629 ( 11.323 -7.039 -0.923) 13.365 14.476 ( -2.829 -12.356 3.677) 13.199 14.476 ( 2.829 -12.356 3.677) 13.199 14.557 ( -3.202 -13.219 -3.208) 13.974 14.557 ( 3.202 -13.219 -3.208) 13.974 16.006 ( -16.175 11.414 2.036) 19.901 16.006 ( 16.175 11.414 2.036) 19.901 16.055 ( -15.389 11.611 -2.092) 19.391 16.055 ( 15.389 11.611 -2.092) 19.391 20.817 ( -23.869 -14.494 2.336) 28.022 20.817 ( 23.869 -14.494 2.336) 28.022 20.869 ( -21.103 -15.490 -2.072) 26.260 20.869 ( 21.103 -15.490 -2.072) 26.260 22.261 ( -0.681 19.633 1.900) 19.737 22.261 ( 0.681 19.633 1.900) 19.737 22.304 ( -1.124 20.547 -1.708) 20.649 22.304 ( 1.124 20.547 -1.708) 20.649 28.588 ( -1.282 7.983 1.111) 8.161 28.588 ( 1.282 7.983 1.111) 8.161 28.615 ( -2.145 9.305 -1.159) 9.619 28.615 ( 2.145 9.305 -1.159) 9.619 29.217 ( -13.667 5.099 2.754) 14.845 29.217 ( 13.667 5.099 2.754) 14.845 29.293 ( -14.236 6.075 -3.745) 15.925 29.293 ( 14.236 6.075 -3.745) 15.925 30.305 ( -9.158 -0.367 8.595) 12.565 30.305 ( 9.158 -0.367 8.595) 12.565 30.489 ( -12.413 -1.076 -7.000) 14.291 30.489 ( 12.413 -1.076 -7.000) 14.291 31.806 ( -3.946 -9.211 7.494) 12.513 31.806 ( 3.946 -9.211 7.494) 12.513 32.036 ( -8.507 -10.895 -12.548) 18.669 32.036 ( 8.507 -10.895 -12.548) 18.669 34.020 ( -16.945 -3.144 15.685) 23.303 34.020 ( 16.945 -3.144 15.685) 23.303 34.334 ( -23.415 -5.274 -11.442) 26.589 34.334 ( 23.415 -5.274 -11.442) 26.589 ======================= Grid point 117 (41/60) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 19.902 27.858) 34.237 1.673 ( 0.000 16.524 8.917) 18.776 1.861 ( 0.000 23.181 -6.128) 23.977 2.000 ( 0.000 9.013 -5.804) 10.720 2.244 ( 0.000 21.381 -0.644) 21.390 2.283 ( 0.000 20.344 -3.521) 20.647 2.570 ( 0.000 24.164 15.790) 28.866 2.751 ( 0.000 8.983 3.156) 9.521 2.946 ( 0.000 13.287 -8.617) 15.837 3.093 ( 0.000 -2.403 17.755) 17.917 3.418 ( 0.000 18.928 -35.788) 40.485 3.507 ( 0.000 2.070 -15.713) 15.849 4.297 ( 0.000 23.697 14.202) 27.627 4.472 ( 0.000 -1.234 4.152) 4.331 4.642 ( 0.000 12.351 -9.467) 15.561 4.662 ( 0.000 -9.145 0.776) 9.178 4.692 ( 0.000 -6.418 -9.417) 11.396 4.752 ( 0.000 2.538 -3.129) 4.029 4.845 ( 0.000 8.875 0.714) 8.903 4.891 ( 0.000 1.768 -3.277) 3.723 4.929 ( 0.000 -0.750 10.289) 10.316 5.099 ( 0.000 0.547 2.101) 2.171 5.190 ( 0.000 5.720 2.920) 6.423 5.205 ( 0.000 -8.910 -2.730) 9.319 5.258 ( 0.000 6.491 -2.819) 7.077 5.285 ( 0.000 -10.839 -14.316) 17.957 5.667 ( 0.000 -10.490 5.657) 11.918 5.704 ( 0.000 -3.948 17.544) 17.983 5.747 ( 0.000 -5.579 -1.106) 5.688 5.934 ( 0.000 -5.186 5.732) 7.730 6.142 ( 0.000 -12.725 6.471) 14.276 6.167 ( 0.000 -6.390 6.314) 8.983 6.246 ( 0.000 6.635 -3.678) 7.587 6.326 ( 0.000 3.115 -15.400) 15.712 6.371 ( 0.000 -4.043 -2.636) 4.826 6.432 ( 0.000 -3.163 -5.714) 6.531 6.744 ( 0.000 9.221 9.425) 13.186 6.810 ( 0.000 7.536 2.219) 7.856 7.124 ( 0.000 6.503 4.160) 7.720 7.177 ( 0.000 3.010 -0.002) 3.010 7.229 ( 0.000 10.637 0.092) 10.638 7.285 ( 0.000 12.343 -4.182) 13.032 7.746 ( 0.000 -9.805 4.122) 10.636 7.795 ( 0.000 -7.736 -0.308) 7.742 7.836 ( 0.000 1.008 2.615) 2.802 7.908 ( 0.000 2.438 -4.026) 4.707 8.213 ( 0.000 7.368 1.588) 7.537 8.249 ( 0.000 10.046 -2.852) 10.443 8.803 ( 0.000 10.035 4.961) 11.195 8.952 ( 0.000 9.230 -7.883) 12.138 9.555 ( 0.000 -14.711 4.847) 15.489 9.635 ( 0.000 -15.370 -2.289) 15.540 10.121 ( 0.000 0.159 4.500) 4.503 10.221 ( 0.000 8.819 3.348) 9.433 10.298 ( 0.000 -2.490 -10.835) 11.118 10.301 ( 0.000 11.082 -3.378) 11.586 10.633 ( 0.000 1.728 3.083) 3.535 10.673 ( 0.000 2.627 -0.386) 2.655 10.951 ( 0.000 1.100 4.032) 4.180 11.066 ( 0.000 3.218 -5.939) 6.755 11.373 ( 0.000 6.479 2.172) 6.833 11.430 ( 0.000 3.835 -2.579) 4.621 11.440 ( 0.000 14.347 3.507) 14.769 11.507 ( 0.000 15.813 -2.401) 15.995 11.868 ( 0.000 14.484 4.834) 15.270 11.975 ( 0.000 15.534 -4.255) 16.106 13.173 ( 0.000 -11.474 -0.398) 11.480 13.191 ( 0.000 -12.458 -2.459) 12.698 13.471 ( 0.000 -14.550 8.903) 17.058 13.674 ( 0.000 -17.714 -9.738) 20.214 13.824 ( 0.000 -29.111 1.116) 29.132 13.853 ( 0.000 -26.885 -1.527) 26.929 13.923 ( 0.000 -21.365 1.814) 21.442 13.959 ( 0.000 -19.594 -1.369) 19.642 14.350 ( 0.000 -14.303 8.260) 16.517 14.486 ( 0.000 -13.484 -4.063) 14.083 16.072 ( 0.000 35.190 7.254) 35.930 16.295 ( 0.000 29.200 -12.512) 31.768 18.030 ( 0.000 29.708 11.154) 31.733 18.201 ( 0.000 31.235 -4.359) 31.538 18.586 ( 0.000 -21.993 1.342) 22.034 18.617 ( 0.000 -22.081 -1.290) 22.119 21.536 ( 0.000 -8.817 0.594) 8.837 21.550 ( 0.000 -8.487 -0.633) 8.511 22.242 ( 0.000 2.148 6.168) 6.531 22.454 ( 0.000 3.776 -12.362) 12.926 22.535 ( 0.000 16.689 2.395) 16.860 22.591 ( 0.000 17.517 -2.370) 17.676 28.682 ( 0.000 12.108 2.763) 12.420 28.745 ( 0.000 10.275 1.166) 10.341 28.750 ( 0.000 12.504 -3.031) 12.866 28.777 ( 0.000 11.088 -1.608) 11.204 29.445 ( 0.000 22.475 14.102) 26.532 29.672 ( 0.000 6.909 2.847) 7.473 29.745 ( 0.000 5.478 -3.662) 6.590 29.850 ( 0.000 11.319 -20.364) 23.298 29.884 ( 0.000 -1.768 2.213) 2.833 29.921 ( 0.000 -3.462 -1.117) 3.638 30.670 ( 0.000 -9.227 5.131) 10.558 30.864 ( 0.000 -7.159 -12.974) 14.818 31.169 ( 0.000 -1.158 1.905) 2.229 31.215 ( 0.000 -3.139 -1.963) 3.702 31.497 ( 0.000 -1.534 1.096) 1.885 31.576 ( 0.000 -1.548 -7.436) 7.595 33.330 ( 0.000 5.507 1.378) 5.677 33.362 ( 0.000 3.643 -1.324) 3.876 34.914 ( 0.000 -30.272 39.377) 49.669 35.533 ( 0.000 -34.709 -17.649) 38.938 ======================= Grid point 118 (42/60) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 9.253 14.291 23.336) 28.886 1.803 ( 10.476 18.383 16.181) 26.636 1.878 ( -2.839 25.737 12.548) 28.774 2.052 ( 8.198 15.479 -2.007) 17.631 2.137 ( 0.816 19.806 -11.962) 23.153 2.322 ( 4.305 11.412 -6.334) 13.744 2.700 ( -5.992 1.289 -5.225) 8.054 2.879 ( 6.454 1.985 -15.676) 17.069 2.978 ( 19.937 27.221 12.779) 36.080 3.243 ( 3.302 9.590 2.163) 10.371 3.511 ( 8.772 1.033 -15.901) 18.189 3.610 ( 5.814 14.825 -11.709) 19.766 3.875 ( -18.676 15.116 13.927) 27.771 4.206 ( -25.385 7.793 -6.342) 27.301 4.249 ( -12.104 4.704 -2.569) 13.238 4.352 ( -21.792 -4.439 -1.617) 22.298 4.775 ( -1.611 2.034 2.203) 3.403 4.836 ( -2.916 7.093 4.141) 8.715 4.918 ( -0.491 -0.548 -5.197) 5.249 4.986 ( 1.126 2.538 -1.065) 2.974 5.021 ( -2.617 -4.918 4.678) 7.275 5.080 ( 0.607 -4.176 -2.022) 4.679 5.188 ( 14.480 -5.098 -1.107) 15.391 5.345 ( 6.597 -10.017 -11.740) 16.784 5.451 ( 8.414 0.727 0.580) 8.465 5.466 ( 16.385 7.364 0.237) 17.965 5.671 ( 0.802 -3.570 6.880) 7.793 5.734 ( 0.444 -2.801 -0.070) 2.837 5.810 ( 7.055 -4.398 12.492) 15.005 5.872 ( -1.847 -2.915 8.520) 9.193 6.136 ( -0.602 -2.362 0.221) 2.448 6.167 ( -0.663 -5.529 4.259) 7.011 6.269 ( -3.887 -1.558 -10.688) 11.479 6.334 ( 5.038 1.497 6.902) 8.676 6.377 ( 2.558 -2.241 -12.673) 13.121 6.481 ( 1.970 3.561 -4.938) 6.399 6.666 ( -2.383 9.782 9.196) 13.636 6.831 ( 4.800 6.681 -4.389) 9.324 7.038 ( -3.498 3.272 3.535) 5.953 7.084 ( -3.945 4.108 0.697) 5.738 7.362 ( 4.602 6.941 3.010) 8.855 7.430 ( 7.901 7.604 -2.996) 11.367 7.630 ( -9.443 -4.678 6.111) 12.183 7.761 ( -4.336 -3.707 -4.662) 7.367 7.819 ( -1.893 -0.282 2.116) 2.853 7.862 ( -3.552 1.992 -2.738) 4.907 8.178 ( -2.711 6.950 3.374) 8.187 8.241 ( -0.168 8.515 -2.828) 8.974 8.791 ( -1.335 10.976 5.723) 12.450 8.938 ( -2.013 10.449 -6.723) 12.587 9.460 ( -8.760 -13.479 3.735) 16.504 9.542 ( -8.320 -13.783 -3.060) 16.388 10.138 ( -0.384 1.684 1.898) 2.566 10.147 ( -2.805 4.846 1.216) 5.729 10.237 ( -4.045 8.091 0.860) 9.087 10.347 ( 0.680 1.482 -8.931) 9.079 10.683 ( 2.275 2.984 3.106) 4.871 10.741 ( 5.027 3.930 -2.119) 6.724 11.005 ( 5.440 0.582 2.903) 6.194 11.065 ( -2.898 7.690 -2.752) 8.667 11.182 ( -8.884 11.605 0.570) 14.626 11.193 ( -9.334 10.593 -0.072) 14.119 11.644 ( 10.818 3.943 2.536) 11.790 11.702 ( 10.702 4.106 -2.360) 11.703 12.027 ( 13.573 12.850 3.128) 18.951 12.105 ( 12.117 14.580 -3.429) 19.265 13.140 ( -3.234 -11.104 -0.561) 11.579 13.150 ( -3.727 -12.864 -1.881) 13.525 13.375 ( -8.251 -14.459 7.226) 18.148 13.526 ( -11.461 -16.549 -6.178) 21.057 13.868 ( 1.518 -25.826 -0.475) 25.875 13.880 ( 2.973 -27.931 -1.651) 28.137 13.948 ( 1.882 -22.951 1.916) 23.108 13.990 ( 1.833 -20.306 -1.557) 20.448 14.293 ( -5.293 -14.231 7.900) 17.116 14.424 ( -6.029 -13.088 -3.974) 14.948 16.054 ( -1.276 33.156 5.878) 33.698 16.223 ( -5.548 29.259 -8.833) 31.062 17.619 ( -28.243 18.885 4.547) 34.278 17.689 ( -32.305 16.667 -1.763) 36.393 19.002 ( 28.180 -10.173 5.027) 30.378 19.095 ( 30.775 -7.739 -2.895) 31.865 21.474 ( -6.487 -8.571 2.413) 11.017 21.540 ( -3.167 -8.786 -3.091) 9.837 22.311 ( 6.493 3.203 4.426) 8.486 22.459 ( 1.500 4.652 -8.503) 9.807 22.561 ( 2.330 16.567 2.235) 16.879 22.613 ( 1.878 17.144 -2.090) 17.372 28.716 ( 2.015 10.968 1.166) 11.212 28.753 ( 0.145 11.126 -1.662) 11.251 28.768 ( 3.363 11.082 2.013) 11.755 28.819 ( 4.687 12.035 -1.707) 13.028 29.281 ( -11.191 19.679 6.912) 23.670 29.464 ( -18.112 14.925 -8.449) 24.943 29.747 ( 5.138 7.341 4.765) 10.149 29.829 ( 1.909 6.012 -1.251) 6.431 30.027 ( 5.024 -2.538 -1.203) 5.756 30.038 ( 4.517 -2.423 -1.943) 5.482 30.568 ( -7.476 -4.866 8.668) 12.438 30.854 ( -0.685 -7.192 -16.265) 17.797 31.260 ( 6.857 -6.229 1.709) 9.420 31.292 ( 5.831 -6.370 -1.189) 8.718 31.516 ( 1.339 -3.986 2.346) 4.815 31.649 ( 7.609 -5.443 -11.798) 15.057 33.381 ( 5.055 4.733 2.004) 7.209 33.428 ( 6.586 2.671 -1.954) 7.371 34.790 ( -11.591 -24.916 35.859) 45.178 35.381 ( -14.731 -30.500 -17.642) 38.190 ======================= Grid point 119 (43/60) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -1.992 19.154 21.164) 28.613 1.952 ( 10.935 9.458 20.741) 25.283 2.122 ( 22.718 12.836 11.657) 28.579 2.221 ( 1.087 25.098 0.187) 25.122 2.253 ( 11.275 8.225 -2.154) 14.122 2.427 ( -2.298 15.165 -0.268) 15.340 2.632 ( 8.352 6.476 -23.093) 25.397 2.924 ( -0.623 -2.886 -25.116) 25.289 3.031 ( -8.091 8.497 7.247) 13.791 3.224 ( -7.909 -0.496 -8.517) 11.633 3.367 ( -17.291 2.454 6.636) 18.682 3.619 ( -13.376 -1.008 -11.455) 17.639 3.906 ( 15.276 -2.975 6.998) 17.064 4.061 ( 13.838 9.740 -2.588) 17.119 4.170 ( 12.966 26.349 5.890) 29.951 4.294 ( 11.735 20.048 -6.820) 24.210 4.587 ( -17.671 2.351 0.278) 17.829 4.657 ( -13.959 3.859 -2.238) 14.654 4.858 ( -3.104 0.329 6.056) 6.813 4.894 ( -5.863 -0.735 3.761) 7.004 5.056 ( -0.928 3.462 6.186) 7.149 5.147 ( 5.686 -0.087 -4.433) 7.210 5.348 ( -1.836 -5.610 0.641) 5.938 5.426 ( 1.317 -1.529 -5.594) 5.947 5.503 ( 1.105 -3.972 3.314) 5.290 5.615 ( 0.852 -2.033 -0.412) 2.242 5.681 ( 1.875 -6.218 0.238) 6.499 5.727 ( 1.432 -2.472 2.169) 3.587 5.870 ( -0.329 -3.304 1.916) 3.834 5.954 ( -1.039 1.926 -5.319) 5.752 6.156 ( 2.870 -2.225 2.282) 4.289 6.249 ( 3.420 -6.362 -2.266) 7.570 6.275 ( 7.209 4.503 4.340) 9.544 6.333 ( 5.193 3.271 5.694) 8.372 6.430 ( -4.432 3.801 -3.882) 7.011 6.555 ( 13.860 2.060 -10.934) 17.773 6.760 ( 6.147 -0.248 7.433) 9.649 6.857 ( -3.759 -0.391 -0.672) 3.838 7.061 ( 4.516 2.014 2.489) 5.536 7.132 ( 8.494 8.718 -3.510) 12.668 7.342 ( -8.327 4.418 3.642) 10.106 7.422 ( -8.563 4.754 -2.180) 10.034 7.464 ( -4.534 -0.238 9.561) 10.584 7.663 ( -4.396 2.201 -4.323) 6.547 7.799 ( -2.004 4.353 -0.484) 4.817 7.818 ( 2.654 6.133 -2.644) 7.187 8.162 ( 1.490 4.974 2.484) 5.756 8.235 ( -1.102 5.437 -3.617) 6.623 8.762 ( -1.051 12.916 5.279) 13.992 8.858 ( -6.016 12.381 -2.936) 14.075 9.272 ( -9.113 -11.978 3.195) 15.386 9.364 ( -9.140 -10.865 -4.364) 14.854 10.079 ( -4.114 3.272 1.669) 5.515 10.121 ( -1.323 3.788 -1.651) 4.339 10.164 ( -5.296 6.026 3.345) 8.692 10.281 ( -7.602 6.527 -6.509) 11.948 10.693 ( -0.077 6.337 2.182) 6.702 10.764 ( -2.576 8.905 -3.923) 10.066 10.923 ( -5.861 10.340 2.487) 12.143 10.961 ( -7.084 12.976 -1.117) 14.826 11.220 ( 12.685 -1.142 4.052) 13.366 11.296 ( 11.020 1.774 -2.474) 11.433 11.813 ( 5.488 0.575 2.155) 5.924 11.862 ( 4.898 0.260 -2.002) 5.298 12.318 ( 15.163 7.783 2.530) 17.230 12.385 ( 15.242 8.963 -3.102) 17.952 13.057 ( -4.984 -10.419 0.220) 11.552 13.075 ( -3.673 -12.978 -1.495) 13.571 13.222 ( -5.609 -14.637 4.447) 16.294 13.315 ( -8.540 -14.934 -3.812) 17.620 13.857 ( -4.556 -19.119 3.162) 19.907 13.923 ( -0.585 -24.596 -2.592) 24.739 13.977 ( -2.523 -20.052 0.019) 20.210 13.989 ( 2.961 -27.336 -1.362) 27.530 14.197 ( -3.086 -18.393 4.896) 19.282 14.280 ( -7.522 -14.456 -2.558) 16.496 16.055 ( 2.061 28.333 3.706) 28.649 16.152 ( -0.774 26.684 -4.560) 27.082 17.098 ( -25.140 16.288 0.780) 29.965 17.109 ( -26.166 16.372 -0.144) 30.867 19.553 ( 28.035 -7.623 5.406) 29.551 19.664 ( 27.538 -7.633 -3.972) 28.851 21.284 ( -12.929 -8.461 3.286) 15.797 21.372 ( -13.973 -8.196 -4.155) 16.724 22.454 ( 7.246 6.779 2.370) 10.202 22.526 ( 4.820 7.139 -3.819) 9.422 22.609 ( 2.288 16.213 2.108) 16.508 22.653 ( 2.043 16.973 -1.476) 17.159 28.737 ( 0.819 10.529 0.176) 10.562 28.756 ( 0.571 10.830 -1.397) 10.934 28.887 ( 6.066 11.860 3.978) 13.903 28.934 ( 6.247 11.147 0.483) 12.787 29.121 ( -2.727 16.821 -0.869) 17.063 29.167 ( -11.974 17.441 -4.402) 21.609 29.794 ( -6.225 5.680 3.611) 9.168 29.834 ( 0.510 7.194 1.280) 7.324 30.062 ( 0.946 -0.415 -1.709) 1.997 30.098 ( 4.109 -0.334 -3.615) 5.483 30.476 ( -2.142 -3.625 14.588) 15.183 30.803 ( -5.273 -6.959 -13.216) 15.840 31.379 ( 5.335 -9.844 0.802) 11.225 31.423 ( 7.798 -9.556 -3.370) 12.786 31.556 ( 2.589 -8.971 7.033) 11.690 31.793 ( 5.272 -13.997 -15.105) 21.257 33.516 ( 8.569 2.586 3.914) 9.770 33.606 ( 11.444 0.201 -3.666) 12.018 34.516 ( -15.529 -15.886 27.673) 35.487 35.015 ( -21.515 -21.887 -16.349) 34.773 ======================= Grid point 120 (44/60) ======================= q-point: ( 0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 1.185 16.857 16.100) 23.340 2.048 ( -4.782 14.077 -7.535) 16.668 2.106 ( -9.007 18.613 10.567) 23.222 2.176 ( -2.651 7.232 30.545) 31.501 2.349 ( -11.157 -3.145 -5.721) 12.926 2.713 ( 31.045 -1.711 8.580) 32.255 2.785 ( -15.715 -6.416 0.952) 17.001 2.873 ( 10.441 5.479 -5.749) 13.118 3.036 ( 0.678 -1.667 -35.127) 35.173 3.139 ( 10.343 0.082 -21.488) 23.848 3.260 ( 12.588 12.069 9.052) 19.649 3.515 ( 5.460 5.700 -11.525) 13.969 4.126 ( -16.767 0.434 2.381) 16.941 4.180 ( -5.378 -1.266 -0.881) 5.595 4.256 ( -5.747 15.107 4.248) 16.711 4.383 ( 4.070 7.006 -3.907) 8.995 4.503 ( 6.425 23.356 4.908) 24.716 4.580 ( 8.958 16.037 -0.118) 18.370 4.780 ( -1.013 3.449 4.715) 5.929 4.829 ( 1.746 8.973 6.359) 11.136 4.962 ( -4.882 5.504 19.578) 20.915 5.134 ( -8.752 -4.526 1.451) 9.959 5.335 ( 3.386 5.594 -2.526) 7.010 5.391 ( -0.755 4.079 -6.775) 7.944 5.597 ( 4.474 -2.880 -5.659) 7.767 5.612 ( -4.264 -4.027 1.484) 6.050 5.637 ( -1.972 -0.871 -8.888) 9.145 5.762 ( -1.839 -6.831 -6.182) 9.395 5.913 ( 5.624 -8.744 1.435) 10.496 5.925 ( 5.328 -6.260 1.279) 8.320 6.196 ( -5.355 -3.592 4.256) 7.726 6.245 ( -1.996 -4.376 0.484) 4.834 6.354 ( 4.146 2.799 0.324) 5.013 6.387 ( 7.991 0.046 -1.719) 8.174 6.597 ( 11.884 3.853 7.336) 14.488 6.802 ( 3.227 6.298 -6.253) 9.444 6.814 ( 1.025 -7.099 4.790) 8.625 6.875 ( 4.366 -1.810 -3.665) 5.981 7.039 ( -6.331 2.701 6.945) 9.778 7.167 ( -3.962 1.134 -0.553) 4.158 7.189 ( -4.971 1.091 -0.634) 5.129 7.231 ( -3.405 5.160 -6.719) 9.130 7.444 ( -4.864 7.980 8.404) 12.569 7.570 ( -3.446 9.393 -1.224) 10.079 7.830 ( 5.794 7.468 3.542) 10.094 7.942 ( 9.193 8.615 -6.242) 14.060 8.163 ( -3.876 3.797 0.830) 5.488 8.220 ( -0.227 3.625 -3.418) 4.987 8.753 ( -1.393 10.468 1.825) 10.717 8.789 ( 5.116 12.457 -1.021) 13.505 9.133 ( -6.302 -5.344 2.396) 8.603 9.175 ( -11.459 -4.368 -1.074) 12.310 9.984 ( -5.030 2.890 4.135) 7.124 10.019 ( -7.601 7.772 2.245) 11.101 10.087 ( -3.101 5.622 -4.979) 8.125 10.120 ( -5.923 7.983 -5.752) 11.484 10.706 ( 1.424 7.586 2.595) 8.143 10.733 ( 0.206 10.948 1.145) 11.009 10.844 ( -3.040 7.876 -0.421) 8.452 10.863 ( -3.584 10.841 -1.624) 11.533 11.483 ( 13.271 -1.658 2.134) 13.544 11.525 ( 11.814 0.069 -1.466) 11.905 11.835 ( -3.100 0.270 1.646) 3.520 11.873 ( -3.726 0.399 -1.512) 4.041 12.583 ( 11.788 -1.490 2.653) 12.175 12.654 ( 11.774 -1.767 -3.322) 12.361 12.939 ( -7.311 -10.024 1.889) 12.550 12.983 ( -6.244 -12.199 -1.789) 13.820 13.238 ( 7.793 -11.200 0.741) 13.665 13.258 ( 3.513 -12.562 -1.013) 13.083 13.675 ( -12.613 -11.493 3.824) 17.487 13.756 ( -13.316 -10.543 -3.090) 17.263 14.008 ( 3.307 -27.326 1.728) 27.579 14.062 ( 4.057 -28.582 -2.765) 29.000 14.148 ( -3.444 -22.004 2.260) 22.386 14.183 ( -2.351 -22.815 -0.730) 22.947 16.144 ( 7.174 23.387 2.347) 24.575 16.203 ( 5.999 22.589 -2.612) 23.518 16.651 ( -19.678 16.841 1.517) 25.945 16.685 ( -18.571 17.053 -1.303) 25.246 20.084 ( 26.494 -7.615 3.736) 27.819 20.167 ( 24.352 -8.369 -3.264) 25.956 20.981 ( -18.020 -8.674 1.868) 20.086 21.029 ( -20.459 -8.052 -2.151) 22.091 22.569 ( 4.419 11.227 1.935) 12.219 22.616 ( 3.648 12.262 -1.421) 12.872 22.641 ( 1.088 14.608 1.279) 14.704 22.684 ( 0.811 16.296 -1.652) 16.399 28.759 ( 1.553 11.044 0.699) 11.175 28.784 ( 2.431 11.484 -1.404) 11.822 28.873 ( -4.065 13.443 4.067) 14.621 28.966 ( -6.886 14.575 -3.901) 16.585 29.131 ( 10.803 10.705 3.664) 15.643 29.230 ( 10.705 12.244 -4.842) 16.969 29.603 ( -11.793 7.121 4.307) 14.433 29.709 ( -11.476 8.391 -4.754) 14.991 30.143 ( 7.370 0.863 4.781) 8.827 30.252 ( 9.926 -0.222 -4.194) 10.778 30.419 ( -4.604 -2.690 11.475) 12.653 30.656 ( -9.341 -4.451 -8.723) 13.534 31.477 ( 4.893 -12.354 3.016) 13.626 31.577 ( 4.048 -13.394 2.479) 14.210 31.601 ( 4.982 -13.666 -0.672) 14.561 31.827 ( -1.610 -17.225 -13.030) 21.658 33.707 ( 10.965 -0.439 7.213) 13.132 33.866 ( 15.172 -3.286 -6.244) 16.733 34.215 ( -15.013 -9.031 19.047) 25.880 34.589 ( -21.568 -13.914 -13.257) 28.888 ======================= Grid point 121 (45/60) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -8.574 15.387 14.254) 22.659 1.887 ( 8.574 15.387 14.254) 22.659 2.026 ( -5.813 4.298 -1.100) 7.313 2.026 ( 5.813 4.298 -1.100) 7.313 2.421 ( -16.155 -2.154 16.157) 22.949 2.421 ( 16.155 -2.154 16.157) 22.949 3.023 ( -4.461 3.559 -31.699) 32.208 3.023 ( 4.461 3.559 -31.699) 32.208 3.296 ( -18.773 -5.562 2.860) 19.788 3.296 ( 18.773 -5.562 2.861) 19.788 3.446 ( -18.288 -0.177 -9.795) 20.747 3.446 ( 18.288 -0.177 -9.795) 20.747 4.014 ( -12.538 16.921 9.404) 23.064 4.014 ( 12.538 16.921 9.404) 23.064 4.198 ( -11.241 15.597 -6.874) 20.418 4.198 ( 11.241 15.597 -6.874) 20.418 4.658 ( -6.805 2.784 13.334) 15.227 4.658 ( 6.805 2.784 13.334) 15.227 4.823 ( -6.491 6.704 -2.726) 9.721 4.823 ( 6.491 6.704 -2.726) 9.721 5.004 ( -3.646 7.880 14.640) 17.021 5.004 ( 3.646 7.880 14.640) 17.021 5.352 ( -1.635 7.526 -11.575) 13.904 5.352 ( 1.635 7.526 -11.575) 13.904 5.601 ( -3.212 -2.688 -1.130) 4.338 5.601 ( 3.212 -2.688 -1.130) 4.338 5.690 ( -5.087 -5.276 -7.592) 10.552 5.690 ( 5.087 -5.276 -7.592) 10.552 6.035 ( -3.100 -5.866 5.456) 8.590 6.035 ( 3.100 -5.866 5.456) 8.590 6.118 ( -5.562 -6.928 -2.375) 9.196 6.118 ( 5.562 -6.928 -2.375) 9.196 6.551 ( -10.130 -0.539 4.537) 11.112 6.551 ( 10.130 -0.539 4.537) 11.112 6.623 ( -12.876 0.706 -2.505) 13.136 6.623 ( 12.876 0.706 -2.505) 13.136 6.908 ( -2.261 0.856 5.838) 6.319 6.908 ( 2.261 0.856 5.838) 6.319 7.021 ( -7.348 -0.547 -3.858) 8.318 7.021 ( 7.348 -0.548 -3.858) 8.318 7.221 ( -13.110 6.047 8.421) 16.714 7.221 ( 13.110 6.047 8.421) 16.714 7.435 ( -12.670 9.845 -9.536) 18.666 7.435 ( 12.670 9.845 -9.536) 18.666 8.007 ( -10.125 4.182 4.734) 11.934 8.007 ( 10.125 4.183 4.734) 11.934 8.131 ( -7.784 5.853 -5.718) 11.294 8.131 ( 7.784 5.853 -5.718) 11.294 8.895 ( -14.312 5.617 4.118) 15.916 8.895 ( 14.312 5.617 4.118) 15.916 8.974 ( -11.240 5.809 -2.595) 12.915 8.974 ( 11.240 5.809 -2.595) 12.915 9.931 ( -0.766 4.900 4.358) 6.602 9.931 ( 0.766 4.900 4.358) 6.602 10.057 ( -1.273 5.954 -6.499) 8.905 10.057 ( 1.273 5.954 -6.499) 8.905 10.737 ( -0.999 8.852 4.001) 9.766 10.737 ( 0.999 8.852 4.001) 9.766 10.815 ( -0.882 9.612 -2.741) 10.034 10.815 ( 0.882 9.612 -2.741) 10.034 11.709 ( -9.474 -0.797 1.287) 9.595 11.709 ( 9.474 -0.797 1.287) 9.595 11.737 ( -9.543 -0.077 -1.063) 9.603 11.737 ( 9.543 -0.077 -1.063) 9.603 12.781 ( -8.854 -8.347 2.445) 12.412 12.781 ( 8.854 -8.347 2.445) 12.412 12.843 ( -8.052 -10.229 -2.847) 13.325 12.843 ( 8.052 -10.229 -2.847) 13.325 13.423 ( -11.969 -9.411 2.170) 15.380 13.423 ( 11.969 -9.411 2.170) 15.380 13.472 ( -14.562 -7.669 -2.036) 16.583 13.472 ( 14.562 -7.669 -2.036) 16.583 14.077 ( -3.629 -25.620 2.659) 26.012 14.077 ( 3.629 -25.620 2.659) 26.012 14.134 ( -3.130 -26.938 -2.179) 27.207 14.134 ( 3.130 -26.938 -2.179) 27.207 16.337 ( -12.803 19.457 1.958) 23.374 16.337 ( 12.803 19.457 1.958) 23.374 16.383 ( -12.423 19.111 -1.944) 22.877 16.383 ( 12.423 19.111 -1.944) 22.877 20.575 ( -23.646 -8.164 1.640) 25.069 20.575 ( 23.646 -8.164 1.640) 25.069 20.614 ( -21.673 -8.561 -1.574) 23.356 20.614 ( 21.673 -8.561 -1.574) 23.356 22.627 ( -1.568 14.428 2.205) 14.679 22.627 ( 1.568 14.428 2.205) 14.679 22.678 ( -1.512 14.357 -2.081) 14.585 22.678 ( 1.512 14.357 -2.081) 14.585 28.802 ( -2.940 12.072 2.068) 12.596 28.802 ( 2.940 12.072 2.068) 12.596 28.852 ( -4.594 12.955 -2.230) 13.925 28.852 ( 4.595 12.955 -2.230) 13.925 29.364 ( -12.509 8.882 3.800) 15.805 29.364 ( 12.509 8.882 3.800) 15.805 29.465 ( -12.871 10.258 -4.933) 17.182 29.465 ( 12.871 10.258 -4.933) 17.182 30.295 ( -7.559 -0.575 7.914) 10.959 30.295 ( 7.559 -0.575 7.914) 10.959 30.458 ( -10.668 -1.956 -5.967) 12.379 30.458 ( 10.668 -1.956 -5.967) 12.379 31.558 ( -3.062 -14.136 6.303) 15.777 31.558 ( 3.062 -14.136 6.303) 15.777 31.744 ( -6.497 -16.655 -9.664) 20.322 31.744 ( 6.497 -16.655 -9.664) 20.322 33.941 ( -13.128 -4.183 12.144) 18.366 33.941 ( 13.128 -4.183 12.144) 18.366 34.195 ( -18.707 -7.841 -9.564) 22.425 34.195 ( 18.707 -7.841 -9.564) 22.425 ======================= Grid point 126 (46/60) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 0.000 12.975 0.540) 12.986 2.017 ( 0.000 15.149 19.345) 24.571 2.116 ( 0.000 7.084 -11.546) 13.546 2.213 ( 0.000 13.714 1.345) 13.780 2.589 ( 0.000 -1.140 -0.618) 1.296 2.694 ( 0.000 17.180 4.543) 17.771 2.744 ( 0.000 18.051 -1.100) 18.084 2.917 ( 0.000 -0.657 -24.921) 24.929 3.116 ( 0.000 5.744 23.259) 23.958 3.344 ( 0.000 13.481 16.931) 21.642 3.608 ( 0.000 7.946 -17.514) 19.233 3.673 ( 0.000 3.511 -8.724) 9.404 4.378 ( 0.000 -4.057 10.682) 11.427 4.424 ( 0.000 -10.270 11.072) 15.101 4.481 ( 0.000 -8.943 -5.616) 10.560 4.601 ( 0.000 3.320 -3.414) 4.763 4.684 ( 0.000 -9.662 -4.244) 10.553 4.701 ( 0.000 0.225 -8.152) 8.155 4.817 ( 0.000 -5.974 1.965) 6.289 5.017 ( 0.000 12.984 4.586) 13.770 5.032 ( 0.000 -11.351 -9.701) 14.932 5.102 ( 0.000 14.267 -3.464) 14.682 5.110 ( 0.000 -1.677 -5.123) 5.390 5.146 ( 0.000 -2.434 -3.975) 4.661 5.360 ( 0.000 1.422 3.211) 3.512 5.537 ( 0.000 6.377 -9.314) 11.288 5.555 ( 0.000 -1.559 4.715) 4.966 5.631 ( 0.000 -5.716 -2.107) 6.092 5.751 ( 0.000 11.907 15.702) 19.706 5.902 ( 0.000 -7.515 12.672) 14.733 5.986 ( 0.000 11.000 -2.231) 11.224 6.071 ( 0.000 -1.490 2.228) 2.680 6.304 ( 0.000 3.222 3.389) 4.676 6.364 ( 0.000 3.720 -1.030) 3.860 6.469 ( 0.000 5.889 -4.753) 7.568 6.497 ( 0.000 8.868 -13.521) 16.170 6.965 ( 0.000 11.518 7.247) 13.608 7.066 ( 0.000 20.681 -0.952) 20.703 7.193 ( 0.000 0.694 4.379) 4.434 7.219 ( 0.000 1.795 1.358) 2.250 7.342 ( 0.000 -3.142 1.035) 3.308 7.447 ( 0.000 -0.256 -7.326) 7.330 7.590 ( 0.000 -1.681 6.737) 6.943 7.678 ( 0.000 -1.256 -0.538) 1.367 7.881 ( 0.000 3.945 3.292) 5.138 7.978 ( 0.000 4.653 -5.188) 6.969 8.414 ( 0.000 12.165 4.190) 12.867 8.500 ( 0.000 14.249 -3.574) 14.690 8.923 ( 0.000 0.861 0.340) 0.926 8.994 ( 0.000 -5.865 -6.001) 8.391 9.323 ( 0.000 -7.346 5.166) 8.981 9.371 ( 0.000 -10.441 0.428) 10.449 10.117 ( 0.000 -0.047 3.317) 3.317 10.268 ( 0.000 0.288 -10.494) 10.498 10.399 ( 0.000 6.883 3.980) 7.951 10.484 ( 0.000 4.172 -3.073) 5.181 10.720 ( 0.000 7.618 6.132) 9.779 10.798 ( 0.000 9.787 -1.573) 9.913 11.049 ( 0.000 10.626 3.934) 11.331 11.188 ( 0.000 9.837 -7.673) 12.475 11.556 ( 0.000 11.168 0.889) 11.203 11.575 ( 0.000 9.769 -0.687) 9.793 11.669 ( 0.000 9.372 4.856) 10.555 11.769 ( 0.000 10.807 -3.713) 11.427 12.248 ( 0.000 20.265 5.601) 21.025 12.365 ( 0.000 20.159 -4.457) 20.646 12.874 ( 0.000 -17.014 -0.604) 17.025 12.909 ( 0.000 -15.406 -3.314) 15.758 13.123 ( 0.000 -18.473 7.096) 19.789 13.164 ( 0.000 -33.416 1.910) 33.471 13.212 ( 0.000 -32.655 -2.170) 32.727 13.264 ( 0.000 -21.334 -5.557) 22.046 13.462 ( 0.000 -24.355 1.894) 24.429 13.502 ( 0.000 -24.693 -1.543) 24.742 14.031 ( 0.000 -17.062 7.358) 18.581 14.172 ( 0.000 -17.102 -4.889) 17.787 16.705 ( 0.000 26.557 4.100) 26.872 16.814 ( 0.000 22.081 -5.199) 22.685 18.168 ( 0.000 -18.580 1.034) 18.609 18.192 ( 0.000 -19.135 -0.990) 19.161 18.739 ( 0.000 38.122 8.227) 38.999 18.904 ( 0.000 36.646 -5.890) 37.116 21.278 ( 0.000 -16.740 1.083) 16.775 21.303 ( 0.000 -15.954 -1.065) 15.990 22.363 ( 0.000 9.353 7.166) 11.783 22.563 ( 0.000 6.750 -9.702) 11.819 22.809 ( 0.000 9.460 2.548) 9.798 22.869 ( 0.000 8.965 -2.585) 9.330 28.947 ( 0.000 13.151 3.057) 13.502 28.964 ( 0.000 10.655 1.610) 10.776 29.007 ( 0.000 10.959 -2.149) 11.168 29.023 ( 0.000 13.438 -3.372) 13.854 29.775 ( 0.000 10.177 7.846) 12.850 29.792 ( 0.000 -1.764 0.324) 1.793 29.801 ( 0.000 1.390 -0.421) 1.452 29.876 ( 0.000 3.310 2.525) 4.163 29.930 ( 0.000 7.164 -2.098) 7.465 29.936 ( 0.000 -0.740 -5.648) 5.697 30.470 ( 0.000 -9.981 7.349) 12.395 30.697 ( 0.000 -8.880 -11.572) 14.586 31.147 ( 0.000 -1.167 0.915) 1.483 31.169 ( 0.000 -0.514 -0.941) 1.073 31.432 ( 0.000 -4.573 1.229) 4.735 31.510 ( 0.000 -4.797 -6.676) 8.221 33.454 ( 0.000 6.115 1.101) 6.214 33.480 ( 0.000 8.518 -1.068) 8.585 34.420 ( 0.000 -19.768 24.542) 31.514 34.885 ( 0.000 -28.437 -15.957) 32.608 ======================= Grid point 127 (47/60) ======================= q-point: ( 0.12 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -0.020 10.823 14.249) 17.893 2.090 ( 9.482 10.582 1.449) 14.283 2.283 ( 12.923 8.658 2.054) 15.690 2.384 ( 12.037 12.196 -1.579) 17.208 2.466 ( -8.776 15.707 2.825) 18.213 2.657 ( -4.062 16.264 -2.594) 16.963 2.755 ( 0.551 9.330 -0.518) 9.360 2.851 ( -2.406 -1.880 -12.260) 12.634 3.136 ( 1.918 0.269 5.496) 5.827 3.377 ( -6.285 -4.015 11.451) 13.666 3.534 ( -3.639 1.782 -17.874) 18.328 3.694 ( -3.027 -4.182 -8.970) 10.349 4.181 ( -21.020 8.584 13.464) 26.398 4.307 ( 2.945 11.780 8.878) 15.042 4.412 ( -6.418 7.135 0.394) 9.605 4.472 ( -4.294 6.315 -4.128) 8.681 4.700 ( 5.000 -11.349 -2.507) 12.653 4.790 ( 3.798 -9.993 -5.512) 12.028 4.866 ( 0.014 -1.242 3.159) 3.395 4.966 ( -2.133 5.433 3.923) 7.033 5.056 ( -3.535 -3.894 -7.997) 9.571 5.093 ( 1.070 2.503 -5.630) 6.254 5.203 ( 8.982 1.356 2.353) 9.384 5.286 ( 3.499 9.262 -3.476) 10.493 5.354 ( 6.541 -6.598 -5.869) 10.989 5.401 ( -3.498 -8.059 -6.180) 10.741 5.701 ( 9.385 0.152 8.083) 12.387 5.774 ( -0.377 5.419 15.236) 16.175 5.806 ( 5.502 6.388 -0.746) 8.464 5.952 ( 6.130 -7.541 8.047) 12.618 6.031 ( 6.785 13.563 0.864) 15.190 6.125 ( 4.575 -6.743 -7.232) 10.895 6.234 ( -4.973 1.280 -5.370) 7.430 6.300 ( -0.190 3.619 -6.580) 7.512 6.512 ( 6.647 8.808 6.756) 12.939 6.608 ( -0.571 3.980 -2.257) 4.611 6.902 ( -14.691 9.791 1.359) 17.707 6.938 ( -5.727 2.740 -2.266) 6.741 7.096 ( -1.334 5.070 5.801) 7.819 7.197 ( 6.120 9.462 -1.356) 11.350 7.419 ( 2.238 -1.490 4.446) 5.196 7.547 ( 5.036 1.737 -5.207) 7.450 7.596 ( -1.803 4.125 5.540) 7.139 7.709 ( 0.544 -0.566 -3.389) 3.479 7.893 ( 3.496 7.278 2.510) 8.456 7.960 ( -0.344 7.729 -3.501) 8.492 8.362 ( -4.396 11.063 4.555) 12.746 8.456 ( -3.933 11.903 -3.892) 13.126 8.928 ( 0.498 1.779 1.035) 2.118 9.000 ( 0.399 -4.829 -5.281) 7.167 9.269 ( -5.849 -4.763 4.146) 8.607 9.313 ( -5.114 -8.348 0.250) 9.793 10.156 ( 2.886 0.667 2.195) 3.686 10.243 ( -2.320 4.023 -4.013) 6.138 10.382 ( -6.263 4.845 0.155) 7.920 10.397 ( -1.231 2.815 -2.745) 4.120 10.802 ( 5.911 8.713 4.041) 11.277 10.871 ( 5.054 8.084 -2.286) 9.804 11.064 ( 2.469 8.234 5.065) 9.977 11.210 ( 2.313 9.180 -7.407) 12.020 11.439 ( -9.101 13.993 1.706) 16.779 11.462 ( -8.991 13.706 -0.508) 16.400 11.734 ( 4.995 5.381 4.119) 8.418 11.821 ( 4.090 7.187 -3.302) 8.904 12.364 ( 9.944 18.125 4.188) 21.093 12.454 ( 7.478 17.542 -3.484) 19.385 12.840 ( -3.111 -16.907 -0.180) 17.191 12.880 ( -2.415 -14.495 -3.083) 15.014 13.028 ( -7.525 -18.773 5.200) 20.882 13.101 ( -6.529 -25.214 -0.844) 26.059 13.242 ( 1.912 -31.945 -1.049) 32.019 13.261 ( 0.796 -28.256 -3.239) 28.453 13.466 ( -0.031 -25.158 2.573) 25.289 13.515 ( 0.738 -25.711 -1.552) 25.769 13.985 ( -4.597 -16.265 7.078) 18.324 14.122 ( -5.106 -16.420 -4.780) 17.847 16.661 ( -3.750 25.944 3.447) 26.439 16.750 ( -5.410 22.582 -4.090) 23.579 17.838 ( -24.449 -0.372 0.978) 24.471 17.855 ( -24.931 -1.377 -0.540) 24.975 19.079 ( 24.837 19.291 6.261) 32.066 19.213 ( 23.404 19.722 -5.025) 31.015 21.249 ( -3.626 -14.459 2.249) 15.076 21.303 ( -1.475 -15.043 -2.220) 15.277 22.416 ( 5.457 7.571 5.233) 10.699 22.565 ( 0.997 6.201 -7.394) 9.702 22.828 ( 1.762 8.974 2.453) 9.468 22.884 ( 1.304 8.534 -2.224) 8.915 28.950 ( 0.337 11.277 1.003) 11.327 28.989 ( -0.711 11.339 -2.319) 11.595 29.010 ( 4.606 12.098 3.265) 13.350 29.076 ( 4.250 12.498 -2.202) 13.383 29.584 ( -9.965 10.055 2.756) 14.422 29.654 ( -10.406 4.886 -2.987) 11.877 29.903 ( 3.757 7.181 3.511) 8.832 29.937 ( 0.017 2.140 0.173) 2.147 29.973 ( 6.642 -2.092 0.032) 6.963 30.001 ( 4.175 1.245 -2.047) 4.814 30.442 ( -2.550 -7.341 8.881) 11.801 30.689 ( -1.076 -8.871 -11.461) 14.533 31.158 ( 1.039 -3.440 0.898) 3.704 31.182 ( 1.348 -3.594 -1.160) 4.010 31.419 ( -1.357 -5.466 2.224) 6.055 31.521 ( 0.876 -6.939 -7.613) 10.339 33.496 ( 4.027 5.572 0.757) 6.917 33.514 ( 3.603 6.893 -0.774) 7.816 34.363 ( -5.604 -17.779 22.654) 29.338 34.800 ( -8.470 -25.967 -15.209) 31.262 ======================= Grid point 128 (48/60) ======================= q-point: ( 0.25 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 9.393 5.912 21.223) 23.950 2.189 ( -3.882 12.369 5.224) 13.977 2.348 ( 1.625 6.261 7.406) 9.833 2.436 ( -1.246 11.223 3.528) 11.831 2.616 ( 10.604 7.202 1.227) 12.876 2.676 ( -4.937 5.603 -5.310) 9.163 2.728 ( 5.187 2.058 -16.608) 17.520 2.883 ( 0.840 6.659 -14.010) 15.535 3.013 ( -6.627 -6.017 3.057) 9.459 3.188 ( -10.327 3.305 -3.242) 11.317 3.429 ( -7.620 1.220 -0.181) 7.719 3.627 ( -4.186 3.765 -8.419) 10.128 3.929 ( 3.005 5.068 9.472) 11.155 4.139 ( -3.950 3.027 -6.592) 8.260 4.502 ( -4.434 -1.172 8.308) 9.490 4.640 ( -4.771 -1.341 -2.128) 5.394 4.709 ( 13.038 8.598 5.595) 16.589 4.826 ( 4.554 2.578 -1.735) 5.513 4.850 ( 2.528 11.966 0.503) 12.240 4.925 ( 0.074 4.167 -0.729) 4.231 5.068 ( 3.807 -2.949 -0.136) 4.817 5.118 ( -0.027 -0.529 -7.040) 7.060 5.298 ( 1.786 -1.574 0.685) 2.477 5.350 ( 0.270 -9.678 -2.993) 10.134 5.385 ( 8.013 -0.049 4.621) 9.250 5.554 ( 7.553 -3.484 -7.656) 11.305 5.639 ( -10.343 5.121 12.608) 17.093 5.785 ( -1.326 5.714 2.743) 6.476 5.880 ( 5.856 5.422 5.452) 9.665 6.034 ( -7.658 6.128 -10.609) 14.448 6.115 ( 5.355 -3.519 2.673) 6.943 6.166 ( 0.374 -1.949 -1.474) 2.472 6.346 ( 15.105 4.875 3.944) 16.355 6.452 ( -5.649 3.453 -0.240) 6.625 6.489 ( 0.254 0.603 -1.844) 1.956 6.589 ( 9.848 1.660 -9.035) 13.468 6.687 ( -3.139 -2.594 5.715) 7.017 6.804 ( -4.558 -3.055 -6.003) 8.133 7.164 ( 3.057 6.023 9.119) 11.348 7.320 ( 1.546 7.798 -4.197) 8.989 7.443 ( -10.389 5.545 3.089) 12.174 7.491 ( 3.335 3.226 8.184) 9.408 7.528 ( -6.323 6.695 -0.483) 9.221 7.714 ( 1.008 2.814 -7.022) 7.631 7.987 ( 6.532 13.456 3.281) 15.313 8.062 ( 9.341 16.660 -2.581) 19.274 8.299 ( -1.029 8.467 1.552) 8.670 8.363 ( -5.387 6.779 -3.959) 9.520 8.947 ( 1.310 4.329 1.907) 4.909 8.999 ( -0.964 -0.124 -2.358) 2.550 9.115 ( -8.363 -1.753 4.117) 9.484 9.199 ( -5.853 -4.773 -2.596) 7.986 10.156 ( -4.415 4.137 1.592) 6.256 10.202 ( -1.040 4.107 -1.278) 4.426 10.275 ( -3.102 4.653 2.852) 6.277 10.383 ( -2.138 3.480 -5.829) 7.118 10.869 ( 1.109 11.078 2.076) 11.325 10.939 ( 1.909 9.478 -3.550) 10.299 11.164 ( -0.032 8.478 3.265) 9.085 11.205 ( -0.406 9.676 0.984) 9.734 11.292 ( -4.681 13.196 2.063) 14.152 11.376 ( 5.753 7.232 -4.024) 10.079 11.830 ( 3.849 1.798 2.956) 5.176 11.893 ( 2.498 3.072 -2.409) 4.635 12.519 ( 1.589 7.204 1.540) 7.536 12.553 ( 1.563 2.536 -1.573) 3.369 12.813 ( 0.592 -10.280 0.739) 10.323 12.842 ( -3.153 -9.256 -1.240) 9.857 12.900 ( -1.200 -14.995 3.298) 15.400 12.975 ( -2.735 -15.678 -3.238) 16.240 13.285 ( 2.725 -32.849 -0.504) 32.966 13.298 ( 2.749 -31.903 -1.828) 32.073 13.446 ( -2.051 -26.490 3.487) 26.797 13.507 ( -1.912 -26.984 -2.022) 27.127 13.865 ( -7.309 -15.001 5.845) 17.681 13.981 ( -9.146 -14.907 -4.113) 17.966 16.598 ( -1.896 23.962 2.385) 24.155 16.656 ( -3.202 22.182 -2.583) 22.560 17.366 ( -22.903 8.480 0.930) 24.440 17.386 ( -22.047 8.931 -0.733) 23.798 19.572 ( 25.166 9.987 4.669) 27.475 19.677 ( 23.479 9.344 -4.183) 25.614 21.114 ( -10.460 -9.585 3.087) 14.519 21.189 ( -10.794 -10.851 -3.206) 15.638 22.562 ( 8.713 4.819 2.252) 10.209 22.627 ( 5.474 4.233 -3.379) 7.701 22.862 ( 1.328 7.869 2.276) 8.298 22.910 ( 1.105 7.545 -1.778) 7.830 28.963 ( 1.082 11.116 0.283) 11.172 28.986 ( 0.665 11.224 -1.666) 11.367 29.126 ( 6.061 11.042 3.385) 13.043 29.165 ( 4.078 10.665 0.354) 11.424 29.435 ( -4.572 13.331 -1.185) 14.143 29.456 ( -8.164 11.204 -2.888) 14.161 29.886 ( -5.260 2.324 3.858) 6.925 29.965 ( 0.162 4.166 -1.766) 4.528 30.062 ( 3.980 0.803 0.088) 4.062 30.106 ( 6.658 2.041 -2.121) 7.280 30.394 ( -1.986 -4.468 11.741) 12.719 30.645 ( -3.606 -8.298 -9.615) 13.203 31.184 ( 1.573 -8.030 1.288) 8.283 31.225 ( 3.233 -8.736 -2.404) 9.620 31.383 ( -2.298 -7.897 4.382) 9.319 31.527 ( -0.618 -11.689 -8.648) 14.554 33.590 ( 5.515 4.662 1.548) 7.385 33.627 ( 7.772 2.090 -1.538) 8.194 34.218 ( -8.791 -13.192 18.042) 24.017 34.580 ( -13.431 -20.105 -13.069) 27.485 ======================= Grid point 129 (49/60) ======================= q-point: ( 0.38 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -2.743 11.163 6.610) 13.260 2.178 ( -0.434 4.199 5.684) 7.080 2.279 ( 2.121 3.942 15.992) 16.607 2.427 ( -14.557 10.681 1.780) 18.142 2.483 ( -11.209 10.875 0.277) 15.620 2.672 ( -9.216 4.024 14.837) 17.924 2.724 ( 10.349 0.432 7.196) 12.612 2.916 ( 12.308 -3.033 -16.918) 21.140 3.042 ( 1.940 4.039 -23.677) 24.097 3.131 ( 2.663 -1.015 -21.732) 21.918 3.376 ( -2.055 -1.646 8.376) 8.780 3.587 ( -2.781 0.817 -7.018) 7.593 4.132 ( 3.339 3.469 1.508) 5.045 4.151 ( 13.931 2.005 0.818) 14.098 4.456 ( -4.052 4.156 -0.524) 5.828 4.513 ( 9.459 4.595 -2.492) 10.807 4.709 ( -8.221 3.263 4.173) 9.780 4.764 ( -6.689 2.662 1.661) 7.388 4.957 ( -4.458 -3.971 6.304) 8.683 5.025 ( -7.774 2.748 4.069) 9.194 5.094 ( 4.916 4.996 12.064) 13.952 5.247 ( 14.309 19.824 -4.278) 24.820 5.369 ( 3.961 -11.668 0.014) 12.322 5.389 ( 4.709 -9.506 -1.166) 10.672 5.463 ( -2.032 2.738 3.494) 4.882 5.516 ( 5.408 4.881 -0.798) 7.329 5.650 ( -3.271 -0.662 -8.299) 8.945 5.717 ( -6.855 2.518 -10.025) 12.403 5.886 ( 1.358 5.089 3.008) 6.065 5.940 ( -0.356 6.753 -1.592) 6.947 6.150 ( -1.941 -0.532 2.698) 3.367 6.183 ( -2.638 -1.179 0.643) 2.960 6.347 ( 3.000 -2.562 2.756) 4.813 6.400 ( -0.797 -1.374 -2.245) 2.750 6.602 ( 1.911 -6.936 3.718) 8.098 6.662 ( 4.620 -8.207 -0.006) 9.418 6.851 ( 15.050 7.556 1.904) 16.948 6.983 ( 4.832 10.218 -8.484) 14.132 7.097 ( -7.310 2.677 11.614) 13.982 7.229 ( -7.615 4.994 1.624) 9.250 7.263 ( -6.051 6.676 -1.780) 9.185 7.358 ( 4.125 6.865 -10.093) 12.884 7.575 ( -5.875 4.858 9.001) 11.796 7.745 ( 3.088 7.179 -4.899) 9.224 8.082 ( 2.158 14.774 5.454) 15.896 8.214 ( -0.584 12.637 -4.734) 13.507 8.282 ( 2.748 12.008 -0.302) 12.322 8.330 ( 1.071 7.391 -2.890) 8.008 8.905 ( -3.099 4.251 3.794) 6.486 8.984 ( 2.099 5.699 -2.874) 6.719 9.065 ( 1.520 -0.615 2.364) 2.877 9.109 ( -4.168 -1.721 -1.486) 4.748 10.069 ( -2.862 5.886 5.449) 8.516 10.168 ( -3.419 6.498 0.575) 7.365 10.215 ( -2.804 7.283 -2.975) 8.352 10.296 ( -5.954 8.085 -5.940) 11.666 10.894 ( 2.113 11.105 3.210) 11.751 10.967 ( 1.448 11.717 -2.727) 12.117 11.051 ( -5.158 12.362 3.486) 13.841 11.121 ( -5.568 13.940 -2.448) 15.209 11.456 ( 12.574 -0.263 4.043) 13.211 11.544 ( 9.946 2.197 -3.381) 10.732 11.837 ( -3.937 0.209 2.043) 4.440 11.883 ( -4.271 0.886 -1.828) 4.730 12.495 ( 0.680 -9.396 1.852) 9.601 12.549 ( -0.010 -9.272 -2.824) 9.692 12.718 ( -6.892 -12.437 0.434) 14.225 12.726 ( -7.478 -12.055 -0.177) 14.187 13.039 ( 9.966 -6.445 2.063) 12.046 13.089 ( 10.248 -5.064 -2.261) 11.652 13.316 ( -2.709 -25.640 2.302) 25.885 13.355 ( 2.935 -29.606 -1.014) 29.769 13.438 ( 2.837 -28.330 -0.251) 28.473 13.446 ( -1.854 -25.944 -0.681) 26.019 13.712 ( -8.286 -16.822 3.227) 19.027 13.779 ( -11.208 -14.674 -2.453) 18.627 16.609 ( 3.302 21.062 1.637) 21.382 16.649 ( 2.740 20.108 -1.718) 20.367 16.980 ( -16.445 13.940 1.515) 21.611 17.015 ( -15.990 13.793 -1.399) 21.164 20.048 ( 23.737 4.042 2.929) 24.256 20.116 ( 21.691 3.329 -2.809) 22.124 20.851 ( -16.249 -5.169 2.007) 17.169 20.900 ( -18.109 -5.624 -2.071) 19.075 22.720 ( 6.937 4.381 1.328) 8.311 22.756 ( 6.905 3.407 -1.717) 7.889 22.869 ( -0.824 6.579 2.143) 6.968 22.915 ( -0.881 6.191 -1.787) 6.504 28.992 ( 2.059 11.318 0.825) 11.533 29.023 ( 3.143 11.347 -1.742) 11.903 29.128 ( -3.947 10.914 3.896) 12.242 29.213 ( -3.837 9.360 -3.344) 10.655 29.382 ( 5.839 13.079 4.155) 14.913 29.497 ( 7.918 13.223 -5.678) 16.425 29.745 ( -8.831 6.064 4.858) 11.763 29.871 ( -8.370 6.549 -6.281) 12.345 30.169 ( 6.230 1.655 4.112) 7.646 30.250 ( 7.905 -0.002 -2.627) 8.330 30.356 ( -2.458 -3.401 9.732) 10.598 30.548 ( -6.291 -6.047 -6.741) 11.026 31.222 ( 2.393 -11.546 2.744) 12.107 31.305 ( 4.468 -12.847 -3.765) 14.114 31.334 ( -2.405 -11.265 4.867) 12.505 31.489 ( -3.316 -15.047 -8.087) 17.401 33.712 ( 7.033 1.104 4.145) 8.238 33.806 ( 10.571 -2.283 -3.802) 11.463 34.038 ( -9.402 -8.054 12.678) 17.719 34.304 ( -14.424 -13.460 -10.010) 22.123 ======================= Grid point 130 (50/60) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -8.561 11.314 4.894) 15.008 2.150 ( 8.561 11.314 4.894) 15.008 2.216 ( -8.358 11.181 -1.902) 14.088 2.216 ( 8.357 11.181 -1.902) 14.088 2.458 ( -10.610 7.061 21.593) 25.074 2.458 ( 10.610 7.061 21.593) 25.074 3.033 ( -6.026 -3.546 -20.381) 21.547 3.033 ( 6.025 -3.546 -20.382) 21.548 3.138 ( -16.819 -6.374 0.680) 17.999 3.138 ( 16.819 -6.375 0.681) 18.000 3.351 ( -18.141 -5.262 -11.976) 22.365 3.351 ( 18.141 -5.262 -11.976) 22.365 4.351 ( -13.137 11.076 5.053) 17.911 4.351 ( 13.137 11.076 5.053) 17.911 4.451 ( -14.122 7.666 -3.452) 16.435 4.451 ( 14.122 7.666 -3.452) 16.435 4.728 ( -8.339 1.483 7.845) 11.545 4.728 ( 8.339 1.483 7.845) 11.545 4.824 ( -11.314 1.622 1.959) 11.596 4.824 ( 11.314 1.622 1.959) 11.596 5.233 ( -8.912 1.453 8.644) 12.500 5.233 ( 8.912 1.453 8.644) 12.500 5.444 ( -1.315 -6.828 -4.546) 8.308 5.444 ( 1.315 -6.828 -4.546) 8.308 5.517 ( -4.847 3.210 -1.079) 5.913 5.517 ( 4.847 3.210 -1.079) 5.913 5.640 ( -6.489 6.570 -9.225) 13.052 5.640 ( 6.489 6.570 -9.225) 13.052 5.969 ( -0.860 -0.864 5.361) 5.498 5.969 ( 0.860 -0.864 5.361) 5.498 6.075 ( -1.770 1.636 -4.060) 4.721 6.075 ( 1.770 1.636 -4.060) 4.721 6.478 ( -3.797 -6.251 6.045) 9.489 6.478 ( 3.797 -6.251 6.045) 9.489 6.608 ( -7.530 -3.435 -6.104) 10.284 6.608 ( 7.530 -3.435 -6.104) 10.284 6.958 ( -6.425 5.386 7.381) 11.170 6.958 ( 6.425 5.386 7.381) 11.170 7.094 ( -9.765 8.920 -4.875) 14.096 7.094 ( 9.765 8.920 -4.875) 14.096 7.351 ( -15.516 5.599 11.721) 20.236 7.351 ( 15.516 5.599 11.721) 20.236 7.641 ( -14.354 9.150 -12.959) 21.394 7.641 ( 14.354 9.150 -12.959) 21.394 8.149 ( -4.706 9.578 6.591) 12.543 8.149 ( 4.706 9.578 6.591) 12.543 8.309 ( -1.685 11.253 -6.842) 13.277 8.309 ( 1.685 11.253 -6.842) 13.277 8.983 ( -8.237 3.250 4.251) 9.823 8.983 ( 8.237 3.250 4.251) 9.823 9.058 ( -3.365 2.451 -2.046) 4.639 9.058 ( 3.365 2.451 -2.046) 4.639 10.077 ( -3.766 9.129 4.684) 10.930 10.077 ( 3.766 9.129 4.684) 10.930 10.208 ( -2.193 8.347 -6.465) 10.783 10.208 ( 2.193 8.347 -6.465) 10.783 10.950 ( -3.346 11.894 4.193) 13.047 10.950 ( 3.346 11.894 4.193) 13.047 11.033 ( -3.325 11.783 -2.940) 12.591 11.033 ( 3.325 11.783 -2.940) 12.591 11.688 ( -10.555 -0.986 2.216) 10.831 11.688 ( 10.555 -0.986 2.216) 10.831 11.738 ( -9.560 0.412 -2.029) 9.781 11.738 ( 9.560 0.412 -2.029) 9.781 12.578 ( -6.701 -11.652 0.695) 13.459 12.578 ( 6.701 -11.652 0.695) 13.459 12.600 ( -4.844 -12.725 -1.284) 13.676 12.600 ( 4.844 -12.725 -1.284) 13.676 13.208 ( -7.083 -15.019 3.086) 16.890 13.208 ( 7.083 -15.019 3.086) 16.890 13.277 ( -7.967 -16.390 -2.815) 18.439 13.277 ( 7.967 -16.390 -2.815) 18.439 13.539 ( -9.077 -22.120 1.734) 23.972 13.539 ( 9.077 -22.120 1.734) 23.973 13.575 ( -8.723 -21.345 -1.341) 23.097 13.575 ( 8.723 -21.345 -1.341) 23.097 16.730 ( -9.341 17.822 1.571) 20.183 16.730 ( 9.341 17.822 1.571) 20.183 16.767 ( -9.423 17.259 -1.549) 19.725 16.767 ( 9.423 17.259 -1.549) 19.725 20.488 ( -21.032 -0.971 1.409) 21.101 20.488 ( 21.032 -0.971 1.409) 21.101 20.521 ( -20.015 -1.113 -1.388) 20.094 20.521 ( 20.015 -1.113 -1.388) 20.094 22.825 ( -3.809 5.257 1.816) 6.741 22.825 ( 3.809 5.257 1.816) 6.741 22.867 ( -4.172 4.620 -1.788) 6.477 22.867 ( 4.172 4.620 -1.788) 6.477 29.048 ( -3.661 11.416 2.299) 12.207 29.048 ( 3.661 11.416 2.299) 12.207 29.106 ( -5.307 11.236 -2.686) 12.714 29.106 ( 5.307 11.236 -2.686) 12.714 29.557 ( -10.072 9.529 4.831) 14.683 29.557 ( 10.072 9.529 4.831) 14.683 29.683 ( -10.288 10.404 -6.097) 15.851 29.683 ( 10.288 10.404 -6.097) 15.851 30.281 ( -4.866 -0.929 6.669) 8.308 30.281 ( 4.866 -0.929 6.669) 8.308 30.409 ( -7.761 -2.919 -4.438) 9.405 30.409 ( 7.761 -2.919 -4.438) 9.405 31.275 ( -2.944 -12.635 4.679) 13.791 31.275 ( 2.944 -12.635 4.679) 13.791 31.406 ( -4.981 -15.474 -6.450) 17.489 31.406 ( 4.982 -15.474 -6.450) 17.489 33.863 ( -8.483 -3.229 7.893) 12.029 33.863 ( 8.483 -3.229 7.893) 12.029 34.035 ( -12.962 -7.422 -6.740) 16.387 34.035 ( 12.962 -7.422 -6.740) 16.387 ======================= Grid point 135 (51/60) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 0.000 3.919 15.520) 16.007 2.204 ( 0.000 7.945 -2.213) 8.247 2.254 ( 0.000 9.078 -7.779) 11.955 2.515 ( 0.000 10.591 -4.761) 11.611 2.664 ( 0.000 7.681 -4.590) 8.948 2.838 ( 0.000 2.235 3.924) 4.516 2.890 ( 0.000 0.587 -19.125) 19.134 2.961 ( 0.000 3.081 -5.820) 6.585 3.269 ( 0.000 4.304 22.802) 23.204 3.358 ( 0.000 -6.517 17.707) 18.869 3.665 ( 0.000 -2.158 -5.137) 5.571 3.724 ( 0.000 0.418 -15.323) 15.328 4.305 ( 0.000 -2.695 14.351) 14.601 4.342 ( 0.000 2.400 13.778) 13.986 4.369 ( 0.000 -0.975 3.571) 3.702 4.499 ( 0.000 -8.584 12.087) 14.826 4.643 ( 0.000 2.123 -8.772) 9.026 4.662 ( 0.000 -6.862 -1.722) 7.075 4.721 ( 0.000 2.071 -8.622) 8.867 4.890 ( 0.000 -1.928 -17.881) 17.984 5.072 ( 0.000 -2.322 -4.700) 5.243 5.106 ( 0.000 0.402 -11.606) 11.613 5.198 ( 0.000 0.233 5.181) 5.186 5.227 ( 0.000 -4.028 5.012) 6.430 5.383 ( 0.000 3.864 -2.837) 4.794 5.429 ( 0.000 -6.946 5.239) 8.700 5.516 ( 0.000 -5.365 -2.086) 5.756 5.553 ( 0.000 -2.446 -13.872) 14.086 5.962 ( 0.000 10.063 12.035) 15.688 6.097 ( 0.000 19.511 6.033) 20.422 6.133 ( 0.000 6.247 0.641) 6.280 6.181 ( 0.000 7.900 -2.099) 8.174 6.375 ( 0.000 0.846 8.272) 8.315 6.499 ( 0.000 8.800 2.961) 9.285 6.610 ( 0.000 4.778 -12.033) 12.947 6.634 ( 0.000 8.709 -4.735) 9.913 7.024 ( 0.000 -5.977 9.346) 11.094 7.113 ( 0.000 -15.229 6.327) 16.491 7.140 ( 0.000 -5.442 -1.208) 5.575 7.279 ( 0.000 -12.734 -8.087) 15.085 7.431 ( 0.000 17.017 5.619) 17.921 7.560 ( 0.000 19.579 -5.429) 20.318 7.636 ( 0.000 2.458 5.116) 5.676 7.743 ( 0.000 4.108 -3.854) 5.633 8.036 ( 0.000 11.750 4.360) 12.533 8.145 ( 0.000 14.732 -4.692) 15.461 8.693 ( 0.000 14.656 4.896) 15.452 8.735 ( 0.000 -15.942 1.902) 16.055 8.801 ( 0.000 14.294 -4.336) 14.937 8.850 ( 0.000 -9.935 -8.321) 12.959 9.196 ( 0.000 -7.259 2.949) 7.835 9.199 ( 0.000 -7.200 3.463) 7.989 10.148 ( 0.000 3.790 4.993) 6.269 10.317 ( 0.000 4.106 -10.041) 10.848 10.435 ( 0.000 -5.405 2.573) 5.986 10.471 ( 0.000 -1.724 -0.440) 1.779 10.977 ( 0.000 18.364 7.094) 19.686 11.082 ( 0.000 18.395 -2.448) 18.557 11.377 ( 0.000 19.437 1.210) 19.475 11.476 ( 0.000 17.169 -7.215) 18.624 11.787 ( 0.000 8.957 0.372) 8.965 11.798 ( 0.000 10.779 -0.456) 10.789 11.818 ( 0.000 1.800 5.543) 5.828 11.926 ( 0.000 -0.652 -3.883) 3.938 12.388 ( 0.000 -15.280 1.863) 15.393 12.403 ( 0.000 -19.012 0.171) 19.013 12.525 ( 0.000 -15.301 -0.196) 15.302 12.582 ( 0.000 -15.228 -4.627) 15.915 12.756 ( 0.000 -16.461 5.262) 17.282 12.841 ( 0.000 13.181 4.221) 13.840 12.848 ( 0.000 -18.274 -2.529) 18.448 12.942 ( 0.000 9.054 -3.647) 9.761 12.971 ( 0.000 -15.294 0.531) 15.303 12.996 ( 0.000 -23.092 -1.111) 23.119 13.658 ( 0.000 -19.457 6.629) 20.555 13.795 ( 0.000 -19.775 -5.094) 20.421 17.165 ( 0.000 19.242 1.769) 19.323 17.209 ( 0.000 17.135 -1.944) 17.245 17.826 ( 0.000 -15.433 0.509) 15.441 17.838 ( 0.000 -15.951 -0.485) 15.958 19.525 ( 0.000 38.023 5.653) 38.441 19.652 ( 0.000 35.824 -4.989) 36.170 20.849 ( 0.000 -25.284 2.072) 25.368 20.897 ( 0.000 -23.875 -1.952) 23.955 22.593 ( 0.000 12.240 4.809) 13.151 22.717 ( 0.000 7.933 -5.667) 9.749 22.910 ( 0.000 0.591 1.404) 1.524 22.945 ( 0.000 -1.299 -1.558) 2.028 29.159 ( 0.000 8.037 1.818) 8.240 29.182 ( 0.000 8.831 3.073) 9.350 29.205 ( 0.000 8.090 -2.093) 8.356 29.257 ( 0.000 8.313 -3.326) 8.954 29.748 ( 0.000 -1.556 0.573) 1.658 29.771 ( 0.000 -0.325 -1.659) 1.691 29.865 ( 0.000 -3.508 0.228) 3.515 29.884 ( 0.000 -1.056 -1.135) 1.550 30.017 ( 0.000 7.082 4.689) 8.494 30.108 ( 0.000 9.669 -3.209) 10.187 30.282 ( 0.000 -8.094 10.344) 13.135 30.509 ( 0.000 -9.543 -8.829) 13.001 31.144 ( 0.000 1.457 1.863) 2.364 31.193 ( 0.000 2.634 -2.227) 3.449 31.323 ( 0.000 -5.864 1.645) 6.090 31.393 ( 0.000 -6.225 -4.814) 7.870 33.602 ( 0.000 8.573 3.921) 9.427 33.692 ( 0.000 12.294 -3.656) 12.826 34.072 ( 0.000 -14.824 14.453) 20.703 34.375 ( 0.000 -21.904 -11.363) 24.676 ======================= Grid point 136 (52/60) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -1.891 7.760 6.756) 10.461 2.266 ( 2.898 8.073 -5.125) 9.992 2.358 ( 11.055 0.474 7.072) 13.132 2.515 ( -0.952 1.606 -0.450) 1.921 2.608 ( -7.057 2.630 -8.613) 11.442 2.709 ( -3.555 -6.464 -18.105) 19.550 2.989 ( 4.474 6.474 5.267) 9.470 3.066 ( -2.387 0.596 4.212) 4.877 3.120 ( -12.692 14.742 19.082) 27.249 3.331 ( 7.576 3.670 8.042) 11.642 3.513 ( -11.389 -6.024 -9.060) 15.750 3.701 ( -2.334 6.260 -17.187) 18.440 4.248 ( -8.854 0.938 14.468) 16.988 4.442 ( 8.451 -4.242 7.798) 12.256 4.450 ( -1.323 -4.822 6.859) 8.488 4.503 ( 1.028 -3.168 3.124) 4.567 4.533 ( -3.764 3.330 -4.394) 6.676 4.663 ( 8.827 -1.315 -8.447) 12.288 4.832 ( 3.990 -1.080 1.139) 4.287 4.905 ( -1.086 -3.808 -9.379) 10.180 5.041 ( -1.785 -4.908 -3.810) 6.465 5.084 ( 0.171 -0.761 -5.660) 5.714 5.236 ( 0.913 -0.897 2.166) 2.516 5.266 ( 2.839 -2.283 -2.662) 4.512 5.343 ( -0.606 2.046 4.891) 5.336 5.465 ( 6.399 6.804 -4.463) 10.352 5.607 ( 11.235 -7.043 6.584) 14.804 5.813 ( 16.032 -6.829 -9.823) 20.004 5.929 ( -3.159 5.700 8.253) 10.516 5.995 ( -4.887 10.213 4.123) 12.050 6.115 ( -4.849 7.210 3.817) 9.490 6.254 ( 2.135 7.286 -5.421) 9.329 6.314 ( 1.901 4.274 1.945) 5.066 6.402 ( -7.013 2.592 -7.221) 10.394 6.639 ( 4.262 9.682 0.542) 10.592 6.668 ( -3.089 3.289 -0.866) 4.595 6.934 ( -11.791 -2.156 3.263) 12.423 6.949 ( -11.741 -1.583 -0.406) 11.854 7.141 ( 1.821 -7.288 6.039) 9.638 7.284 ( 5.105 -4.597 -5.391) 8.732 7.507 ( 5.642 9.795 6.998) 13.295 7.635 ( 1.398 5.009 1.793) 5.500 7.711 ( 6.150 6.213 -4.466) 9.817 7.740 ( -1.806 4.247 -2.520) 5.258 8.094 ( 6.671 12.684 5.619) 15.394 8.218 ( 8.178 17.777 -4.674) 20.119 8.607 ( -6.648 11.089 2.246) 13.123 8.631 ( -7.191 -0.941 -0.661) 7.283 8.866 ( 4.045 -1.949 -2.934) 5.364 8.902 ( 3.582 -1.604 -4.484) 5.959 9.171 ( -2.902 -6.719 3.327) 8.040 9.191 ( -0.875 -4.999 2.244) 5.549 10.186 ( 3.457 2.855 4.234) 6.167 10.323 ( -0.173 3.827 -6.866) 7.863 10.394 ( -3.303 -3.174 1.595) 4.851 10.438 ( -2.323 0.421 -1.158) 2.630 11.031 ( 5.005 15.524 5.639) 17.258 11.104 ( 1.876 16.140 -1.299) 16.301 11.362 ( -1.276 18.623 1.784) 18.752 11.478 ( 0.220 16.474 -7.887) 18.266 11.698 ( -7.517 7.550 1.024) 10.703 11.714 ( -6.661 7.915 -0.457) 10.355 11.854 ( 2.359 5.310 4.957) 7.637 11.948 ( 1.516 1.567 -3.228) 3.895 12.394 ( -1.375 -19.187 0.420) 19.241 12.418 ( -0.526 -20.135 -1.397) 20.190 12.546 ( 2.647 -15.678 0.674) 15.914 12.584 ( 0.763 -14.396 -2.855) 14.697 12.710 ( -3.857 -15.567 4.514) 16.661 12.792 ( -4.924 -16.662 -2.241) 17.518 12.858 ( 2.060 14.490 4.360) 15.272 12.954 ( -1.836 -22.458 1.769) 22.602 12.963 ( 1.090 2.113 -3.704) 4.402 12.995 ( 0.645 -12.444 -2.148) 12.644 13.632 ( -2.599 -18.276 6.285) 19.501 13.762 ( -3.295 -18.697 -4.869) 19.599 17.113 ( -4.791 18.739 1.579) 19.406 17.151 ( -5.219 17.075 -1.669) 17.932 17.695 ( -12.051 -10.683 0.617) 16.116 17.710 ( -11.752 -10.812 -0.569) 15.979 19.651 ( 11.651 32.599 5.009) 34.979 19.764 ( 10.483 30.888 -4.572) 32.937 20.864 ( 0.773 -23.431 2.348) 23.561 20.918 ( 1.250 -22.705 -2.239) 22.849 22.612 ( 2.193 10.983 3.718) 11.801 22.710 ( -0.253 7.689 -4.573) 8.949 22.919 ( 0.741 0.108 1.407) 1.593 22.952 ( 0.534 -1.638 -1.333) 2.178 29.154 ( 0.164 8.365 1.193) 8.452 29.194 ( -0.606 8.381 -2.115) 8.665 29.225 ( 3.615 7.813 3.159) 9.170 29.288 ( 2.459 7.053 -2.144) 7.771 29.705 ( -3.535 1.928 -0.102) 4.028 29.720 ( -3.738 4.303 -1.664) 5.938 29.881 ( 0.770 -4.699 1.404) 4.964 29.922 ( 2.887 -2.530 -2.415) 4.536 30.044 ( 2.704 5.837 4.358) 7.770 30.131 ( 2.207 8.336 -3.117) 9.169 30.285 ( 0.237 -7.505 10.192) 12.660 30.501 ( -0.890 -9.402 -8.196) 12.505 31.127 ( -1.660 0.652 1.434) 2.289 31.166 ( -2.524 1.805 -1.897) 3.637 31.299 ( -2.355 -6.063 2.024) 6.812 31.375 ( -1.927 -7.112 -4.805) 8.797 33.623 ( 2.143 7.443 3.366) 8.445 33.701 ( 0.911 11.101 -3.177) 11.583 34.046 ( -2.539 -13.551 13.410) 19.233 34.329 ( -4.508 -20.274 -10.696) 23.362 ======================= Grid point 137 (53/60) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 5.247 6.028 11.824) 14.271 2.305 ( -0.930 2.621 -0.011) 2.781 2.426 ( -8.430 0.441 -3.555) 9.159 2.525 ( 3.109 -1.251 -3.906) 5.147 2.592 ( 10.135 -5.973 0.868) 11.796 2.711 ( 1.097 -2.271 -17.393) 17.575 2.811 ( -6.642 3.272 17.929) 19.397 2.911 ( -7.461 8.001 12.858) 16.882 3.168 ( 0.276 9.058 -5.808) 10.764 3.281 ( -9.601 3.914 -15.633) 18.759 3.446 ( -1.067 1.259 3.816) 4.158 3.707 ( 0.653 1.102 -11.904) 11.973 4.069 ( -5.725 6.815 11.383) 14.449 4.258 ( -8.252 9.292 -2.022) 12.591 4.475 ( 2.603 1.516 3.356) 4.510 4.588 ( 2.695 -3.425 3.211) 5.414 4.680 ( 7.036 -6.374 4.553) 10.529 4.823 ( 2.706 -4.747 -6.710) 8.653 4.845 ( -1.873 -2.639 2.653) 4.185 4.916 ( 6.830 2.166 -0.382) 7.176 5.040 ( -0.853 -8.719 -3.802) 9.550 5.096 ( 4.386 -1.744 -5.979) 7.618 5.234 ( -1.406 -0.002 3.305) 3.591 5.307 ( 3.408 -4.100 -1.501) 5.539 5.428 ( 6.598 5.998 3.203) 9.474 5.584 ( 4.099 6.537 -8.517) 11.492 5.782 ( -7.430 5.198 7.772) 11.942 5.854 ( 2.996 0.328 8.467) 8.988 5.962 ( 8.350 0.733 3.286) 9.004 6.053 ( 2.754 -0.927 3.113) 4.258 6.091 ( 4.742 -4.763 -3.230) 7.457 6.179 ( -1.316 4.380 -5.867) 7.439 6.332 ( -4.716 -6.347 1.066) 7.979 6.407 ( -3.087 -1.976 -4.441) 5.758 6.528 ( -9.244 -2.068 3.056) 9.953 6.623 ( -11.450 0.885 -4.789) 12.442 6.749 ( 7.037 11.386 6.222) 14.761 6.931 ( 14.068 14.753 -10.593) 22.973 7.198 ( 2.294 -2.952 8.121) 8.940 7.397 ( 3.643 -0.865 -7.558) 8.435 7.521 ( -7.460 2.212 2.095) 8.058 7.585 ( -8.069 3.788 -2.239) 9.191 7.702 ( 4.870 8.652 6.617) 11.931 7.788 ( -0.048 4.253 -1.477) 4.503 8.278 ( 9.475 12.960 7.833) 17.863 8.434 ( 11.948 16.444 -5.054) 20.945 8.480 ( -5.569 5.322 0.777) 7.742 8.507 ( -3.990 10.760 -2.349) 11.714 8.942 ( 2.963 -3.346 -1.122) 4.608 8.973 ( 3.823 0.392 -2.858) 4.789 9.086 ( -4.893 -3.206 4.081) 7.133 9.159 ( -2.282 -1.095 -1.192) 2.798 10.242 ( -0.084 4.145 2.449) 4.815 10.282 ( -0.886 3.241 2.518) 4.198 10.357 ( -0.786 3.477 -1.455) 3.850 10.426 ( 0.876 0.839 -4.366) 4.531 11.127 ( 2.170 14.053 1.282) 14.278 11.146 ( 3.767 11.951 0.655) 12.547 11.358 ( 1.841 14.487 3.303) 14.973 11.459 ( -4.355 13.324 -3.478) 14.443 11.563 ( -6.225 9.440 -0.562) 11.321 11.583 ( -2.784 9.241 -2.200) 9.898 11.897 ( 1.337 4.454 3.699) 5.942 11.961 ( -0.821 0.738 -1.813) 2.122 12.311 ( -6.244 -15.608 0.444) 16.816 12.355 ( -4.510 -18.121 -2.994) 18.913 12.555 ( -3.047 -14.407 2.583) 14.950 12.599 ( -1.877 -14.624 -1.706) 14.843 12.668 ( 0.816 -20.463 0.621) 20.489 12.696 ( -3.448 -19.496 -1.671) 19.869 12.885 ( -4.010 -21.427 2.516) 21.944 12.923 ( -1.656 -15.666 -0.316) 15.757 12.965 ( 5.396 0.401 4.197) 6.848 13.075 ( 6.735 9.556 -4.680) 12.593 13.562 ( -4.460 -14.947 5.208) 16.445 13.672 ( -5.823 -15.357 -4.169) 16.945 17.016 ( -4.231 17.059 1.267) 17.621 17.046 ( -4.673 16.068 -1.287) 16.783 17.425 ( -14.349 -2.333 0.967) 14.569 17.447 ( -13.921 -2.493 -0.911) 14.171 19.924 ( 15.419 22.680 3.683) 27.671 20.009 ( 13.814 21.556 -3.543) 25.846 20.845 ( -3.393 -17.393 2.397) 17.882 20.901 ( -3.849 -17.628 -2.334) 18.194 22.683 ( 4.992 7.315 1.586) 8.997 22.728 ( 2.436 5.774 -2.261) 6.662 22.930 ( 0.177 -0.743 1.460) 1.648 22.961 ( 0.224 -2.107 -1.126) 2.399 29.169 ( 1.212 8.552 0.425) 8.648 29.192 ( 0.615 8.491 -1.558) 8.655 29.302 ( 3.225 5.269 2.377) 6.619 29.328 ( 1.363 4.528 0.143) 4.730 29.633 ( -3.160 7.484 0.355) 8.131 29.679 ( 0.484 10.108 -3.625) 10.749 29.880 ( -1.175 -2.407 3.460) 4.376 29.966 ( 1.172 -2.615 -4.427) 5.274 30.115 ( 4.282 3.147 3.309) 6.260 30.185 ( 3.201 5.161 -2.737) 6.661 30.288 ( -0.015 -5.827 9.465) 11.115 30.472 ( -2.142 -8.523 -6.588) 10.983 31.088 ( -2.192 -1.323 0.891) 2.710 31.115 ( -2.025 -1.254 -1.427) 2.777 31.235 ( -4.107 -6.568 2.741) 8.217 31.318 ( -3.802 -8.863 -4.650) 10.707 33.682 ( 3.789 4.539 1.915) 6.215 33.727 ( 1.788 7.812 -1.845) 8.224 33.980 ( -4.109 -10.220 10.714) 15.366 34.210 ( -7.402 -16.064 -8.869) 19.787 ======================= Grid point 138 (54/60) ======================= q-point: ( 0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 2.781 6.582 4.855) 8.639 2.302 ( 1.734 8.470 0.368) 8.653 2.400 ( 6.945 4.048 11.040) 13.657 2.562 ( -0.770 0.879 2.179) 2.473 2.615 ( -7.187 1.734 0.523) 7.412 2.712 ( -2.663 3.461 11.573) 12.369 2.822 ( 3.997 1.446 -9.191) 10.126 2.878 ( 5.875 2.744 -0.155) 6.486 3.095 ( -5.375 -0.561 -16.602) 17.459 3.169 ( -1.559 4.997 -10.891) 12.083 3.283 ( -12.741 -3.435 6.358) 14.648 3.570 ( -13.594 -3.557 -11.560) 18.196 4.104 ( 8.438 -1.587 10.733) 13.745 4.294 ( 10.123 7.799 -5.359) 13.857 4.560 ( -0.982 0.859 4.438) 4.626 4.644 ( 8.648 3.847 6.327) 11.385 4.687 ( -2.750 2.209 -2.889) 4.559 4.787 ( -4.781 -1.739 -0.734) 5.140 4.868 ( -0.083 1.356 3.106) 3.390 4.990 ( 1.835 -4.611 -5.199) 7.187 5.034 ( 1.855 -8.094 7.674) 11.307 5.187 ( -2.059 -0.271 3.063) 3.700 5.239 ( 3.462 -4.669 -2.178) 6.207 5.398 ( 3.393 -8.209 -5.898) 10.663 5.529 ( 0.614 4.181 1.189) 4.390 5.612 ( 3.219 1.520 -2.504) 4.352 5.693 ( -0.792 7.688 2.163) 8.026 5.811 ( -1.346 3.287 -4.084) 5.412 6.025 ( -4.814 0.104 1.190) 4.960 6.065 ( -9.370 8.058 2.439) 12.596 6.156 ( 2.536 -2.761 1.907) 4.207 6.180 ( 5.088 3.499 2.898) 6.821 6.282 ( -0.550 -3.418 1.334) 3.710 6.339 ( -1.504 -1.778 -2.763) 3.613 6.426 ( 0.392 -8.316 -2.318) 8.642 6.485 ( 2.350 -7.646 -4.454) 9.156 7.057 ( 17.793 9.336 8.521) 21.826 7.149 ( -1.479 3.025 14.235) 14.628 7.244 ( 0.727 11.705 -5.482) 12.945 7.338 ( -5.539 5.021 -1.129) 7.561 7.411 ( -4.646 5.638 -5.548) 9.174 7.495 ( 8.676 6.245 -14.869) 18.313 7.646 ( -8.561 2.042 10.532) 13.726 7.853 ( 2.756 3.474 -6.994) 8.282 8.335 ( -1.033 8.843 6.222) 10.862 8.404 ( -1.687 10.009 4.669) 11.172 8.508 ( 1.365 8.903 -0.496) 9.021 8.619 ( 2.360 13.045 -7.866) 15.415 8.943 ( 1.086 0.420 5.500) 5.622 9.029 ( 2.657 1.353 -0.578) 3.037 9.079 ( 2.356 0.073 -1.010) 2.564 9.115 ( -2.090 1.261 -2.604) 3.569 10.225 ( 0.906 8.695 4.539) 9.850 10.298 ( 0.685 6.046 0.716) 6.127 10.352 ( -0.222 5.605 -1.376) 5.776 10.424 ( -1.670 4.027 -4.475) 6.248 11.151 ( 1.693 13.698 2.286) 13.990 11.209 ( 2.832 11.943 -2.369) 12.500 11.323 ( -6.732 13.156 2.442) 14.978 11.385 ( -4.426 10.290 -2.768) 11.539 11.517 ( 6.100 6.798 5.118) 10.470 11.633 ( 5.183 6.427 -4.812) 9.556 11.852 ( -6.611 0.779 2.310) 7.046 11.899 ( -5.788 -0.686 -1.676) 6.065 12.237 ( 0.665 -12.270 2.207) 12.484 12.303 ( 0.198 -12.036 -3.363) 12.498 12.456 ( -6.232 -11.734 1.920) 13.424 12.498 ( -7.302 -10.448 -1.694) 12.859 12.687 ( 1.791 -25.914 0.263) 25.977 12.698 ( 1.673 -24.151 -0.837) 24.223 12.799 ( -4.111 -25.041 2.553) 25.505 12.845 ( -4.829 -27.146 -1.613) 27.619 13.134 ( 9.712 3.689 4.297) 11.242 13.228 ( 8.466 4.132 -3.794) 10.156 13.459 ( -6.281 -10.026 3.860) 12.444 13.543 ( -7.358 -9.779 -3.283) 12.671 16.973 ( 0.088 14.203 0.917) 14.233 16.995 ( -0.191 13.470 -0.940) 13.504 17.177 ( -10.583 4.869 1.157) 11.706 17.204 ( -10.584 4.300 -1.113) 11.478 20.225 ( 15.207 12.295 2.313) 19.692 20.279 ( 13.688 11.700 -2.287) 18.152 20.723 ( -9.023 -8.400 1.679) 12.442 20.762 ( -10.026 -8.548 -1.645) 13.278 22.787 ( 4.990 3.085 0.559) 5.894 22.805 ( 5.189 2.345 -0.902) 5.766 22.919 ( -1.463 -0.930 1.512) 2.301 22.951 ( -1.416 -1.842 -1.249) 2.638 29.198 ( 1.844 8.354 0.681) 8.582 29.224 ( 2.655 7.911 -1.561) 8.489 29.297 ( -2.408 5.304 2.357) 6.283 29.344 ( -1.305 3.419 -1.568) 3.981 29.628 ( 3.230 10.366 3.952) 11.555 29.743 ( 5.530 10.399 -5.825) 13.140 29.829 ( -4.098 1.935 4.888) 6.666 29.953 ( -2.772 1.367 -6.199) 6.927 30.198 ( 3.854 0.845 2.871) 4.879 30.253 ( 3.719 0.395 -1.235) 3.938 30.283 ( -0.395 -3.623 6.684) 7.613 30.417 ( -3.479 -6.523 -4.573) 8.693 31.057 ( -0.463 -3.923 1.720) 4.309 31.103 ( 0.919 -5.808 -2.132) 6.255 31.150 ( -4.323 -6.894 3.044) 8.688 31.234 ( -4.654 -9.877 -4.164) 11.686 33.756 ( 3.107 2.905 1.296) 4.446 33.785 ( 4.958 0.862 -1.206) 5.175 33.896 ( -4.333 -5.792 7.278) 10.261 34.056 ( -8.109 -10.641 -6.314) 14.794 ======================= Grid point 139 (55/60) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -8.633 8.458 4.523) 12.904 2.371 ( 8.634 8.458 4.522) 12.905 2.415 ( -5.395 9.825 1.685) 11.335 2.415 ( 5.394 9.825 1.684) 11.334 2.635 ( -6.529 5.672 8.340) 12.015 2.635 ( 6.529 5.672 8.340) 12.015 2.941 ( -9.550 -1.647 1.722) 9.843 2.941 ( 9.550 -1.647 1.722) 9.843 3.043 ( -8.139 -3.968 -8.846) 12.659 3.043 ( 8.140 -3.968 -8.846) 12.659 3.294 ( -11.931 -0.582 -13.803) 18.254 3.294 ( 11.931 -0.582 -13.803) 18.254 4.343 ( -13.601 -8.381 11.732) 19.821 4.343 ( 13.601 -8.381 11.732) 19.821 4.552 ( -10.853 1.475 -7.314) 13.171 4.552 ( 10.853 1.475 -7.314) 13.171 4.794 ( -5.689 6.089 4.127) 9.299 4.794 ( 5.689 6.089 4.127) 9.299 4.891 ( -10.253 2.228 -1.646) 10.620 4.891 ( 10.253 2.228 -1.646) 10.620 5.141 ( -5.238 -3.456 5.245) 8.179 5.141 ( 5.238 -3.456 5.245) 8.179 5.296 ( -7.170 -5.535 -6.789) 11.320 5.296 ( 7.170 -5.535 -6.789) 11.320 5.588 ( -5.509 0.929 7.896) 9.673 5.588 ( 5.509 0.929 7.896) 9.673 5.769 ( -5.182 3.269 -6.791) 9.146 5.769 ( 5.182 3.269 -6.791) 9.146 6.001 ( -2.011 2.091 4.286) 5.175 6.001 ( 2.012 2.091 4.286) 5.175 6.135 ( -3.463 3.876 -5.310) 7.430 6.135 ( 3.463 3.876 -5.310) 7.430 6.345 ( -1.091 -5.112 5.587) 7.651 6.345 ( 1.091 -5.111 5.587) 7.651 6.495 ( -3.150 -6.448 -7.609) 10.459 6.495 ( 3.150 -6.448 -7.609) 10.459 7.125 ( -2.198 9.142 9.110) 13.092 7.125 ( 2.198 9.142 9.110) 13.092 7.309 ( -3.301 9.432 -6.867) 12.125 7.309 ( 3.300 9.432 -6.867) 12.125 7.425 ( -13.836 1.624 13.422) 19.345 7.425 ( 13.836 1.624 13.422) 19.345 7.772 ( -11.505 3.541 -15.677) 19.766 7.772 ( 11.505 3.541 -15.677) 19.766 8.363 ( -3.211 9.829 9.017) 13.720 8.363 ( 3.211 9.829 9.017) 13.720 8.545 ( -4.687 9.888 -5.839) 12.403 8.545 ( 4.687 9.888 -5.839) 12.403 9.043 ( -5.477 2.769 1.897) 6.423 9.043 ( 5.477 2.769 1.897) 6.423 9.086 ( -2.129 0.716 -1.139) 2.519 9.086 ( 2.129 0.716 -1.139) 2.519 10.275 ( -3.077 9.121 3.901) 10.386 10.275 ( 3.077 9.121 3.901) 10.386 10.372 ( -2.710 6.946 -4.425) 8.670 10.372 ( 2.710 6.946 -4.425) 8.670 11.211 ( -4.544 13.174 3.003) 14.256 11.211 ( 4.544 13.174 3.003) 14.256 11.283 ( -4.887 11.745 -3.010) 13.073 11.283 ( 4.887 11.745 -3.010) 13.073 11.685 ( -9.314 1.127 3.224) 9.921 11.685 ( 9.314 1.127 3.224) 9.921 11.758 ( -7.354 1.485 -2.979) 8.072 11.758 ( 7.354 1.485 -2.979) 8.072 12.325 ( -6.871 -11.232 1.572) 13.261 12.325 ( 6.871 -11.232 1.572) 13.261 12.363 ( -5.529 -10.225 -1.705) 11.749 12.363 ( 5.529 -10.225 -1.705) 11.749 12.729 ( -1.960 -25.840 1.272) 25.945 12.729 ( 1.960 -25.840 1.272) 25.945 12.758 ( -3.293 -26.667 -1.182) 26.896 12.758 ( 3.293 -26.667 -1.182) 26.896 13.314 ( -8.422 -3.763 3.504) 9.868 13.314 ( 8.422 -3.763 3.504) 9.868 13.392 ( -8.037 -2.857 -3.092) 9.073 13.392 ( 8.037 -2.857 -3.092) 9.073 17.023 ( -5.176 10.285 0.976) 11.555 17.023 ( 5.176 10.285 0.976) 11.555 17.046 ( -5.466 9.503 -0.972) 11.005 17.046 ( 5.466 9.503 -0.972) 11.005 20.504 ( -13.167 1.690 1.363) 13.344 20.504 ( 13.167 1.690 1.363) 13.344 20.536 ( -12.629 1.728 -1.342) 12.817 20.536 ( 12.629 1.728 -1.342) 12.817 22.871 ( -3.500 0.217 1.213) 3.711 22.871 ( 3.500 0.217 1.213) 3.711 22.899 ( -3.972 -0.400 -1.222) 4.175 22.899 ( 3.972 -0.400 -1.222) 4.175 29.243 ( -2.740 7.217 1.704) 7.906 29.243 ( 2.740 7.217 1.704) 7.906 29.288 ( -3.596 6.193 -2.143) 7.475 29.288 ( 3.596 6.193 -2.143) 7.475 29.727 ( -5.894 6.597 5.299) 10.312 29.727 ( 5.894 6.597 5.299) 10.312 29.863 ( -6.013 6.771 -6.551) 11.177 29.863 ( 6.013 6.771 -6.551) 11.177 30.255 ( -2.016 -1.475 4.676) 5.301 30.255 ( 2.016 -1.475 4.676) 5.301 30.340 ( -4.360 -3.634 -2.798) 6.328 30.340 ( 4.360 -3.634 -2.798) 6.328 31.078 ( -2.600 -6.209 2.754) 7.273 31.078 ( 2.600 -6.209 2.754) 7.273 31.150 ( -3.614 -8.980 -3.318) 10.233 31.150 ( 3.614 -8.980 -3.318) 10.233 33.818 ( -3.585 -1.045 3.905) 5.403 33.818 ( 3.585 -1.045 3.905) 5.403 33.906 ( -7.139 -5.039 -3.540) 9.428 33.906 ( 7.139 -5.039 -3.540) 9.428 ======================= Grid point 144 (56/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.000 -0.652 8.563) 8.587 2.243 ( 0.000 0.652 8.563) 8.587 2.485 ( 0.000 -9.808 -12.667) 16.021 2.485 ( 0.000 9.808 -12.667) 16.021 2.847 ( 0.000 -3.249 -3.809) 5.007 2.847 ( 0.000 3.249 -3.809) 5.007 2.931 ( 0.000 -0.279 -8.710) 8.714 2.931 ( 0.000 0.279 -8.710) 8.714 3.282 ( 0.000 -0.064 21.509) 21.509 3.282 ( 0.000 0.064 21.509) 21.509 3.661 ( 0.000 -1.376 -7.956) 8.074 3.661 ( 0.000 1.376 -7.956) 8.074 4.320 ( 0.000 -4.058 15.245) 15.776 4.320 ( 0.000 4.058 15.245) 15.776 4.397 ( 0.000 -2.426 7.403) 7.791 4.397 ( 0.000 2.426 7.403) 7.791 4.650 ( 0.000 -2.848 -0.394) 2.875 4.650 ( 0.000 2.848 -0.394) 2.875 4.793 ( 0.000 -5.498 -13.977) 15.020 4.793 ( 0.000 5.498 -13.977) 15.020 5.095 ( 0.000 -0.888 -2.530) 2.681 5.095 ( 0.000 0.888 -2.530) 2.681 5.181 ( 0.000 -6.191 -6.727) 9.143 5.181 ( 0.000 6.191 -6.727) 9.143 5.363 ( 0.000 -0.509 2.716) 2.763 5.363 ( 0.000 0.509 2.716) 2.763 5.490 ( 0.000 -1.894 -7.450) 7.687 5.490 ( 0.000 1.894 -7.450) 7.687 6.167 ( 0.000 -8.179 6.322) 10.337 6.167 ( 0.000 8.179 6.322) 10.337 6.257 ( 0.000 -3.881 -0.041) 3.881 6.257 ( 0.000 3.881 -0.041) 3.881 6.584 ( 0.000 -14.856 6.475) 16.206 6.584 ( 0.000 14.856 6.475) 16.206 6.681 ( 0.000 -1.416 -0.311) 1.450 6.681 ( 0.000 1.416 -0.311) 1.450 6.950 ( 0.000 -0.091 1.950) 1.952 6.950 ( 0.000 0.091 1.950) 1.952 7.038 ( 0.000 -3.579 -5.847) 6.855 7.038 ( 0.000 3.579 -5.847) 6.855 7.635 ( 0.000 -3.430 5.523) 6.501 7.635 ( 0.000 3.430 5.523) 6.501 7.772 ( 0.000 -2.539 -6.245) 6.742 7.772 ( 0.000 2.539 -6.245) 6.742 8.366 ( 0.000 -19.260 6.634) 20.370 8.366 ( 0.000 19.260 6.634) 20.370 8.544 ( 0.000 -19.592 -8.592) 21.393 8.544 ( 0.000 19.592 -8.592) 21.393 8.982 ( 0.000 -12.876 3.937) 13.465 8.982 ( 0.000 12.876 3.937) 13.465 9.046 ( 0.000 -9.309 -1.332) 9.403 9.046 ( 0.000 9.309 -1.332) 9.403 10.276 ( 0.000 -8.190 5.546) 9.891 10.276 ( 0.000 8.190 5.546) 9.891 10.408 ( 0.000 -4.269 -5.658) 7.088 10.408 ( 0.000 4.269 -5.658) 7.088 11.460 ( 0.000 -26.496 4.210) 26.829 11.460 ( 0.000 26.496 4.210) 26.829 11.543 ( 0.000 -25.271 -2.518) 25.397 11.543 ( 0.000 25.271 -2.518) 25.397 11.757 ( 0.000 -13.203 1.262) 13.263 11.757 ( 0.000 13.203 1.262) 13.263 11.830 ( 0.000 -10.104 -4.503) 11.062 11.830 ( 0.000 10.104 -4.503) 11.062 12.320 ( 0.000 -7.310 2.930) 7.875 12.320 ( 0.000 7.310 2.930) 7.875 12.385 ( 0.000 -7.084 -2.818) 7.624 12.385 ( 0.000 7.084 -2.818) 7.624 12.599 ( 0.000 -8.022 2.202) 8.318 12.599 ( 0.000 8.022 2.202) 8.318 12.644 ( 0.000 -4.784 -1.614) 5.049 12.644 ( 0.000 4.784 -1.614) 5.049 13.244 ( 0.000 -20.967 5.991) 21.806 13.244 ( 0.000 20.967 5.991) 21.806 13.373 ( 0.000 -21.503 -4.953) 22.066 13.373 ( 0.000 21.503 -4.953) 22.066 17.515 ( 0.000 -15.689 0.612) 15.701 17.515 ( 0.000 15.689 0.612) 15.701 17.529 ( 0.000 -14.812 -0.625) 14.825 17.529 ( 0.000 14.812 -0.625) 14.825 20.254 ( 0.000 -32.910 3.611) 33.107 20.254 ( 0.000 32.910 3.611) 33.107 20.336 ( 0.000 -30.928 -3.351) 31.109 20.336 ( 0.000 30.928 -3.351) 31.109 22.821 ( 0.000 -9.138 1.551) 9.268 22.821 ( 0.000 9.138 1.551) 9.268 22.862 ( 0.000 -5.742 -1.897) 6.047 22.862 ( 0.000 5.742 -1.897) 6.047 29.263 ( 0.000 -1.114 2.320) 2.574 29.263 ( 0.000 1.114 2.320) 2.574 29.318 ( 0.000 -2.156 -2.296) 3.150 29.318 ( 0.000 2.156 -2.296) 3.150 29.769 ( 0.000 -3.777 1.187) 3.959 29.769 ( 0.000 3.777 1.187) 3.959 29.822 ( 0.000 -4.417 -3.979) 5.945 29.822 ( 0.000 4.417 -3.979) 5.945 30.145 ( 0.000 -5.849 8.939) 10.682 30.145 ( 0.000 5.849 8.939) 10.682 30.310 ( 0.000 -9.967 -5.686) 11.475 30.310 ( 0.000 9.967 -5.686) 11.475 31.210 ( 0.000 -4.752 2.032) 5.168 31.210 ( 0.000 4.752 2.032) 5.168 31.274 ( 0.000 -5.168 -3.440) 6.208 31.274 ( 0.000 5.168 -3.440) 6.208 33.806 ( 0.000 -11.455 8.090) 14.024 33.806 ( 0.000 11.455 8.090) 14.024 33.985 ( 0.000 -16.583 -7.067) 18.026 33.985 ( 0.000 16.583 -7.067) 18.026 ======================= Grid point 146 (57/60) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 0.383 0.000 6.960) 6.970 2.361 ( 7.400 0.000 7.231) 10.347 2.398 ( -7.365 -0.000 -1.958) 7.621 2.521 ( 1.252 0.000 -8.184) 8.279 2.579 ( -10.440 -0.000 -13.594) 17.141 2.637 ( -6.960 0.000 -16.413) 17.828 2.945 ( -8.735 0.000 18.048) 20.050 3.155 ( 7.861 -0.000 4.325) 8.972 3.341 ( 0.041 -0.000 23.020) 23.020 3.386 ( -0.488 0.000 -10.108) 10.119 3.417 ( -0.359 -0.000 -2.277) 2.305 3.783 ( 0.087 0.000 -13.370) 13.371 4.249 ( -4.926 0.000 15.924) 16.669 4.364 ( 2.967 -0.000 10.668) 11.073 4.386 ( 4.020 0.000 3.184) 5.128 4.460 ( 4.463 -0.000 3.605) 5.737 4.568 ( -7.143 -0.000 -9.533) 11.912 4.701 ( 2.912 -0.000 -17.670) 17.908 4.782 ( 3.976 0.000 3.348) 5.198 4.883 ( 2.354 0.000 -3.609) 4.309 4.978 ( -4.850 -0.000 1.424) 5.055 5.102 ( -1.608 -0.000 -8.863) 9.008 5.185 ( 3.671 0.000 2.813) 4.625 5.242 ( 1.346 0.000 -0.207) 1.362 5.384 ( 5.216 -0.000 9.545) 10.878 5.495 ( 9.020 -0.000 5.597) 10.615 5.604 ( 7.859 0.000 -10.780) 13.340 5.653 ( 16.066 -0.000 -10.496) 19.190 6.072 ( -10.413 0.000 8.594) 13.502 6.119 ( -3.640 -0.000 4.658) 5.912 6.170 ( -4.991 -0.000 0.408) 5.007 6.236 ( -3.500 0.000 4.235) 5.494 6.412 ( -13.951 0.000 -7.889) 16.027 6.434 ( -4.569 -0.000 -5.438) 7.103 6.733 ( 1.584 -0.000 10.602) 10.720 6.866 ( -2.244 -0.000 -1.509) 2.705 6.893 ( -4.756 0.000 7.315) 8.725 6.920 ( 3.075 0.000 3.317) 4.523 7.040 ( 3.239 -0.000 -7.951) 8.586 7.104 ( 8.665 0.000 -10.432) 13.561 7.641 ( -2.096 0.000 4.832) 5.267 7.662 ( 5.820 -0.000 9.784) 11.384 7.746 ( -3.462 0.000 -5.130) 6.189 7.831 ( 3.582 -0.000 -4.251) 5.559 8.386 ( 3.181 -0.000 5.053) 5.971 8.423 ( 3.955 0.000 7.733) 8.686 8.548 ( 2.450 -0.000 -9.235) 9.554 8.609 ( 4.510 0.000 -8.065) 9.240 8.918 ( -3.703 -0.000 3.326) 4.977 9.005 ( -1.580 -0.000 -3.688) 4.012 9.018 ( 0.890 0.000 5.301) 5.375 9.093 ( 2.514 0.000 -1.093) 2.741 10.278 ( 0.684 0.000 5.782) 5.822 10.281 ( 0.316 -0.000 5.223) 5.232 10.402 ( -0.448 0.000 -5.256) 5.275 10.411 ( 0.381 0.000 -5.403) 5.416 11.462 ( 0.303 -0.001 3.112) 3.127 11.466 ( 0.263 0.001 2.970) 2.981 11.517 ( -2.360 0.001 -1.081) 2.596 11.519 ( -2.398 -0.001 -1.249) 2.704 11.704 ( -3.047 -0.000 0.566) 3.099 11.770 ( -0.469 0.000 3.191) 3.225 11.787 ( -1.891 -0.000 -6.050) 6.339 11.870 ( 1.676 0.000 -4.600) 4.896 12.287 ( -1.784 -0.000 2.235) 2.859 12.344 ( 0.370 0.000 4.059) 4.076 12.358 ( -1.129 0.000 -4.008) 4.164 12.421 ( 1.143 0.000 -2.534) 2.780 12.536 ( -4.412 -0.000 1.392) 4.626 12.577 ( -4.699 -0.000 -1.902) 5.069 12.602 ( -1.347 0.000 2.743) 3.056 12.641 ( -2.111 0.000 -0.415) 2.152 13.234 ( -0.248 0.000 5.668) 5.673 13.253 ( 0.448 -0.000 5.583) 5.601 13.362 ( -0.729 0.000 -5.020) 5.073 13.371 ( -0.322 -0.000 -4.474) 4.486 17.443 ( -6.649 -0.005 0.692) 6.685 17.443 ( -6.772 0.005 0.698) 6.807 17.459 ( -6.467 -0.002 -0.694) 6.504 17.459 ( -6.585 0.002 -0.682) 6.621 20.301 ( 4.622 0.000 3.213) 5.629 20.315 ( 5.296 -0.000 3.610) 6.409 20.379 ( 4.176 0.000 -3.422) 5.398 20.393 ( 4.862 -0.000 -3.035) 5.731 22.811 ( -0.039 -0.000 0.667) 0.668 22.841 ( -1.006 -0.000 -1.889) 2.140 22.843 ( 1.273 0.000 1.703) 2.126 22.876 ( 0.398 0.000 -1.006) 1.081 29.257 ( 0.429 -0.000 1.379) 1.444 29.297 ( 2.189 0.000 2.571) 3.377 29.301 ( -0.524 0.000 -2.341) 2.399 29.342 ( 1.105 -0.000 -1.205) 1.635 29.750 ( -0.812 -0.000 0.805) 1.144 29.795 ( 1.436 0.000 2.168) 2.601 29.808 ( 0.017 -0.000 -4.791) 4.791 29.856 ( 2.177 0.000 -3.739) 4.327 30.150 ( 0.884 0.000 8.193) 8.241 30.158 ( 1.006 -0.000 8.640) 8.698 30.307 ( 0.032 0.000 -5.640) 5.640 30.315 ( 0.110 -0.000 -5.286) 5.287 31.180 ( -2.721 0.000 1.842) 3.286 31.188 ( -2.349 -0.000 2.101) 3.152 31.240 ( -3.089 0.000 -3.283) 4.507 31.248 ( -2.754 -0.000 -3.016) 4.084 33.800 ( -0.296 0.000 7.317) 7.322 33.808 ( -0.011 -0.000 7.493) 7.493 33.965 ( -1.724 -0.000 -6.643) 6.863 33.972 ( -1.465 0.000 -6.418) 6.583 ======================= Grid point 148 (58/60) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 2.028 0.000 6.846) 7.141 2.360 ( 4.581 -0.000 0.223) 4.587 2.427 ( -3.012 0.000 -7.262) 7.862 2.492 ( 4.923 -0.000 2.648) 5.590 2.512 ( -2.260 -0.000 2.238) 3.181 2.665 ( 5.770 0.000 -23.305) 24.009 2.802 ( -3.113 0.000 16.848) 17.134 3.109 ( -7.985 -0.000 16.606) 18.426 3.256 ( -5.557 0.000 -18.415) 19.235 3.265 ( -7.344 0.000 19.493) 20.830 3.500 ( -2.608 0.000 -12.597) 12.864 3.672 ( -10.349 0.000 -14.627) 17.918 4.170 ( -2.405 0.000 10.057) 10.341 4.427 ( -4.737 0.000 -11.146) 12.111 4.441 ( 3.004 -0.000 11.277) 11.670 4.570 ( 14.152 -0.000 8.409) 16.462 4.574 ( 6.224 0.000 0.698) 6.263 4.789 ( -1.650 0.000 6.173) 6.390 4.871 ( -1.161 -0.000 -2.184) 2.473 4.896 ( 3.110 0.000 -6.380) 7.098 4.930 ( 9.586 0.000 -3.670) 10.264 5.084 ( -0.682 -0.000 -9.076) 9.102 5.219 ( -2.596 0.000 0.435) 2.632 5.226 ( -0.172 0.000 1.560) 1.570 5.526 ( 8.779 -0.000 9.845) 13.191 5.736 ( 2.130 -0.000 4.037) 4.564 5.760 ( 7.188 0.000 -11.172) 13.285 5.840 ( -3.800 -0.000 -5.696) 6.848 5.916 ( 8.281 -0.000 10.166) 13.112 6.050 ( -3.041 -0.000 5.601) 6.373 6.101 ( -1.812 -0.000 1.340) 2.254 6.200 ( 3.702 0.000 -10.081) 10.739 6.212 ( -3.529 0.000 6.143) 7.085 6.397 ( -1.758 0.000 -6.592) 6.822 6.506 ( -16.018 0.000 4.354) 16.599 6.619 ( -16.934 0.000 -4.526) 17.528 7.011 ( 5.739 0.000 6.801) 8.899 7.019 ( 9.527 -0.000 12.743) 15.911 7.222 ( 14.416 -0.000 -12.796) 19.275 7.307 ( 9.710 0.000 -12.122) 15.531 7.545 ( -7.283 0.000 1.703) 7.479 7.620 ( -8.800 0.000 -5.406) 10.328 7.798 ( 2.513 0.000 7.462) 7.874 7.843 ( 0.169 0.000 2.839) 2.844 8.437 ( 0.974 -0.000 6.526) 6.598 8.494 ( 2.873 0.000 9.259) 9.695 8.640 ( 4.976 -0.000 -10.625) 11.732 8.690 ( 2.736 -0.000 -7.448) 7.935 8.862 ( -0.229 0.000 4.949) 4.955 9.006 ( 1.937 -0.000 -6.714) 6.988 9.029 ( 0.883 0.000 6.434) 6.494 9.130 ( 0.915 0.000 -2.457) 2.622 10.298 ( 1.703 0.000 4.348) 4.670 10.312 ( 2.711 0.000 5.565) 6.191 10.399 ( 0.413 0.000 -4.528) 4.547 10.430 ( 1.462 -0.000 -4.277) 4.520 11.451 ( -2.081 0.001 1.062) 2.336 11.453 ( -2.174 -0.000 0.606) 2.257 11.468 ( -2.116 -0.000 -0.109) 2.119 11.474 ( -1.513 -0.000 -0.170) 1.523 11.659 ( -1.061 0.000 1.746) 2.043 11.756 ( -0.479 0.000 5.482) 5.503 11.761 ( -0.904 -0.000 -6.628) 6.689 11.888 ( -0.213 -0.000 -4.791) 4.795 12.244 ( -2.664 -0.000 1.940) 3.295 12.323 ( -2.850 -1.984 -3.922) 5.238 12.323 ( -2.629 1.984 3.574) 4.860 12.401 ( -3.434 0.000 -2.532) 4.267 12.443 ( -4.609 0.000 0.837) 4.684 12.483 ( -4.244 -0.000 -1.907) 4.653 12.560 ( -2.958 0.000 1.974) 3.556 12.570 ( -4.592 0.000 1.572) 4.853 13.240 ( 0.889 0.000 4.749) 4.832 13.264 ( 0.732 -0.000 4.842) 4.897 13.352 ( -0.112 0.000 -4.571) 4.573 13.366 ( -0.073 -0.000 -3.854) 3.855 17.292 ( -7.764 -0.000 0.774) 7.803 17.295 ( -7.563 0.000 0.872) 7.613 17.311 ( -7.740 0.000 -0.855) 7.787 17.314 ( -7.546 -0.000 -0.753) 7.584 20.404 ( 5.289 0.000 2.425) 5.818 20.427 ( 5.451 -0.000 3.078) 6.260 20.468 ( 4.296 0.000 -3.000) 5.240 20.491 ( 4.444 -0.000 -2.358) 5.031 22.823 ( 1.198 -0.000 -0.311) 1.238 22.832 ( 0.364 -0.000 -1.138) 1.195 22.869 ( 1.167 0.000 1.111) 1.612 22.881 ( 0.263 0.000 0.099) 0.281 29.276 ( 1.382 0.000 0.254) 1.405 29.299 ( 0.350 0.000 -1.619) 1.657 29.338 ( 1.600 0.000 1.841) 2.439 29.356 ( 0.370 -0.000 0.214) 0.428 29.742 ( 0.158 -0.000 1.585) 1.593 29.821 ( 1.106 0.000 3.632) 3.797 29.828 ( 2.074 -0.000 -6.028) 6.375 29.903 ( 2.484 0.000 -3.915) 4.637 30.178 ( 1.847 0.000 6.725) 6.974 30.183 ( 1.498 -0.000 6.934) 7.094 30.310 ( 0.159 0.000 -4.825) 4.828 30.311 ( -0.594 -0.000 -4.528) 4.567 31.113 ( -3.852 0.000 1.633) 4.183 31.126 ( -3.779 -0.000 1.962) 4.258 31.164 ( -4.379 0.000 -2.655) 5.121 31.175 ( -4.403 -0.000 -2.239) 4.940 33.796 ( -0.024 0.000 5.448) 5.448 33.806 ( -0.077 -0.000 5.685) 5.686 33.922 ( -2.556 -0.000 -5.170) 5.767 33.931 ( -2.594 0.000 -4.879) 5.526 ======================= Grid point 150 (59/60) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 8.235 0.000 6.679) 10.603 2.452 ( 5.059 0.000 -2.458) 5.624 2.485 ( 0.416 0.000 7.272) 7.283 2.500 ( 8.126 -0.000 0.883) 8.174 2.543 ( 0.991 -0.000 0.970) 1.387 2.764 ( -4.075 0.000 8.115) 9.081 2.812 ( 8.587 0.000 -20.616) 22.333 3.001 ( -2.241 -0.000 16.234) 16.388 3.095 ( -8.680 0.000 14.919) 17.260 3.115 ( -7.965 -0.000 -17.378) 19.116 3.377 ( -7.491 -0.000 -14.616) 16.424 3.440 ( -11.766 0.000 -14.262) 18.489 4.149 ( 0.538 0.000 12.018) 12.030 4.385 ( -7.964 0.000 16.938) 18.716 4.428 ( 4.517 -0.000 -12.765) 13.540 4.631 ( -1.439 -0.000 -4.071) 4.318 4.836 ( 7.995 -0.000 7.985) 11.299 4.837 ( 5.469 0.000 3.015) 6.245 4.870 ( 1.008 0.000 5.671) 5.760 4.881 ( 2.063 -0.000 0.624) 2.155 5.062 ( 1.867 -0.000 -3.378) 3.859 5.166 ( -1.155 0.000 -2.838) 3.064 5.196 ( 8.247 -0.000 -12.272) 14.786 5.201 ( -2.455 0.000 -2.206) 3.300 5.584 ( -6.506 0.000 5.988) 8.842 5.687 ( 4.553 -0.000 6.786) 8.171 5.769 ( -1.049 0.000 -8.560) 8.624 5.803 ( -3.508 -0.000 -0.189) 3.513 5.999 ( -1.838 0.000 2.351) 2.984 6.113 ( -2.191 0.000 12.306) 12.500 6.129 ( 6.070 0.000 -3.987) 7.262 6.225 ( 6.932 0.000 4.907) 8.493 6.274 ( -9.426 0.000 -0.154) 9.427 6.327 ( -3.464 0.000 -6.823) 7.652 6.360 ( -3.124 -0.000 -4.717) 5.658 6.367 ( 7.564 0.000 -6.511) 9.980 7.167 ( 10.243 -0.000 15.561) 18.630 7.175 ( 5.665 0.000 12.143) 13.400 7.362 ( -8.474 0.000 1.103) 8.546 7.434 ( 2.714 0.000 -9.970) 10.333 7.439 ( -2.119 -0.000 -5.970) 6.335 7.571 ( 12.322 -0.000 -18.951) 22.605 7.663 ( -11.297 0.000 11.453) 16.086 7.889 ( -0.324 0.000 -7.418) 7.425 8.442 ( 0.524 0.000 9.571) 9.585 8.518 ( -0.708 0.000 10.094) 10.119 8.655 ( -1.538 0.000 -6.444) 6.625 8.692 ( -2.026 -0.000 -4.272) 4.728 8.956 ( 7.376 -0.000 2.320) 7.733 9.065 ( 3.253 0.000 -5.386) 6.292 9.067 ( 2.563 -0.000 2.806) 3.801 9.125 ( -1.320 0.000 -2.339) 2.686 10.345 ( 2.762 0.000 3.185) 4.216 10.366 ( 2.321 0.000 4.449) 5.018 10.420 ( 1.580 0.000 -3.483) 3.825 10.456 ( 0.784 0.000 -3.037) 3.137 11.410 ( -1.486 0.001 0.601) 1.603 11.412 ( -1.357 -0.000 0.947) 1.655 11.433 ( -1.471 0.000 -1.324) 1.979 11.442 ( -1.617 -0.000 -1.424) 2.155 11.668 ( 1.668 0.000 2.312) 2.851 11.749 ( -0.851 -0.000 5.128) 5.198 11.752 ( 0.165 0.000 -4.826) 4.828 11.852 ( -3.389 -0.000 -3.151) 4.628 12.197 ( -1.426 -0.000 1.433) 2.022 12.256 ( -3.132 -0.001 -3.344) 4.581 12.257 ( -3.459 0.001 2.863) 4.490 12.309 ( -5.156 0.000 -1.530) 5.378 12.381 ( -1.451 -0.000 1.490) 2.080 12.432 ( -0.896 -0.000 -2.715) 2.859 12.464 ( -5.123 0.000 3.060) 5.967 12.506 ( -3.239 0.000 -0.566) 3.288 13.264 ( 1.300 0.000 4.000) 4.206 13.279 ( 0.606 -0.000 4.143) 4.187 13.357 ( 0.541 0.000 -3.859) 3.897 13.367 ( 0.133 -0.000 -3.400) 3.402 17.171 ( -4.247 0.000 0.608) 4.291 17.176 ( -4.364 -0.000 0.737) 4.426 17.187 ( -4.582 0.000 -0.734) 4.640 17.191 ( -4.693 -0.000 -0.601) 4.731 20.489 ( 3.230 0.000 1.614) 3.611 20.507 ( 2.566 -0.000 2.108) 3.320 20.533 ( 2.269 0.000 -2.089) 3.084 20.550 ( 1.588 -0.000 -1.583) 2.242 22.845 ( 1.227 -0.000 0.159) 1.237 22.860 ( 1.895 -0.000 -1.105) 2.193 22.878 ( -0.121 0.000 1.054) 1.061 22.892 ( 0.528 0.000 -0.177) 0.557 29.301 ( 1.026 0.000 0.187) 1.043 29.319 ( 1.635 0.000 -1.388) 2.145 29.341 ( -0.799 0.000 1.469) 1.673 29.364 ( 0.059 0.000 -0.408) 0.412 29.760 ( 1.736 -0.000 3.732) 4.116 29.828 ( -0.545 0.000 5.212) 5.240 29.883 ( 3.278 -0.000 -6.844) 7.588 29.942 ( 1.176 0.000 -4.858) 4.999 30.214 ( 1.728 -0.000 4.786) 5.088 30.217 ( 1.849 0.000 4.189) 4.579 30.294 ( -0.879 0.000 -2.992) 3.119 30.308 ( -0.512 -0.000 -3.260) 3.300 31.045 ( -2.744 0.000 1.508) 3.132 31.055 ( -3.116 -0.000 1.701) 3.550 31.086 ( -3.159 0.000 -1.931) 3.702 31.094 ( -3.500 -0.000 -1.596) 3.847 33.802 ( 0.656 0.000 3.016) 3.087 33.808 ( 0.373 -0.000 3.173) 3.195 33.873 ( -2.341 -0.000 -2.944) 3.761 33.878 ( -2.602 0.000 -2.756) 3.790 ======================= Grid point 152 (60/60) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -4.221 0.000 5.255) 6.740 2.472 ( 4.221 0.000 5.255) 6.740 2.540 ( -1.802 0.001 1.752) 2.513 2.540 ( 1.802 0.000 1.752) 2.513 2.648 ( -6.798 0.000 5.303) 8.622 2.648 ( 6.799 -0.000 5.303) 8.622 2.969 ( -7.206 0.001 -17.133) 18.587 2.969 ( 7.206 -0.001 -17.131) 18.585 2.990 ( -1.254 -0.001 11.010) 11.082 2.990 ( 1.255 0.001 11.012) 11.083 3.296 ( -1.264 0.000 -14.104) 14.160 3.296 ( 1.264 0.000 -14.104) 14.160 4.222 ( -7.046 0.000 17.720) 19.070 4.222 ( 7.046 0.000 17.720) 19.070 4.547 ( -6.243 -0.000 -11.017) 12.663 4.547 ( 6.243 0.000 -11.017) 12.663 4.880 ( -1.500 -0.000 1.192) 1.917 4.880 ( 1.500 0.000 1.192) 1.917 4.905 ( -0.262 0.000 0.826) 0.866 4.905 ( 0.262 0.000 0.826) 0.866 5.126 ( -2.274 0.000 1.183) 2.563 5.126 ( 2.274 0.000 1.183) 2.563 5.235 ( -3.035 0.000 -6.017) 6.739 5.235 ( 3.035 0.000 -6.017) 6.739 5.585 ( -6.088 0.000 10.505) 12.141 5.585 ( 6.088 0.000 10.505) 12.141 5.798 ( -2.339 0.000 -6.942) 7.325 5.798 ( 2.339 0.000 -6.942) 7.325 6.013 ( -5.059 0.000 7.365) 8.935 6.013 ( 5.059 -0.000 7.365) 8.935 6.183 ( -3.874 0.000 -3.250) 5.057 6.183 ( 3.874 -0.000 -3.250) 5.057 6.315 ( -4.275 0.000 -1.100) 4.414 6.315 ( 4.275 0.000 -1.100) 4.414 6.401 ( -3.716 -0.000 -5.946) 7.011 6.401 ( 3.716 0.000 -5.946) 7.012 7.242 ( -2.911 0.000 7.425) 7.975 7.242 ( 2.911 0.000 7.425) 7.975 7.393 ( -10.712 0.000 6.924) 12.755 7.393 ( 10.712 0.000 6.924) 12.755 7.448 ( -4.578 -0.000 1.375) 4.780 7.448 ( 4.579 0.000 1.375) 4.781 7.802 ( -8.745 0.000 -16.763) 18.907 7.802 ( 8.745 0.000 -16.763) 18.907 8.476 ( -2.746 0.000 10.063) 10.431 8.476 ( 2.746 0.000 10.063) 10.431 8.650 ( -1.417 0.000 -3.632) 3.899 8.650 ( 1.417 0.000 -3.632) 3.899 9.071 ( -3.839 0.000 0.261) 3.848 9.071 ( 3.839 -0.000 0.261) 3.848 9.102 ( -0.267 0.000 -2.101) 2.117 9.102 ( 0.267 -0.000 -2.101) 2.117 10.384 ( -0.715 0.000 3.114) 3.195 10.384 ( 0.715 0.000 3.114) 3.195 10.450 ( -1.226 0.000 -2.602) 2.876 10.450 ( 1.226 0.000 -2.602) 2.876 11.399 ( -0.123 -0.000 0.441) 0.458 11.399 ( 0.123 -0.000 0.441) 0.458 11.421 ( -0.366 0.000 -1.409) 1.456 11.421 ( 0.367 0.000 -1.409) 1.456 11.712 ( -2.565 0.000 2.943) 3.904 11.712 ( 2.565 0.000 2.943) 3.905 11.781 ( -3.023 0.000 -2.773) 4.103 11.781 ( 3.023 0.000 -2.773) 4.103 12.207 ( -1.914 0.000 1.206) 2.262 12.207 ( 1.914 -0.000 1.206) 2.262 12.233 ( -1.523 0.000 -0.911) 1.775 12.233 ( 1.523 -0.000 -0.911) 1.775 12.389 ( -2.251 0.000 2.498) 3.362 12.389 ( 2.251 -0.000 2.498) 3.362 12.448 ( -2.304 -0.000 -2.494) 3.395 12.448 ( 2.304 0.000 -2.494) 3.395 13.282 ( -0.425 0.000 3.806) 3.829 13.282 ( 0.425 0.000 3.806) 3.829 13.367 ( -0.290 0.000 -3.379) 3.391 13.367 ( 0.290 0.000 -3.379) 3.391 17.132 ( -0.153 0.000 0.460) 0.485 17.132 ( 0.153 0.000 0.460) 0.485 17.143 ( -0.153 -0.000 -0.463) 0.488 17.143 ( 0.153 0.000 -0.463) 0.488 20.526 ( -0.527 0.000 1.400) 1.496 20.526 ( 0.527 0.000 1.400) 1.496 20.559 ( -0.511 0.000 -1.384) 1.476 20.559 ( 0.511 0.000 -1.384) 1.476 22.868 ( -0.923 0.000 0.913) 1.299 22.868 ( 0.923 0.000 0.913) 1.299 22.889 ( -0.900 0.000 -0.923) 1.289 22.889 ( 0.900 0.000 -0.923) 1.289 29.321 ( -1.111 0.000 1.060) 1.535 29.321 ( 1.111 0.000 1.060) 1.535 29.350 ( -1.371 -0.000 -1.454) 1.999 29.350 ( 1.371 0.000 -1.454) 1.999 29.801 ( -2.087 -0.000 5.431) 5.818 29.801 ( 2.087 0.000 5.431) 5.818 29.937 ( -1.793 -0.000 -6.371) 6.619 29.937 ( 1.793 0.000 -6.371) 6.619 30.237 ( -0.257 -0.000 2.982) 2.993 30.237 ( 0.257 0.000 2.982) 2.993 30.291 ( -0.795 0.000 -1.818) 1.984 30.291 ( 0.795 -0.000 -1.818) 1.984 31.019 ( -0.302 0.000 1.529) 1.558 31.019 ( 0.302 0.000 1.529) 1.558 31.055 ( -0.207 0.000 -1.497) 1.512 31.055 ( 0.207 0.000 -1.497) 1.512 33.817 ( -0.183 0.000 1.183) 1.197 33.817 ( 0.183 -0.000 1.183) 1.197 33.843 ( -0.158 0.000 -1.052) 1.064 33.843 ( 0.158 -0.000 -1.052) 1.064 =================== 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 3/25920 10.0 505.166 387.594 290.918 0.000 0.000 0.000 3/25920 20.0 113.157 133.811 89.390 0.000 0.000 0.000 3/25920 30.0 51.189 58.048 41.366 0.000 0.000 0.000 3/25920 40.0 29.961 32.212 24.607 0.000 0.000 0.000 3/25920 50.0 20.323 20.990 16.814 0.000 0.000 0.000 3/25920 60.0 15.094 15.170 12.502 0.000 0.000 0.000 3/25920 70.0 11.902 11.753 9.836 0.000 0.000 0.000 3/25920 80.0 9.787 9.562 8.055 0.000 0.000 0.000 3/25920 90.0 8.300 8.065 6.796 0.000 0.000 0.000 3/25920 100.0 7.206 6.992 5.866 0.000 0.000 0.000 3/25920 110.0 6.373 6.196 5.156 0.000 0.000 0.000 3/25920 120.0 5.722 5.587 4.597 0.000 0.000 0.000 3/25920 130.0 5.201 5.108 4.148 0.000 0.000 0.000 3/25920 140.0 4.775 4.725 3.779 0.000 0.000 0.000 3/25920 150.0 4.423 4.411 3.472 0.000 0.000 0.000 3/25920 160.0 4.126 4.150 3.212 0.000 0.000 0.000 3/25920 170.0 3.873 3.929 2.990 0.000 0.000 0.000 3/25920 180.0 3.656 3.739 2.797 0.000 0.000 0.000 3/25920 190.0 3.466 3.574 2.630 0.000 0.000 0.000 3/25920 200.0 3.299 3.429 2.482 0.000 0.000 0.000 3/25920 210.0 3.151 3.300 2.352 0.000 0.000 0.000 3/25920 220.0 3.019 3.184 2.235 0.000 0.000 0.000 3/25920 230.0 2.900 3.079 2.131 0.000 0.000 0.000 3/25920 240.0 2.793 2.983 2.037 0.000 0.000 0.000 3/25920 250.0 2.695 2.895 1.952 0.000 0.000 0.000 3/25920 260.0 2.605 2.814 1.874 0.000 0.000 0.000 3/25920 270.0 2.522 2.738 1.804 0.000 0.000 0.000 3/25920 280.0 2.446 2.668 1.739 0.000 0.000 0.000 3/25920 290.0 2.375 2.602 1.679 0.000 0.000 0.000 3/25920 300.0 2.309 2.540 1.624 0.000 0.000 0.000 3/25920 310.0 2.248 2.482 1.573 0.000 0.000 0.000 3/25920 320.0 2.190 2.426 1.525 0.000 0.000 0.000 3/25920 330.0 2.135 2.374 1.481 0.000 0.000 0.000 3/25920 340.0 2.084 2.324 1.440 0.000 0.000 0.000 3/25920 350.0 2.035 2.276 1.401 0.000 0.000 0.000 3/25920 360.0 1.989 2.231 1.365 0.000 0.000 0.000 3/25920 370.0 1.946 2.187 1.330 0.000 0.000 0.000 3/25920 380.0 1.904 2.145 1.298 0.000 0.000 0.000 3/25920 390.0 1.864 2.105 1.268 0.000 0.000 0.000 3/25920 400.0 1.826 2.067 1.239 0.000 0.000 0.000 3/25920 410.0 1.790 2.030 1.211 0.000 0.000 0.000 3/25920 420.0 1.756 1.994 1.185 0.000 0.000 0.000 3/25920 430.0 1.722 1.959 1.160 0.000 0.000 0.000 3/25920 440.0 1.690 1.926 1.136 0.000 0.000 0.000 3/25920 450.0 1.660 1.894 1.113 0.000 0.000 0.000 3/25920 460.0 1.630 1.862 1.092 0.000 0.000 0.000 3/25920 470.0 1.602 1.832 1.071 0.000 0.000 0.000 3/25920 480.0 1.574 1.803 1.051 0.000 0.000 0.000 3/25920 490.0 1.548 1.775 1.032 0.000 0.000 0.000 3/25920 500.0 1.522 1.747 1.013 0.000 0.000 0.000 3/25920 510.0 1.497 1.721 0.995 0.000 0.000 0.000 3/25920 520.0 1.473 1.695 0.978 0.000 0.000 0.000 3/25920 530.0 1.450 1.669 0.962 0.000 0.000 0.000 3/25920 540.0 1.428 1.645 0.946 0.000 0.000 0.000 3/25920 550.0 1.406 1.621 0.931 0.000 0.000 0.000 3/25920 560.0 1.385 1.598 0.916 0.000 0.000 0.000 3/25920 570.0 1.364 1.576 0.901 0.000 0.000 0.000 3/25920 580.0 1.344 1.554 0.887 0.000 0.000 0.000 3/25920 590.0 1.325 1.532 0.874 0.000 0.000 0.000 3/25920 600.0 1.306 1.511 0.861 0.000 0.000 0.000 3/25920 610.0 1.288 1.491 0.848 0.000 0.000 0.000 3/25920 620.0 1.270 1.471 0.836 0.000 0.000 0.000 3/25920 630.0 1.253 1.452 0.824 0.000 0.000 0.000 3/25920 640.0 1.236 1.433 0.813 0.000 0.000 0.000 3/25920 650.0 1.219 1.415 0.801 0.000 0.000 0.000 3/25920 660.0 1.203 1.397 0.790 0.000 0.000 0.000 3/25920 670.0 1.188 1.379 0.780 0.000 0.000 0.000 3/25920 680.0 1.173 1.362 0.769 0.000 0.000 0.000 3/25920 690.0 1.158 1.346 0.759 0.000 0.000 0.000 3/25920 700.0 1.143 1.329 0.749 0.000 0.000 0.000 3/25920 710.0 1.129 1.313 0.740 0.000 0.000 0.000 3/25920 720.0 1.115 1.298 0.730 0.000 0.000 0.000 3/25920 730.0 1.102 1.283 0.721 0.000 0.000 0.000 3/25920 740.0 1.089 1.268 0.713 0.000 0.000 0.000 3/25920 750.0 1.076 1.253 0.704 0.000 0.000 0.000 3/25920 760.0 1.063 1.239 0.695 0.000 0.000 0.000 3/25920 770.0 1.051 1.225 0.687 0.000 0.000 0.000 3/25920 780.0 1.039 1.211 0.679 0.000 0.000 0.000 3/25920 790.0 1.027 1.198 0.671 0.000 0.000 0.000 3/25920 800.0 1.016 1.185 0.664 0.000 0.000 0.000 3/25920 810.0 1.005 1.172 0.656 0.000 0.000 0.000 3/25920 820.0 0.994 1.159 0.649 0.000 0.000 0.000 3/25920 830.0 0.983 1.147 0.641 0.000 0.000 0.000 3/25920 840.0 0.972 1.135 0.634 0.000 0.000 0.000 3/25920 850.0 0.962 1.123 0.628 0.000 0.000 0.000 3/25920 860.0 0.952 1.112 0.621 0.000 0.000 0.000 3/25920 870.0 0.942 1.100 0.614 0.000 0.000 0.000 3/25920 880.0 0.932 1.089 0.608 0.000 0.000 0.000 3/25920 890.0 0.923 1.078 0.601 0.000 0.000 0.000 3/25920 900.0 0.913 1.067 0.595 0.000 0.000 0.000 3/25920 910.0 0.904 1.057 0.589 0.000 0.000 0.000 3/25920 920.0 0.895 1.047 0.583 0.000 0.000 0.000 3/25920 930.0 0.886 1.037 0.577 0.000 0.000 0.000 3/25920 940.0 0.878 1.027 0.572 0.000 0.000 0.000 3/25920 950.0 0.869 1.017 0.566 0.000 0.000 0.000 3/25920 960.0 0.861 1.007 0.561 0.000 0.000 0.000 3/25920 970.0 0.853 0.998 0.555 0.000 0.000 0.000 3/25920 980.0 0.845 0.989 0.550 0.000 0.000 0.000 3/25920 990.0 0.837 0.979 0.545 0.000 0.000 0.000 3/25920 1000.0 0.829 0.971 0.540 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m8103.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:54:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|